smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164642315 719168282 /nfs/dbraw/zinc/16/82/82/719168282.db2.gz XJDBMFKOCUGGMF-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c2cccc(O)c2n1 ZINC001228832556 806347636 /nfs/dbraw/zinc/34/76/36/806347636.db2.gz JJKLPHYQVRGSAJ-JTQLQIEISA-O 1 0 276.360 2.117 20 5 CEBDRO [NH3+]Cc1cnn(-c2ncnc3cc4ccccc4cc32)c1 ZINC001168258294 806448399 /nfs/dbraw/zinc/44/83/99/806448399.db2.gz MSPFNVVJWKVQLE-UHFFFAOYSA-N 1 0 275.315 2.427 20 5 CEBDRO COC(=O)[C@@H](Cc1ccc(F)cc1)OCCC[N+](C)(C)C ZINC001224620393 806868761 /nfs/dbraw/zinc/86/87/61/806868761.db2.gz XZIIUXYVOZAEIA-OAHLLOKOSA-N 1 0 298.378 2.023 20 5 CEBDRO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000722592839 802325030 /nfs/dbraw/zinc/32/50/30/802325030.db2.gz DKODUYWDEUBEKO-GHMZBOCLSA-N 1 0 277.324 2.087 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217970290 803520516 /nfs/dbraw/zinc/52/05/16/803520516.db2.gz KMYBJEDQCQMODI-LBPRGKRZSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cc(C)c(-n2ccc(C[NH3+])cc2=N)c(C)c1[N+](=O)[O-] ZINC001167690669 803523410 /nfs/dbraw/zinc/52/34/10/803523410.db2.gz SHVXCZXVBXQKTC-UHFFFAOYSA-N 1 0 286.335 2.249 20 5 CEBDRO Cc1cc(Cl)c(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167731968 803696252 /nfs/dbraw/zinc/69/62/52/803696252.db2.gz GHSZFELJVKLEQF-UHFFFAOYSA-N 1 0 280.715 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC(C)(C)[NH3+])c1C ZINC001119314972 815089869 /nfs/dbraw/zinc/08/98/69/815089869.db2.gz ZQEFEZMXBBZSSC-UHFFFAOYSA-N 1 0 279.340 2.069 20 5 CEBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764575 807466614 /nfs/dbraw/zinc/46/66/14/807466614.db2.gz HRHIMXQLAGGPQN-QMMMGPOBSA-N 1 0 272.251 2.346 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1COC1 ZINC001173235396 815634523 /nfs/dbraw/zinc/63/45/23/815634523.db2.gz WPSRBIKAIBBIMK-LLVKDONJSA-N 1 0 264.325 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716730200 815144177 /nfs/dbraw/zinc/14/41/77/815144177.db2.gz JWRSUNAICDBPPX-SNVBAGLBSA-N 1 0 294.685 2.354 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000699837053 807866131 /nfs/dbraw/zinc/86/61/31/807866131.db2.gz OAFXLSCSJVUJHP-OUJBWJOFSA-N 1 0 250.298 2.280 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833078 807866181 /nfs/dbraw/zinc/86/61/81/807866181.db2.gz FIZMFOPWNANOGP-NWDGAFQWSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1nc(C)c(CN2CCc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC001119757285 815157150 /nfs/dbraw/zinc/15/71/50/815157150.db2.gz ABSNMWCSDXKZMV-UHFFFAOYSA-N 1 0 286.335 2.493 20 5 CEBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000690277375 808032975 /nfs/dbraw/zinc/03/29/75/808032975.db2.gz UQWHAANOTXVKRU-CYBMUJFWSA-N 1 0 284.743 2.451 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001120072933 815196460 /nfs/dbraw/zinc/19/64/60/815196460.db2.gz TUNXAQSZGZIWRH-GARJFASQSA-N 1 0 296.396 2.218 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587237 808735252 /nfs/dbraw/zinc/73/52/52/808735252.db2.gz QQXNBEBYSWEEHD-WDEREUQCSA-N 1 0 252.318 2.259 20 5 CEBDRO CC(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171792475 815236588 /nfs/dbraw/zinc/23/65/88/815236588.db2.gz HIWMZHTWTUDOOD-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001120727621 815264340 /nfs/dbraw/zinc/26/43/40/815264340.db2.gz XWWNBQGECJQHAQ-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001120727132 815264373 /nfs/dbraw/zinc/26/43/73/815264373.db2.gz QXOLMAXPPMUANP-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000700608542 809331492 /nfs/dbraw/zinc/33/14/92/809331492.db2.gz JTZVEHIWJIRVTO-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627549 809333498 /nfs/dbraw/zinc/33/34/98/809333498.db2.gz CYQKYKMETYOJKY-SNVBAGLBSA-N 1 0 297.742 2.202 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627811 809334012 /nfs/dbraw/zinc/33/40/12/809334012.db2.gz QCHIONJALJRWNH-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701051282 809383914 /nfs/dbraw/zinc/38/39/14/809383914.db2.gz NMOAVAWPROLPQG-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702044071 809490805 /nfs/dbraw/zinc/49/08/05/809490805.db2.gz BIXSJGPGNLEDDL-WCBMZHEXSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[NH+](CC)CC[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001121020730 815306285 /nfs/dbraw/zinc/30/62/85/815306285.db2.gz UUYLNORIFIAJHH-SNVBAGLBSA-N 1 0 283.376 2.169 20 5 CEBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000709492157 809962169 /nfs/dbraw/zinc/96/21/69/809962169.db2.gz NRYZKPKSGGNKMM-VIFPVBQESA-N 1 0 268.288 2.079 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000709871499 809974269 /nfs/dbraw/zinc/97/42/69/809974269.db2.gz QKPZFYQSEJBMSS-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccns2)c1 ZINC000710007932 809978520 /nfs/dbraw/zinc/97/85/20/809978520.db2.gz BCOIUGNZDXVCIG-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969224 810008932 /nfs/dbraw/zinc/00/89/32/810008932.db2.gz WOATXAFJMQSKOR-ZWNOBZJWSA-N 1 0 280.324 2.397 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000711424107 810069627 /nfs/dbraw/zinc/06/96/27/810069627.db2.gz HJRHCHYCVHRYKI-CYBMUJFWSA-N 1 0 280.324 2.144 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155558643 811084966 /nfs/dbraw/zinc/08/49/66/811084966.db2.gz FWLGMEWBCMMLQH-VIFPVBQESA-N 1 0 294.311 2.447 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(N)c1 ZINC001168984674 811311589 /nfs/dbraw/zinc/31/15/89/811311589.db2.gz PUOYGMWFVXRZBE-COPLHBTASA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001168958786 811312408 /nfs/dbraw/zinc/31/24/08/811312408.db2.gz PPOKUPGDZNRQER-WCQYABFASA-N 1 0 252.289 2.361 20 5 CEBDRO COc1ccccc1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959566 811314869 /nfs/dbraw/zinc/31/48/69/811314869.db2.gz WTWIBKXLLPJROH-OCCSQVGLSA-N 1 0 278.352 2.273 20 5 CEBDRO COC(=O)CCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961852 811316115 /nfs/dbraw/zinc/31/61/15/811316115.db2.gz KGNDJVNPINJXAP-STQMWFEESA-N 1 0 286.372 2.145 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC001169002677 811328743 /nfs/dbraw/zinc/32/87/43/811328743.db2.gz LUUKMDPOPOCUQS-RYUDHWBXSA-N 1 0 258.387 2.165 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168967136 811319394 /nfs/dbraw/zinc/31/93/94/811319394.db2.gz NQCUQPBJBAZUDZ-GMXVVIOVSA-N 1 0 264.325 2.488 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncccc2Cl)C1 ZINC001168969052 811320373 /nfs/dbraw/zinc/32/03/73/811320373.db2.gz BSGBNKCTSWSUAE-UWVGGRQHSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccsc2)C1 ZINC001168968531 811320583 /nfs/dbraw/zinc/32/05/83/811320583.db2.gz ZYHMPQSTVJYBPB-NEPJUHHUSA-N 1 0 254.355 2.326 20 5 CEBDRO CC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969529 811320602 /nfs/dbraw/zinc/32/06/02/811320602.db2.gz FEAVULIGNJXEAO-YUELXQCFSA-N 1 0 276.336 2.352 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncccc2Cl)C1 ZINC001168969053 811320763 /nfs/dbraw/zinc/32/07/63/811320763.db2.gz BSGBNKCTSWSUAE-VHSXEESVSA-N 1 0 269.732 2.270 20 5 CEBDRO Cn1cc2cccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)c2n1 ZINC001168975660 811322862 /nfs/dbraw/zinc/32/28/62/811322862.db2.gz WQXWDLYNOVFRRY-FZMZJTMJSA-N 1 0 288.351 2.108 20 5 CEBDRO CC(C)(Cc1ccccn1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998214 811326842 /nfs/dbraw/zinc/32/68/42/811326842.db2.gz JUHMSPKKJLKTJX-STQMWFEESA-N 1 0 277.368 2.438 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)C1 ZINC001169001142 811328060 /nfs/dbraw/zinc/32/80/60/811328060.db2.gz CTVGOIGKQNBZJE-VCTAVGKDSA-N 1 0 278.327 2.328 20 5 CEBDRO Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005772 811329775 /nfs/dbraw/zinc/32/97/75/811329775.db2.gz CYACXTCLFAHXRY-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001169003598 811331129 /nfs/dbraw/zinc/33/11/29/811331129.db2.gz ONGCUZCQZASSLM-AEGPPILISA-N 1 0 278.352 2.145 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cc(Cl)ccn2)C1 ZINC001169005448 811331248 /nfs/dbraw/zinc/33/12/48/811331248.db2.gz UMIJESLKZBCUJK-JQWIXIFHSA-N 1 0 299.758 2.149 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(O)cc3C2)C1 ZINC001168986885 811336400 /nfs/dbraw/zinc/33/64/00/811336400.db2.gz FWOCLKLPPJEXBA-DFBGVHRSSA-N 1 0 290.363 2.285 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ocnc3c2)C1 ZINC001168988903 811337498 /nfs/dbraw/zinc/33/74/98/811337498.db2.gz UXUCJGDJKGPJBJ-NWDGAFQWSA-N 1 0 275.308 2.363 20 5 CEBDRO [NH3+]Cc1cccc2ncn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168988234 811337575 /nfs/dbraw/zinc/33/75/75/811337575.db2.gz PJYPHJPYMKVKOA-PWSUYJOCSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001168988098 811337649 /nfs/dbraw/zinc/33/76/49/811337649.db2.gz NUKUOIGVOLOTRP-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cnccn2)C1 ZINC001169033609 811345529 /nfs/dbraw/zinc/34/55/29/811345529.db2.gz CIHGHDZNURVEIH-YRGRVCCFSA-N 1 0 276.340 2.059 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](F)CO3)CC2)C1 ZINC001169039963 811349095 /nfs/dbraw/zinc/34/90/95/811349095.db2.gz WKSKPPUBXKSVOM-FRRDWIJNSA-N 1 0 286.347 2.025 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169023902 811355206 /nfs/dbraw/zinc/35/52/06/811355206.db2.gz GKTAXHNNPMPNEY-JKSUJKDBSA-N 1 0 295.427 2.240 20 5 CEBDRO CC1(C)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)O1 ZINC001169045724 811355684 /nfs/dbraw/zinc/35/56/84/811355684.db2.gz JVMXSLBMOJEBQA-NEPJUHHUSA-N 1 0 270.373 2.321 20 5 CEBDRO Cn1ccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169046753 811357669 /nfs/dbraw/zinc/35/76/69/811357669.db2.gz MNZADHALNGWKBQ-OCCSQVGLSA-N 1 0 292.383 2.045 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@H]1CCC[NH2+]1 ZINC001169568085 811571145 /nfs/dbraw/zinc/57/11/45/811571145.db2.gz QKNIKEOLIIFLTC-LLVKDONJSA-N 1 0 279.340 2.466 20 5 CEBDRO CC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045336721 811594069 /nfs/dbraw/zinc/59/40/69/811594069.db2.gz WODZPEHWORUPQW-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771286891 811954611 /nfs/dbraw/zinc/95/46/11/811954611.db2.gz HGUCAGLZEFNSGR-VHSXEESVSA-N 1 0 294.311 2.032 20 5 CEBDRO CN(c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C[NH3+] ZINC001170059406 812014531 /nfs/dbraw/zinc/01/45/31/812014531.db2.gz UQTMCBZZYTYHNJ-UHFFFAOYSA-N 1 0 257.721 2.422 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CCF)c([N+](=O)[O-])c1 ZINC001170297857 812376523 /nfs/dbraw/zinc/37/65/23/812376523.db2.gz UNLKWWPTVWZNND-VIFPVBQESA-N 1 0 256.277 2.094 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CC(O)C1)CC2 ZINC001172901632 815539599 /nfs/dbraw/zinc/53/95/99/815539599.db2.gz PCRWGZCNOGFWLC-OFWKBQFLSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@H](C)[NH2+]1 ZINC001158177111 812624866 /nfs/dbraw/zinc/62/48/66/812624866.db2.gz RHWLOPKWTQBTJN-QWRGUYRKSA-N 1 0 286.335 2.330 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170864992 813561377 /nfs/dbraw/zinc/56/13/77/813561377.db2.gz BKYVFVKLFBESBW-CQSZACIVSA-N 1 0 297.355 2.160 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000699595874 814664865 /nfs/dbraw/zinc/66/48/65/814664865.db2.gz OMBXBBTXJYYOHF-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221140 815625914 /nfs/dbraw/zinc/62/59/14/815625914.db2.gz KJURWJGRFGSKMU-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO COC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221065 815625971 /nfs/dbraw/zinc/62/59/71/815625971.db2.gz FRIREOMLQIXSBT-GXTWGEPZSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C=C(N)C=CC1 ZINC001173220932 815626278 /nfs/dbraw/zinc/62/62/78/815626278.db2.gz IMXFFPZPSJFGHJ-NSHDSACASA-N 1 0 259.309 2.198 20 5 CEBDRO Cc1nccnc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226208 815629580 /nfs/dbraw/zinc/62/95/80/815629580.db2.gz WCLQZJSNEUWBRR-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001173228967 815630539 /nfs/dbraw/zinc/63/05/39/815630539.db2.gz OUBRMICOUQKXTQ-BZPMIXESSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+](C)C)C1 ZINC001173229362 815631569 /nfs/dbraw/zinc/63/15/69/815631569.db2.gz STXPWGLSSRYWHH-WFASDCNBSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001173228968 815631615 /nfs/dbraw/zinc/63/16/15/815631615.db2.gz OUBRMICOUQKXTQ-SCRDCRAPSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1C[NH3+] ZINC001173210851 815635757 /nfs/dbraw/zinc/63/57/57/815635757.db2.gz OXXCRZHXUVWRJD-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C)CC1 ZINC001173212286 815635811 /nfs/dbraw/zinc/63/58/11/815635811.db2.gz ZCCSAXQVQAAAJF-LBPRGKRZSA-N 1 0 277.368 2.210 20 5 CEBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236983 815648911 /nfs/dbraw/zinc/64/89/11/815648911.db2.gz GQNIVIPSHRSBDU-RCBQFDQVSA-N 1 0 289.379 2.304 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC3(CCC3)CC2)c1 ZINC001178064575 816668811 /nfs/dbraw/zinc/66/88/11/816668811.db2.gz REGLHAXXXNKZOP-UHFFFAOYSA-N 1 0 278.356 2.494 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492319555 290603166 /nfs/dbraw/zinc/60/31/66/290603166.db2.gz GKTFNAXOOLCSGG-KTKRTIGZSA-N 1 0 291.351 2.018 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000449064042 282085595 /nfs/dbraw/zinc/08/55/95/282085595.db2.gz SJSCNFLAISNANP-LBPRGKRZSA-N 1 0 277.368 2.210 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075209 282089618 /nfs/dbraw/zinc/08/96/18/282089618.db2.gz MICIQZCZZMYJPH-GFCCVEGCSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000449080629 282092210 /nfs/dbraw/zinc/09/22/10/282092210.db2.gz XVKGYBJPRDZGBN-NEPJUHHUSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000127726631 187329390 /nfs/dbraw/zinc/32/93/90/187329390.db2.gz MKTYDMATTCPRJD-ZDUSSCGKSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294959210 199270384 /nfs/dbraw/zinc/27/03/84/199270384.db2.gz DQNVOAXPRYQPLL-CBAPKCEASA-N 1 0 280.296 2.151 20 5 CEBDRO [NH3+][C@H]1CCCCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323479 346820312 /nfs/dbraw/zinc/82/03/12/346820312.db2.gz AULZIVAGAPCUEG-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125366991 187181759 /nfs/dbraw/zinc/18/17/59/187181759.db2.gz WNGPWWGDDZTOTD-BHYNMZESSA-N 1 0 296.754 2.451 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125433178 187184884 /nfs/dbraw/zinc/18/48/84/187184884.db2.gz PEUXAJNPDXHRTA-SWLSCSKDSA-N 1 0 294.351 2.035 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000037644223 361915926 /nfs/dbraw/zinc/91/59/26/361915926.db2.gz REJBVHUAWPXNJS-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000037647803 361918483 /nfs/dbraw/zinc/91/84/83/361918483.db2.gz HESZXJQQZMZZES-VIFPVBQESA-N 1 0 253.277 2.098 20 5 CEBDRO [NH3+]CCCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000037714783 361922548 /nfs/dbraw/zinc/92/25/48/361922548.db2.gz CTORDAOAABSIIE-UHFFFAOYSA-N 1 0 260.297 2.294 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737839 361925387 /nfs/dbraw/zinc/92/53/87/361925387.db2.gz HLSLJXQTVLHJRU-WDEREUQCSA-N 1 0 250.298 2.282 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH3+])CCCCC1 ZINC000037810230 361948545 /nfs/dbraw/zinc/94/85/45/361948545.db2.gz HKORPFREXRCFJQ-UHFFFAOYSA-N 1 0 291.351 2.215 20 5 CEBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000037997233 361975992 /nfs/dbraw/zinc/97/59/92/361975992.db2.gz OWOXIMMYAZTXAK-GFCCVEGCSA-N 1 0 293.367 2.298 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000046784020 362186183 /nfs/dbraw/zinc/18/61/83/362186183.db2.gz ZTOVVFDEBDQUTB-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000027350769 343392925 /nfs/dbraw/zinc/39/29/25/343392925.db2.gz UDADSANDFHMNBO-LLVKDONJSA-N 1 0 292.339 2.201 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCO2)cs1 ZINC000038096484 343433522 /nfs/dbraw/zinc/43/35/22/343433522.db2.gz KXSPAEFLKOOCOL-SNVBAGLBSA-N 1 0 256.327 2.315 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000449517401 282268812 /nfs/dbraw/zinc/26/88/12/282268812.db2.gz KBUDOIXXWOJVQJ-WQDDEOEWSA-N 1 0 287.363 2.244 20 5 CEBDRO CN(C)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043411502 343463781 /nfs/dbraw/zinc/46/37/81/343463781.db2.gz IFCSBAICSAMPBZ-UHFFFAOYSA-N 1 0 265.357 2.067 20 5 CEBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000273167531 192063277 /nfs/dbraw/zinc/06/32/77/192063277.db2.gz CSQMMEJNQVUDLX-SNVBAGLBSA-N 1 0 295.314 2.404 20 5 CEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055539760 343605780 /nfs/dbraw/zinc/60/57/80/343605780.db2.gz BXNQAXVQZQUUOM-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1sc(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000063734972 343682323 /nfs/dbraw/zinc/68/23/23/343682323.db2.gz HYJIXZQUFMOBEJ-UHFFFAOYSA-N 1 0 297.380 2.131 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066810344 343722369 /nfs/dbraw/zinc/72/23/69/343722369.db2.gz CJLBKUQRFHTSQD-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CCC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000067949137 343749551 /nfs/dbraw/zinc/74/95/51/343749551.db2.gz SZYFOVWTMGVTJT-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO COc1cc(C[NH2+]C[C@H](OC)C(C)C)c([N+](=O)[O-])cc1O ZINC000072924804 343815479 /nfs/dbraw/zinc/81/54/79/343815479.db2.gz IZPPTPMPSDQBBG-AWEZNQCLSA-N 1 0 298.339 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)[NH+](C)C ZINC000602153645 346983600 /nfs/dbraw/zinc/98/36/00/346983600.db2.gz XBDSWHZEZWEQOC-SNVBAGLBSA-N 1 0 265.313 2.100 20 5 CEBDRO CC[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616082 343859192 /nfs/dbraw/zinc/85/91/92/343859192.db2.gz VHAAXNJLRHTPQQ-GFCCVEGCSA-N 1 0 263.341 2.293 20 5 CEBDRO Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000075651407 343861132 /nfs/dbraw/zinc/86/11/32/343861132.db2.gz LAUFUVJJABAREE-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075721490 343864591 /nfs/dbraw/zinc/86/45/91/343864591.db2.gz QGTYQJMHSDIPHD-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000078575997 343957753 /nfs/dbraw/zinc/95/77/53/343957753.db2.gz GSYVLHSDLBCRBU-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088720975 344113410 /nfs/dbraw/zinc/11/34/10/344113410.db2.gz LQIZDJOALGZDIY-ZDUSSCGKSA-N 1 0 293.367 2.426 20 5 CEBDRO CC[NH+]1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000049377552 362357714 /nfs/dbraw/zinc/35/77/14/362357714.db2.gz ZCTOKYKFQRWYDK-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000111299211 529961208 /nfs/dbraw/zinc/96/12/08/529961208.db2.gz BWJNJSNFEOZZLK-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000096848021 344242184 /nfs/dbraw/zinc/24/21/84/344242184.db2.gz MTMDVZWUQOZLBC-INIZCTEOSA-N 1 0 298.346 2.333 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128419822 344336394 /nfs/dbraw/zinc/33/63/94/344336394.db2.gz KUAZAVSLAYUZOJ-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](CO)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121085821 344301341 /nfs/dbraw/zinc/30/13/41/344301341.db2.gz RDUIWBDJQWBBHF-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122406757 344306455 /nfs/dbraw/zinc/30/64/55/344306455.db2.gz FDMZEHQYUSXDSM-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1OCC[C@H]1CC[NH2+]C1 ZINC000122552605 344307081 /nfs/dbraw/zinc/30/70/81/344307081.db2.gz GKBOQTJHAMJHQJ-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122629046 344307555 /nfs/dbraw/zinc/30/75/55/344307555.db2.gz KQILWYNNXYKCKT-ZWNOBZJWSA-N 1 0 292.339 2.186 20 5 CEBDRO COc1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134906367 344378442 /nfs/dbraw/zinc/37/84/42/344378442.db2.gz IQKLRLUHDWDNBW-LLVKDONJSA-N 1 0 291.351 2.500 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000159334487 344454402 /nfs/dbraw/zinc/45/44/02/344454402.db2.gz SVXTZSBHNKIPJV-CMPLNLGQSA-N 1 0 262.313 2.029 20 5 CEBDRO COC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000161558576 344464791 /nfs/dbraw/zinc/46/47/91/344464791.db2.gz COXWWNDTOCFSLA-LBPRGKRZSA-N 1 0 294.351 2.441 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000211077544 344531160 /nfs/dbraw/zinc/53/11/60/344531160.db2.gz DSIPBUISWRGNMU-SNVBAGLBSA-N 1 0 250.298 2.018 20 5 CEBDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000228560586 344561039 /nfs/dbraw/zinc/56/10/39/344561039.db2.gz VFJOGGYFUSMARU-SNVBAGLBSA-N 1 0 274.280 2.378 20 5 CEBDRO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000235181427 344589747 /nfs/dbraw/zinc/58/97/47/344589747.db2.gz CLPIQFUZFJXLHS-VHSXEESVSA-N 1 0 288.307 2.299 20 5 CEBDRO C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000050444068 362420510 /nfs/dbraw/zinc/42/05/10/362420510.db2.gz MSWZJZQBGRCGQE-MRVPVSSYSA-N 1 0 295.730 2.228 20 5 CEBDRO CCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000050539635 362422352 /nfs/dbraw/zinc/42/23/52/362422352.db2.gz VENVXSDKQAMHAZ-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394800 362417668 /nfs/dbraw/zinc/41/76/68/362417668.db2.gz PHBYFOBFFKJCJJ-KBPBESRZSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237410635 344601911 /nfs/dbraw/zinc/60/19/11/344601911.db2.gz DPBYEWATSQFRGX-RKDXNWHRSA-N 1 0 297.742 2.200 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000053047430 362478750 /nfs/dbraw/zinc/47/87/50/362478750.db2.gz IRPNLXWMKCUZMP-UHFFFAOYSA-N 1 0 252.314 2.236 20 5 CEBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602515990 347063560 /nfs/dbraw/zinc/06/35/60/347063560.db2.gz FSFYKAXZFJIAAV-WCQYABFASA-N 1 0 291.351 2.132 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756089 344637385 /nfs/dbraw/zinc/63/73/85/344637385.db2.gz LQKRAFVYMVKLJM-CHWSQXEVSA-N 1 0 293.367 2.163 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311914530 344736421 /nfs/dbraw/zinc/73/64/21/344736421.db2.gz RPQRYSAULKBJEH-TXEJJXNPSA-N 1 0 261.325 2.031 20 5 CEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000313874263 344743878 /nfs/dbraw/zinc/74/38/78/344743878.db2.gz MELGLFLUMCFWCS-JSGCOSHPSA-N 1 0 291.351 2.119 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CC[NH3+] ZINC000602536103 347069509 /nfs/dbraw/zinc/06/95/09/347069509.db2.gz XTXIEVHHECFUMU-UHFFFAOYSA-N 1 0 297.380 2.128 20 5 CEBDRO COc1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000602557506 347075964 /nfs/dbraw/zinc/07/59/64/347075964.db2.gz KLLRFASHEMITJD-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cscn2)cc1 ZINC000602557098 347076270 /nfs/dbraw/zinc/07/62/70/347076270.db2.gz VRNCWKSONLSFNX-UHFFFAOYSA-N 1 0 277.349 2.426 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402270400 344872166 /nfs/dbraw/zinc/87/21/66/344872166.db2.gz DLQZGIACANENLU-ZYHUDNBSSA-N 1 0 250.298 2.170 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301016 344872221 /nfs/dbraw/zinc/87/22/21/344872221.db2.gz JPKQSESOGLSPPT-CKYFFXLPSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266886 344872263 /nfs/dbraw/zinc/87/22/63/344872263.db2.gz IKRZJYKFIDMAOE-WCBMZHEXSA-N 1 0 254.261 2.001 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000083927660 178765163 /nfs/dbraw/zinc/76/51/63/178765163.db2.gz PJGABXMUJKCFRE-JTQLQIEISA-N 1 0 289.339 2.290 20 5 CEBDRO Cc1cccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000602577263 347085881 /nfs/dbraw/zinc/08/58/81/347085881.db2.gz GECDJXFAPIKRPQ-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+]2CCC1CC2 ZINC000589196863 345071130 /nfs/dbraw/zinc/07/11/30/345071130.db2.gz JNWJTXPKIYYNBO-HYXAFXHYSA-N 1 0 287.363 2.388 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000589502424 345084989 /nfs/dbraw/zinc/08/49/89/345084989.db2.gz SWNZDWCORMMGIH-QWRGUYRKSA-N 1 0 292.335 2.469 20 5 CEBDRO CC[C@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000127355389 187299881 /nfs/dbraw/zinc/29/98/81/187299881.db2.gz JBNBWSUYAMNSJS-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590010792 345110298 /nfs/dbraw/zinc/11/02/98/345110298.db2.gz UJDYCTLZSJGCRE-YMTOWFKASA-N 1 0 297.305 2.009 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590053012 345111604 /nfs/dbraw/zinc/11/16/04/345111604.db2.gz SBASYWMVHFPIMG-ZFWWWQNUSA-N 1 0 275.352 2.039 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000590753330 345174340 /nfs/dbraw/zinc/17/43/40/345174340.db2.gz NDTCOKCEONLZTH-OLZOCXBDSA-N 1 0 292.335 2.335 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[C@H]2C)c1 ZINC000590375321 345131748 /nfs/dbraw/zinc/13/17/48/345131748.db2.gz HJPFKCYTMNIBKM-VHSXEESVSA-N 1 0 278.308 2.222 20 5 CEBDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591306247 345238424 /nfs/dbraw/zinc/23/84/24/345238424.db2.gz UTUCANGEGABMFO-SECBINFHSA-N 1 0 294.355 2.361 20 5 CEBDRO CCOc1cccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591439880 345255174 /nfs/dbraw/zinc/25/51/74/345255174.db2.gz ZMQAOQGPPIQVAT-NWDGAFQWSA-N 1 0 291.351 2.182 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000591464207 345259094 /nfs/dbraw/zinc/25/90/94/345259094.db2.gz MXGCKXZHSXGVJP-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000591679896 345273888 /nfs/dbraw/zinc/27/38/88/345273888.db2.gz YZYHYJBAFSBKRA-UHFFFAOYSA-N 1 0 297.380 2.128 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427591 345352109 /nfs/dbraw/zinc/35/21/09/345352109.db2.gz GDUCPXVORYVYTI-IUODEOHRSA-N 1 0 277.368 2.462 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH3+] ZINC000592473579 345358631 /nfs/dbraw/zinc/35/86/31/345358631.db2.gz BVEYIMBXLWWKCR-UHFFFAOYSA-N 1 0 281.356 2.163 20 5 CEBDRO CC(C)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592484890 345359739 /nfs/dbraw/zinc/35/97/39/345359739.db2.gz GYEDJHJMJBWKRC-OAHLLOKOSA-N 1 0 277.368 2.067 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000295109153 199349818 /nfs/dbraw/zinc/34/98/18/199349818.db2.gz LJMDOENPXCOFNL-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593068810 345433305 /nfs/dbraw/zinc/43/33/05/345433305.db2.gz PJIATGFDRAFEPM-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000127426100 187304502 /nfs/dbraw/zinc/30/45/02/187304502.db2.gz YSBHUWMHSRPJTJ-AWEZNQCLSA-N 1 0 279.340 2.088 20 5 CEBDRO Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127449715 187306407 /nfs/dbraw/zinc/30/64/07/187306407.db2.gz ZHLYGUJPAKBDEH-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H](CO)CCF)C1CC1 ZINC000593718533 345526551 /nfs/dbraw/zinc/52/65/51/345526551.db2.gz IKMCFSKYHIKGTI-ZIAGYGMSSA-N 1 0 296.342 2.226 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593763941 345534337 /nfs/dbraw/zinc/53/43/37/345534337.db2.gz TXOORZADDHBUEL-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000593883480 345548205 /nfs/dbraw/zinc/54/82/05/345548205.db2.gz NKQYHHSGYQRYGD-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593924789 345552985 /nfs/dbraw/zinc/55/29/85/345552985.db2.gz POTZVEJYNYJDKW-VHSXEESVSA-N 1 0 267.304 2.046 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCCC[C@H]1CO ZINC000594014355 345565973 /nfs/dbraw/zinc/56/59/73/345565973.db2.gz BLOLJMZVKOLAHF-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO CCOc1cc(C[N@H+](C[C@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594065130 345576839 /nfs/dbraw/zinc/57/68/39/345576839.db2.gz OSAOCIQOMFXZEV-NSHDSACASA-N 1 0 294.351 2.339 20 5 CEBDRO [NH3+]C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594583436 345651431 /nfs/dbraw/zinc/65/14/31/345651431.db2.gz MMXMKKCPHDGQSK-TZNOJPMFSA-N 1 0 289.257 2.087 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C/C=C\CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071649 345739524 /nfs/dbraw/zinc/73/95/24/345739524.db2.gz PSILMJXAOMJVOP-NQHOJNORSA-N 1 0 276.336 2.455 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000594933994 345708310 /nfs/dbraw/zinc/70/83/10/345708310.db2.gz BYBVVFBSZYSPOP-TZMCWYRMSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCC2)c(Cl)c1 ZINC000594956622 345715778 /nfs/dbraw/zinc/71/57/78/345715778.db2.gz LUOMFQJVEQSTIL-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO COC1CC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594967792 345719280 /nfs/dbraw/zinc/71/92/80/345719280.db2.gz VOQGBYOGZFGJJK-UHFFFAOYSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+]1CCCC1 ZINC000595002947 345724136 /nfs/dbraw/zinc/72/41/36/345724136.db2.gz CEKRHEKXLDRNSS-GFCCVEGCSA-N 1 0 293.367 2.350 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCO ZINC000595009883 345725894 /nfs/dbraw/zinc/72/58/94/345725894.db2.gz UEMSYFLYYCQPMV-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000595014329 345726663 /nfs/dbraw/zinc/72/66/63/345726663.db2.gz OFFHBIBAJGTMNR-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000595041012 345733710 /nfs/dbraw/zinc/73/37/10/345733710.db2.gz OMFIYCBCZVXVBB-DMDPSCGWSA-N 1 0 294.351 2.415 20 5 CEBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542419 345807753 /nfs/dbraw/zinc/80/77/53/345807753.db2.gz FKZKZHNOBJBYDS-ZANVPECISA-N 1 0 283.328 2.184 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595553603 345811347 /nfs/dbraw/zinc/81/13/47/345811347.db2.gz ZIIZXBGHWMHURF-QXFUBDJGSA-N 1 0 253.302 2.368 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595428693 345780140 /nfs/dbraw/zinc/78/01/40/345780140.db2.gz GOOZUOKYPJBAFL-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429137 345780599 /nfs/dbraw/zinc/78/05/99/345780599.db2.gz LZPZTQNAQPPRKR-UWVGGRQHSA-N 1 0 298.314 2.411 20 5 CEBDRO CO[C@@H]1C[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595520715 345802588 /nfs/dbraw/zinc/80/25/88/345802588.db2.gz SPDOCBQKFBBSPM-VXGBXAGGSA-N 1 0 295.339 2.281 20 5 CEBDRO CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595747269 345865122 /nfs/dbraw/zinc/86/51/22/345865122.db2.gz JVNKGKDTBTYFMQ-UHFFFAOYSA-N 1 0 278.308 2.079 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759594 345869683 /nfs/dbraw/zinc/86/96/83/345869683.db2.gz XMHZQZPVZOSQSM-UHIISALHSA-N 1 0 262.309 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595805986 345879400 /nfs/dbraw/zinc/87/94/00/345879400.db2.gz CLXHDGNRIJXPMG-RYUDHWBXSA-N 1 0 262.309 2.315 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873712 345904184 /nfs/dbraw/zinc/90/41/84/345904184.db2.gz MPLAIGSQGVNJEO-NHYWBVRUSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595908757 345911372 /nfs/dbraw/zinc/91/13/72/345911372.db2.gz PXVZPTJEQGEBER-LDYMZIIASA-N 1 0 291.273 2.477 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595981778 345920602 /nfs/dbraw/zinc/92/06/02/345920602.db2.gz PPNHJYMIGLWOTP-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000596073569 345933516 /nfs/dbraw/zinc/93/35/16/345933516.db2.gz JICKHIOUPCZFQA-GHMZBOCLSA-N 1 0 294.355 2.370 20 5 CEBDRO Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000596078474 345934831 /nfs/dbraw/zinc/93/48/31/345934831.db2.gz QTZDGZWGKJQHJW-NSHDSACASA-N 1 0 299.396 2.223 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(O)CC1 ZINC000596085286 345936146 /nfs/dbraw/zinc/93/61/46/345936146.db2.gz LVBYTITWIRYENE-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO C[NH+](C)CC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596082869 345936184 /nfs/dbraw/zinc/93/61/84/345936184.db2.gz OMESAMQKLBYJQU-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092961 345938587 /nfs/dbraw/zinc/93/85/87/345938587.db2.gz YKHSRRVELLWZIU-LBPRGKRZSA-N 1 0 289.335 2.446 20 5 CEBDRO C[C@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094056 345938927 /nfs/dbraw/zinc/93/89/27/345938927.db2.gz IENQTRKFRIFFHR-JTQLQIEISA-N 1 0 256.277 2.232 20 5 CEBDRO O=c1[nH]ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000596209694 345969755 /nfs/dbraw/zinc/96/97/55/345969755.db2.gz BQKBDSSIHOUSJM-NSHDSACASA-N 1 0 292.339 2.124 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+](C)C)[C@H]2C)n1 ZINC000596246501 345979356 /nfs/dbraw/zinc/97/93/56/345979356.db2.gz WEYNUHWMZYXFRY-VXGBXAGGSA-N 1 0 278.356 2.135 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000596334555 346002161 /nfs/dbraw/zinc/00/21/61/346002161.db2.gz CEPSQAAMGKFGJK-SNVBAGLBSA-N 1 0 264.329 2.275 20 5 CEBDRO COc1cc(N(C)CC2C[NH+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596453792 346027806 /nfs/dbraw/zinc/02/78/06/346027806.db2.gz NRMVZUWKHLENKT-UHFFFAOYSA-N 1 0 299.758 2.255 20 5 CEBDRO C[C@@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000597233968 346156478 /nfs/dbraw/zinc/15/64/78/346156478.db2.gz DQIXNNYVGWENII-MRVPVSSYSA-N 1 0 270.716 2.251 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493270815 290772925 /nfs/dbraw/zinc/77/29/25/290772925.db2.gz RWUWBVPHLRNXPW-RMKNXTFCSA-N 1 0 291.351 2.112 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597858795 346239830 /nfs/dbraw/zinc/23/98/30/346239830.db2.gz PCINQBKKIKMPBJ-SNVBAGLBSA-N 1 0 297.380 2.259 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351228 362717669 /nfs/dbraw/zinc/71/76/69/362717669.db2.gz LSBYOOXXPXCPGG-RISCZKNCSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598912965 346433492 /nfs/dbraw/zinc/43/34/92/346433492.db2.gz DCMJKIPADFDWJP-XVKPBYJWSA-N 1 0 298.730 2.202 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000598987287 346442748 /nfs/dbraw/zinc/44/27/48/346442748.db2.gz JUAFZBJQBNPBOU-CYBMUJFWSA-N 1 0 299.321 2.414 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000599083960 346457969 /nfs/dbraw/zinc/45/79/69/346457969.db2.gz YZDVFGOBAURWGG-JTQLQIEISA-N 1 0 280.324 2.291 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000599084749 346458096 /nfs/dbraw/zinc/45/80/96/346458096.db2.gz WXDDCSWAPBCAJI-VIKVFOODSA-N 1 0 298.346 2.139 20 5 CEBDRO CCC(CC)[NH2+]CCNc1ncc([N+](=O)[O-])cc1F ZINC000599098166 346459704 /nfs/dbraw/zinc/45/97/04/346459704.db2.gz PUAMXISXHZCJBQ-UHFFFAOYSA-N 1 0 270.308 2.319 20 5 CEBDRO CCC(CC)[NH2+]CCNc1nccc(C)c1[N+](=O)[O-] ZINC000599098182 346459852 /nfs/dbraw/zinc/45/98/52/346459852.db2.gz QFVIYXGOZCTALR-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179485 346474667 /nfs/dbraw/zinc/47/46/67/346474667.db2.gz HUXBEGWGMVBHTC-NWDGAFQWSA-N 1 0 278.356 2.183 20 5 CEBDRO Cn1cc(C[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])n1 ZINC000602606329 347097507 /nfs/dbraw/zinc/09/75/07/347097507.db2.gz BYPHAHXQSHYXEZ-NSHDSACASA-N 1 0 264.329 2.116 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000599656295 346556644 /nfs/dbraw/zinc/55/66/44/346556644.db2.gz VEIVOZIXEFHCFQ-WVSHTKLVSA-N 1 0 284.743 2.451 20 5 CEBDRO C/C=C\C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599692349 346569456 /nfs/dbraw/zinc/56/94/56/346569456.db2.gz VEKQUKLTPJRIIQ-ZRMMWKCHSA-N 1 0 278.356 2.470 20 5 CEBDRO C[C@@H](O)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000270727423 190789704 /nfs/dbraw/zinc/78/97/04/190789704.db2.gz QCYTXYMPGSGWQK-LXSSAFMLSA-N 1 0 264.325 2.357 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600189117 346618582 /nfs/dbraw/zinc/61/85/82/346618582.db2.gz CJPGGJVACIJFCH-PHIMTYICSA-N 1 0 262.309 2.445 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+]C12CCC2 ZINC000600676031 346671344 /nfs/dbraw/zinc/67/13/44/346671344.db2.gz ROSXWQGHVKGVQZ-LBPRGKRZSA-N 1 0 277.324 2.300 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000600312423 346633345 /nfs/dbraw/zinc/63/33/45/346633345.db2.gz RYVZYOBZMUGYDR-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600679432 346672507 /nfs/dbraw/zinc/67/25/07/346672507.db2.gz KEYPNWLBJSJDNH-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO CC[C@@H]1[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000600882765 346703831 /nfs/dbraw/zinc/70/38/31/346703831.db2.gz CGAAGGZNDWTIBL-QWHCGFSZSA-N 1 0 277.324 2.264 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1ccnc1C[NH3+] ZINC000600966310 346720959 /nfs/dbraw/zinc/72/09/59/346720959.db2.gz MJAHMJYUPPOWCN-UHFFFAOYSA-N 1 0 290.323 2.086 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442395 187371377 /nfs/dbraw/zinc/37/13/77/187371377.db2.gz FRCICQXVBHXTTQ-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](O)C(F)F ZINC000601147415 346769167 /nfs/dbraw/zinc/76/91/67/346769167.db2.gz MVOVVGCFYZKKTR-NSHDSACASA-N 1 0 274.267 2.009 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H](O)C(F)F ZINC000601147537 346769221 /nfs/dbraw/zinc/76/92/21/346769221.db2.gz QWYQOUHJJUVJKH-PYEVWLCESA-N 1 0 286.278 2.214 20 5 CEBDRO C[C@](CO)([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148486 346769811 /nfs/dbraw/zinc/76/98/11/346769811.db2.gz COEDBPOKUIVQAV-BXUZGUMPSA-N 1 0 296.392 2.145 20 5 CEBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616200 347104906 /nfs/dbraw/zinc/10/49/06/347104906.db2.gz ILHSBKRBAGPBHO-NWDGAFQWSA-N 1 0 296.371 2.010 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000602647378 347121864 /nfs/dbraw/zinc/12/18/64/347121864.db2.gz HVHDITAJELRPIU-ZDUSSCGKSA-N 1 0 276.336 2.106 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CO)CCC1 ZINC000602714686 347166735 /nfs/dbraw/zinc/16/67/35/347166735.db2.gz JGLGGOBUEMDANJ-UHFFFAOYSA-N 1 0 291.307 2.083 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602654535 347125841 /nfs/dbraw/zinc/12/58/41/347125841.db2.gz MWTVOSXLAJNTCF-OCCSQVGLSA-N 1 0 278.352 2.400 20 5 CEBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819008 347212448 /nfs/dbraw/zinc/21/24/48/347212448.db2.gz PKLCDQXXUGPENZ-VXGBXAGGSA-N 1 0 298.412 2.482 20 5 CEBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784170 347197343 /nfs/dbraw/zinc/19/73/43/347197343.db2.gz QNTGOHJWRXXKRC-JQWIXIFHSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000602803781 347206057 /nfs/dbraw/zinc/20/60/57/347206057.db2.gz GBZXSYUSHXNRGU-ZDUSSCGKSA-N 1 0 278.356 2.388 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738200 347179962 /nfs/dbraw/zinc/17/99/62/347179962.db2.gz AKKAVHVTSPKTRW-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931230 347250510 /nfs/dbraw/zinc/25/05/10/347250510.db2.gz NGXLGZWZKHETLU-RISCZKNCSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC2CCC1CC2 ZINC000602837791 347219397 /nfs/dbraw/zinc/21/93/97/347219397.db2.gz CMJCCQWCYLMECA-BPCQOVAHSA-N 1 0 278.356 2.268 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000602844666 347221917 /nfs/dbraw/zinc/22/19/17/347221917.db2.gz FTAVFLGSIPHYJY-HBNTYKKESA-N 1 0 266.345 2.076 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845190 347222689 /nfs/dbraw/zinc/22/26/89/347222689.db2.gz GEXRLWVVNKRZCY-GHMZBOCLSA-N 1 0 266.345 2.243 20 5 CEBDRO CSCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966107 347259051 /nfs/dbraw/zinc/25/90/51/347259051.db2.gz WYWRMBXDTHZTLV-ZDUSSCGKSA-N 1 0 284.381 2.145 20 5 CEBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000603056838 347278117 /nfs/dbraw/zinc/27/81/17/347278117.db2.gz VLMBLPFVWMSAKV-GFCCVEGCSA-N 1 0 295.383 2.371 20 5 CEBDRO CCOC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000604273879 347407996 /nfs/dbraw/zinc/40/79/96/347407996.db2.gz WQBKSLACDHRZPG-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604304621 347408678 /nfs/dbraw/zinc/40/86/78/347408678.db2.gz UQIYVDVYPWKXIZ-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1(C)C ZINC000603408018 347362284 /nfs/dbraw/zinc/36/22/84/347362284.db2.gz VWVPVLKXEFIAHB-GHMZBOCLSA-N 1 0 282.319 2.270 20 5 CEBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435782 347370267 /nfs/dbraw/zinc/37/02/67/347370267.db2.gz ZFMYWULDRMUKQV-TVYUQYBPSA-N 1 0 263.341 2.371 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000609204571 347630699 /nfs/dbraw/zinc/63/06/99/347630699.db2.gz XBWOZGWEJMIOAM-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000609317239 347634212 /nfs/dbraw/zinc/63/42/12/347634212.db2.gz PXQIAICLKQRYGK-UHFFFAOYSA-N 1 0 266.341 2.435 20 5 CEBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384309 347637768 /nfs/dbraw/zinc/63/77/68/347637768.db2.gz HWZTXRAKSGSDPO-GFCCVEGCSA-N 1 0 261.325 2.491 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ncc1[N+](=O)[O-] ZINC000610430893 347681423 /nfs/dbraw/zinc/68/14/23/347681423.db2.gz RKYNJXKCURDTDC-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000610476256 347683364 /nfs/dbraw/zinc/68/33/64/347683364.db2.gz QMVIHWRNLRSLSO-VIFPVBQESA-N 1 0 264.329 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(F)c1 ZINC000610782746 347714466 /nfs/dbraw/zinc/71/44/66/347714466.db2.gz VRNDGOOKIMVBQB-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO Cc1cnc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000610284230 347669524 /nfs/dbraw/zinc/66/95/24/347669524.db2.gz TVBJZYYAOLXCNC-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000610281813 347669588 /nfs/dbraw/zinc/66/95/88/347669588.db2.gz JUZHVDZTGCPYHG-SNVBAGLBSA-N 1 0 265.338 2.107 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+](C)C)C2)c1 ZINC000611132795 347743011 /nfs/dbraw/zinc/74/30/11/347743011.db2.gz OUTKCZMXBLAZEE-ZDUSSCGKSA-N 1 0 293.367 2.060 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCOCC3(CC3)C2)c1 ZINC000611813088 347818709 /nfs/dbraw/zinc/81/87/09/347818709.db2.gz AYOIPIAMPKRKSF-UHFFFAOYSA-N 1 0 262.309 2.207 20 5 CEBDRO O=C(CC[N@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611517545 347790037 /nfs/dbraw/zinc/79/00/37/347790037.db2.gz NPMGGVUXBBMERZ-UHFFFAOYSA-N 1 0 275.308 2.185 20 5 CEBDRO COc1ccc(OCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517630 347790283 /nfs/dbraw/zinc/79/02/83/347790283.db2.gz YSODZDFZJSFMRC-UHFFFAOYSA-N 1 0 278.308 2.244 20 5 CEBDRO CN(CCC[NH+](C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000611521813 347790785 /nfs/dbraw/zinc/79/07/85/347790785.db2.gz VLYRBDFVPBZVFA-UHFFFAOYSA-N 1 0 265.357 2.021 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000086626206 179312762 /nfs/dbraw/zinc/31/27/62/179312762.db2.gz QITRGSHJTXFMFI-KOLCDFICSA-N 1 0 252.314 2.182 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459628012 290199820 /nfs/dbraw/zinc/19/98/20/290199820.db2.gz FCAWQJQPGBNRRG-KLPPZKSPSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011379 179379442 /nfs/dbraw/zinc/37/94/42/179379442.db2.gz QXYKBWAEJGPLSD-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000351936774 219255636 /nfs/dbraw/zinc/25/56/36/219255636.db2.gz QUCYQKWJYNASDW-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000128820700 187392751 /nfs/dbraw/zinc/39/27/51/187392751.db2.gz QVWVLTSNXTXLJE-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCSC1 ZINC000273390644 192135924 /nfs/dbraw/zinc/13/59/24/192135924.db2.gz JQPDYSVOFVBKDR-LLVKDONJSA-N 1 0 252.339 2.498 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000619872718 349242100 /nfs/dbraw/zinc/24/21/00/349242100.db2.gz IAUUJZIWUHYFFB-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538994 180000112 /nfs/dbraw/zinc/00/01/12/180000112.db2.gz CKHCBACLLVIODI-QWRGUYRKSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1cnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000090692111 180024349 /nfs/dbraw/zinc/02/43/49/180024349.db2.gz MMMHZMXBQSGPTB-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO CCC[C@H]([NH2+]CC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949075 180071313 /nfs/dbraw/zinc/07/13/13/180071313.db2.gz LSHXCOQUNGJKAH-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061934 233326127 /nfs/dbraw/zinc/32/61/27/233326127.db2.gz ANLZDWHTYGTCMK-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000412066190 233327450 /nfs/dbraw/zinc/32/74/50/233327450.db2.gz DBKXWPKJECYWSO-TZMCWYRMSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000104954571 186033992 /nfs/dbraw/zinc/03/39/92/186033992.db2.gz AFEULRLALVVFEG-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCC([NH3+])CC2)c1 ZINC000091845190 180270145 /nfs/dbraw/zinc/27/01/45/180270145.db2.gz CIALEAPRHZTAEW-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO CC1(C2CC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352190086 219352501 /nfs/dbraw/zinc/35/25/01/219352501.db2.gz ORYLEUZGCHMDAJ-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@H](C)O ZINC000352212269 219365603 /nfs/dbraw/zinc/36/56/03/219365603.db2.gz OBDLMQCNCLPJMY-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO CCOc1cc(C[N@H+](CC)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000352224186 219372511 /nfs/dbraw/zinc/37/25/11/219372511.db2.gz ZPPHHICHOWMYQH-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111135840 186357696 /nfs/dbraw/zinc/35/76/96/186357696.db2.gz FPIYRBHAGNOPNC-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000111829389 186461169 /nfs/dbraw/zinc/46/11/69/186461169.db2.gz FUHBQZJTRXUOPS-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070069763 363025701 /nfs/dbraw/zinc/02/57/01/363025701.db2.gz SZZFAZHGCRFHDS-JTQLQIEISA-N 1 0 297.742 2.024 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000070534358 363093598 /nfs/dbraw/zinc/09/35/98/363093598.db2.gz GOWAOXZLPYFVES-CYBMUJFWSA-N 1 0 263.341 2.298 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458973 191149939 /nfs/dbraw/zinc/14/99/39/191149939.db2.gz FSIAPDURRFKWCE-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1C ZINC000072874537 363176990 /nfs/dbraw/zinc/17/69/90/363176990.db2.gz QIUWFJUXQSGHPW-QWRGUYRKSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000292051836 198146776 /nfs/dbraw/zinc/14/67/76/198146776.db2.gz JGYIUSSJVFCKBD-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CCOCC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292090012 198159084 /nfs/dbraw/zinc/15/90/84/198159084.db2.gz GSJXIXOSSGRLMW-LBPRGKRZSA-N 1 0 296.367 2.207 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591821 191230820 /nfs/dbraw/zinc/23/08/20/191230820.db2.gz GPVCFIOGVNPMSN-HZMBPMFUSA-N 1 0 261.325 2.489 20 5 CEBDRO COCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292678702 198372924 /nfs/dbraw/zinc/37/29/24/198372924.db2.gz QWGHQUYWNOTYLC-UHFFFAOYSA-N 1 0 285.319 2.032 20 5 CEBDRO COc1cc(C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000158719263 188391055 /nfs/dbraw/zinc/39/10/55/188391055.db2.gz GKBPZUPBDPKVGC-UHFFFAOYSA-N 1 0 268.313 2.452 20 5 CEBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158490966 188379474 /nfs/dbraw/zinc/37/94/74/188379474.db2.gz XASXRKIOFGSYTF-LLVKDONJSA-N 1 0 293.367 2.408 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132831530 366173346 /nfs/dbraw/zinc/17/33/46/366173346.db2.gz DYLHENWRTIGFGJ-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132940792 366182080 /nfs/dbraw/zinc/18/20/80/366182080.db2.gz GSUGUNHJPYRUPL-SLEUVZQESA-N 1 0 294.351 2.439 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074742719 363380489 /nfs/dbraw/zinc/38/04/89/363380489.db2.gz LUOIAAUAPMYCMU-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000272236755 191599536 /nfs/dbraw/zinc/59/95/36/191599536.db2.gz ADAHTKQLTKZIKB-LLVKDONJSA-N 1 0 252.314 2.236 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000576111789 314243255 /nfs/dbraw/zinc/24/32/55/314243255.db2.gz LBPMTMCKCIESJR-RISCZKNCSA-N 1 0 266.341 2.482 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451945486 283149139 /nfs/dbraw/zinc/14/91/39/283149139.db2.gz UYEIVHPADDGTBR-LERXQTSPSA-N 1 0 280.324 2.049 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452101028 283187224 /nfs/dbraw/zinc/18/72/24/283187224.db2.gz RJYBNWXBKKBBFR-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000490918372 290495330 /nfs/dbraw/zinc/49/53/30/290495330.db2.gz ABGAAIYJIBSTQG-YFHOEESVSA-N 1 0 291.351 2.064 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134549174 366338104 /nfs/dbraw/zinc/33/81/04/366338104.db2.gz PBWVZZDLBFCZJE-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414478493 236376695 /nfs/dbraw/zinc/37/66/95/236376695.db2.gz GDOIJXNEJTZXPT-SECBINFHSA-N 1 0 258.343 2.419 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000294762576 199170929 /nfs/dbraw/zinc/17/09/29/199170929.db2.gz MOZYIZQCEXXGHL-CYBMUJFWSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000294808145 199192197 /nfs/dbraw/zinc/19/21/97/199192197.db2.gz JASROWMHWPFRCY-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000216396042 540402592 /nfs/dbraw/zinc/40/25/92/540402592.db2.gz UAIPSRUPIHFVGC-GXTWGEPZSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465648 366443357 /nfs/dbraw/zinc/44/33/57/366443357.db2.gz PRSXVBCRTDROST-GXFFZTMASA-N 1 0 252.314 2.262 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCOCC23CCC3)c1 ZINC000135509884 366449269 /nfs/dbraw/zinc/44/92/69/366449269.db2.gz MDLOESZIEKCUEL-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135519433 366450273 /nfs/dbraw/zinc/45/02/73/366450273.db2.gz YZTNHFZJWLBNNN-UONOGXRCSA-N 1 0 294.376 2.301 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135544153 366453273 /nfs/dbraw/zinc/45/32/73/366453273.db2.gz AWWKIFBNYAVXSZ-UONOGXRCSA-N 1 0 294.376 2.301 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000294899012 199238304 /nfs/dbraw/zinc/23/83/04/199238304.db2.gz XCTHRPSMXNTGPG-LLVKDONJSA-N 1 0 282.340 2.102 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH3+] ZINC000415485332 236675119 /nfs/dbraw/zinc/67/51/19/236675119.db2.gz POSXVDHQPJFAOO-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000338687377 366469652 /nfs/dbraw/zinc/46/96/52/366469652.db2.gz INGYLXMQRXELKX-ZYHUDNBSSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000296971770 200050206 /nfs/dbraw/zinc/05/02/06/200050206.db2.gz DFADGDFHDKXCQW-LBPRGKRZSA-N 1 0 293.371 2.004 20 5 CEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000578983281 366575261 /nfs/dbraw/zinc/57/52/61/366575261.db2.gz YDDPPEABPMKIEI-QMTHXVAHSA-N 1 0 286.335 2.317 20 5 CEBDRO CC1CC[NH+](CCCCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339028642 366620852 /nfs/dbraw/zinc/62/08/52/366620852.db2.gz BXDXQUYUZNSFNT-UHFFFAOYSA-N 1 0 295.387 2.252 20 5 CEBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000151787086 366665346 /nfs/dbraw/zinc/66/53/46/366665346.db2.gz RWTFEPFYWKZSSW-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[C@H]1O ZINC000579610979 366673327 /nfs/dbraw/zinc/67/33/27/366673327.db2.gz FSRNPUDSUQONJD-UMVBOHGHSA-N 1 0 276.336 2.475 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000177444984 189051927 /nfs/dbraw/zinc/05/19/27/189051927.db2.gz HYULXGKOXHSZDS-UWVGGRQHSA-N 1 0 297.380 2.259 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000177990655 189083514 /nfs/dbraw/zinc/08/35/14/189083514.db2.gz XMKBWTUOFFFSMK-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656554 189135406 /nfs/dbraw/zinc/13/54/06/189135406.db2.gz ZGMLIVUYNPDDRV-BXUZGUMPSA-N 1 0 291.351 2.255 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCCC1 ZINC000179193191 189176263 /nfs/dbraw/zinc/17/62/63/189176263.db2.gz BOCJLUKKXMGFHX-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342226818 216269468 /nfs/dbraw/zinc/26/94/68/216269468.db2.gz OGHNJDXRJYBJCE-SNVBAGLBSA-N 1 0 258.343 2.010 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301307080 200972366 /nfs/dbraw/zinc/97/23/66/200972366.db2.gz YZANBEVITFHLOB-LBPRGKRZSA-N 1 0 295.387 2.169 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000181477853 189298108 /nfs/dbraw/zinc/29/81/08/189298108.db2.gz UQMNORTXHIIRSK-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1O ZINC000342299235 216299065 /nfs/dbraw/zinc/29/90/65/216299065.db2.gz LKYBPSUQJGYYSQ-ZJUUUORDSA-N 1 0 284.287 2.289 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732952 366695726 /nfs/dbraw/zinc/69/57/26/366695726.db2.gz CPLVDNSJLHQLLZ-ZDUSSCGKSA-N 1 0 291.351 2.086 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000579948807 366727469 /nfs/dbraw/zinc/72/74/69/366727469.db2.gz ZWYOCHLVUDZMMU-GFCCVEGCSA-N 1 0 282.340 2.065 20 5 CEBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051720 189344465 /nfs/dbraw/zinc/34/44/65/189344465.db2.gz XZRDDKDRWVWSOP-ZJUUUORDSA-N 1 0 279.340 2.218 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183304009 189353634 /nfs/dbraw/zinc/35/36/34/189353634.db2.gz MYWWILUOQVYFAP-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000053202282 283681177 /nfs/dbraw/zinc/68/11/77/283681177.db2.gz HWZYKLNXAOZUPZ-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061794 363795314 /nfs/dbraw/zinc/79/53/14/363795314.db2.gz VTZFWMAUNXPMLM-TZMCWYRMSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1ccc(Nc2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000301804474 201208182 /nfs/dbraw/zinc/20/81/82/201208182.db2.gz DPZNXQZJQIALIK-UHFFFAOYSA-N 1 0 289.339 2.405 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000301879033 201245908 /nfs/dbraw/zinc/24/59/08/201245908.db2.gz UNGAGPCZHZXERH-LSDHHAIUSA-N 1 0 291.351 2.260 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261567087 291282199 /nfs/dbraw/zinc/28/21/99/291282199.db2.gz ZOSZNVPQMIECFK-CBAPKCEASA-N 1 0 255.705 2.174 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000301974116 201283515 /nfs/dbraw/zinc/28/35/15/201283515.db2.gz AOCAXWFYVZFPAY-SNVBAGLBSA-N 1 0 285.369 2.179 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013110 363840578 /nfs/dbraw/zinc/84/05/78/363840578.db2.gz WYNKBTBDGOSZEX-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090795388 364065820 /nfs/dbraw/zinc/06/58/20/364065820.db2.gz OGHOLTIOHHYWBC-MNOVXSKESA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188801486 189513853 /nfs/dbraw/zinc/51/38/53/189513853.db2.gz PRORUSMBWXALFY-SMDDNHRTSA-N 1 0 264.325 2.154 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633030 364205064 /nfs/dbraw/zinc/20/50/64/364205064.db2.gz DYAQWXCJNUXGCJ-LLVKDONJSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094797835 364296664 /nfs/dbraw/zinc/29/66/64/364296664.db2.gz SRYAVFODJRJJIF-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000102479190 364596417 /nfs/dbraw/zinc/59/64/17/364596417.db2.gz GZQLPRBAXVFCPO-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1ccc(C[NH2+]CCCCCO)cc1[N+](=O)[O-] ZINC000192907938 189631656 /nfs/dbraw/zinc/63/16/56/189631656.db2.gz IEWDAYLYBCVZBW-UHFFFAOYSA-N 1 0 252.314 2.155 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193465115 189643552 /nfs/dbraw/zinc/64/35/52/189643552.db2.gz GPESDNOVVICWOM-VXGBXAGGSA-N 1 0 278.356 2.462 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C2)nc1 ZINC000118865966 365186011 /nfs/dbraw/zinc/18/60/11/365186011.db2.gz JPZUYIDPMBURII-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO CCOCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000159265777 366894017 /nfs/dbraw/zinc/89/40/17/366894017.db2.gz SHGASZBQIUQQMU-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO CCC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120918977 365495354 /nfs/dbraw/zinc/49/53/54/365495354.db2.gz SRBUUBIEMAOQPC-LBPRGKRZSA-N 1 0 266.345 2.303 20 5 CEBDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583020394 366990222 /nfs/dbraw/zinc/99/02/22/366990222.db2.gz XSMUVOPLEBSZMG-CHWSQXEVSA-N 1 0 296.367 2.216 20 5 CEBDRO C[C@]1(F)C[NH2+]CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000583253157 367022651 /nfs/dbraw/zinc/02/26/51/367022651.db2.gz HWEIBJQLHQLCPG-LBPRGKRZSA-N 1 0 287.722 2.386 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH2+]CC1 ZINC000583612140 367072907 /nfs/dbraw/zinc/07/29/07/367072907.db2.gz DTTYDCHQZOLGHV-UHFFFAOYSA-N 1 0 292.339 2.024 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000341207514 367221824 /nfs/dbraw/zinc/22/18/24/367221824.db2.gz TWKZOVBKVAMQFQ-ZYHUDNBSSA-N 1 0 292.339 2.199 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000162837566 367194669 /nfs/dbraw/zinc/19/46/69/367194669.db2.gz GZSDSFNOYNYQSA-ZWNOBZJWSA-N 1 0 293.367 2.454 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000590569912 367197940 /nfs/dbraw/zinc/19/79/40/367197940.db2.gz UWZKMUGEVHQKDW-GXSJLCMTSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253185 367227433 /nfs/dbraw/zinc/22/74/33/367227433.db2.gz WDYJKWVEWNLFFO-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1nc(NC(=O)c2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000341372409 367309037 /nfs/dbraw/zinc/30/90/37/367309037.db2.gz QELRFRUOJMSNRY-UHFFFAOYSA-N 1 0 297.274 2.198 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000343552532 367879294 /nfs/dbraw/zinc/87/92/94/367879294.db2.gz WBGPSVDKBIPWLW-LBPRGKRZSA-N 1 0 275.352 2.436 20 5 CEBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343594484 367904548 /nfs/dbraw/zinc/90/45/48/367904548.db2.gz LBNCYNSKDLNHMK-JQWIXIFHSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407284 367907559 /nfs/dbraw/zinc/90/75/59/367907559.db2.gz ZINVNKRLNBYPMO-NSHDSACASA-N 1 0 291.351 2.304 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346069 367900870 /nfs/dbraw/zinc/90/08/70/367900870.db2.gz IBZPLINGSPAJEM-IUODEOHRSA-N 1 0 296.367 2.279 20 5 CEBDRO COc1cc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000343807435 368014356 /nfs/dbraw/zinc/01/43/56/368014356.db2.gz OFHJAJZGNXJAPU-MRVPVSSYSA-N 1 0 271.292 2.105 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174504676 368030666 /nfs/dbraw/zinc/03/06/66/368030666.db2.gz BMQXXVJYHOHHDZ-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000175770349 368175511 /nfs/dbraw/zinc/17/55/11/368175511.db2.gz XBFVXAIHLYCVQG-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182823512 368593762 /nfs/dbraw/zinc/59/37/62/368593762.db2.gz VZEMMVNZFXUZJC-NEPJUHHUSA-N 1 0 293.367 2.278 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184736785 368715994 /nfs/dbraw/zinc/71/59/94/368715994.db2.gz FKQDPUFOMOYMID-GHMZBOCLSA-N 1 0 280.324 2.272 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000346617361 368737915 /nfs/dbraw/zinc/73/79/15/368737915.db2.gz CQMVOBHWSZZINQ-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO COc1cccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000185425257 368805601 /nfs/dbraw/zinc/80/56/01/368805601.db2.gz QNNNIVZPRHKOOG-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678321 368841375 /nfs/dbraw/zinc/84/13/75/368841375.db2.gz SHXZWVQWSUDYRK-ZWNOBZJWSA-N 1 0 291.351 2.314 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185981398 368898526 /nfs/dbraw/zinc/89/85/26/368898526.db2.gz KQTSCWGQBFJAQO-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000348159645 368926380 /nfs/dbraw/zinc/92/63/80/368926380.db2.gz KJTNONYWRPWAGZ-OLZOCXBDSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000186239326 368944009 /nfs/dbraw/zinc/94/40/09/368944009.db2.gz GKJVGIAOHNJJGK-UHFFFAOYSA-N 1 0 298.346 2.339 20 5 CEBDRO CC1(CO)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186952286 369073931 /nfs/dbraw/zinc/07/39/31/369073931.db2.gz PJLFBGBTUIMTLQ-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000343598008 216839596 /nfs/dbraw/zinc/83/95/96/216839596.db2.gz BPGJZDYPRMXEAP-UHFFFAOYSA-N 1 0 298.346 2.310 20 5 CEBDRO Cc1cc(N(C)C2CC(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000353288253 220009114 /nfs/dbraw/zinc/00/91/14/220009114.db2.gz AQUKZFHGEHZTBA-UHFFFAOYSA-N 1 0 287.319 2.411 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000189123154 369462141 /nfs/dbraw/zinc/46/21/41/369462141.db2.gz CCCRTUYCXVHVOS-VHSXEESVSA-N 1 0 268.313 2.116 20 5 CEBDRO CO[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189322093 369496870 /nfs/dbraw/zinc/49/68/70/369496870.db2.gz KAOQFAFUQVBSSQ-DOMZBBRYSA-N 1 0 294.351 2.330 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000276223625 193247858 /nfs/dbraw/zinc/24/78/58/193247858.db2.gz MUWRGOVMZFLTPX-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CCOCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000190248142 369607391 /nfs/dbraw/zinc/60/73/91/369607391.db2.gz ZEWAMJNETPEWPM-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269444 369697177 /nfs/dbraw/zinc/69/71/77/369697177.db2.gz APCZWYPXOZXHMV-BVUQATHDSA-N 1 0 264.325 2.329 20 5 CEBDRO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000191567894 369723669 /nfs/dbraw/zinc/72/36/69/369723669.db2.gz LBSIUURBXGBEKE-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCCCC1 ZINC000192470261 369816798 /nfs/dbraw/zinc/81/67/98/369816798.db2.gz YPMQSVOEEOUROT-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1O ZINC000352668217 369825401 /nfs/dbraw/zinc/82/54/01/369825401.db2.gz QKSLOLZHGWLCRT-STQMWFEESA-N 1 0 268.288 2.079 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192131113 369775357 /nfs/dbraw/zinc/77/53/57/369775357.db2.gz RSUBBNGWOYUKOS-ZWNOBZJWSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539970 369777566 /nfs/dbraw/zinc/77/75/66/369777566.db2.gz FRROZFPUYWYZBZ-MRXNPFEDSA-N 1 0 289.379 2.479 20 5 CEBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352768207 369875580 /nfs/dbraw/zinc/87/55/80/369875580.db2.gz GJLONAAQRPMAMM-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO NC(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194416452 370037061 /nfs/dbraw/zinc/03/70/61/370037061.db2.gz OMHOUGCASSYHLG-UHFFFAOYSA-N 1 0 299.330 2.026 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162431 370221212 /nfs/dbraw/zinc/22/12/12/370221212.db2.gz JVGOBVQSWAKVDQ-NWDGAFQWSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204351 370259219 /nfs/dbraw/zinc/25/92/19/370259219.db2.gz FMAAGSNUHXTLGS-NEPJUHHUSA-N 1 0 291.351 2.288 20 5 CEBDRO CCC[N@H+](CC)CCNCc1ccccc1[N+](=O)[O-] ZINC000223227131 370262141 /nfs/dbraw/zinc/26/21/41/370262141.db2.gz KWHIORFDYCBJCD-UHFFFAOYSA-N 1 0 265.357 2.416 20 5 CEBDRO Cc1c(CN2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074362 370357746 /nfs/dbraw/zinc/35/77/46/370357746.db2.gz MMTUDTPZFVVSHV-GWCFXTLKSA-N 1 0 263.341 2.072 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354352552 370328361 /nfs/dbraw/zinc/32/83/61/370328361.db2.gz IFYRDTWNMMIYHI-NWDGAFQWSA-N 1 0 278.356 2.299 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000226253189 370333538 /nfs/dbraw/zinc/33/35/38/370333538.db2.gz TVKKSKVISNIVCG-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000228166156 370399384 /nfs/dbraw/zinc/39/93/84/370399384.db2.gz MLXOOPVBUCHVSO-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000228166170 370399576 /nfs/dbraw/zinc/39/95/76/370399576.db2.gz MLXOOPVBUCHVSO-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000232894195 370513999 /nfs/dbraw/zinc/51/39/99/370513999.db2.gz XFGFKHXNPYERHC-MRVPVSSYSA-N 1 0 270.358 2.241 20 5 CEBDRO Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000231483697 370480262 /nfs/dbraw/zinc/48/02/62/370480262.db2.gz OAJDJGMIFZIUSP-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856588 370495966 /nfs/dbraw/zinc/49/59/66/370495966.db2.gz INOFMJJHKGLJMJ-AWEZNQCLSA-N 1 0 279.340 2.037 20 5 CEBDRO CCC1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355540918 370593012 /nfs/dbraw/zinc/59/30/12/370593012.db2.gz HIFHPFUNYHHTFU-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236625372 370599288 /nfs/dbraw/zinc/59/92/88/370599288.db2.gz BLJUMQIKVAZTFZ-ZDUSSCGKSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1nn(C)c(N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000355575729 370605271 /nfs/dbraw/zinc/60/52/71/370605271.db2.gz MWYBRHUZNSJQIV-UHFFFAOYSA-N 1 0 297.403 2.192 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000235698971 370574907 /nfs/dbraw/zinc/57/49/07/370574907.db2.gz ZJSKZSVCSDRJNB-LOWVWBTDSA-N 1 0 291.351 2.160 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247385196 371101080 /nfs/dbraw/zinc/10/10/80/371101080.db2.gz QAEKURRIHCGHSW-BXUZGUMPSA-N 1 0 291.351 2.053 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247503267 371116914 /nfs/dbraw/zinc/11/69/14/371116914.db2.gz XTPJTHKXGDIADT-NXEZZACHSA-N 1 0 297.380 2.115 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248443366 371196581 /nfs/dbraw/zinc/19/65/81/371196581.db2.gz BCTSYEQMDGZFFD-MHNGPXOMSA-N 1 0 270.354 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1[NH2+]CCCC1(C)C ZINC000235762147 189830597 /nfs/dbraw/zinc/83/05/97/189830597.db2.gz XGDBJBXTXYXNAJ-GFCCVEGCSA-N 1 0 278.356 2.488 20 5 CEBDRO C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561592 371406241 /nfs/dbraw/zinc/40/62/41/371406241.db2.gz AIEVMVZQFZPFSC-DOMZBBRYSA-N 1 0 277.368 2.197 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252538441 371455241 /nfs/dbraw/zinc/45/52/41/371455241.db2.gz AODNJKHTYOVYTB-UONOGXRCSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252641719 371460560 /nfs/dbraw/zinc/46/05/60/371460560.db2.gz MEOTXGVACJEZNT-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000361371753 371813375 /nfs/dbraw/zinc/81/33/75/371813375.db2.gz YXEZWOZUHYNMMS-ZWNOBZJWSA-N 1 0 250.298 2.377 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262061751 371815329 /nfs/dbraw/zinc/81/53/29/371815329.db2.gz RFBLXZOAUZPPIG-NEPJUHHUSA-N 1 0 263.341 2.085 20 5 CEBDRO CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000265654218 372025840 /nfs/dbraw/zinc/02/58/40/372025840.db2.gz ZMJUSZJXMKFBLJ-ZDUSSCGKSA-N 1 0 293.367 2.331 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000361663796 372013301 /nfs/dbraw/zinc/01/33/01/372013301.db2.gz WWOQMWKZRDHUNR-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000269361277 372430386 /nfs/dbraw/zinc/43/03/86/372430386.db2.gz PBAHEXXWBMTRFJ-CYBMUJFWSA-N 1 0 264.325 2.108 20 5 CEBDRO CC1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269674891 372529934 /nfs/dbraw/zinc/52/99/34/372529934.db2.gz VWSMZXKFEYNCEN-ZDUSSCGKSA-N 1 0 264.325 2.360 20 5 CEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344456475 217196531 /nfs/dbraw/zinc/19/65/31/217196531.db2.gz PSDHFGKUYOTEJS-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000270170654 372687665 /nfs/dbraw/zinc/68/76/65/372687665.db2.gz UHVCLXQWJZVKEU-JSGCOSHPSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)=CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364341224 372732753 /nfs/dbraw/zinc/73/27/53/372732753.db2.gz TZHOWWQQQPMXFN-GFCCVEGCSA-N 1 0 264.329 2.394 20 5 CEBDRO CCN1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622544 217251915 /nfs/dbraw/zinc/25/19/15/217251915.db2.gz ZLDWECKZRMWSHY-OCCSQVGLSA-N 1 0 277.368 2.067 20 5 CEBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270651147 372884010 /nfs/dbraw/zinc/88/40/10/372884010.db2.gz LVIUXZFMGDGKRW-KGLIPLIRSA-N 1 0 295.408 2.072 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353502673 220124008 /nfs/dbraw/zinc/12/40/08/220124008.db2.gz GGGIGYPSGHKVIK-VURMDHGXSA-N 1 0 264.325 2.311 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000271002059 373058319 /nfs/dbraw/zinc/05/83/19/373058319.db2.gz QJDSJDOTSUEQCX-GHMZBOCLSA-N 1 0 292.257 2.386 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(F)F ZINC000344991285 217379068 /nfs/dbraw/zinc/37/90/68/217379068.db2.gz XVENICPSSAQNBC-DJTUGOFGSA-N 1 0 286.278 2.214 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000272490670 373513369 /nfs/dbraw/zinc/51/33/69/373513369.db2.gz UJTBFVOKFRSGBH-NSHDSACASA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000272611078 373580731 /nfs/dbraw/zinc/58/07/31/373580731.db2.gz ZINHQSRUCACFCF-GFCCVEGCSA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000272545046 373544568 /nfs/dbraw/zinc/54/45/68/373544568.db2.gz LCYNKOOPNWGCGP-SNVBAGLBSA-N 1 0 289.339 2.223 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000277780879 193757452 /nfs/dbraw/zinc/75/74/52/193757452.db2.gz MFRWPWWEYCTJIK-UHFFFAOYSA-N 1 0 286.763 2.420 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276905911 374341349 /nfs/dbraw/zinc/34/13/49/374341349.db2.gz MLCHJJOWMMPQEF-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000373465391 374358859 /nfs/dbraw/zinc/35/88/59/374358859.db2.gz KVYOSGLPZBXJMT-CYBMUJFWSA-N 1 0 276.336 2.372 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964006 374361747 /nfs/dbraw/zinc/36/17/47/374361747.db2.gz VVLZTNPWQGWLBZ-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000374334919 374544518 /nfs/dbraw/zinc/54/45/18/374544518.db2.gz XYDHWFPZSKWOJF-LLVKDONJSA-N 1 0 250.298 2.063 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277719887 374622419 /nfs/dbraw/zinc/62/24/19/374622419.db2.gz JDPZWEVYTHZAHY-DGCLKSJQSA-N 1 0 264.325 2.418 20 5 CEBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377705512 374928447 /nfs/dbraw/zinc/92/84/47/374928447.db2.gz OSFPSFVMGCTHRS-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)[C@@]1(CO)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000377650271 374911021 /nfs/dbraw/zinc/91/10/21/374911021.db2.gz LTENLNWAGRGXHD-ZDUSSCGKSA-N 1 0 284.381 2.497 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280300681 375161352 /nfs/dbraw/zinc/16/13/52/375161352.db2.gz OEGJRWCHEOTQHR-RISCZKNCSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587602 375522990 /nfs/dbraw/zinc/52/29/90/375522990.db2.gz WPSUMMITLSZMIH-JOYOIKCWSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587598 375523555 /nfs/dbraw/zinc/52/35/55/375523555.db2.gz WPSUMMITLSZMIH-CABZTGNLSA-N 1 0 268.288 2.249 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000277968995 193806937 /nfs/dbraw/zinc/80/69/37/193806937.db2.gz SNXFWQCBLLGYMN-FZMZJTMJSA-N 1 0 264.325 2.418 20 5 CEBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160350 375819988 /nfs/dbraw/zinc/81/99/88/375819988.db2.gz PTBHJBJFRQVCDF-WCQYABFASA-N 1 0 292.383 2.312 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414668029 375910354 /nfs/dbraw/zinc/91/03/54/375910354.db2.gz YLULHIPHNBYUAH-AWEZNQCLSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286473279 375964456 /nfs/dbraw/zinc/96/44/56/375964456.db2.gz UIYZBBJPTNFKGA-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO Cc1c(NC(=O)NCCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000414702880 375930143 /nfs/dbraw/zinc/93/01/43/375930143.db2.gz LZRBONIJADHHKF-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414716627 375938393 /nfs/dbraw/zinc/93/83/93/375938393.db2.gz XHZBXVYNDMQSGZ-GXSJLCMTSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000261664727 190042378 /nfs/dbraw/zinc/04/23/78/190042378.db2.gz KVNDDTWGLYGRHF-UHIISALHSA-N 1 0 291.351 2.020 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414805246 375991112 /nfs/dbraw/zinc/99/11/12/375991112.db2.gz PKPKCUDIBLSYII-WDEREUQCSA-N 1 0 269.370 2.263 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000261986333 190046408 /nfs/dbraw/zinc/04/64/08/190046408.db2.gz KCKFEKMTTFSYMA-XHDPSFHLSA-N 1 0 289.335 2.313 20 5 CEBDRO CCC[C@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000287475509 376242755 /nfs/dbraw/zinc/24/27/55/376242755.db2.gz WQEVQHNTEYFBNN-AWEZNQCLSA-N 1 0 289.339 2.354 20 5 CEBDRO C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000574071540 299476177 /nfs/dbraw/zinc/47/61/77/299476177.db2.gz WPNSBPVCNMBWEY-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000289675671 376441750 /nfs/dbraw/zinc/44/17/50/376441750.db2.gz CCCRTUYCXVHVOS-ZJUUUORDSA-N 1 0 268.313 2.116 20 5 CEBDRO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000262655447 190059819 /nfs/dbraw/zinc/05/98/19/190059819.db2.gz WUTSMRSXBTWMEY-DYEKYZERSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305760142 376475071 /nfs/dbraw/zinc/47/50/71/376475071.db2.gz JKPICXRDPYIFSV-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000289779380 376496671 /nfs/dbraw/zinc/49/66/71/376496671.db2.gz KJFUTIKOVZYRTQ-LBPRGKRZSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@](F)(CO)C1 ZINC000289884507 376543199 /nfs/dbraw/zinc/54/31/99/376543199.db2.gz SHKILVSDUFPBRP-YFCVBGDOSA-N 1 0 294.326 2.404 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000311325441 376663751 /nfs/dbraw/zinc/66/37/51/376663751.db2.gz BLKCMFYEXVIEOW-YPMHNXCESA-N 1 0 264.325 2.236 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000311897891 376692550 /nfs/dbraw/zinc/69/25/50/376692550.db2.gz PXBADXMONJHVQD-LBPRGKRZSA-N 1 0 268.288 2.345 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCCCO ZINC000560025381 376707999 /nfs/dbraw/zinc/70/79/99/376707999.db2.gz QGZPLARKLYNJNN-VURMDHGXSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1csc([N+](=O)[O-])c1 ZINC000290343772 376741272 /nfs/dbraw/zinc/74/12/72/376741272.db2.gz FQRMSYDAPNILNM-CMPLNLGQSA-N 1 0 283.397 2.428 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000314316157 376768940 /nfs/dbraw/zinc/76/89/40/376768940.db2.gz YBCYYDOBCLQYJV-NEPJUHHUSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C[N@@H+]1C1CC1 ZINC000290495214 376803175 /nfs/dbraw/zinc/80/31/75/376803175.db2.gz AHUGEGMWSCJKPG-RKDXNWHRSA-N 1 0 294.330 2.353 20 5 CEBDRO CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422938565 376867525 /nfs/dbraw/zinc/86/75/25/376867525.db2.gz HEQLQKIVOMRXSB-KGLIPLIRSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1cc(NC[C@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000290938912 376992967 /nfs/dbraw/zinc/99/29/67/376992967.db2.gz KIAJAZOEPMZANQ-VIFPVBQESA-N 1 0 255.293 2.404 20 5 CEBDRO CC[C@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177536 377087055 /nfs/dbraw/zinc/08/70/55/377087055.db2.gz AWEXQKNHGJXFMP-OCCSQVGLSA-N 1 0 263.341 2.388 20 5 CEBDRO CCc1ccc([C@@H](NCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423182936 377094325 /nfs/dbraw/zinc/09/43/25/377094325.db2.gz KMXTWDSTQMWVIQ-HNNXBMFYSA-N 1 0 289.335 2.388 20 5 CEBDRO Cc1c([C@@H](C)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186555 377100225 /nfs/dbraw/zinc/10/02/25/377100225.db2.gz KJHNZTPXWYTQCT-NEPJUHHUSA-N 1 0 263.341 2.306 20 5 CEBDRO CC[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244079 377164145 /nfs/dbraw/zinc/16/41/45/377164145.db2.gz XIRSMSSAKOAIAV-TZMCWYRMSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1c([C@H](C)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244442 377164697 /nfs/dbraw/zinc/16/46/97/377164697.db2.gz XMMLOUIQBRFZRL-RYUDHWBXSA-N 1 0 263.341 2.306 20 5 CEBDRO CC[NH2+]CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423245896 377166051 /nfs/dbraw/zinc/16/60/51/377166051.db2.gz YXNAMJORWKCCAV-AWEZNQCLSA-N 1 0 263.341 2.171 20 5 CEBDRO CC[NH2+]CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423245898 377166502 /nfs/dbraw/zinc/16/65/02/377166502.db2.gz YXNAMJORWKCCAV-CQSZACIVSA-N 1 0 263.341 2.171 20 5 CEBDRO CC[N@H+](C)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000563423021 377221340 /nfs/dbraw/zinc/22/13/40/377221340.db2.gz KIHDNPROSIPLOX-CYBMUJFWSA-N 1 0 284.381 2.141 20 5 CEBDRO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000331069782 377268703 /nfs/dbraw/zinc/26/87/03/377268703.db2.gz RNYPMNZWBWLTSH-UHFFFAOYSA-N 1 0 266.345 2.481 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(F)c1 ZINC000563709075 377282361 /nfs/dbraw/zinc/28/23/61/377282361.db2.gz PCYRXUVIMWXNPR-RISCZKNCSA-N 1 0 280.299 2.345 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000425922768 377387630 /nfs/dbraw/zinc/38/76/30/377387630.db2.gz FHLHFNUUWNRXPX-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000564451216 377394330 /nfs/dbraw/zinc/39/43/30/377394330.db2.gz JMANOCQAEBEFIH-ZJUUUORDSA-N 1 0 290.323 2.280 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(Cc3ccccc3[N+](=O)[O-])nc21 ZINC000564840933 377474056 /nfs/dbraw/zinc/47/40/56/377474056.db2.gz ZIAJYWCIVLTNSE-GFCCVEGCSA-N 1 0 272.308 2.176 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000293788095 377758050 /nfs/dbraw/zinc/75/80/50/377758050.db2.gz UCQUBAZFAHGJFV-UPJWGTAASA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293998220 377864184 /nfs/dbraw/zinc/86/41/84/377864184.db2.gz CJTDGYPUJDLTBA-OUJBWJOFSA-N 1 0 279.340 2.253 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442919516 378018110 /nfs/dbraw/zinc/01/81/10/378018110.db2.gz JKNBYTXEUQTACU-ZDUSSCGKSA-N 1 0 277.368 2.464 20 5 CEBDRO C[C@H](CCCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294662557 378004295 /nfs/dbraw/zinc/00/42/95/378004295.db2.gz AHTQEUUKNCWSOU-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447577945 378119348 /nfs/dbraw/zinc/11/93/48/378119348.db2.gz CERHXLQLSPDGPX-YNEHKIRRSA-N 1 0 296.371 2.026 20 5 CEBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295317512 378102027 /nfs/dbraw/zinc/10/20/27/378102027.db2.gz SIRGYNQIZUWNIO-UHFFFAOYSA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296229335 378460889 /nfs/dbraw/zinc/46/08/89/378460889.db2.gz DTAQAMITEXVRDD-LLVKDONJSA-N 1 0 291.311 2.001 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602351 378588463 /nfs/dbraw/zinc/58/84/63/378588463.db2.gz VRTHLVWJKIQDII-NOZJJQNGSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346617359 217963344 /nfs/dbraw/zinc/96/33/44/217963344.db2.gz CQMVOBHWSZZINQ-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000298370765 378708551 /nfs/dbraw/zinc/70/85/51/378708551.db2.gz VCIPIVQZWWEQQK-UHFFFAOYSA-N 1 0 297.380 2.262 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000453209539 378829460 /nfs/dbraw/zinc/82/94/60/378829460.db2.gz LPKGYPLYFQKSIC-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453374240 378877306 /nfs/dbraw/zinc/87/73/06/378877306.db2.gz VZZITKWFPOBJPQ-RBSFLKMASA-N 1 0 294.351 2.439 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000347264060 218174115 /nfs/dbraw/zinc/17/41/15/218174115.db2.gz NHSBMMADDUNGIA-BXUZGUMPSA-N 1 0 292.335 2.287 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278851647 194183086 /nfs/dbraw/zinc/18/30/86/194183086.db2.gz QLLZPXUGNJLWFB-SLEUVZQESA-N 1 0 294.351 2.094 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000278881380 194195100 /nfs/dbraw/zinc/19/51/00/194195100.db2.gz ZOIWWYUIISAMFP-SNVBAGLBSA-N 1 0 290.241 2.492 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)CC1 ZINC000266520786 190263004 /nfs/dbraw/zinc/26/30/04/190263004.db2.gz ICRVNNLXHYWXQM-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000301293814 379248392 /nfs/dbraw/zinc/24/83/92/379248392.db2.gz OKBYWKAAPIUXSQ-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000517027754 379337274 /nfs/dbraw/zinc/33/72/74/379337274.db2.gz RSXMMGOPXCJPME-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]2CCC1CC2 ZINC000302782127 379449125 /nfs/dbraw/zinc/44/91/25/379449125.db2.gz SIIRJAGEUDROJI-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO COCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266883126 190287041 /nfs/dbraw/zinc/28/70/41/190287041.db2.gz BBKHETWJHOQCJU-UHFFFAOYSA-N 1 0 258.705 2.326 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000457204602 379712917 /nfs/dbraw/zinc/71/29/17/379712917.db2.gz JSOYOXISXJTPBE-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COc1cc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000268165542 190382130 /nfs/dbraw/zinc/38/21/30/190382130.db2.gz OTCYQOHONJSCMK-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)C1 ZINC000488739485 380127332 /nfs/dbraw/zinc/12/73/32/380127332.db2.gz WMVOUIBVZOXTNQ-MBNYWOFBSA-N 1 0 290.367 2.156 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491889747 380373546 /nfs/dbraw/zinc/37/35/46/380373546.db2.gz WEQMOOKYABWUQC-BQYQJAHWSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1cc(C(=O)NC2(C[NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000281096914 195103311 /nfs/dbraw/zinc/10/33/11/195103311.db2.gz PRFAKYJUEQWHEN-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COCCOCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177146 285090392 /nfs/dbraw/zinc/09/03/92/285090392.db2.gz AFTGZIORHPKYEV-GFCCVEGCSA-N 1 0 282.340 2.299 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000302823452 285119077 /nfs/dbraw/zinc/11/90/77/285119077.db2.gz UTMTZBDGXNJYPK-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000350052088 218978161 /nfs/dbraw/zinc/97/81/61/218978161.db2.gz WGCXXYCGTYOPDN-UHFFFAOYSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000289153382 197248064 /nfs/dbraw/zinc/24/80/64/197248064.db2.gz VORJBYHCWJYHNW-JTQLQIEISA-N 1 0 294.355 2.283 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000353878542 220384424 /nfs/dbraw/zinc/38/44/24/220384424.db2.gz FCSDEANEZFOJPX-GFCCVEGCSA-N 1 0 250.298 2.124 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCF)CC1 ZINC000178672367 285163627 /nfs/dbraw/zinc/16/36/27/285163627.db2.gz SBTILUMAXSEDPO-UHFFFAOYSA-N 1 0 267.304 2.076 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000414885571 285161459 /nfs/dbraw/zinc/16/14/59/285161459.db2.gz PGMDGDXECKLAAB-NWANDNLSSA-N 1 0 289.379 2.258 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829809 285167002 /nfs/dbraw/zinc/16/70/02/285167002.db2.gz BQOTWVYMBDJZOC-GHMZBOCLSA-N 1 0 262.313 2.029 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000413069215 285181085 /nfs/dbraw/zinc/18/10/85/285181085.db2.gz YSHIIHCNCHPHOK-NXEZZACHSA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000356837069 533399294 /nfs/dbraw/zinc/39/92/94/533399294.db2.gz CXSBWESVBCGQTK-OLZOCXBDSA-N 1 0 294.351 2.378 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000211108798 394448089 /nfs/dbraw/zinc/44/80/89/394448089.db2.gz UYQLRJCJPYIMFD-TWGQIWQCSA-N 1 0 291.351 2.051 20 5 CEBDRO CCC[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301273940 394459378 /nfs/dbraw/zinc/45/93/78/394459378.db2.gz IGRXJQOCQFSQNY-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000413052581 394475028 /nfs/dbraw/zinc/47/50/28/394475028.db2.gz MMWAICDHBDPBAN-SSDOTTSWSA-N 1 0 292.261 2.371 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228763 394503259 /nfs/dbraw/zinc/50/32/59/394503259.db2.gz QFDAKJGXFWBRSI-WDEREUQCSA-N 1 0 282.315 2.469 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000044534318 394507278 /nfs/dbraw/zinc/50/72/78/394507278.db2.gz AIOVMDAKLKIRQQ-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000421707982 394572109 /nfs/dbraw/zinc/57/21/09/394572109.db2.gz YUDNDJZLWSLKBY-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070176744 394585274 /nfs/dbraw/zinc/58/52/74/394585274.db2.gz LYJASWWUDPORIK-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070176053 394585749 /nfs/dbraw/zinc/58/57/49/394585749.db2.gz NTHIRNNCTBNSFV-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000355793946 394533395 /nfs/dbraw/zinc/53/33/95/394533395.db2.gz YHRMVXBAGHHGPF-AGIUHOORSA-N 1 0 293.367 2.123 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000266424134 394665151 /nfs/dbraw/zinc/66/51/51/394665151.db2.gz SIUUQUSIINLZIA-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422710280 394733064 /nfs/dbraw/zinc/73/30/64/394733064.db2.gz FOROWZIXHIBUQZ-KGLIPLIRSA-N 1 0 293.367 2.224 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111829435 394741832 /nfs/dbraw/zinc/74/18/32/394741832.db2.gz OTGUGXYYHCEHGO-KTRBRXNASA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398873 394720391 /nfs/dbraw/zinc/72/03/91/394720391.db2.gz JUGLYUPGAQABLU-MDZLAQPJSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000422632908 394722310 /nfs/dbraw/zinc/72/23/10/394722310.db2.gz NKWPKPRXEUOEBN-NEPJUHHUSA-N 1 0 291.351 2.034 20 5 CEBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000271760768 394762918 /nfs/dbraw/zinc/76/29/18/394762918.db2.gz YOPIDZDKKIZRLM-UHFFFAOYSA-N 1 0 289.257 2.364 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000422774284 394774434 /nfs/dbraw/zinc/77/44/34/394774434.db2.gz WLIMUKHGJUCGKO-LLVKDONJSA-N 1 0 291.351 2.139 20 5 CEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000273179687 394784374 /nfs/dbraw/zinc/78/43/74/394784374.db2.gz GKEKOWSFJLETSW-LLVKDONJSA-N 1 0 293.367 2.378 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414910383 394800184 /nfs/dbraw/zinc/80/01/84/394800184.db2.gz CNYGMAUHVXNFGE-UDGJJRABSA-N 1 0 275.352 2.196 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414934779 394811064 /nfs/dbraw/zinc/81/10/64/394811064.db2.gz YEPDKDFAEOUBSZ-OLZOCXBDSA-N 1 0 293.367 2.353 20 5 CEBDRO [NH3+]C[C@H](NCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000415063673 394870582 /nfs/dbraw/zinc/87/05/82/394870582.db2.gz IQPYYRMIAJWEKG-NSHDSACASA-N 1 0 269.370 2.263 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278349056 394830015 /nfs/dbraw/zinc/83/00/15/394830015.db2.gz CXZPZBJZALRJRV-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278560926 394831995 /nfs/dbraw/zinc/83/19/95/394831995.db2.gz WOUJFKRDCATYAE-SNVBAGLBSA-N 1 0 289.339 2.366 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCNCC1(F)F ZINC000415011371 394848526 /nfs/dbraw/zinc/84/85/26/394848526.db2.gz ZYRSIVBWJDIGPE-GFCCVEGCSA-N 1 0 299.321 2.238 20 5 CEBDRO CN(C(=O)C[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000282009145 394894598 /nfs/dbraw/zinc/89/45/98/394894598.db2.gz YIDZIMXMTZVRPR-UHFFFAOYSA-N 1 0 291.351 2.434 20 5 CEBDRO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139324 394902676 /nfs/dbraw/zinc/90/26/76/394902676.db2.gz ZLLVJCXCXQGENQ-RISCZKNCSA-N 1 0 277.368 2.320 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482809 394930550 /nfs/dbraw/zinc/93/05/50/394930550.db2.gz RBLQMRDDSWDBGX-SKDRFNHKSA-N 1 0 285.294 2.243 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415423649 394931065 /nfs/dbraw/zinc/93/10/65/394931065.db2.gz ZEWKRJSHIUCHMX-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000415430254 394931777 /nfs/dbraw/zinc/93/17/77/394931777.db2.gz JGMVMOMJZOGEHD-JQWIXIFHSA-N 1 0 292.339 2.165 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000415502806 394938287 /nfs/dbraw/zinc/93/82/87/394938287.db2.gz OCALZFJVHMCMKU-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415577966 394945020 /nfs/dbraw/zinc/94/50/20/394945020.db2.gz HYQGVLOLWYJJIE-VIFPVBQESA-N 1 0 294.355 2.189 20 5 CEBDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543393 394948740 /nfs/dbraw/zinc/94/87/40/394948740.db2.gz BRZFGPQFBZGUOG-DGCLKSJQSA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543394 394948880 /nfs/dbraw/zinc/94/88/80/394948880.db2.gz BRZFGPQFBZGUOG-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000423842226 395000597 /nfs/dbraw/zinc/00/05/97/395000597.db2.gz KCYWXQALIMYUTI-GFCCVEGCSA-N 1 0 297.742 2.007 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000342609286 395017769 /nfs/dbraw/zinc/01/77/69/395017769.db2.gz UYOPRKHCQSBCIQ-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000519754950 395220465 /nfs/dbraw/zinc/22/04/65/395220465.db2.gz ZOROSICZKBWQPM-IUODEOHRSA-N 1 0 298.346 2.331 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353331886 395294155 /nfs/dbraw/zinc/29/41/55/395294155.db2.gz WVTILOZJTQYAQD-OAHLLOKOSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CC[C@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000187681583 395303616 /nfs/dbraw/zinc/30/36/16/395303616.db2.gz MSDQRYVCNFXVRV-VIFPVBQESA-N 1 0 253.327 2.034 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058862 395258810 /nfs/dbraw/zinc/25/88/10/395258810.db2.gz KWPRTJKHNJBRJG-DGCLKSJQSA-N 1 0 250.298 2.170 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420374081 395361110 /nfs/dbraw/zinc/36/11/10/395361110.db2.gz RVTKNVBBYUXIHV-FIXISWKDSA-N 1 0 293.367 2.080 20 5 CEBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000193067224 395400985 /nfs/dbraw/zinc/40/09/85/395400985.db2.gz QECQJSDSJUAEMB-CYBMUJFWSA-N 1 0 291.351 2.073 20 5 CEBDRO CC(C)(NC(=O)CC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000566474462 395529143 /nfs/dbraw/zinc/52/91/43/395529143.db2.gz QHXSGICMVDSBTQ-UHFFFAOYSA-N 1 0 291.351 2.088 20 5 CEBDRO CCC1(CC)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000446730411 395496970 /nfs/dbraw/zinc/49/69/70/395496970.db2.gz VTDCTWMPTSFKFO-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449508280 395551739 /nfs/dbraw/zinc/55/17/39/395551739.db2.gz UXSGCBITSIFMIB-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H]1OCC ZINC000574025067 395624559 /nfs/dbraw/zinc/62/45/59/395624559.db2.gz YNPBGAORHCIBTG-GXTWGEPZSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000574401899 395629405 /nfs/dbraw/zinc/62/94/05/395629405.db2.gz AOZNWLJODNBVMF-NHYWBVRUSA-N 1 0 291.351 2.223 20 5 CEBDRO CCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000135226607 400280885 /nfs/dbraw/zinc/28/08/85/400280885.db2.gz NSVCLBWWFXXZMI-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000312371965 289281189 /nfs/dbraw/zinc/28/11/89/289281189.db2.gz DVOKIDQACXIOES-AWEZNQCLSA-N 1 0 279.315 2.232 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000088147730 292281889 /nfs/dbraw/zinc/28/18/89/292281889.db2.gz GEKNORZECGPTOO-DGCLKSJQSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000221345561 153312728 /nfs/dbraw/zinc/31/27/28/153312728.db2.gz FYOVKMXAOHMGJU-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000235442560 153434565 /nfs/dbraw/zinc/43/45/65/153434565.db2.gz LJUTWLKROFCCFY-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000360892718 155397133 /nfs/dbraw/zinc/39/71/33/155397133.db2.gz WCQLLMWSPVSXOZ-UHFFFAOYSA-N 1 0 295.387 2.408 20 5 CEBDRO CCc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000261846084 153857969 /nfs/dbraw/zinc/85/79/69/153857969.db2.gz SLEFROKIKBUERE-SECBINFHSA-N 1 0 290.323 2.358 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261876477 153865882 /nfs/dbraw/zinc/86/58/82/153865882.db2.gz ZURGYKHLOFIFGY-GXFFZTMASA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000375003796 157038377 /nfs/dbraw/zinc/03/83/77/157038377.db2.gz LODFOPOLHLYSPM-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[C@H]([NH2+]CCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148654012 162300692 /nfs/dbraw/zinc/30/06/92/162300692.db2.gz KXCKQSWPDOTNRF-ZDUSSCGKSA-N 1 0 289.339 2.007 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248375758 162500376 /nfs/dbraw/zinc/50/03/76/162500376.db2.gz XWUOLIPUHICLTO-YNEHKIRRSA-N 1 0 296.367 2.359 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000169015802 165036417 /nfs/dbraw/zinc/03/64/17/165036417.db2.gz PYZGOVDMSWYXEL-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176207170 165158957 /nfs/dbraw/zinc/15/89/57/165158957.db2.gz USTGQMYJJIAHDX-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302608 196245618 /nfs/dbraw/zinc/24/56/18/196245618.db2.gz SDMNIPPFACUOEG-DTWKUNHWSA-N 1 0 275.312 2.312 20 5 CEBDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037152095 172986745 /nfs/dbraw/zinc/98/67/45/172986745.db2.gz PPRODAVHKRRXPE-XSRFYTQQSA-N 1 0 291.351 2.290 20 5 CEBDRO COc1ccc(C[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000037180577 173012665 /nfs/dbraw/zinc/01/26/65/173012665.db2.gz QJLVVVNLGUKXQW-UHFFFAOYSA-N 1 0 250.298 2.493 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038044393 174052087 /nfs/dbraw/zinc/05/20/87/174052087.db2.gz SOVQYFYKONFVGM-GFCCVEGCSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669980 174368531 /nfs/dbraw/zinc/36/85/31/174368531.db2.gz MTGXVJRNCDJWGM-RISCZKNCSA-N 1 0 293.371 2.307 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000044538026 175200003 /nfs/dbraw/zinc/20/00/03/175200003.db2.gz WFHVRQLIGRNCDC-SNVBAGLBSA-N 1 0 267.304 2.488 20 5 CEBDRO COCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044657526 175225943 /nfs/dbraw/zinc/22/59/43/175225943.db2.gz QFDUUAOAGNMQQJ-UHFFFAOYSA-N 1 0 252.314 2.419 20 5 CEBDRO COCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045037819 175294206 /nfs/dbraw/zinc/29/42/06/175294206.db2.gz CGFQUTULHIQJML-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000046468561 175397068 /nfs/dbraw/zinc/39/70/68/175397068.db2.gz CEDVRZGYVBIRJF-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063195751 175684734 /nfs/dbraw/zinc/68/47/34/175684734.db2.gz BXVYUMJXRCDENM-RISCZKNCSA-N 1 0 293.367 2.305 20 5 CEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071315288 176121498 /nfs/dbraw/zinc/12/14/98/176121498.db2.gz SJMGYUZWGODGPX-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072067347 176312122 /nfs/dbraw/zinc/31/21/22/176312122.db2.gz DLKICNXRVPNDBY-UHFFFAOYSA-N 1 0 292.339 2.058 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072121241 176319928 /nfs/dbraw/zinc/31/99/28/176319928.db2.gz YDXFJTQDVRZIMF-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000078428159 177340812 /nfs/dbraw/zinc/34/08/12/177340812.db2.gz WYWZLGWWAUZVNU-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000078542636 177352030 /nfs/dbraw/zinc/35/20/30/177352030.db2.gz JWOZFPHTHKSKPZ-ZDUSSCGKSA-N 1 0 267.304 2.486 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447604224 260077755 /nfs/dbraw/zinc/07/77/55/260077755.db2.gz ZIIILJHLPZVOJH-WUHRBBMRSA-N 1 0 296.371 2.024 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000521413992 262317867 /nfs/dbraw/zinc/31/78/67/262317867.db2.gz JICVQFFGFMTYMQ-AWEZNQCLSA-N 1 0 279.315 2.314 20 5 CEBDRO CC[NH+](CC)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000029161408 262372919 /nfs/dbraw/zinc/37/29/19/262372919.db2.gz DOFACRXNIOOTKQ-UHFFFAOYSA-N 1 0 283.357 2.058 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000425969676 264249033 /nfs/dbraw/zinc/24/90/33/264249033.db2.gz XEVBIEAPTITTRG-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CCO)CC1 ZINC000189995691 270265577 /nfs/dbraw/zinc/26/55/77/270265577.db2.gz ZKVWHESRRZEFTG-HWKANZROSA-N 1 0 276.336 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCO)CCC2 ZINC000194212608 270294505 /nfs/dbraw/zinc/29/45/05/270294505.db2.gz LUKHDZKZYWKQKP-AWEZNQCLSA-N 1 0 264.325 2.334 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000397477631 270353912 /nfs/dbraw/zinc/35/39/12/270353912.db2.gz IQHKQGNZIMSOFZ-KXUCPTDWSA-N 1 0 297.380 2.102 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C[NH3+] ZINC000397477634 270353923 /nfs/dbraw/zinc/35/39/23/270353923.db2.gz IQHKQGNZIMSOFZ-OPRDCNLKSA-N 1 0 297.380 2.102 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885815 270364470 /nfs/dbraw/zinc/36/44/70/270364470.db2.gz BXLRHLCMGIGSJQ-YPMHNXCESA-N 1 0 278.352 2.354 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420240090 270491622 /nfs/dbraw/zinc/49/16/22/270491622.db2.gz QPXLPHAFTAZNTB-GHMZBOCLSA-N 1 0 293.323 2.063 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425362233 271159361 /nfs/dbraw/zinc/15/93/61/271159361.db2.gz ZVTNOIYLQCNPCN-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1c(F)cccc1[N+](=O)[O-] ZINC000430575117 271393003 /nfs/dbraw/zinc/39/30/03/271393003.db2.gz JVGDACDOYGPGPJ-CYBMUJFWSA-N 1 0 269.320 2.197 20 5 CEBDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432420805 271492438 /nfs/dbraw/zinc/49/24/38/271492438.db2.gz MSLMZBGRCPSNIO-CDWSIMAYSA-N 1 0 264.325 2.406 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000263980864 273808700 /nfs/dbraw/zinc/80/87/00/273808700.db2.gz BFZCVHTXBGUNHK-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CO ZINC000271174978 276573660 /nfs/dbraw/zinc/57/36/60/276573660.db2.gz UUBDGLSYGJTSAW-WDEREUQCSA-N 1 0 284.381 2.436 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375035459 277145940 /nfs/dbraw/zinc/14/59/40/277145940.db2.gz FOHYYDVMIMTTBU-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414480910 277234844 /nfs/dbraw/zinc/23/48/44/277234844.db2.gz KQEHELFDMVRSHS-LLVKDONJSA-N 1 0 252.314 2.357 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133239029 277278950 /nfs/dbraw/zinc/27/89/50/277278950.db2.gz NBACQXHMNZIDMV-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123602723 277285630 /nfs/dbraw/zinc/28/56/30/277285630.db2.gz WIWSMUUXYMCQDR-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000347796701 278167594 /nfs/dbraw/zinc/16/75/94/278167594.db2.gz VMCOGHPWVWUSAN-KBPBESRZSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230197 278290689 /nfs/dbraw/zinc/29/06/89/278290689.db2.gz ZXWGHRUZMHQZBQ-TVQRCGJNSA-N 1 0 264.325 2.288 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070148869 278585078 /nfs/dbraw/zinc/58/50/78/278585078.db2.gz ALMAZBQQDQAHMZ-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000359070850 278894100 /nfs/dbraw/zinc/89/41/00/278894100.db2.gz ZOQWFDHLCVQOGO-LLVKDONJSA-N 1 0 281.331 2.308 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000289574518 278946837 /nfs/dbraw/zinc/94/68/37/278946837.db2.gz ACSVQZHPQDTGHL-KKUMJFAQSA-N 1 0 294.351 2.439 20 5 CEBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000296465465 279024824 /nfs/dbraw/zinc/02/48/24/279024824.db2.gz XMQJDFVOTFXRBI-AWEZNQCLSA-N 1 0 293.367 2.187 20 5 CEBDRO Cc1cccc(NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000133467179 279998692 /nfs/dbraw/zinc/99/86/92/279998692.db2.gz NXWBUOWHERSLHY-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070176370 280326867 /nfs/dbraw/zinc/32/68/67/280326867.db2.gz PTACHKGCMURKLM-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235658564 280335795 /nfs/dbraw/zinc/33/57/95/280335795.db2.gz SOHPFHAXTKYKEQ-GWCFXTLKSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000094368154 280364452 /nfs/dbraw/zinc/36/44/52/280364452.db2.gz UGMKCVBDLDRMHL-HIFRSBDPSA-N 1 0 292.335 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000363788134 281011082 /nfs/dbraw/zinc/01/10/82/281011082.db2.gz YRTJYXCQRMBYOU-UHFFFAOYSA-N 1 0 292.383 2.466 20 5 CEBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)CCCCC1 ZINC000424347776 281151445 /nfs/dbraw/zinc/15/14/45/281151445.db2.gz SFWORTXXPBCIGF-UHFFFAOYSA-N 1 0 277.284 2.091 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000444260403 281588317 /nfs/dbraw/zinc/58/83/17/281588317.db2.gz SCKRURKEUSMKRS-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526950 281832132 /nfs/dbraw/zinc/83/21/32/281832132.db2.gz FJUCRUBEGIRQMM-DYEKYZERSA-N 1 0 296.371 2.026 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208078 290160550 /nfs/dbraw/zinc/16/05/50/290160550.db2.gz PTQRIEDSZDAXEA-BXUZGUMPSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286389884 297263743 /nfs/dbraw/zinc/26/37/43/297263743.db2.gz OWFBAWRRVHPRBG-DGCLKSJQSA-N 1 0 290.367 2.240 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670570 297580141 /nfs/dbraw/zinc/58/01/41/297580141.db2.gz PWPSHXKPQKEVES-SMDDNHRTSA-N 1 0 286.335 2.457 20 5 CEBDRO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000531575559 298111743 /nfs/dbraw/zinc/11/17/43/298111743.db2.gz BLQRWXFBFJFCPL-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000531714842 298117178 /nfs/dbraw/zinc/11/71/78/298117178.db2.gz WZLCNVZZQKFJCU-LLVKDONJSA-N 1 0 264.325 2.469 20 5 CEBDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540169197 298263415 /nfs/dbraw/zinc/26/34/15/298263415.db2.gz ADOFDYNXCUHIRR-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000546678988 298357346 /nfs/dbraw/zinc/35/73/46/298357346.db2.gz VCQCMHMEZPGJKX-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO CCC(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565535259 298908297 /nfs/dbraw/zinc/90/82/97/298908297.db2.gz LRPYNQNBQPBIIB-CYBMUJFWSA-N 1 0 296.367 2.360 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000566305289 298965721 /nfs/dbraw/zinc/96/57/21/298965721.db2.gz WMCOEHJJLGVNLO-FZMZJTMJSA-N 1 0 296.367 2.490 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566556555 299002403 /nfs/dbraw/zinc/00/24/03/299002403.db2.gz OWFIWBQYGQTBOZ-FZMZJTMJSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408172668 301205029 /nfs/dbraw/zinc/20/50/29/301205029.db2.gz ZCDPSGSYAVUSRD-QWHCGFSZSA-N 1 0 290.367 2.137 20 5 CEBDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000524771241 313142797 /nfs/dbraw/zinc/14/27/97/313142797.db2.gz HSBWAPZZLCPXDG-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000532248274 313343686 /nfs/dbraw/zinc/34/36/86/313343686.db2.gz SNFXJDMAMBLGRZ-RISCZKNCSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H]1CC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000580694465 322335484 /nfs/dbraw/zinc/33/54/84/322335484.db2.gz XKZYBFUKWZDXDL-IUCAKERBSA-N 1 0 290.323 2.261 20 5 CEBDRO C[C@@H]1C[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000580694462 322335733 /nfs/dbraw/zinc/33/57/33/322335733.db2.gz XKZYBFUKWZDXDL-ILWJIGKKSA-N 1 0 290.323 2.261 20 5 CEBDRO C[C@@H](O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000580948171 322356737 /nfs/dbraw/zinc/35/67/37/322356737.db2.gz GMPCEMBQSCWWTE-RKDXNWHRSA-N 1 0 272.732 2.150 20 5 CEBDRO CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000560502862 327315941 /nfs/dbraw/zinc/31/59/41/327315941.db2.gz OMYSGXDHBXLVGR-ALCCZGGFSA-N 1 0 275.352 2.292 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000150284273 521047727 /nfs/dbraw/zinc/04/77/27/521047727.db2.gz IJCMHGHJLFDFEE-NSHDSACASA-N 1 0 280.328 2.234 20 5 CEBDRO Cc1c(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000405196168 533849960 /nfs/dbraw/zinc/84/99/60/533849960.db2.gz BXYBRZCHPVMIGM-WCQYABFASA-N 1 0 291.351 2.037 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161538023 520735543 /nfs/dbraw/zinc/73/55/43/520735543.db2.gz TYQBQLUEXJWAPA-JTQLQIEISA-N 1 0 266.345 2.440 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000067651435 522911524 /nfs/dbraw/zinc/91/15/24/522911524.db2.gz VBMCWLWSNXMXHT-CQSZACIVSA-N 1 0 280.324 2.084 20 5 CEBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458498 523069838 /nfs/dbraw/zinc/06/98/38/523069838.db2.gz ZMAISRUUDNGVCE-UHFFFAOYSA-N 1 0 280.324 2.368 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000414664021 534725011 /nfs/dbraw/zinc/72/50/11/534725011.db2.gz SRJDMZMMNPNWKB-QWRGUYRKSA-N 1 0 292.339 2.234 20 5 CEBDRO C[NH+]1CCC(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000156416347 523764955 /nfs/dbraw/zinc/76/49/55/523764955.db2.gz DADCBJIPPASLMQ-UHFFFAOYSA-N 1 0 267.304 2.488 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOCC1 ZINC000364877445 525562698 /nfs/dbraw/zinc/56/26/98/525562698.db2.gz GAEMUSVMCCZSIX-UHFFFAOYSA-N 1 0 250.298 2.126 20 5 CEBDRO CC(C)(NC(=O)C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000162242396 527269782 /nfs/dbraw/zinc/26/97/82/527269782.db2.gz RICHCDLTCGOKLE-GFCCVEGCSA-N 1 0 291.351 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c2nonc21 ZINC000049575268 527364081 /nfs/dbraw/zinc/36/40/81/527364081.db2.gz VITYUPWCXDBHBO-UHFFFAOYSA-N 1 0 291.311 2.029 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000365337981 527417033 /nfs/dbraw/zinc/41/70/33/527417033.db2.gz RNSPJXJUVQBBHE-GXTWGEPZSA-N 1 0 292.339 2.121 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](CC)C1CC1 ZINC000192556855 528517217 /nfs/dbraw/zinc/51/72/17/528517217.db2.gz PWURPYVVECOLEV-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357547111 528833211 /nfs/dbraw/zinc/83/32/11/528833211.db2.gz LIJAMCXHRKJUDG-JTQLQIEISA-N 1 0 252.318 2.130 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000726130477 574424149 /nfs/dbraw/zinc/42/41/49/574424149.db2.gz HKYDJUAKIOLMIX-UHFFFAOYSA-N 1 0 296.396 2.221 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000742236759 575012378 /nfs/dbraw/zinc/01/23/78/575012378.db2.gz FQJHWZCZGWDUHN-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000744409617 575120969 /nfs/dbraw/zinc/12/09/69/575120969.db2.gz ANYAQXJGCDPTSB-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccs2)c1 ZINC000749645865 575228381 /nfs/dbraw/zinc/22/83/81/575228381.db2.gz IILSZLQFXFXWDE-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO CC1(C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750109974 575247943 /nfs/dbraw/zinc/24/79/43/575247943.db2.gz YQKVFQZKPKOZSO-LBPRGKRZSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751923282 575301297 /nfs/dbraw/zinc/30/12/97/575301297.db2.gz ASULATHDJKZWBY-NSHDSACASA-N 1 0 287.323 2.295 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345765 622640716 /nfs/dbraw/zinc/64/07/16/622640716.db2.gz PRHBAIBOZCUTRD-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000235723282 623146578 /nfs/dbraw/zinc/14/65/78/623146578.db2.gz ZBAVKYPHFLBGRB-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050370382 623402483 /nfs/dbraw/zinc/40/24/83/623402483.db2.gz YFFLINBGNHXNCC-AAEUAGOBSA-N 1 0 250.298 2.252 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000307897733 623425957 /nfs/dbraw/zinc/42/59/57/623425957.db2.gz NXAQCPLDKQJYER-NSHDSACASA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000261937955 623687144 /nfs/dbraw/zinc/68/71/44/623687144.db2.gz MHIJQWCHKVXYRH-CABZTGNLSA-N 1 0 283.759 2.417 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000891603610 623820533 /nfs/dbraw/zinc/82/05/33/623820533.db2.gz ZPWWZOICKRWSDK-SNVBAGLBSA-N 1 0 298.364 2.246 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122426 624245758 /nfs/dbraw/zinc/24/57/58/624245758.db2.gz TVVBAFIHCQKRBA-YPMHNXCESA-N 1 0 291.307 2.345 20 5 CEBDRO C[NH+](C)CC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000923773491 624337994 /nfs/dbraw/zinc/33/79/94/624337994.db2.gz LKQRSILUEONBBT-UHFFFAOYSA-N 1 0 288.307 2.238 20 5 CEBDRO COc1ccc(NC(=O)CCCCC[NH3+])cc1[N+](=O)[O-] ZINC000312179660 628172683 /nfs/dbraw/zinc/17/26/83/628172683.db2.gz INUMFGCJKWHJOL-UHFFFAOYSA-N 1 0 281.312 2.061 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178356525 628193014 /nfs/dbraw/zinc/19/30/14/628193014.db2.gz SXIFFHRWVXUZLV-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278591 628231935 /nfs/dbraw/zinc/23/19/35/628231935.db2.gz HQWZAVBGFOKFCK-UWVGGRQHSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902472885 634664010 /nfs/dbraw/zinc/66/40/10/634664010.db2.gz KKMZFHHYLRLZMT-QIRAZROLSA-N 1 0 261.325 2.138 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000104128416 628580320 /nfs/dbraw/zinc/58/03/20/628580320.db2.gz SFZPALPRTRKJAP-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054131659 628981457 /nfs/dbraw/zinc/98/14/57/628981457.db2.gz WZYWXQSGJCDKQR-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181816 628983808 /nfs/dbraw/zinc/98/38/08/628983808.db2.gz DRWBSENCTPNMNK-WDEREUQCSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940339 629055645 /nfs/dbraw/zinc/05/56/45/629055645.db2.gz MWNJFIXSTWEBOB-QMTHXVAHSA-N 1 0 279.315 2.183 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000893941903 629056697 /nfs/dbraw/zinc/05/66/97/629056697.db2.gz XIZUALKRKGEILF-BDJLRTHQSA-N 1 0 298.346 2.283 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000894692165 629591098 /nfs/dbraw/zinc/59/10/98/629591098.db2.gz PEWMNIYDQPYAQY-JTQLQIEISA-N 1 0 298.364 2.246 20 5 CEBDRO Cc1nc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000894797706 629645864 /nfs/dbraw/zinc/64/58/64/629645864.db2.gz NTQNHRWMLIQFAE-GJZGRUSLSA-N 1 0 290.367 2.076 20 5 CEBDRO Cc1nc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000894797707 629646263 /nfs/dbraw/zinc/64/62/63/629646263.db2.gz NTQNHRWMLIQFAE-HUUCEWRRSA-N 1 0 290.367 2.076 20 5 CEBDRO C[NH+](C)C1(C)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000894846351 629685421 /nfs/dbraw/zinc/68/54/21/629685421.db2.gz VWJRHDZESXBEKW-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000894879945 629714769 /nfs/dbraw/zinc/71/47/69/629714769.db2.gz YXFMDFZYPZXXFR-TXEJJXNPSA-N 1 0 298.346 2.426 20 5 CEBDRO CCOC(C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OCC ZINC000796113898 629774239 /nfs/dbraw/zinc/77/42/39/629774239.db2.gz PPXFQRHGSDPQFN-UHFFFAOYSA-N 1 0 296.367 2.468 20 5 CEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC([NH3+])C1 ZINC000841233449 629816474 /nfs/dbraw/zinc/81/64/74/629816474.db2.gz UXXDXMKLHCFSLN-UHFFFAOYSA-N 1 0 298.730 2.202 20 5 CEBDRO CC1=NO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000895302956 630095153 /nfs/dbraw/zinc/09/51/53/630095153.db2.gz XYPYRFHYNIILMM-GFCCVEGCSA-N 1 0 263.297 2.158 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1[N+](=O)[O-] ZINC000895649369 630283718 /nfs/dbraw/zinc/28/37/18/630283718.db2.gz PSBSWKVHGYBVMX-IUODEOHRSA-N 1 0 276.336 2.285 20 5 CEBDRO C[C@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734967 630324689 /nfs/dbraw/zinc/32/46/89/630324689.db2.gz BGVRMODGSCBMOK-JQWIXIFHSA-N 1 0 286.335 2.069 20 5 CEBDRO C[C@@H]1[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895736877 630326417 /nfs/dbraw/zinc/32/64/17/630326417.db2.gz LZDXKHSYPDHLSI-ZWNOBZJWSA-N 1 0 286.335 2.069 20 5 CEBDRO C[C@@H]1[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C ZINC000895736891 630326695 /nfs/dbraw/zinc/32/66/95/630326695.db2.gz PMJMRSITYYFDRL-ZJUUUORDSA-N 1 0 287.323 2.043 20 5 CEBDRO CC(C)[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798855612 630941244 /nfs/dbraw/zinc/94/12/44/630941244.db2.gz RILUKJBTIMROOD-CQSZACIVSA-N 1 0 294.351 2.267 20 5 CEBDRO COC(=O)/C(C)=C\C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601817 631298258 /nfs/dbraw/zinc/29/82/58/631298258.db2.gz OWMQMRILLDDFIW-GHXNOFRVSA-N 1 0 292.335 2.188 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(C)(C)C[NH+](C)C ZINC000897419596 631338743 /nfs/dbraw/zinc/33/87/43/631338743.db2.gz NIOYDOOIDLYHTK-UHFFFAOYSA-N 1 0 297.403 2.144 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000897464058 631531823 /nfs/dbraw/zinc/53/18/23/631531823.db2.gz JZWATMICFNVQAC-JTQLQIEISA-N 1 0 261.281 2.476 20 5 CEBDRO CCC[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804331399 631664622 /nfs/dbraw/zinc/66/46/22/631664622.db2.gz OHWUBIGBJSXITQ-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO [NH3+]CCN(Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734944 632134306 /nfs/dbraw/zinc/13/43/06/632134306.db2.gz OFVOBUXYKXJCKA-UHFFFAOYSA-N 1 0 287.319 2.266 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000840268846 632586175 /nfs/dbraw/zinc/58/61/75/632586175.db2.gz IHBMCAXCEPZJLL-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812860972 632595503 /nfs/dbraw/zinc/59/55/03/632595503.db2.gz CBCYARBCIVJEEH-HUUCEWRRSA-N 1 0 294.351 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000323634650 633420646 /nfs/dbraw/zinc/42/06/46/633420646.db2.gz FXBCONMQMMXIBP-ZYHUDNBSSA-N 1 0 270.716 2.251 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817368441 633642482 /nfs/dbraw/zinc/64/24/82/633642482.db2.gz IPFACPPQWCWHMD-GFCCVEGCSA-N 1 0 264.329 2.261 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907732 633767370 /nfs/dbraw/zinc/76/73/70/633767370.db2.gz SYTCAGZNBNZRPO-NEPJUHHUSA-N 1 0 269.732 2.218 20 5 CEBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819129078 634076977 /nfs/dbraw/zinc/07/69/77/634076977.db2.gz ABZMYQCWQKROJO-GFCCVEGCSA-N 1 0 250.298 2.018 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000819194055 634099826 /nfs/dbraw/zinc/09/98/26/634099826.db2.gz OCFPQPXYKUODAJ-QMTHXVAHSA-N 1 0 275.308 2.307 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000819200194 634101984 /nfs/dbraw/zinc/10/19/84/634101984.db2.gz SLBYPONELMNSNG-NDPMZMCLSA-N 1 0 294.351 2.174 20 5 CEBDRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819246393 634115991 /nfs/dbraw/zinc/11/59/91/634115991.db2.gz AFNSEQDLOAPRIK-KGLIPLIRSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cnccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819248356 634116847 /nfs/dbraw/zinc/11/68/47/634116847.db2.gz XTQYUFVRCHMXMX-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250478 634117762 /nfs/dbraw/zinc/11/77/62/634117762.db2.gz ZIDKKSPSMKVQRS-YRGRVCCFSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000819270774 634123002 /nfs/dbraw/zinc/12/30/02/634123002.db2.gz IIBKUBYMHCVIAI-CRWXNKLISA-N 1 0 262.309 2.016 20 5 CEBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000819376524 634161253 /nfs/dbraw/zinc/16/12/53/634161253.db2.gz ZFCLDWMCSNSDTQ-GJZGRUSLSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000822509696 634933463 /nfs/dbraw/zinc/93/34/63/634933463.db2.gz MEVRNSXWTAJSJQ-OLZOCXBDSA-N 1 0 299.415 2.201 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056003 634948354 /nfs/dbraw/zinc/94/83/54/634948354.db2.gz OVRHCDWHENMROL-NXEZZACHSA-N 1 0 268.313 2.289 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000822644091 634961504 /nfs/dbraw/zinc/96/15/04/634961504.db2.gz MSGBGLJZRUAXCB-SMDDNHRTSA-N 1 0 286.291 2.112 20 5 CEBDRO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000822646816 634962128 /nfs/dbraw/zinc/96/21/28/634962128.db2.gz KKSWYMPOZKOQCL-LLVKDONJSA-N 1 0 288.307 2.036 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903114174 634978333 /nfs/dbraw/zinc/97/83/33/634978333.db2.gz VNIZCBXIQPWASV-MFKMUULPSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903125709 634982097 /nfs/dbraw/zinc/98/20/97/634982097.db2.gz NVTDSHWXJIKWTO-SNVBAGLBSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153892 634991746 /nfs/dbraw/zinc/99/17/46/634991746.db2.gz PJKVJZFDKNJRHX-CUOATXAZSA-N 1 0 294.351 2.413 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000822814713 635001859 /nfs/dbraw/zinc/00/18/59/635001859.db2.gz ULJCXYJZUHIZLV-ZDUSSCGKSA-N 1 0 299.415 2.059 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245228 635026200 /nfs/dbraw/zinc/02/62/00/635026200.db2.gz KRWQTIPBCQVPKP-MNOVXSKESA-N 1 0 289.339 2.178 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823180148 635089164 /nfs/dbraw/zinc/08/91/64/635089164.db2.gz IPAFNKAAKLMXRL-BETUJISGSA-N 1 0 299.415 2.201 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@@H]1C ZINC000903393047 635089446 /nfs/dbraw/zinc/08/94/46/635089446.db2.gz FCAAAGHYUPNGDG-OPQQBVKSSA-N 1 0 282.315 2.289 20 5 CEBDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392987 635089651 /nfs/dbraw/zinc/08/96/51/635089651.db2.gz CTARULKNYNJROR-FZMZJTMJSA-N 1 0 291.351 2.256 20 5 CEBDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393989 635090304 /nfs/dbraw/zinc/09/03/04/635090304.db2.gz WWKZRTSVQSASDP-FZMZJTMJSA-N 1 0 291.351 2.256 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903411737 635105422 /nfs/dbraw/zinc/10/54/22/635105422.db2.gz QTWSRDIFBAJPDW-YGRLFVJLSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1c(-c2noc(CC3(C[NH3+])CC3)n2)cccc1[N+](=O)[O-] ZINC000823269639 635119133 /nfs/dbraw/zinc/11/91/33/635119133.db2.gz JRTOGQREPPIWFD-UHFFFAOYSA-N 1 0 288.307 2.235 20 5 CEBDRO Cc1c(-c2noc([C@@H]3CC[NH2+][C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000823269489 635119435 /nfs/dbraw/zinc/11/94/35/635119435.db2.gz HLGWVQIBNUUYHQ-MWLCHTKSSA-N 1 0 288.307 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)o1 ZINC000823270169 635119525 /nfs/dbraw/zinc/11/95/25/635119525.db2.gz OEASHNSRLMOBOU-SSDOTTSWSA-N 1 0 264.241 2.052 20 5 CEBDRO Cc1cc(-c2noc([C@@H](C)[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270626 635120130 /nfs/dbraw/zinc/12/01/30/635120130.db2.gz UGHAKNREJDNFBG-IUCAKERBSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1cc(-c2noc(CC[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270821 635120327 /nfs/dbraw/zinc/12/03/27/635120327.db2.gz VTLFIPMZQLIBDX-VIFPVBQESA-N 1 0 276.296 2.233 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000903796996 635274464 /nfs/dbraw/zinc/27/44/64/635274464.db2.gz ZWVKHYLOSHXNIS-DZGCQCFKSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000903796839 635274618 /nfs/dbraw/zinc/27/46/18/635274618.db2.gz ZBVSEIKBMTWIED-ZFWWWQNUSA-N 1 0 275.352 2.298 20 5 CEBDRO CC(C)(CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N+](=O)[O-] ZINC000823990325 635317474 /nfs/dbraw/zinc/31/74/74/635317474.db2.gz LMMRXMFPVKHOKQ-UHFFFAOYSA-N 1 0 299.415 2.247 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987805 635407157 /nfs/dbraw/zinc/40/71/57/635407157.db2.gz JVIAKEJRVJLKAA-MDZLAQPJSA-N 1 0 263.341 2.243 20 5 CEBDRO CC(C)c1ccc(C[NH2+]CCCON)cc1[N+](=O)[O-] ZINC000904458002 635643204 /nfs/dbraw/zinc/64/32/04/635643204.db2.gz XHJFAJGDYNNJBV-UHFFFAOYSA-N 1 0 267.329 2.088 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000905047091 635787654 /nfs/dbraw/zinc/78/76/54/635787654.db2.gz RWPOQVXEWPVUEB-UHFFFAOYSA-N 1 0 277.368 2.086 20 5 CEBDRO C[NH+](C)CC1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827208125 636256730 /nfs/dbraw/zinc/25/67/30/636256730.db2.gz GWAWFNBHDXVFLL-UHFFFAOYSA-N 1 0 299.415 2.059 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905423673 636274748 /nfs/dbraw/zinc/27/47/48/636274748.db2.gz QKBDEMFQHKWZIN-VQTKUKTRSA-N 1 0 262.309 2.350 20 5 CEBDRO COC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905615876 636359376 /nfs/dbraw/zinc/35/93/76/636359376.db2.gz GCGYUXNXBJVJSW-ZFWWWQNUSA-N 1 0 296.367 2.136 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642236 636378669 /nfs/dbraw/zinc/37/86/69/636378669.db2.gz GBAVBDHNKGLDMD-STQMWFEESA-N 1 0 296.367 2.074 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000876550130 650320550 /nfs/dbraw/zinc/32/05/50/650320550.db2.gz PWOUKFIQUXNZPL-JOYOIKCWSA-N 1 0 277.324 2.215 20 5 CEBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000913400174 639272788 /nfs/dbraw/zinc/27/27/88/639272788.db2.gz HUSSMOJDPKHZPH-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102666 639577493 /nfs/dbraw/zinc/57/74/93/639577493.db2.gz IDTKRNRGPQQTGB-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841049389 639631799 /nfs/dbraw/zinc/63/17/99/639631799.db2.gz DCHSKVTXFOTWHQ-QMMMGPOBSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCCC[NH2+]C2)cc1Cl ZINC000841089410 639652944 /nfs/dbraw/zinc/65/29/44/639652944.db2.gz HBXGEYUHHMSADS-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO COCCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000841689852 639838636 /nfs/dbraw/zinc/83/86/36/639838636.db2.gz HBZXPYFWBTWSAN-UHFFFAOYSA-N 1 0 292.339 2.260 20 5 CEBDRO Cc1cnc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000877043599 650544051 /nfs/dbraw/zinc/54/40/51/650544051.db2.gz KVINDRGCJZMJEL-UHFFFAOYSA-N 1 0 293.352 2.050 20 5 CEBDRO CS[C@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877069446 650558161 /nfs/dbraw/zinc/55/81/61/650558161.db2.gz AUCXDNRWYSQFPE-PGHLRGPGSA-N 1 0 296.396 2.369 20 5 CEBDRO CCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877077523 650561951 /nfs/dbraw/zinc/56/19/51/650561951.db2.gz LOUZEXIVPILMSD-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000843127431 640294204 /nfs/dbraw/zinc/29/42/04/640294204.db2.gz QZUPQGXIWOJIOV-WCQYABFASA-N 1 0 295.770 2.432 20 5 CEBDRO CC(C)[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000843375704 640410044 /nfs/dbraw/zinc/41/00/44/640410044.db2.gz DHUPEHWFKOYZAT-CYBMUJFWSA-N 1 0 281.331 2.164 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000843388322 640413875 /nfs/dbraw/zinc/41/38/75/640413875.db2.gz ZOJJNQNINSRYAW-CYBMUJFWSA-N 1 0 283.759 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccsc2)cc1 ZINC000113711379 640439741 /nfs/dbraw/zinc/43/97/41/640439741.db2.gz OSIXQSKPTHWTMQ-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO CC(C)CSCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877122050 650582219 /nfs/dbraw/zinc/58/22/19/650582219.db2.gz GJBHOPBAAGZLBF-UHFFFAOYSA-N 1 0 298.412 2.474 20 5 CEBDRO CC[NH+](CC)CCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000844258472 640646728 /nfs/dbraw/zinc/64/67/28/640646728.db2.gz YQMLPEWIDQVMOI-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844374911 640698252 /nfs/dbraw/zinc/69/82/52/640698252.db2.gz MGBLNJZQGQSKQI-TUKIKUTGSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844472332 640741950 /nfs/dbraw/zinc/74/19/50/640741950.db2.gz WJKCMTVGLIOQBO-OLZOCXBDSA-N 1 0 298.289 2.359 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877173111 650610304 /nfs/dbraw/zinc/61/03/04/650610304.db2.gz YMQRFONEIMULPR-CMPLNLGQSA-N 1 0 299.330 2.310 20 5 CEBDRO Cc1cc(-c2noc(CC(F)(F)C[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000844921100 640866596 /nfs/dbraw/zinc/86/65/96/640866596.db2.gz YACCFBYJBPMNIM-UHFFFAOYSA-N 1 0 298.249 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc(SCC[NH+]2CCCC2)nc1 ZINC000918755407 640989791 /nfs/dbraw/zinc/98/97/91/640989791.db2.gz CAKGBACVMOEPMO-UHFFFAOYSA-N 1 0 253.327 2.178 20 5 CEBDRO C[C@@H]1[C@H](COC(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000845813058 641099122 /nfs/dbraw/zinc/09/91/22/641099122.db2.gz GTZLETYYLBHVOA-MNOVXSKESA-N 1 0 278.308 2.092 20 5 CEBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000847825206 641794714 /nfs/dbraw/zinc/79/47/14/641794714.db2.gz BZRGJPMHYLVLQH-JTQLQIEISA-N 1 0 296.298 2.233 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527066 642034537 /nfs/dbraw/zinc/03/45/37/642034537.db2.gz QQMLXWBUIICWPR-ZDUSSCGKSA-N 1 0 291.351 2.040 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000877439827 650722942 /nfs/dbraw/zinc/72/29/42/650722942.db2.gz DYMSKOXDOBJSCX-UHFFFAOYSA-N 1 0 297.330 2.325 20 5 CEBDRO Cc1c(C[NH+]2CC([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000877488327 650746477 /nfs/dbraw/zinc/74/64/77/650746477.db2.gz FBDRQVXIORUZDD-CYBMUJFWSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H](C)CO ZINC000877527174 650768476 /nfs/dbraw/zinc/76/84/76/650768476.db2.gz PRRQXMAGXNJCSS-JTQLQIEISA-N 1 0 252.314 2.024 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850547794 642749624 /nfs/dbraw/zinc/74/96/24/642749624.db2.gz WOMNAHUFNQFXFS-FZZIBODNSA-N 1 0 291.351 2.131 20 5 CEBDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850555111 642751679 /nfs/dbraw/zinc/75/16/79/642751679.db2.gz MDRRHIBASSNRCW-DGCLKSJQSA-N 1 0 292.383 2.312 20 5 CEBDRO COC1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877583068 650800777 /nfs/dbraw/zinc/80/07/77/650800777.db2.gz LGFIFAGGVNRFRR-UHFFFAOYSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000922316734 643023052 /nfs/dbraw/zinc/02/30/52/643023052.db2.gz SNHZYWJPEUDVTJ-UHFFFAOYSA-N 1 0 292.314 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1Cl ZINC000877677631 650846548 /nfs/dbraw/zinc/84/65/48/650846548.db2.gz XSUSALOYOYUIIA-JTQLQIEISA-N 1 0 294.685 2.354 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853125220 643668218 /nfs/dbraw/zinc/66/82/18/643668218.db2.gz NYLOYHVDBIHLTB-TZMCWYRMSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)n2)cc1 ZINC000853581280 643822334 /nfs/dbraw/zinc/82/23/34/643822334.db2.gz UHZWTUSAHCFMHL-CHWSQXEVSA-N 1 0 299.334 2.153 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740942 650884146 /nfs/dbraw/zinc/88/41/46/650884146.db2.gz LIJYJDSKYQRYAQ-HOCLYGCPSA-N 1 0 289.379 2.163 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000788132746 644145823 /nfs/dbraw/zinc/14/58/23/644145823.db2.gz HZLHTFQKTYDGBL-JSGCOSHPSA-N 1 0 290.319 2.378 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839197293 644190571 /nfs/dbraw/zinc/19/05/71/644190571.db2.gz XNVXVPDPTKUMMI-SDJAHQOYSA-N 1 0 276.336 2.406 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839198084 644191900 /nfs/dbraw/zinc/19/19/00/644191900.db2.gz GJJKSVHQKKVDOW-YPMHNXCESA-N 1 0 268.288 2.391 20 5 CEBDRO CCOc1cc(CN2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755064198 644466290 /nfs/dbraw/zinc/46/62/90/644466290.db2.gz JFLGVDREUJBMRR-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000755716330 644549053 /nfs/dbraw/zinc/54/90/53/644549053.db2.gz XEUCZQOCNAPGQA-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]c(CO)c1 ZINC000858531839 645193449 /nfs/dbraw/zinc/19/34/49/645193449.db2.gz BYAMWUCEBRDPOG-UHFFFAOYSA-N 1 0 287.319 2.161 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761084635 645235154 /nfs/dbraw/zinc/23/51/54/645235154.db2.gz AUSWZYCIZWLHQA-MFKMUULPSA-N 1 0 275.308 2.018 20 5 CEBDRO C[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524331 645293562 /nfs/dbraw/zinc/29/35/62/645293562.db2.gz BIGGOOGKTIIHFF-SECBINFHSA-N 1 0 272.732 2.356 20 5 CEBDRO CC[S@](=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528013 645294475 /nfs/dbraw/zinc/29/44/75/645294475.db2.gz XFJQYUXHZZQRCF-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000763333640 645534182 /nfs/dbraw/zinc/53/41/82/645534182.db2.gz QXGDNMGYDWZITP-LBPRGKRZSA-N 1 0 264.329 2.098 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756384 645574901 /nfs/dbraw/zinc/57/49/01/645574901.db2.gz ADYVEDMBIZPDEA-QWRGUYRKSA-N 1 0 290.319 2.341 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765333881 645757747 /nfs/dbraw/zinc/75/77/47/645757747.db2.gz MIWUSMGAZOFNMN-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943991 645824951 /nfs/dbraw/zinc/82/49/51/645824951.db2.gz NLXGNYXOSBVYAE-WLRWDXFRSA-N 1 0 284.381 2.322 20 5 CEBDRO CS[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000767292966 645974403 /nfs/dbraw/zinc/97/44/03/645974403.db2.gz WDLPLWCTNXVRIA-UONOGXRCSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000771458310 646521342 /nfs/dbraw/zinc/52/13/42/646521342.db2.gz GIVCECDYALEYKI-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000863649225 646776396 /nfs/dbraw/zinc/77/63/96/646776396.db2.gz AXYOFPVWBPITOC-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO CC(C)c1ccc(CN(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000863653477 646778778 /nfs/dbraw/zinc/77/87/78/646778778.db2.gz KUEGTALGLRNMIQ-LLVKDONJSA-N 1 0 265.357 2.497 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182149 646814807 /nfs/dbraw/zinc/81/48/07/646814807.db2.gz JAZBICRXFLHNST-VLIAUNLRSA-N 1 0 296.392 2.330 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275983 647044476 /nfs/dbraw/zinc/04/44/76/647044476.db2.gz JGPQFFVTGQHRGH-IINYFYTJSA-N 1 0 264.325 2.359 20 5 CEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587915 647075939 /nfs/dbraw/zinc/07/59/39/647075939.db2.gz ZMPZJFKAKAVLEK-KBPBESRZSA-N 1 0 296.392 2.456 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593147 647076560 /nfs/dbraw/zinc/07/65/60/647076560.db2.gz QEZJNHZPIQEVCX-GWCFXTLKSA-N 1 0 252.314 2.359 20 5 CEBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776593083 647076835 /nfs/dbraw/zinc/07/68/35/647076835.db2.gz VYIOBNXHWCSFCB-CYBMUJFWSA-N 1 0 296.392 2.456 20 5 CEBDRO COC1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776605571 647078878 /nfs/dbraw/zinc/07/88/78/647078878.db2.gz MTRWOJOJVUGUPH-AWEZNQCLSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865565418 647362904 /nfs/dbraw/zinc/36/29/04/647362904.db2.gz YOBNYNDMNBRBEX-SNVBAGLBSA-N 1 0 297.330 2.122 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207343 647671935 /nfs/dbraw/zinc/67/19/35/647671935.db2.gz HZUMIHVRECENSI-NXEZZACHSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000866261764 647701994 /nfs/dbraw/zinc/70/19/94/647701994.db2.gz ZKFDAJFHKIKQOI-MFKMUULPSA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274980 647711757 /nfs/dbraw/zinc/71/17/57/647711757.db2.gz BYRGRVGWJGFALB-MNOVXSKESA-N 1 0 284.331 2.273 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cncn1C ZINC000866359366 647754528 /nfs/dbraw/zinc/75/45/28/647754528.db2.gz PMBVYCPMACKVER-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012443 648020582 /nfs/dbraw/zinc/02/05/82/648020582.db2.gz GLEUFPZEJRJTMR-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)C1 ZINC000786817419 648047275 /nfs/dbraw/zinc/04/72/75/648047275.db2.gz XNDLAQPUUAQTQL-CEFACKQISA-N 1 0 275.352 2.292 20 5 CEBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788615162 648207056 /nfs/dbraw/zinc/20/70/56/648207056.db2.gz VLCWZZMTVARJLS-ZWNOBZJWSA-N 1 0 281.356 2.499 20 5 CEBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788661588 648212084 /nfs/dbraw/zinc/21/20/84/648212084.db2.gz BGNHYZLMSWUEQG-CMPLNLGQSA-N 1 0 281.356 2.379 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000791794966 648567690 /nfs/dbraw/zinc/56/76/90/648567690.db2.gz OOTGSOHOIRILEZ-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000791918317 648584566 /nfs/dbraw/zinc/58/45/66/648584566.db2.gz JHZJNHDMUMYPTO-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000792089329 648607317 /nfs/dbraw/zinc/60/73/17/648607317.db2.gz UTWKXZDFTODNPH-UHFFFAOYSA-N 1 0 291.307 2.185 20 5 CEBDRO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794570240 648884845 /nfs/dbraw/zinc/88/48/45/648884845.db2.gz IWWWZIZDJPQKNY-SMDDNHRTSA-N 1 0 296.392 2.456 20 5 CEBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871150999 649011855 /nfs/dbraw/zinc/01/18/55/649011855.db2.gz VFMNHOVAYZFDFB-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017266 649242071 /nfs/dbraw/zinc/24/20/71/649242071.db2.gz XXSMJFQZLXFSKO-IUCAKERBSA-N 1 0 256.277 2.419 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037169 649249329 /nfs/dbraw/zinc/24/93/29/649249329.db2.gz BNGRUHPHOXCJMO-ZJUUUORDSA-N 1 0 295.314 2.005 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041994 649251474 /nfs/dbraw/zinc/25/14/74/649251474.db2.gz YPKOXDUWZURMOL-SECBINFHSA-N 1 0 268.288 2.157 20 5 CEBDRO COC[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059227 649257565 /nfs/dbraw/zinc/25/75/65/649257565.db2.gz BPOAWGCZMTYZHO-UWVGGRQHSA-N 1 0 286.303 2.046 20 5 CEBDRO COC[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059226 649257944 /nfs/dbraw/zinc/25/79/44/649257944.db2.gz BPOAWGCZMTYZHO-NXEZZACHSA-N 1 0 286.303 2.046 20 5 CEBDRO CS[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872224749 649321417 /nfs/dbraw/zinc/32/14/17/649321417.db2.gz LBGVPKCSOFLXMC-DRZSPHRISA-N 1 0 282.365 2.112 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC23CCC3)c1 ZINC000872250080 649328385 /nfs/dbraw/zinc/32/83/85/649328385.db2.gz FPQBBANYSBPEEN-QWHCGFSZSA-N 1 0 262.309 2.160 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872294170 649348708 /nfs/dbraw/zinc/34/87/08/649348708.db2.gz HYESQPBXLSGMBJ-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])s2)CCCCC1 ZINC000872629693 649445329 /nfs/dbraw/zinc/44/53/29/649445329.db2.gz NXWWHZIXLUKMHO-UHFFFAOYSA-N 1 0 270.358 2.386 20 5 CEBDRO Cc1c(C[NH2+]CCNC(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873044047 649541433 /nfs/dbraw/zinc/54/14/33/649541433.db2.gz AAKCCYUJXVWKLO-UHFFFAOYSA-N 1 0 293.367 2.155 20 5 CEBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051765 649544062 /nfs/dbraw/zinc/54/40/62/649544062.db2.gz OMWRDUHWGQCHAX-IINYFYTJSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1CC(O)C1 ZINC000873114792 649560178 /nfs/dbraw/zinc/56/01/78/649560178.db2.gz VFDIVDAXANSZBK-UHFFFAOYSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(N(C)C)CC1 ZINC000873132589 649565789 /nfs/dbraw/zinc/56/57/89/649565789.db2.gz YNZJBNPNQZITRP-UHFFFAOYSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000873134682 649566299 /nfs/dbraw/zinc/56/62/99/649566299.db2.gz STTRAGJLRRVXLI-JQWIXIFHSA-N 1 0 264.325 2.479 20 5 CEBDRO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253468 649611066 /nfs/dbraw/zinc/61/10/66/649611066.db2.gz YFPNFQDVQFRQLL-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322452 651285291 /nfs/dbraw/zinc/28/52/91/651285291.db2.gz TYUAWSOFUUYDRA-DFBGVHRSSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879581082 651326679 /nfs/dbraw/zinc/32/66/79/651326679.db2.gz WGBKNYRZZSCKSF-OCCSQVGLSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000880131376 651387878 /nfs/dbraw/zinc/38/78/78/651387878.db2.gz KDXYEXYFNRQDJN-LSDHHAIUSA-N 1 0 275.352 2.263 20 5 CEBDRO C[C@H]1c2sccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000880376523 651432842 /nfs/dbraw/zinc/43/28/42/651432842.db2.gz IJEQCWLKANOBOR-JTQLQIEISA-N 1 0 292.364 2.472 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881856266 651901342 /nfs/dbraw/zinc/90/13/42/651901342.db2.gz JHNGDLSIMMNBQK-JTQLQIEISA-N 1 0 282.319 2.271 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881851029 651901408 /nfs/dbraw/zinc/90/14/08/651901408.db2.gz BAGDYPWFBSYQSI-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000882005361 651935877 /nfs/dbraw/zinc/93/58/77/651935877.db2.gz KQYWFEWUNFGVQA-NSHDSACASA-N 1 0 294.330 2.051 20 5 CEBDRO CSCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130236712 652231532 /nfs/dbraw/zinc/23/15/32/652231532.db2.gz ZLOVKKCILMPSOQ-ZWNOBZJWSA-N 1 0 284.381 2.359 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000883181892 652391907 /nfs/dbraw/zinc/39/19/07/652391907.db2.gz NGAZQNJHWAVYQA-DZGCQCFKSA-N 1 0 294.351 2.126 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000884267435 652774154 /nfs/dbraw/zinc/77/41/54/652774154.db2.gz FWMLALAQZQWDJT-NWDGAFQWSA-N 1 0 291.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364981 652817317 /nfs/dbraw/zinc/81/73/17/652817317.db2.gz BJHUCUNOEDOJGB-RYUDHWBXSA-N 1 0 291.351 2.067 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884434293 652849725 /nfs/dbraw/zinc/84/97/25/652849725.db2.gz GZKHDGXBJHMKGO-NWDGAFQWSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164630044 719151741 /nfs/dbraw/zinc/15/17/41/719151741.db2.gz FULNUZQBLJDRIJ-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227106080 805860532 /nfs/dbraw/zinc/86/05/32/805860532.db2.gz DTRHCQANPMROED-VIFPVBQESA-N 1 0 298.299 2.007 20 5 CEBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001227185804 805876968 /nfs/dbraw/zinc/87/69/68/805876968.db2.gz ZCOHGEHIAZNTNY-LLVKDONJSA-N 1 0 266.297 2.076 20 5 CEBDRO CN(C)c1cc(Nc2ccc(N)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001209935234 802596758 /nfs/dbraw/zinc/59/67/58/802596758.db2.gz RHKVCCZKHUZGPC-UHFFFAOYSA-N 1 0 273.296 2.382 20 5 CEBDRO [NH3+]Cc1cccn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167581582 803156580 /nfs/dbraw/zinc/15/65/80/803156580.db2.gz GPWAJNSQHAFXTI-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724997879 803383791 /nfs/dbraw/zinc/38/37/91/803383791.db2.gz KSIYNJVYXOGHNF-YXMLORGKSA-N 1 0 282.727 2.251 20 5 CEBDRO O=[N+]([O-])c1cnc(O[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001218278631 803574628 /nfs/dbraw/zinc/57/46/28/803574628.db2.gz GHPWNASSWRODCJ-MRVPVSSYSA-N 1 0 291.229 2.139 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218398556 803600325 /nfs/dbraw/zinc/60/03/25/803600325.db2.gz GKZMHGYPGHBTPL-ZDUSSCGKSA-N 1 0 262.309 2.424 20 5 CEBDRO Cc1nc(N)ccc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167785927 804163641 /nfs/dbraw/zinc/16/36/41/804163641.db2.gz HFBQCTLBWQNBEB-UHFFFAOYSA-N 1 0 299.334 2.096 20 5 CEBDRO COc1ccc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225770601 805278850 /nfs/dbraw/zinc/27/88/50/805278850.db2.gz YYJDTFGAFWQVDW-LLVKDONJSA-N 1 0 266.297 2.076 20 5 CEBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570078 807247385 /nfs/dbraw/zinc/24/73/85/807247385.db2.gz NXHNDKQSIGELMM-UFBFGSQYSA-N 1 0 274.267 2.262 20 5 CEBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570075 807247637 /nfs/dbraw/zinc/24/76/37/807247637.db2.gz NXHNDKQSIGELMM-QPUJVOFHSA-N 1 0 274.267 2.262 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001171449086 815142080 /nfs/dbraw/zinc/14/20/80/815142080.db2.gz INLHXQCMNBNUOO-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO CCC1(Nc2ccc3ncccc3c2[N+](=O)[O-])C[NH2+]C1 ZINC001168582482 808667202 /nfs/dbraw/zinc/66/72/02/808667202.db2.gz QZWVGCNRYOBHGV-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO CC[S@](=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132713996 809234326 /nfs/dbraw/zinc/23/43/26/809234326.db2.gz AJLUSOIDDHPYCK-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700606088 809331234 /nfs/dbraw/zinc/33/12/34/809331234.db2.gz WCVMXNCQFPRPIR-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700626502 809333863 /nfs/dbraw/zinc/33/38/63/809333863.db2.gz YFEITMFQRGFZKG-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO Nc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120863161 815287459 /nfs/dbraw/zinc/28/74/59/815287459.db2.gz XGLSNKHKIOAUNG-NEPJUHHUSA-N 1 0 291.355 2.001 20 5 CEBDRO Cc1c(CNC2CC([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000701499812 809437296 /nfs/dbraw/zinc/43/72/96/809437296.db2.gz ORVHYDOGXBMQRP-UHFFFAOYSA-N 1 0 263.341 2.085 20 5 CEBDRO CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034572076 809631303 /nfs/dbraw/zinc/63/13/03/809631303.db2.gz LXXSATVGVPSCQK-HDJSIYSDSA-N 1 0 291.351 2.132 20 5 CEBDRO C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000703989132 809713900 /nfs/dbraw/zinc/71/39/00/809713900.db2.gz MQDRRIFTNRPFDL-CMPLNLGQSA-N 1 0 282.315 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCSC2)cc1 ZINC000704796008 809753527 /nfs/dbraw/zinc/75/35/27/809753527.db2.gz HJADMKWHLFDJIW-FZMZJTMJSA-N 1 0 296.392 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCOCC3)cc1F ZINC000707134471 809881619 /nfs/dbraw/zinc/88/16/19/809881619.db2.gz AYNULUPTGOQGDE-UHFFFAOYSA-N 1 0 280.299 2.489 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000709012909 809940124 /nfs/dbraw/zinc/94/01/24/809940124.db2.gz WOVMBVOSKWRKMD-CYBMUJFWSA-N 1 0 281.331 2.437 20 5 CEBDRO CON1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000709385985 809961012 /nfs/dbraw/zinc/96/10/12/809961012.db2.gz XZMQYUDDKPWBSE-UHFFFAOYSA-N 1 0 299.758 2.364 20 5 CEBDRO CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000701701237 810642848 /nfs/dbraw/zinc/64/28/48/810642848.db2.gz PSZLKICVVGXFCS-LBPRGKRZSA-N 1 0 268.288 2.345 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC001122252098 815396350 /nfs/dbraw/zinc/39/63/50/815396350.db2.gz KBPJGQHWTJLDAQ-MISXGVKJSA-N 1 0 293.367 2.391 20 5 CEBDRO C[C@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367432 815405415 /nfs/dbraw/zinc/40/54/15/815405415.db2.gz BXVILNMFQQIKGL-BONVTDFDSA-N 1 0 291.351 2.074 20 5 CEBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])ccc3Cl)cc2C1 ZINC001168816708 811245366 /nfs/dbraw/zinc/24/53/66/811245366.db2.gz SFNMPPRTRFDLLD-VIFPVBQESA-N 1 0 292.726 2.250 20 5 CEBDRO [NH3+]CCc1cnn(-c2cc3cccnc3c3ncccc23)c1 ZINC001168952840 811303542 /nfs/dbraw/zinc/30/35/42/811303542.db2.gz PRDMBMVGQXJNRA-UHFFFAOYSA-N 1 0 289.342 2.470 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC001168977982 811306130 /nfs/dbraw/zinc/30/61/30/811306130.db2.gz NKGPDSKTJUZDOE-LALPHHSUSA-N 1 0 275.352 2.494 20 5 CEBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977165 811306283 /nfs/dbraw/zinc/30/62/83/811306283.db2.gz IMVZTQZZXLEVDL-JHJVBQTASA-N 1 0 272.389 2.351 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168978286 811306925 /nfs/dbraw/zinc/30/69/25/811306925.db2.gz QSLAFBWLBXMCFT-JSGCOSHPSA-N 1 0 291.351 2.050 20 5 CEBDRO Cc1cccn2cc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)nc12 ZINC001168979169 811308986 /nfs/dbraw/zinc/30/89/86/811308986.db2.gz WSCMUSRUBSIBAK-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO [NH3+]CCc1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168979203 811309070 /nfs/dbraw/zinc/30/90/70/811309070.db2.gz XDVDYXGFYLVCTB-RYUDHWBXSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001168955750 811312781 /nfs/dbraw/zinc/31/27/81/811312781.db2.gz BWFOEZCROZKQON-OLZOCXBDSA-N 1 0 264.325 2.100 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001168959646 811314209 /nfs/dbraw/zinc/31/42/09/811314209.db2.gz XSAPTFWZXAZLQI-WCQYABFASA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC001168967602 811318074 /nfs/dbraw/zinc/31/80/74/811318074.db2.gz RDXRXPQPSMIMEB-GJZGRUSLSA-N 1 0 278.352 2.238 20 5 CEBDRO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972532 811321600 /nfs/dbraw/zinc/32/16/00/811321600.db2.gz NHPFSEUAHQLNNN-XUXIUFHCSA-N 1 0 284.400 2.351 20 5 CEBDRO Cc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974514 811323532 /nfs/dbraw/zinc/32/35/32/811323532.db2.gz RBNYSFJHQNBLID-ZFWWWQNUSA-N 1 0 290.363 2.256 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCOCC2)C1 ZINC001168997725 811327517 /nfs/dbraw/zinc/32/75/17/811327517.db2.gz FFJZDIQPCLUBOB-UONOGXRCSA-N 1 0 282.384 2.371 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169005254 811329673 /nfs/dbraw/zinc/32/96/73/811329673.db2.gz ABUFBAQIRNHMQO-GOEBONIOSA-N 1 0 295.427 2.382 20 5 CEBDRO Cc1nc2ccccn2c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005773 811331160 /nfs/dbraw/zinc/33/11/60/811331160.db2.gz CYACXTCLFAHXRY-OLZOCXBDSA-N 1 0 288.351 2.178 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001169011693 811333653 /nfs/dbraw/zinc/33/36/53/811333653.db2.gz MEYSXUMUESTBHT-KKOKHZNYSA-N 1 0 274.311 2.409 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988304 811337277 /nfs/dbraw/zinc/33/72/77/811337277.db2.gz QSPGKYKGPDIGGF-PWSUYJOCSA-N 1 0 282.315 2.369 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989338 811338738 /nfs/dbraw/zinc/33/87/38/811338738.db2.gz WENUWGLZHKUOFM-KHMAMNHCSA-N 1 0 281.400 2.037 20 5 CEBDRO C[N@H+](CCOc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027115 811339818 /nfs/dbraw/zinc/33/98/18/811339818.db2.gz PDMLVXXDKHWJIX-UONOGXRCSA-N 1 0 278.352 2.443 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(OCc3ccccc3)C2)C1 ZINC001169027468 811339854 /nfs/dbraw/zinc/33/98/54/811339854.db2.gz QBENRFGDJNUXJU-GJZGRUSLSA-N 1 0 290.363 2.333 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169029875 811343012 /nfs/dbraw/zinc/34/30/12/811343012.db2.gz WPAWWQBQPLAICM-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CCOCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036383 811345748 /nfs/dbraw/zinc/34/57/48/811345748.db2.gz FRUCTIUWSKQPLR-KGLIPLIRSA-N 1 0 270.373 2.180 20 5 CEBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)o1 ZINC001169038863 811348445 /nfs/dbraw/zinc/34/84/45/811348445.db2.gz LBPTXJPPPRSDQQ-UPJWGTAASA-N 1 0 294.355 2.003 20 5 CEBDRO C[N@H+](Cc1cscn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040363 811350755 /nfs/dbraw/zinc/35/07/55/811350755.db2.gz ZJPOKPIGGHRJLQ-KOLCDFICSA-N 1 0 255.343 2.020 20 5 CEBDRO C[N@H+](Cc1cncs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046693 811355068 /nfs/dbraw/zinc/35/50/68/811355068.db2.gz LVJGUUUJYXZELU-VHSXEESVSA-N 1 0 255.343 2.020 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169023900 811355319 /nfs/dbraw/zinc/35/53/19/811355319.db2.gz GKTAXHNNPMPNEY-HOTGVXAUSA-N 1 0 295.427 2.240 20 5 CEBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169025908 811355612 /nfs/dbraw/zinc/35/56/12/811355612.db2.gz JUWXAKNCSPYJRF-VYDRJRHOSA-N 1 0 282.384 2.179 20 5 CEBDRO C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057052 811359046 /nfs/dbraw/zinc/35/90/46/811359046.db2.gz UPTHRWPRGITZOL-WCQYABFASA-N 1 0 292.335 2.293 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001169230997 811443707 /nfs/dbraw/zinc/44/37/07/811443707.db2.gz CNJHJQMYPPBFRK-MRVPVSSYSA-N 1 0 271.280 2.282 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC001169235665 811454948 /nfs/dbraw/zinc/45/49/48/811454948.db2.gz YYXPVONIAQQNAX-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000771287898 811954441 /nfs/dbraw/zinc/95/44/41/811954441.db2.gz NFSMVNPMTHJCCC-UWVGGRQHSA-N 1 0 267.304 2.263 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170307888 812391149 /nfs/dbraw/zinc/39/11/49/812391149.db2.gz JSOMJYIJCDFRSI-ITDIGPHOSA-N 1 0 294.351 2.037 20 5 CEBDRO CC(C)(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123611380 815537250 /nfs/dbraw/zinc/53/72/50/815537250.db2.gz FDCFZHAGXQFWHS-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)CC2 ZINC001172900971 815539568 /nfs/dbraw/zinc/53/95/68/815539568.db2.gz IAKPJEYAVWVLMM-IMJJTQAJSA-N 1 0 290.363 2.345 20 5 CEBDRO C[C@@]1(O)C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901867 815539610 /nfs/dbraw/zinc/53/96/10/815539610.db2.gz QMLMGMONTSDEQP-DZKIICNBSA-N 1 0 290.363 2.345 20 5 CEBDRO CC(C)(CO)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895794 815543070 /nfs/dbraw/zinc/54/30/70/815543070.db2.gz IZSBJLWRKPVQQG-CQSZACIVSA-N 1 0 292.379 2.450 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(CCO3)C1)CC2 ZINC001172915247 815544000 /nfs/dbraw/zinc/54/40/00/815544000.db2.gz MQANNJAINZBVCO-AWEZNQCLSA-N 1 0 288.347 2.317 20 5 CEBDRO Cc1cc(Cl)nc(-n2ccc([C@@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158349663 812669119 /nfs/dbraw/zinc/66/91/19/812669119.db2.gz VCDNIFSJOUAFDH-SSDOTTSWSA-N 1 0 281.703 2.157 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1COC1)CC2 ZINC001172911015 815558536 /nfs/dbraw/zinc/55/85/36/815558536.db2.gz GSWVGCILPXZKOZ-OAHLLOKOSA-N 1 0 290.363 2.468 20 5 CEBDRO CC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175291 815616958 /nfs/dbraw/zinc/61/69/58/815616958.db2.gz MSKAKSLNAWDPEP-MRVPVSSYSA-N 1 0 256.277 2.283 20 5 CEBDRO COc1cc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)cc1F ZINC001171333017 814584242 /nfs/dbraw/zinc/58/42/42/814584242.db2.gz BWRBMVHRCPCWPJ-SECBINFHSA-N 1 0 283.303 2.297 20 5 CEBDRO CN(C)c1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171335647 814601014 /nfs/dbraw/zinc/60/10/14/814601014.db2.gz PTDZQGNRFDPGND-LLVKDONJSA-N 1 0 278.356 2.215 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712616973 814758181 /nfs/dbraw/zinc/75/81/81/814758181.db2.gz SNFTYLSEHNNEFA-SNVBAGLBSA-N 1 0 253.277 2.240 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712567499 814767392 /nfs/dbraw/zinc/76/73/92/814767392.db2.gz YDECJRIMFDTHMM-YPMHNXCESA-N 1 0 263.341 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)s1 ZINC001116210146 814840395 /nfs/dbraw/zinc/84/03/95/814840395.db2.gz WXFUOFNAACKKRT-JTQLQIEISA-N 1 0 267.354 2.331 20 5 CEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001116850470 814887411 /nfs/dbraw/zinc/88/74/11/814887411.db2.gz PDZAOBDBCBJIHM-UONOGXRCSA-N 1 0 292.335 2.069 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000714655880 814911735 /nfs/dbraw/zinc/91/17/35/814911735.db2.gz PPVYQZPFWDUJMB-JOCQHMNTSA-N 1 0 264.325 2.418 20 5 CEBDRO CCOC(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215833 815623150 /nfs/dbraw/zinc/62/31/50/815623150.db2.gz FKRUGTGRXLFYPK-NEPJUHHUSA-N 1 0 294.351 2.457 20 5 CEBDRO CCOCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217217 815623734 /nfs/dbraw/zinc/62/37/34/815623734.db2.gz QPVUSVJAQRKLCR-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(C)n1 ZINC001173218271 815624429 /nfs/dbraw/zinc/62/44/29/815624429.db2.gz PKGDDMGWBLGZFO-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001173219214 815624704 /nfs/dbraw/zinc/62/47/04/815624704.db2.gz ZCRXJOHHOXZQJY-JKOKRWQUSA-N 1 0 264.325 2.029 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173217848 815624947 /nfs/dbraw/zinc/62/49/47/815624947.db2.gz MRYFVVPAKCCFRF-RTXFEEFZSA-N 1 0 292.335 2.067 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001173224365 815627406 /nfs/dbraw/zinc/62/74/06/815627406.db2.gz FFCWOBMQFXWXQT-KWCYVHTRSA-N 1 0 296.342 2.178 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001173223099 815627422 /nfs/dbraw/zinc/62/74/22/815627422.db2.gz XQWYCNGHJFPCOK-DFBGVHRSSA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1O ZINC001173233185 815632950 /nfs/dbraw/zinc/63/29/50/815632950.db2.gz HJFUXUKUFDGZRQ-NSHDSACASA-N 1 0 287.319 2.416 20 5 CEBDRO CCC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001176782339 816470135 /nfs/dbraw/zinc/47/01/35/816470135.db2.gz AHARLJDOYYCQMA-LBPRGKRZSA-N 1 0 279.340 2.021 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C1CC1 ZINC000601291531 346813728 /nfs/dbraw/zinc/81/37/28/346813728.db2.gz LIAZBZXKCKIDQB-GLQYFDAESA-N 1 0 290.363 2.276 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127740484 187329986 /nfs/dbraw/zinc/32/99/86/187329986.db2.gz CBSDGQDAUKLNBB-CYBMUJFWSA-N 1 0 297.330 2.179 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000449131012 282112170 /nfs/dbraw/zinc/11/21/70/282112170.db2.gz JOCYCGBFVMUMIF-JSGCOSHPSA-N 1 0 289.379 2.352 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000035019476 361804226 /nfs/dbraw/zinc/80/42/26/361804226.db2.gz HSLCLDMTJFAIIV-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143284 282117377 /nfs/dbraw/zinc/11/73/77/282117377.db2.gz PXAMPHGHGGZZIK-RISCZKNCSA-N 1 0 266.341 2.132 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000294964152 199273055 /nfs/dbraw/zinc/27/30/55/199273055.db2.gz CQFOPHUMFWLVFH-AULYBMBSSA-N 1 0 264.325 2.236 20 5 CEBDRO CSC[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163333 282127030 /nfs/dbraw/zinc/12/70/30/282127030.db2.gz LVXRVLXGMSFKOM-BXUZGUMPSA-N 1 0 298.408 2.229 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000601324925 346821531 /nfs/dbraw/zinc/82/15/31/346821531.db2.gz QRYGAMYEVIWQBT-LLVKDONJSA-N 1 0 281.331 2.437 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190706 282136582 /nfs/dbraw/zinc/13/65/82/282136582.db2.gz NNGZCIGRXDTLGW-YPMHNXCESA-N 1 0 298.408 2.229 20 5 CEBDRO C[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000096832935 185115893 /nfs/dbraw/zinc/11/58/93/185115893.db2.gz ZPVYZHOGKFFYJF-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721144 361852223 /nfs/dbraw/zinc/85/22/23/361852223.db2.gz LQSJEGWTTKKUMC-DGCLKSJQSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793829 361857809 /nfs/dbraw/zinc/85/78/09/361857809.db2.gz TVGQGTYRBGLZDJ-QWRGUYRKSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000449209389 282142755 /nfs/dbraw/zinc/14/27/55/282142755.db2.gz QLIWXIAZYJXNFI-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793831 361858621 /nfs/dbraw/zinc/85/86/21/361858621.db2.gz TVGQGTYRBGLZDJ-WDEREUQCSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563126 361904873 /nfs/dbraw/zinc/90/48/73/361904873.db2.gz YYNZEKNPURKKHL-VIFPVBQESA-N 1 0 266.326 2.031 20 5 CEBDRO Cc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000356908310 282153413 /nfs/dbraw/zinc/15/34/13/282153413.db2.gz ADHVROCXWBPQRO-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000449257617 282160479 /nfs/dbraw/zinc/16/04/79/282160479.db2.gz JQECVJLBNYJOLY-WHOFXGATSA-N 1 0 278.352 2.419 20 5 CEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000125827894 187201676 /nfs/dbraw/zinc/20/16/76/187201676.db2.gz YOJIQKFDSULOJK-MNOVXSKESA-N 1 0 298.364 2.478 20 5 CEBDRO Cc1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000080639793 344017709 /nfs/dbraw/zinc/01/77/09/344017709.db2.gz FOMJOCFXVFYDNQ-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1cc(NCCCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000338757139 214756404 /nfs/dbraw/zinc/75/64/04/214756404.db2.gz OGHBYNCLZMIWFF-UHFFFAOYSA-N 1 0 292.383 2.398 20 5 CEBDRO CCC[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042452702 362097011 /nfs/dbraw/zinc/09/70/11/362097011.db2.gz HXXUWFAYTDEMFB-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000042297363 362078708 /nfs/dbraw/zinc/07/87/08/362078708.db2.gz ZVDSSPFIAJSECR-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042821302 362122179 /nfs/dbraw/zinc/12/21/79/362122179.db2.gz MRSOFXZDFZIGDX-GFCCVEGCSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426089 282231440 /nfs/dbraw/zinc/23/14/40/282231440.db2.gz QRPOVEUCWRRYMF-UONOGXRCSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007960755 343360354 /nfs/dbraw/zinc/36/03/54/343360354.db2.gz AZCMKMCNMVSLCY-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000008336975 343362277 /nfs/dbraw/zinc/36/22/77/343362277.db2.gz NJJKJXZZAFCZCF-VIFPVBQESA-N 1 0 295.368 2.105 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000047829584 362225962 /nfs/dbraw/zinc/22/59/62/362225962.db2.gz NDFLMNZMANSCEH-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1OCc1nc(C(C)(C)[NH3+])no1 ZINC000043402669 343463786 /nfs/dbraw/zinc/46/37/86/343463786.db2.gz SXCLVASOAYQWQD-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000044411732 343471686 /nfs/dbraw/zinc/47/16/86/343471686.db2.gz RYSAEPRANJQSNY-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295049944 199318943 /nfs/dbraw/zinc/31/89/43/199318943.db2.gz NISXYGLPJXGGSK-QWRGUYRKSA-N 1 0 274.267 2.089 20 5 CEBDRO CC(C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065961684 343705223 /nfs/dbraw/zinc/70/52/23/343705223.db2.gz IQPHWQVEHNEKGC-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO CC1CC[NH+](C[C@H](O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067373130 343734882 /nfs/dbraw/zinc/73/48/82/343734882.db2.gz YWDTWKMJNXDYMV-CYBMUJFWSA-N 1 0 293.367 2.100 20 5 CEBDRO CC[N@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000066373532 343712519 /nfs/dbraw/zinc/71/25/19/343712519.db2.gz QIYSJHVAHLOCLH-UHFFFAOYSA-N 1 0 265.313 2.161 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066948764 343726425 /nfs/dbraw/zinc/72/64/25/343726425.db2.gz YXFWERPOVQRYIG-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000351517425 219113224 /nfs/dbraw/zinc/11/32/24/219113224.db2.gz NULVNGVITFLDKA-LSDHHAIUSA-N 1 0 294.351 2.114 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000072947678 343816662 /nfs/dbraw/zinc/81/66/62/343816662.db2.gz SRIGORUCZYRXJI-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(N)=O)CC1 ZINC000075638807 343860779 /nfs/dbraw/zinc/86/07/79/343860779.db2.gz IGDXTQRCDWCMLP-NSHDSACASA-N 1 0 291.351 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638486 282314456 /nfs/dbraw/zinc/31/44/56/282314456.db2.gz KVUIJUPCKHRGEG-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000090773923 344143786 /nfs/dbraw/zinc/14/37/86/344143786.db2.gz XOYDETLTACRCQQ-WCQYABFASA-N 1 0 264.325 2.294 20 5 CEBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000090910109 344146391 /nfs/dbraw/zinc/14/63/91/344146391.db2.gz QQCCONFZMCOCOJ-AWEZNQCLSA-N 1 0 266.341 2.398 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000122004250 344304741 /nfs/dbraw/zinc/30/47/41/344304741.db2.gz MJJZGCOTNGEIBV-SNVBAGLBSA-N 1 0 252.314 2.264 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132573134 344364503 /nfs/dbraw/zinc/36/45/03/344364503.db2.gz ZIAUBXFSDAAESB-LLVKDONJSA-N 1 0 297.742 2.120 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(F)c1 ZINC000153811632 344430643 /nfs/dbraw/zinc/43/06/43/344430643.db2.gz KBANXKJBGBZCRY-AWEZNQCLSA-N 1 0 280.299 2.346 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134426216 344373896 /nfs/dbraw/zinc/37/38/96/344373896.db2.gz WXDLGQNZCGHEPH-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO COCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963794 362387760 /nfs/dbraw/zinc/38/77/60/362387760.db2.gz LNRPISGGHZDNOM-UHFFFAOYSA-N 1 0 288.731 2.001 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCC(O)CC2)cs1 ZINC000227647626 344555738 /nfs/dbraw/zinc/55/57/38/344555738.db2.gz IDMVEXFNXZJZLW-UHFFFAOYSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228363503 344560546 /nfs/dbraw/zinc/56/05/46/344560546.db2.gz AZAMYZLGLZZBNU-GFCCVEGCSA-N 1 0 266.341 2.136 20 5 CEBDRO Cc1c(-c2nc([C@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000228560608 344560770 /nfs/dbraw/zinc/56/07/70/344560770.db2.gz ZIABULCQBROTBZ-SNVBAGLBSA-N 1 0 274.280 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000235337051 344590442 /nfs/dbraw/zinc/59/04/42/344590442.db2.gz SLAXPFLGMUEWNJ-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)CCn1cc(NCc2csc([N+](=O)[O-])c2)cn1 ZINC000236998175 344599269 /nfs/dbraw/zinc/59/92/69/344599269.db2.gz RZJPPFHVNVNGDK-UHFFFAOYSA-N 1 0 295.368 2.027 20 5 CEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514599 347063722 /nfs/dbraw/zinc/06/37/22/347063722.db2.gz LGSGEMYPDBLKSF-IUCAKERBSA-N 1 0 261.281 2.482 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000310684744 344731026 /nfs/dbraw/zinc/73/10/26/344731026.db2.gz LGNZTHFCJPHUSB-SFYZADRCSA-N 1 0 270.720 2.196 20 5 CEBDRO [NH3+]CCC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000311358872 344733730 /nfs/dbraw/zinc/73/37/30/344733730.db2.gz AOMWBNQRJMHDJN-UHFFFAOYSA-N 1 0 284.747 2.208 20 5 CEBDRO CC[C@H]([NH2+]C1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000313131513 344741275 /nfs/dbraw/zinc/74/12/75/344741275.db2.gz DORIEBIWTKGVHN-AWEZNQCLSA-N 1 0 280.324 2.051 20 5 CEBDRO Cc1c(C[NH2+]CCCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000314870767 344747187 /nfs/dbraw/zinc/74/71/87/344747187.db2.gz KIGUPDMKONFAEN-UHFFFAOYSA-N 1 0 288.351 2.359 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293359081 344691926 /nfs/dbraw/zinc/69/19/26/344691926.db2.gz ZUFFTIKJGUSWTF-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555446 347075569 /nfs/dbraw/zinc/07/55/69/347075569.db2.gz QZUUVXFHBRXTAQ-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@H](C)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568923 347081530 /nfs/dbraw/zinc/08/15/30/347081530.db2.gz ZLHCZHWTKTXCDR-BXUZGUMPSA-N 1 0 266.341 2.134 20 5 CEBDRO CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000127283183 187293629 /nfs/dbraw/zinc/29/36/29/187293629.db2.gz LSBBKOYNUOHCTR-DGCLKSJQSA-N 1 0 293.367 2.421 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111401 345065917 /nfs/dbraw/zinc/06/59/17/345065917.db2.gz IHAMXAKJISOWIZ-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000055901588 362555633 /nfs/dbraw/zinc/55/56/33/362555633.db2.gz BCZRPONZAYWBND-CHWSQXEVSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765517 345176425 /nfs/dbraw/zinc/17/64/25/345176425.db2.gz QLAITHCJCYSAMU-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591442856 345255674 /nfs/dbraw/zinc/25/56/74/345255674.db2.gz BDISTZBBKFJGIR-OLZOCXBDSA-N 1 0 298.346 2.189 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348696 345241911 /nfs/dbraw/zinc/24/19/11/345241911.db2.gz MEKSMAJZVXDABB-DFBGVHRSSA-N 1 0 276.336 2.475 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448130 345256841 /nfs/dbraw/zinc/25/68/41/345256841.db2.gz DBCIHUOBPHQKFB-YRGRVCCFSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591435560 345253697 /nfs/dbraw/zinc/25/36/97/345253697.db2.gz KGFWVSHRFIRRFM-TXEJJXNPSA-N 1 0 261.325 2.234 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccncc21 ZINC000591437365 345254370 /nfs/dbraw/zinc/25/43/70/345254370.db2.gz GQCTXLRGTKOJFK-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439433 345254607 /nfs/dbraw/zinc/25/46/07/345254607.db2.gz UTROEDDWTUXDBT-ONGXEEELSA-N 1 0 281.743 2.436 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439435 345254708 /nfs/dbraw/zinc/25/47/08/345254708.db2.gz VBFSLHWMOIDNMO-GXSJLCMTSA-N 1 0 281.743 2.436 20 5 CEBDRO C[NH+](C)C1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000591464354 345259537 /nfs/dbraw/zinc/25/95/37/345259537.db2.gz WKNXPHZZKJYMME-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[C@H]1[NH3+] ZINC000592330924 345342994 /nfs/dbraw/zinc/34/29/94/345342994.db2.gz FIBBMBXRRSGONF-VHSXEESVSA-N 1 0 297.380 2.164 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH3+])CC1 ZINC000592484892 345359569 /nfs/dbraw/zinc/35/95/69/345359569.db2.gz GYZFBTOKPRWVDW-NSHDSACASA-N 1 0 263.341 2.469 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[NH+]1CCCCC1 ZINC000593516108 345502064 /nfs/dbraw/zinc/50/20/64/345502064.db2.gz MAXOUOWDVGQAGB-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO CC[C@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719348 345527311 /nfs/dbraw/zinc/52/73/11/345527311.db2.gz WWUMDBUJEPHPIB-AAEUAGOBSA-N 1 0 270.304 2.356 20 5 CEBDRO Cc1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593920073 345552503 /nfs/dbraw/zinc/55/25/03/345552503.db2.gz WRWATLNEOKOWLE-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000594014852 345566793 /nfs/dbraw/zinc/56/67/93/345566793.db2.gz OOCOTEPIVWEOOL-CQSZACIVSA-N 1 0 294.351 2.211 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514454 345641510 /nfs/dbraw/zinc/64/15/10/345641510.db2.gz YEOVTNGXYPERHZ-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594600474 345656932 /nfs/dbraw/zinc/65/69/32/345656932.db2.gz LJVGODVRDUISFQ-VXGBXAGGSA-N 1 0 293.371 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C/CO)C1CC1 ZINC000595066833 345738971 /nfs/dbraw/zinc/73/89/71/345738971.db2.gz FIQRKDVUWOLWOR-XGACYXMMSA-N 1 0 276.336 2.054 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000595104763 345742998 /nfs/dbraw/zinc/74/29/98/345742998.db2.gz UMQBJRUOUZNATJ-DCAQKATOSA-N 1 0 250.298 2.077 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000594926875 345704822 /nfs/dbraw/zinc/70/48/22/345704822.db2.gz XBJIJRCUAQXISA-RYUDHWBXSA-N 1 0 250.298 2.252 20 5 CEBDRO COC[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000594955686 345715700 /nfs/dbraw/zinc/71/57/00/345715700.db2.gz SATGEMBDOWOKKS-AWEZNQCLSA-N 1 0 282.340 2.044 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)C1CCC1 ZINC000594956319 345715821 /nfs/dbraw/zinc/71/58/21/345715821.db2.gz JGZUXCONPQXESE-SMGNDMQFSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000594969926 345719819 /nfs/dbraw/zinc/71/98/19/345719819.db2.gz UEOSPMLSZCIGRH-NSHDSACASA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594972044 345720231 /nfs/dbraw/zinc/72/02/31/345720231.db2.gz WECYLDPIFPTMQV-GFCCVEGCSA-N 1 0 286.278 2.417 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC(C)C ZINC000594972589 345720304 /nfs/dbraw/zinc/72/03/04/345720304.db2.gz BWENPJMILKUXQV-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000594976733 345720895 /nfs/dbraw/zinc/72/08/95/345720895.db2.gz QENYIPPDGCVAMX-GFCCVEGCSA-N 1 0 262.309 2.396 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCCO ZINC000595022266 345729501 /nfs/dbraw/zinc/72/95/01/345729501.db2.gz TTYPEGGJWTYELJ-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)O ZINC000595033695 345731491 /nfs/dbraw/zinc/73/14/91/345731491.db2.gz RZKPKSZDYPGNAM-AXFHLTTASA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000595041014 345733652 /nfs/dbraw/zinc/73/36/52/345733652.db2.gz OMFIYCBCZVXVBB-GVXVVHGQSA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCCCO)C1CC1 ZINC000595334570 345764341 /nfs/dbraw/zinc/76/43/41/345764341.db2.gz UZUZOFFKFREBEC-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826863 345887464 /nfs/dbraw/zinc/88/74/64/345887464.db2.gz KKLVPCODTBTBFO-OLZOCXBDSA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(COC3)C2)cc1 ZINC000595835945 345892244 /nfs/dbraw/zinc/89/22/44/345892244.db2.gz SSEQETOUSXUKKR-UHFFFAOYSA-N 1 0 292.335 2.086 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595750508 345865994 /nfs/dbraw/zinc/86/59/94/345865994.db2.gz BYHSZBRQCJNIPK-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595752318 345867008 /nfs/dbraw/zinc/86/70/08/345867008.db2.gz XFHVFQIBCPVFOQ-QWRGUYRKSA-N 1 0 294.351 2.052 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756757 345868623 /nfs/dbraw/zinc/86/86/23/345868623.db2.gz WNUWSCGZRHVVPR-SWLSCSKDSA-N 1 0 292.335 2.072 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759419 345869656 /nfs/dbraw/zinc/86/96/56/345869656.db2.gz PXNJZRSVSDHIDD-HIFRSBDPSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1c(C[NH2+][C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776400 345874010 /nfs/dbraw/zinc/87/40/10/345874010.db2.gz AWXYJZRJIRFBIX-KBPBESRZSA-N 1 0 276.336 2.296 20 5 CEBDRO C[C@@H]([NH2+]CCOCCF)c1ccc([N+](=O)[O-])cc1 ZINC000596052747 345928830 /nfs/dbraw/zinc/92/88/30/345928830.db2.gz WUPJXQRAJVGCQG-SNVBAGLBSA-N 1 0 256.277 2.232 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596061859 345930362 /nfs/dbraw/zinc/93/03/62/345930362.db2.gz LRFSFJNCWJKCEV-LLVKDONJSA-N 1 0 294.355 2.372 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000595943183 345916883 /nfs/dbraw/zinc/91/68/83/345916883.db2.gz GWFWFRKRXGAXEM-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000595951812 345917424 /nfs/dbraw/zinc/91/74/24/345917424.db2.gz SMSJSIIUWZQMHR-GFCCVEGCSA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000595952250 345917583 /nfs/dbraw/zinc/91/75/83/345917583.db2.gz XOKCNLYOFNUMOW-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596305865 345995228 /nfs/dbraw/zinc/99/52/28/345995228.db2.gz BSYQMYSJNVDMSX-SNVBAGLBSA-N 1 0 294.355 2.228 20 5 CEBDRO Cc1cc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596275703 345989004 /nfs/dbraw/zinc/98/90/04/345989004.db2.gz VLKKSWCXEDJTNX-UHFFFAOYSA-N 1 0 255.343 2.471 20 5 CEBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596430289 346021362 /nfs/dbraw/zinc/02/13/62/346021362.db2.gz KMOAFJSAGYDMOY-QMMMGPOBSA-N 1 0 272.736 2.395 20 5 CEBDRO C[C@@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429588 346021409 /nfs/dbraw/zinc/02/14/09/346021409.db2.gz IFRCIJZMPXCUKK-QMMMGPOBSA-N 1 0 295.368 2.352 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596309797 345995855 /nfs/dbraw/zinc/99/58/55/345995855.db2.gz WQAWDSZZQHYNNP-LLVKDONJSA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nccn1C ZINC000596543913 346050912 /nfs/dbraw/zinc/05/09/12/346050912.db2.gz PRFYMKWDEGUCKH-SSDOTTSWSA-N 1 0 292.324 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000311545031 201890758 /nfs/dbraw/zinc/89/07/58/201890758.db2.gz ZEBXHCXXXNJKSS-CHWSQXEVSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000597348409 346175340 /nfs/dbraw/zinc/17/53/40/346175340.db2.gz GYBXHIVPARJBNP-LLVKDONJSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000597701582 346218849 /nfs/dbraw/zinc/21/88/49/346218849.db2.gz UUUCRRUDTIVYLB-WCQYABFASA-N 1 0 291.351 2.068 20 5 CEBDRO CCc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990932 346264935 /nfs/dbraw/zinc/26/49/35/346264935.db2.gz BCMMCCCOWMNUDK-NSHDSACASA-N 1 0 293.367 2.227 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)cs1 ZINC000336788468 365809208 /nfs/dbraw/zinc/80/92/08/365809208.db2.gz PITSIMCXCOQXKJ-ONGXEEELSA-N 1 0 270.354 2.297 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085362713 179034161 /nfs/dbraw/zinc/03/41/61/179034161.db2.gz PNCNWMPDVDJHRT-NEPJUHHUSA-N 1 0 277.324 2.359 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536652 346372040 /nfs/dbraw/zinc/37/20/40/346372040.db2.gz VESNDTCLRRJELA-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO C[NH2+]C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000598634975 346388936 /nfs/dbraw/zinc/38/89/36/346388936.db2.gz UGIBQIPMZWCUHN-UHFFFAOYSA-N 1 0 271.267 2.427 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221413 215020773 /nfs/dbraw/zinc/02/07/73/215020773.db2.gz BCEXSVPYOHINSD-CMPLNLGQSA-N 1 0 278.308 2.151 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065502 346454449 /nfs/dbraw/zinc/45/44/49/346454449.db2.gz LULRIDBPZCBDTL-GLQYFDAESA-N 1 0 294.351 2.094 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000063218441 362763023 /nfs/dbraw/zinc/76/30/23/362763023.db2.gz KGUBJMDECUPQKM-HNNXBMFYSA-N 1 0 286.331 2.288 20 5 CEBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602607040 347098142 /nfs/dbraw/zinc/09/81/42/347098142.db2.gz FTHSFEZSAGDHRU-MRVPVSSYSA-N 1 0 292.257 2.426 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599589740 346542910 /nfs/dbraw/zinc/54/29/10/346542910.db2.gz UMYPBMCRGUMMOG-JQWIXIFHSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599614964 346546294 /nfs/dbraw/zinc/54/62/94/346546294.db2.gz WSRPFODTZGSSPS-PWSUYJOCSA-N 1 0 292.339 2.165 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000085637483 179109788 /nfs/dbraw/zinc/10/97/88/179109788.db2.gz WYEUGNKQPSCCLN-YUTCNCBUSA-N 1 0 276.336 2.498 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000600682217 346672536 /nfs/dbraw/zinc/67/25/36/346672536.db2.gz MBTYIOAOXQUYKW-QPUJVOFHSA-N 1 0 269.732 2.088 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000600746417 346683429 /nfs/dbraw/zinc/68/34/29/346683429.db2.gz STTRRYMWUYHFMJ-GASCZTMLSA-N 1 0 293.342 2.165 20 5 CEBDRO O=C(CC[NH2+]CC1CC=CC1)Nc1ccccc1[N+](=O)[O-] ZINC000600752469 346684449 /nfs/dbraw/zinc/68/44/49/346684449.db2.gz YAERFGMXULYDOP-UHFFFAOYSA-N 1 0 289.335 2.479 20 5 CEBDRO Cc1c(CNC(=O)C[N@@H+](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000600824505 346697668 /nfs/dbraw/zinc/69/76/68/346697668.db2.gz BRGLLTOWPMLNDX-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)on1 ZINC000601113670 346756357 /nfs/dbraw/zinc/75/63/57/346756357.db2.gz IGYZQNDRRCOMRP-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185720 346780579 /nfs/dbraw/zinc/78/05/79/346780579.db2.gz ZSVGKPCQZCDGIH-MNOVXSKESA-N 1 0 279.315 2.122 20 5 CEBDRO CC[C@@H](CO)N(C)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170974 346776247 /nfs/dbraw/zinc/77/62/47/346776247.db2.gz XUPNXTQCUXBXSB-JTQLQIEISA-N 1 0 275.308 2.350 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000601183672 346779953 /nfs/dbraw/zinc/77/99/53/346779953.db2.gz BQECTCIEAQXWCE-MNOVXSKESA-N 1 0 281.381 2.353 20 5 CEBDRO CC[NH+]1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601103535 346753168 /nfs/dbraw/zinc/75/31/68/346753168.db2.gz CRYRFDVAGUHERV-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000601229062 346796290 /nfs/dbraw/zinc/79/62/90/346796290.db2.gz DHKLFCPOZUPFJT-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602635713 347116431 /nfs/dbraw/zinc/11/64/31/347116431.db2.gz BKOWXGRKAODOOF-NSHDSACASA-N 1 0 292.339 2.376 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336817723 365862883 /nfs/dbraw/zinc/86/28/83/365862883.db2.gz RONRTQFKPXHWDH-ZDUSSCGKSA-N 1 0 270.304 2.231 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705481 347160112 /nfs/dbraw/zinc/16/01/12/347160112.db2.gz GNOSLCOMMGRHSY-GWCFXTLKSA-N 1 0 287.323 2.024 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804594 347206801 /nfs/dbraw/zinc/20/68/01/347206801.db2.gz KEEQNPHVVKBTRN-GHMZBOCLSA-N 1 0 287.323 2.024 20 5 CEBDRO Cn1cc(C[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602810748 347208953 /nfs/dbraw/zinc/20/89/53/347208953.db2.gz IMHVDXQWZRMJEX-NSHDSACASA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602760403 347186986 /nfs/dbraw/zinc/18/69/86/347186986.db2.gz SSIFYDFOFOMEGM-NEPJUHHUSA-N 1 0 264.325 2.452 20 5 CEBDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602763161 347187818 /nfs/dbraw/zinc/18/78/18/347187818.db2.gz NQGCJMVRJLSINK-UHFFFAOYSA-N 1 0 266.345 2.364 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000602834584 347218458 /nfs/dbraw/zinc/21/84/58/347218458.db2.gz UJBMDVIBTVDVFN-LBPRGKRZSA-N 1 0 296.371 2.108 20 5 CEBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000602873435 347234279 /nfs/dbraw/zinc/23/42/79/347234279.db2.gz ONFCLYWQIIUGAF-STQMWFEESA-N 1 0 296.371 2.037 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CC1(C)C ZINC000602903916 347242879 /nfs/dbraw/zinc/24/28/79/347242879.db2.gz SQCMJHSSGCXOJB-LLVKDONJSA-N 1 0 266.345 2.078 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000603141540 347296221 /nfs/dbraw/zinc/29/62/21/347296221.db2.gz DIZKTOUPXMUJLO-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603144209 347297209 /nfs/dbraw/zinc/29/72/09/347297209.db2.gz VGCQBMBMVVDCFQ-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000602981402 347264986 /nfs/dbraw/zinc/26/49/86/347264986.db2.gz CNQPLVTZCMTTDC-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000603055153 347278024 /nfs/dbraw/zinc/27/80/24/347278024.db2.gz NDAHGPLAUXXONC-NSHDSACASA-N 1 0 268.361 2.405 20 5 CEBDRO C[C@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000603056047 347278161 /nfs/dbraw/zinc/27/81/61/347278161.db2.gz QDPDTGOAEOANAO-LLVKDONJSA-N 1 0 268.361 2.405 20 5 CEBDRO CCc1nn(C)c(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603405977 347360948 /nfs/dbraw/zinc/36/09/48/347360948.db2.gz JUCYJTKCGCHYND-MNOVXSKESA-N 1 0 295.387 2.031 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])C1(C)C ZINC000603408033 347362248 /nfs/dbraw/zinc/36/22/48/347362248.db2.gz WDVXPCMBCLMVCY-MNOVXSKESA-N 1 0 264.329 2.130 20 5 CEBDRO C[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000603427059 347367624 /nfs/dbraw/zinc/36/76/24/347367624.db2.gz LNQJTLNYKZVVIY-NWDGAFQWSA-N 1 0 266.345 2.350 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000609839937 347652388 /nfs/dbraw/zinc/65/23/88/347652388.db2.gz MBXFAXIYMKGKIU-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCCO)C3CC3)nc2c1 ZINC000610581714 347693197 /nfs/dbraw/zinc/69/31/97/347693197.db2.gz FIVANWCXMJECSQ-UHFFFAOYSA-N 1 0 291.307 2.083 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000610656618 347698863 /nfs/dbraw/zinc/69/88/63/347698863.db2.gz WYBFJHHMGKYILO-NXEZZACHSA-N 1 0 262.313 2.027 20 5 CEBDRO Cc1nc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610754913 347711586 /nfs/dbraw/zinc/71/15/86/347711586.db2.gz QBRPZORAMUSBQT-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CCCCC2)c1 ZINC000611462799 347781401 /nfs/dbraw/zinc/78/14/01/347781401.db2.gz AKADRHRBFQJUGN-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992273 365915151 /nfs/dbraw/zinc/91/51/51/365915151.db2.gz JPLRSEKQMRRJSB-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092409 347738924 /nfs/dbraw/zinc/73/89/24/347738924.db2.gz SRBOUUUIYKFCER-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611265127 347759877 /nfs/dbraw/zinc/75/98/77/347759877.db2.gz WZBMPSJFKGYKQY-SNVBAGLBSA-N 1 0 278.308 2.208 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000611510164 347787979 /nfs/dbraw/zinc/78/79/79/347787979.db2.gz BIMCTFFKROORKT-NXEZZACHSA-N 1 0 267.354 2.187 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612582075 347904242 /nfs/dbraw/zinc/90/42/42/347904242.db2.gz RLLIGDJGUYYGQP-CFVMTHIKSA-N 1 0 276.336 2.106 20 5 CEBDRO CC[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066405212 362864169 /nfs/dbraw/zinc/86/41/69/362864169.db2.gz RTMAGSVRGZKXAQ-GFCCVEGCSA-N 1 0 263.341 2.293 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614712519 348230808 /nfs/dbraw/zinc/23/08/08/348230808.db2.gz GPGIAOWJFWVUTK-ZIAGYGMSSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000128820467 187392603 /nfs/dbraw/zinc/39/26/03/187392603.db2.gz QVWVLTSNXTXLJE-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccsc1[N+](=O)[O-] ZINC000615489003 348336074 /nfs/dbraw/zinc/33/60/74/348336074.db2.gz SFNOBODYLSAFBO-UHFFFAOYSA-N 1 0 273.358 2.037 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000273377758 192131932 /nfs/dbraw/zinc/13/19/32/192131932.db2.gz HDKYINPRFVBGJV-WCQYABFASA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000339505046 215214680 /nfs/dbraw/zinc/21/46/80/215214680.db2.gz LAEAXPJJSZBCAX-KXQLTZBTSA-N 1 0 262.309 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CC1)CCC2 ZINC000618571577 348978992 /nfs/dbraw/zinc/97/89/92/348978992.db2.gz NSMQAEWWWVTAEK-AWEZNQCLSA-N 1 0 276.336 2.334 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCC[NH+](C)C ZINC000618461436 348951420 /nfs/dbraw/zinc/95/14/20/348951420.db2.gz JIMHWFLMUNTDMA-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357901503 233167050 /nfs/dbraw/zinc/16/70/50/233167050.db2.gz DLCBMZZYZMBVKR-LLVKDONJSA-N 1 0 252.318 2.056 20 5 CEBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000339623423 215273804 /nfs/dbraw/zinc/27/38/04/215273804.db2.gz YZOZCWWYGABEQD-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538629 180000077 /nfs/dbraw/zinc/00/00/77/180000077.db2.gz XIIQQIOCYPFZJI-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO CC[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550239 180002403 /nfs/dbraw/zinc/00/24/03/180002403.db2.gz WZNHWEFUWPQMBY-CYBMUJFWSA-N 1 0 293.367 2.411 20 5 CEBDRO NC(=O)CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271237723 191021870 /nfs/dbraw/zinc/02/18/70/191021870.db2.gz NNACOHYOHYLQCW-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412033179 233318806 /nfs/dbraw/zinc/31/88/06/233318806.db2.gz CPASINGBFJEWHJ-SNVBAGLBSA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071895 233329097 /nfs/dbraw/zinc/32/90/97/233329097.db2.gz HAEHHVABVCVDIE-WCQYABFASA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000271350033 191089102 /nfs/dbraw/zinc/08/91/02/191089102.db2.gz POHBGCNALSNCDW-TZMCWYRMSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091844923 180269567 /nfs/dbraw/zinc/26/95/67/180269567.db2.gz ZJCWIPQXQLUUFR-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000091959781 180292705 /nfs/dbraw/zinc/29/27/05/180292705.db2.gz AESBVZUXDLLUPL-JTQLQIEISA-N 1 0 250.298 2.282 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107690845 186185962 /nfs/dbraw/zinc/18/59/62/186185962.db2.gz MEJSVTQMQRDSHP-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000110646684 186309310 /nfs/dbraw/zinc/30/93/10/186309310.db2.gz RVLHQHAPJNXUQK-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000109808027 186274933 /nfs/dbraw/zinc/27/49/33/186274933.db2.gz VVHOBMFVDREBSD-CQSZACIVSA-N 1 0 263.341 2.121 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352223306 219370273 /nfs/dbraw/zinc/37/02/73/219370273.db2.gz VAZXBIZCONKAKB-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO CC[NH2+]CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000129915549 187460390 /nfs/dbraw/zinc/46/03/90/187460390.db2.gz ATQHWDITXDHYNE-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000111010185 186342474 /nfs/dbraw/zinc/34/24/74/186342474.db2.gz FBPAMLDIBJFDOI-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000413272042 233552180 /nfs/dbraw/zinc/55/21/80/233552180.db2.gz WZKUZNOAGVPFMZ-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352239404 219379323 /nfs/dbraw/zinc/37/93/23/219379323.db2.gz VPKJQYHGLPSMRK-ZDUSSCGKSA-N 1 0 293.367 2.378 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075244 363026714 /nfs/dbraw/zinc/02/67/14/363026714.db2.gz ZMUPIMZLZAODEE-TUAOUCFPSA-N 1 0 263.341 2.338 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070077833 363029898 /nfs/dbraw/zinc/02/98/98/363029898.db2.gz KOZNUZQSTNWNDP-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000070148353 363036527 /nfs/dbraw/zinc/03/65/27/363036527.db2.gz CIABZYRARYYBJR-ZDUSSCGKSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070172776 363046402 /nfs/dbraw/zinc/04/64/02/363046402.db2.gz XJLLSLOOVXRNMB-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[NH+]1CCC(CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070496191 363091725 /nfs/dbraw/zinc/09/17/25/363091725.db2.gz WZMICQBHICWYPV-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121852175 187000731 /nfs/dbraw/zinc/00/07/31/187000731.db2.gz DPFXKFMNNLMPCX-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1cc(NC[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000291916033 198104860 /nfs/dbraw/zinc/10/48/60/198104860.db2.gz RDXQENOXEWWAOM-VIFPVBQESA-N 1 0 285.319 2.352 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000123695402 187104929 /nfs/dbraw/zinc/10/49/29/187104929.db2.gz AOULJMSNCHINLH-CYBMUJFWSA-N 1 0 265.357 2.400 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070573914 363096510 /nfs/dbraw/zinc/09/65/10/363096510.db2.gz TWPXREBAJKNYLO-QWRGUYRKSA-N 1 0 277.324 2.359 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000450863760 282809271 /nfs/dbraw/zinc/80/92/71/282809271.db2.gz UDSKLHWYRSWLMC-LLVKDONJSA-N 1 0 295.387 2.040 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537488 363141790 /nfs/dbraw/zinc/14/17/90/363141790.db2.gz MCPOUWMYHZOKMW-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000292081265 198156532 /nfs/dbraw/zinc/15/65/32/198156532.db2.gz MGEYBBVWFIBESX-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494281089 290966661 /nfs/dbraw/zinc/96/66/61/290966661.db2.gz BKYUHJCXCOZOEX-BXUZGUMPSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257852 187954646 /nfs/dbraw/zinc/95/46/46/187954646.db2.gz IYALZCBCRBRYEK-ZWNOBZJWSA-N 1 0 290.323 2.298 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152823396 188046590 /nfs/dbraw/zinc/04/65/90/188046590.db2.gz ZANZDGKMEQGJOL-WZRBSPASSA-N 1 0 278.308 2.013 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000152950759 188054782 /nfs/dbraw/zinc/05/47/82/188054782.db2.gz RWWMMMRJELDJKC-BBBLOLIVSA-N 1 0 254.311 2.066 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153622684 188093106 /nfs/dbraw/zinc/09/31/06/188093106.db2.gz JKDDWZCNSBXTMZ-VIFPVBQESA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153541822 188087972 /nfs/dbraw/zinc/08/79/72/188087972.db2.gz GWAMCEAMRNBGRX-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000153926914 188112648 /nfs/dbraw/zinc/11/26/48/188112648.db2.gz ICKUIRQHFVSYEA-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000157842295 188342230 /nfs/dbraw/zinc/34/22/30/188342230.db2.gz PJWPXSABZSPNCR-AWEZNQCLSA-N 1 0 286.335 2.281 20 5 CEBDRO CCN(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757933 188392443 /nfs/dbraw/zinc/39/24/43/188392443.db2.gz YSBNVRQXNXAWJI-OAHLLOKOSA-N 1 0 291.395 2.457 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132757369 366168802 /nfs/dbraw/zinc/16/88/02/366168802.db2.gz ZYXBFGUSNXFCQQ-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000074738819 363380440 /nfs/dbraw/zinc/38/04/40/363380440.db2.gz NPDYBHROJSOXIQ-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO CC(=O)c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271767331 191314927 /nfs/dbraw/zinc/31/49/27/191314927.db2.gz FRIWMGMBEWTMDU-UHFFFAOYSA-N 1 0 289.335 2.471 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000451958444 283152156 /nfs/dbraw/zinc/15/21/56/283152156.db2.gz WEZIHQXDSFZWIE-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069665 283176758 /nfs/dbraw/zinc/17/67/58/283176758.db2.gz QJJVSPVYBMPBLT-GRYCIOLGSA-N 1 0 264.325 2.359 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067722 283176259 /nfs/dbraw/zinc/17/62/59/283176259.db2.gz IXELBPMEUTYSOM-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216636 299245579 /nfs/dbraw/zinc/24/55/79/299245579.db2.gz SAVBJLDBPQKTDU-AAEUAGOBSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000075757103 363486069 /nfs/dbraw/zinc/48/60/69/363486069.db2.gz MZFFMUWDLHBWHA-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000452117413 283193257 /nfs/dbraw/zinc/19/32/57/283193257.db2.gz CXYOZSXXDUTMMD-AWEZNQCLSA-N 1 0 278.352 2.232 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134352609 366312652 /nfs/dbraw/zinc/31/26/52/366312652.db2.gz LKLRNSHPUSWXOK-VIFPVBQESA-N 1 0 253.277 2.098 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469253 199051664 /nfs/dbraw/zinc/05/16/64/199051664.db2.gz WNPJUXUVUKPBBX-GXSJLCMTSA-N 1 0 265.313 2.007 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294594251 199100239 /nfs/dbraw/zinc/10/02/39/199100239.db2.gz CZBCZDYJNVLOPQ-LBPRGKRZSA-N 1 0 250.298 2.252 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135256592 366415815 /nfs/dbraw/zinc/41/58/15/366415815.db2.gz JTPWMYSSKOYBEF-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO CC1(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578119785 366446393 /nfs/dbraw/zinc/44/63/93/366446393.db2.gz LUYOGKNJBYLFOL-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135535167 366453142 /nfs/dbraw/zinc/45/31/42/366453142.db2.gz CRGCYSDNHCWRTO-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1nc(NCC(C)(C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000294921879 199248916 /nfs/dbraw/zinc/24/89/16/199248916.db2.gz IMRMJFNLRPTKOC-UHFFFAOYSA-N 1 0 293.371 2.227 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO)CCCC2 ZINC000417305771 237076412 /nfs/dbraw/zinc/07/64/12/237076412.db2.gz XPPVJVWTRSZVKK-AWEZNQCLSA-N 1 0 264.325 2.334 20 5 CEBDRO Cc1nc(N(C)CC[C@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000296971768 200050671 /nfs/dbraw/zinc/05/06/71/200050671.db2.gz DFADGDFHDKXCQW-GFCCVEGCSA-N 1 0 293.371 2.004 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148469493 366581772 /nfs/dbraw/zinc/58/17/72/366581772.db2.gz MYMWSKHNFBZUHN-MRVPVSSYSA-N 1 0 270.720 2.007 20 5 CEBDRO CN(CCC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000571246140 299301351 /nfs/dbraw/zinc/30/13/51/299301351.db2.gz IYMKCCMAEXDJTH-UHFFFAOYSA-N 1 0 257.359 2.040 20 5 CEBDRO Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525636 366651170 /nfs/dbraw/zinc/65/11/70/366651170.db2.gz ZPJZHQOTVKKRER-KOLCDFICSA-N 1 0 276.340 2.335 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000341873735 216133435 /nfs/dbraw/zinc/13/34/35/216133435.db2.gz AVOLGGMNEKEFAJ-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341872673 216133710 /nfs/dbraw/zinc/13/37/10/216133710.db2.gz HFNOVEHZEOMJAP-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO CCOC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081522508 363725836 /nfs/dbraw/zinc/72/58/36/363725836.db2.gz PPLDTWHHNQRSBK-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000178369429 189111350 /nfs/dbraw/zinc/11/13/50/189111350.db2.gz UOOFFKSRDATMRB-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375303 189111963 /nfs/dbraw/zinc/11/19/63/189111963.db2.gz GIRCRGOVCHFTOZ-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO CCOC[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712041 189139282 /nfs/dbraw/zinc/13/92/82/189139282.db2.gz CELZMXYPTIIRHR-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000179867450 189224919 /nfs/dbraw/zinc/22/49/19/189224919.db2.gz OXCJFDFCVFARFW-GFCCVEGCSA-N 1 0 294.351 2.378 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000180629520 189266427 /nfs/dbraw/zinc/26/64/27/189266427.db2.gz NWRIANGOMWCCDI-CYBMUJFWSA-N 1 0 266.341 2.134 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000579948808 366727871 /nfs/dbraw/zinc/72/78/71/366727871.db2.gz ZWYOCHLVUDZMMU-LBPRGKRZSA-N 1 0 282.340 2.065 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237094167 370690770 /nfs/dbraw/zinc/69/07/70/370690770.db2.gz KWPKDVOGXFMWGM-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000083629918 363781284 /nfs/dbraw/zinc/78/12/84/363781284.db2.gz UISAAUUKZRZWPY-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO CN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499088 366787020 /nfs/dbraw/zinc/78/70/20/366787020.db2.gz SLLOHJYHTLCLJT-AWEZNQCLSA-N 1 0 275.352 2.266 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000183451261 189359361 /nfs/dbraw/zinc/35/93/61/189359361.db2.gz SKFMENSNFXOGPG-GFCCVEGCSA-N 1 0 264.325 2.419 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000025494950 361626602 /nfs/dbraw/zinc/62/66/02/361626602.db2.gz VWQWNDVNUDXVNG-UHFFFAOYSA-N 1 0 281.360 2.053 20 5 CEBDRO CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087523358 363859463 /nfs/dbraw/zinc/85/94/63/363859463.db2.gz AIPAUOUTOYUTML-ZWNOBZJWSA-N 1 0 279.340 2.003 20 5 CEBDRO C[C@H](c1ccco1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090520568 364062636 /nfs/dbraw/zinc/06/26/36/364062636.db2.gz VWQQJTFHYQOIEX-LLVKDONJSA-N 1 0 291.307 2.043 20 5 CEBDRO Cc1c(Cn2cc3c(n2)[C@H]([NH3+])CCC3)cccc1[N+](=O)[O-] ZINC000581879037 366831415 /nfs/dbraw/zinc/83/14/15/366831415.db2.gz DDXOSBRQHDNOQY-CYBMUJFWSA-N 1 0 286.335 2.484 20 5 CEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380315 364802543 /nfs/dbraw/zinc/80/25/43/364802543.db2.gz XOQXKNYERAOXMJ-ABAIWWIYSA-N 1 0 296.367 2.490 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000112309048 364788881 /nfs/dbraw/zinc/78/88/81/364788881.db2.gz GXUGTDJKAPFRGB-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000112309885 364789970 /nfs/dbraw/zinc/78/99/70/364789970.db2.gz KPLAODGBMFZHGW-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112311597 364790973 /nfs/dbraw/zinc/79/09/73/364790973.db2.gz PJZPNHDOKSMQKO-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO COC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112986243 364862922 /nfs/dbraw/zinc/86/29/22/364862922.db2.gz KTTKSMKJDVEMKD-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000113516481 364904367 /nfs/dbraw/zinc/90/43/67/364904367.db2.gz RNAAWEQBUGBKCA-JTQLQIEISA-N 1 0 269.370 2.040 20 5 CEBDRO Cc1c(CN2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512955 364901532 /nfs/dbraw/zinc/90/15/32/364901532.db2.gz UXUKLGKDKURCOJ-CYBMUJFWSA-N 1 0 277.368 2.287 20 5 CEBDRO Cc1cnc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275378634 193015685 /nfs/dbraw/zinc/01/56/85/193015685.db2.gz BBPQHHWOTXYATA-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000118847445 365185151 /nfs/dbraw/zinc/18/51/51/365185151.db2.gz IJEJGZVJVGUMRU-LLVKDONJSA-N 1 0 258.343 2.297 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119007955 365199494 /nfs/dbraw/zinc/19/94/94/365199494.db2.gz BXEWFXYHBPJFML-FZMZJTMJSA-N 1 0 278.352 2.276 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120796874 365477162 /nfs/dbraw/zinc/47/71/62/365477162.db2.gz ZJUQJEDSURWMRW-STQMWFEESA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000302564039 201480668 /nfs/dbraw/zinc/48/06/68/201480668.db2.gz NDRPJLRXNVETBF-BXKDBHETSA-N 1 0 252.339 2.436 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000340862378 367063258 /nfs/dbraw/zinc/06/32/58/367063258.db2.gz GAIQSJFOMXKTMY-LLVKDONJSA-N 1 0 299.346 2.239 20 5 CEBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000161534255 367093457 /nfs/dbraw/zinc/09/34/57/367093457.db2.gz CQKVAAFGXAOXRB-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)n1 ZINC000162612727 367173790 /nfs/dbraw/zinc/17/37/90/367173790.db2.gz UKCCEINALVQFRR-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000225160533 189744493 /nfs/dbraw/zinc/74/44/93/189744493.db2.gz BYPAAYQPHJZATG-GRYCIOLGSA-N 1 0 263.341 2.338 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343530556 367867303 /nfs/dbraw/zinc/86/73/03/367867303.db2.gz ONSOXPPPGAASDR-JHJVBQTASA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCc3ccccc3C2)c1 ZINC000174852845 368072840 /nfs/dbraw/zinc/07/28/40/368072840.db2.gz WAOMRBAFGYIFJR-UHFFFAOYSA-N 1 0 286.335 2.240 20 5 CEBDRO C[N@H+]1CC=C(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000345138187 368165621 /nfs/dbraw/zinc/16/56/21/368165621.db2.gz HHZJVTXHKLWRGJ-UHFFFAOYSA-N 1 0 267.354 2.008 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186758738 369035550 /nfs/dbraw/zinc/03/55/50/369035550.db2.gz LKHPKJHRBVEGTE-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(CO)CC1 ZINC000186780846 369041677 /nfs/dbraw/zinc/04/16/77/369041677.db2.gz HIKBOIIHQHSQSB-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187112168 369103422 /nfs/dbraw/zinc/10/34/22/369103422.db2.gz JDJHQJLWPFAEHG-MCIONIFRSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1noc(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348904128 369195184 /nfs/dbraw/zinc/19/51/84/369195184.db2.gz LBMDPURIRBKMHM-UHFFFAOYSA-N 1 0 290.323 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000349976589 369473343 /nfs/dbraw/zinc/47/33/43/369473343.db2.gz PTCNJSRVZVSFNY-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000189338608 369500528 /nfs/dbraw/zinc/50/05/28/369500528.db2.gz GXNASLBRVIPJJQ-KBPBESRZSA-N 1 0 294.351 2.243 20 5 CEBDRO CO[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189284981 369489901 /nfs/dbraw/zinc/48/99/01/369489901.db2.gz HIOFTXZJUYPNJA-RISCZKNCSA-N 1 0 264.325 2.452 20 5 CEBDRO CCC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000190172668 369601060 /nfs/dbraw/zinc/60/10/60/369601060.db2.gz JBEPNAXZBNGDIY-UHFFFAOYSA-N 1 0 250.298 2.396 20 5 CEBDRO CCN(CCC[NH+](C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000190287245 369610680 /nfs/dbraw/zinc/61/06/80/369610680.db2.gz VECJMVOAGXEPML-UHFFFAOYSA-N 1 0 297.384 2.082 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328227 369613981 /nfs/dbraw/zinc/61/39/81/369613981.db2.gz NLBNOGZPKRYTRA-SECBINFHSA-N 1 0 270.358 2.338 20 5 CEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276431663 193329056 /nfs/dbraw/zinc/32/90/56/193329056.db2.gz KHZAYADNUWKBLJ-UHFFFAOYSA-N 1 0 296.371 2.117 20 5 CEBDRO CCOCCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352703565 369846905 /nfs/dbraw/zinc/84/69/05/369846905.db2.gz BUACBFAHOINICL-UHFFFAOYSA-N 1 0 280.324 2.216 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000192793044 369854441 /nfs/dbraw/zinc/85/44/41/369854441.db2.gz UXWXQIQKADCQDS-LBPRGKRZSA-N 1 0 278.356 2.463 20 5 CEBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352767884 369875313 /nfs/dbraw/zinc/87/53/13/369875313.db2.gz DAMJBCMGRPSWRN-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000352814437 369890885 /nfs/dbraw/zinc/89/08/85/369890885.db2.gz GKYQTKCKWOUDNI-GHMZBOCLSA-N 1 0 282.365 2.315 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193287353 369918560 /nfs/dbraw/zinc/91/85/60/369918560.db2.gz MRKMCLASKMEEDN-QWRGUYRKSA-N 1 0 279.340 2.208 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193384611 369935942 /nfs/dbraw/zinc/93/59/42/369935942.db2.gz IHDQXQYTVMIWDP-NSHDSACASA-N 1 0 278.356 2.463 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352899158 369940037 /nfs/dbraw/zinc/94/00/37/369940037.db2.gz BRSFRBHUFUCETO-UHFFFAOYSA-N 1 0 298.314 2.413 20 5 CEBDRO COc1ccc(C[NH2+]CCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000353063072 370005735 /nfs/dbraw/zinc/00/57/35/370005735.db2.gz KYXVMMNZJORYQI-UHFFFAOYSA-N 1 0 291.307 2.232 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)C2CC2)c(Cl)c1 ZINC000353158541 370046814 /nfs/dbraw/zinc/04/68/14/370046814.db2.gz WJGACMRQDQPRST-NSHDSACASA-N 1 0 284.743 2.356 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000217854323 370201954 /nfs/dbraw/zinc/20/19/54/370201954.db2.gz FSWNCFPNJVYOMJ-ZDUSSCGKSA-N 1 0 284.381 2.107 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354434859 370361927 /nfs/dbraw/zinc/36/19/27/370361927.db2.gz AYOFVCJOVGHKEI-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO COc1cc(N[C@@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000227859041 370386558 /nfs/dbraw/zinc/38/65/58/370386558.db2.gz QTWIWHFDSIIMIH-QMMMGPOBSA-N 1 0 271.292 2.105 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000230183862 370444289 /nfs/dbraw/zinc/44/42/89/370444289.db2.gz YSGCIOOMAADODH-SNVBAGLBSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235380059 370563337 /nfs/dbraw/zinc/56/33/37/370563337.db2.gz BLGXUQAPWMMNJI-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000236813957 370634333 /nfs/dbraw/zinc/63/43/33/370634333.db2.gz OANXPPBTRUEKGY-JTQLQIEISA-N 1 0 271.386 2.476 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450747 371196770 /nfs/dbraw/zinc/19/67/70/371196770.db2.gz ISZPEHHYIGGDEW-CHWSQXEVSA-N 1 0 296.367 2.312 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236243724 189832653 /nfs/dbraw/zinc/83/26/53/189832653.db2.gz XGGRNTCTHUSBGS-CYBMUJFWSA-N 1 0 292.339 2.234 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CO ZINC000249006463 371282115 /nfs/dbraw/zinc/28/21/15/371282115.db2.gz ZOMLEFKTLYFQBV-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359212025 371376706 /nfs/dbraw/zinc/37/67/06/371376706.db2.gz KGLDASZGFXLXKF-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000250121857 371377925 /nfs/dbraw/zinc/37/79/25/371377925.db2.gz VMEQZBTXINHNGU-MJBXVCDLSA-N 1 0 262.309 2.252 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000287325839 376206833 /nfs/dbraw/zinc/20/68/33/376206833.db2.gz XLEBUQAZNAOVSH-NSHDSACASA-N 1 0 293.367 2.398 20 5 CEBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000252561987 371457314 /nfs/dbraw/zinc/45/73/14/371457314.db2.gz WPQGPKLFMIOUPP-KBPBESRZSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637614 371686040 /nfs/dbraw/zinc/68/60/40/371686040.db2.gz CCQLLGDSRIRWGR-KGLIPLIRSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652618 371692604 /nfs/dbraw/zinc/69/26/04/371692604.db2.gz DKAGYBLNIIGIJN-PWSUYJOCSA-N 1 0 281.331 2.151 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833939 371746177 /nfs/dbraw/zinc/74/61/77/371746177.db2.gz QEUGUAHZNRDFNM-DRDHIDPGSA-N 1 0 275.352 2.279 20 5 CEBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361402067 371831057 /nfs/dbraw/zinc/83/10/57/371831057.db2.gz GHZYPNYBHDQNDK-CQSZACIVSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130901 217064413 /nfs/dbraw/zinc/06/44/13/217064413.db2.gz IIJDUXOVEWSJLI-YPMHNXCESA-N 1 0 278.352 2.496 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000344215553 217102809 /nfs/dbraw/zinc/10/28/09/217102809.db2.gz PHLIVJPNWQZMHH-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540767 372075953 /nfs/dbraw/zinc/07/59/53/372075953.db2.gz CCWJPZUYQSDRHE-JOYOIKCWSA-N 1 0 298.774 2.420 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344343436 217161289 /nfs/dbraw/zinc/16/12/89/217161289.db2.gz CNWNACPQRAOKBC-GXTWGEPZSA-N 1 0 277.368 2.476 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000344421702 217187643 /nfs/dbraw/zinc/18/76/43/217187643.db2.gz PMHGAFAVGQUIQQ-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CC[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000344432275 217189482 /nfs/dbraw/zinc/18/94/82/217189482.db2.gz HIRBBTPDMDXSBB-GFCCVEGCSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269621878 372509238 /nfs/dbraw/zinc/50/92/38/372509238.db2.gz BDOUUKOJQLARCM-COPLHBTASA-N 1 0 296.392 2.454 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269982006 372623754 /nfs/dbraw/zinc/62/37/54/372623754.db2.gz YCYDHAOQMJGPKN-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1nc(N2CCC[N@@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000363891017 372650806 /nfs/dbraw/zinc/65/08/06/372650806.db2.gz RRPWVRCUMKSCJE-UHFFFAOYSA-N 1 0 292.383 2.466 20 5 CEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000270595398 372860029 /nfs/dbraw/zinc/86/00/29/372860029.db2.gz USTKRWMWANCCSA-UHFFFAOYSA-N 1 0 281.356 2.125 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367452365 373156851 /nfs/dbraw/zinc/15/68/51/373156851.db2.gz UGUZMIIIFORZOP-CQSZACIVSA-N 1 0 262.309 2.350 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353589009 220176956 /nfs/dbraw/zinc/17/69/56/220176956.db2.gz FKHWSDCZVNRQLT-IYNGYCSASA-N 1 0 275.352 2.244 20 5 CEBDRO C[C@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000272624911 373588191 /nfs/dbraw/zinc/58/81/91/373588191.db2.gz JLDAOEIKNLKEPY-GXFFZTMASA-N 1 0 282.315 2.469 20 5 CEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000272601163 373575399 /nfs/dbraw/zinc/57/53/99/373575399.db2.gz UKIAPGPCLFOXMR-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274122342 373818940 /nfs/dbraw/zinc/81/89/40/373818940.db2.gz XEHFCCCRSHEDBS-GHMZBOCLSA-N 1 0 280.324 2.272 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000371900048 374001121 /nfs/dbraw/zinc/00/11/21/374001121.db2.gz UNFNENGTSQFRMJ-ZDUSSCGKSA-N 1 0 286.335 2.273 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000276448868 374232447 /nfs/dbraw/zinc/23/24/47/374232447.db2.gz MOHKRZVCKRQIDE-GFCCVEGCSA-N 1 0 265.357 2.067 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334104525 206014239 /nfs/dbraw/zinc/01/42/39/206014239.db2.gz VZYNADZTFFGBRG-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276934751 374350862 /nfs/dbraw/zinc/35/08/62/374350862.db2.gz RODSTPIKLYCIKE-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277291847 374466221 /nfs/dbraw/zinc/46/62/21/374466221.db2.gz OGNHMNXHLPGTTG-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277318514 374477181 /nfs/dbraw/zinc/47/71/81/374477181.db2.gz QOSAYXCPRLVPBG-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[S@](=O)C[C@H](C)C1 ZINC000277581109 374570069 /nfs/dbraw/zinc/57/00/69/374570069.db2.gz VUCHFKBZRQHFRQ-HTGLOVNISA-N 1 0 296.392 2.356 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279731787 374969334 /nfs/dbraw/zinc/96/93/34/374969334.db2.gz JRGDCPLPIKKQGO-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279997784 375057657 /nfs/dbraw/zinc/05/76/57/375057657.db2.gz JETGYIFKALFPSQ-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO COc1cccc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280309874 375165193 /nfs/dbraw/zinc/16/51/93/375165193.db2.gz SDVWHLLHOLJUET-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238886 375285214 /nfs/dbraw/zinc/28/52/14/375285214.db2.gz DFYNFJXZPLFYLH-ONGXEEELSA-N 1 0 267.304 2.046 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399753156 375368473 /nfs/dbraw/zinc/36/84/73/375368473.db2.gz VHMBBQMQCYECRJ-ZWNOBZJWSA-N 1 0 279.340 2.461 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1F ZINC000408472659 375494595 /nfs/dbraw/zinc/49/45/95/375494595.db2.gz WHAXCRFLOBINQI-MNOVXSKESA-N 1 0 294.330 2.192 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072704 375648425 /nfs/dbraw/zinc/64/84/25/375648425.db2.gz KFKBVMLIIFZMQU-ZYHUDNBSSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000283818221 375766548 /nfs/dbraw/zinc/76/65/48/375766548.db2.gz DWAVWHQHLURYJS-FNORWQNLSA-N 1 0 286.335 2.440 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000414654490 375903179 /nfs/dbraw/zinc/90/31/79/375903179.db2.gz GCZRBPNJCMPAEC-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414656730 375904667 /nfs/dbraw/zinc/90/46/67/375904667.db2.gz JCNVIJRKXDKXDA-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000414665311 375908172 /nfs/dbraw/zinc/90/81/72/375908172.db2.gz VEDCCMLHVUJDGK-LLVKDONJSA-N 1 0 294.355 2.398 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261608401 190041509 /nfs/dbraw/zinc/04/15/09/190041509.db2.gz DLCVMLAMWPCCRB-GXTWGEPZSA-N 1 0 291.351 2.119 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286556789 375993047 /nfs/dbraw/zinc/99/30/47/375993047.db2.gz STSFLARZPCYAMR-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414798415 375982772 /nfs/dbraw/zinc/98/27/72/375982772.db2.gz JBDJWNZRWWETMY-HZMBPMFUSA-N 1 0 281.331 2.341 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287425137 376229478 /nfs/dbraw/zinc/22/94/78/376229478.db2.gz SMBOQHFWZDUEPQ-LLVKDONJSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190617 376391041 /nfs/dbraw/zinc/39/10/41/376391041.db2.gz QWZWCNKJQYBJFT-HNNXBMFYSA-N 1 0 293.367 2.142 20 5 CEBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263656667 190072444 /nfs/dbraw/zinc/07/24/44/190072444.db2.gz CQMCLSUUBJLLGH-NSHDSACASA-N 1 0 250.298 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000289723542 376464459 /nfs/dbraw/zinc/46/44/59/376464459.db2.gz ZGHHOOCQBKXNHL-HNNXBMFYSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953457 376524602 /nfs/dbraw/zinc/52/46/02/376524602.db2.gz BKQABLYYDRUXAT-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263927453 190085658 /nfs/dbraw/zinc/08/56/58/190085658.db2.gz WDUUBNARYVTSRN-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000420191226 376602999 /nfs/dbraw/zinc/60/29/99/376602999.db2.gz HMKHAMKMDAFXGU-VIFPVBQESA-N 1 0 265.313 2.065 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420205573 376612608 /nfs/dbraw/zinc/61/26/08/376612608.db2.gz PMQDZAAXSGIAEM-VIFPVBQESA-N 1 0 265.313 2.065 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000310838111 376640238 /nfs/dbraw/zinc/64/02/38/376640238.db2.gz AMMVYTNIBWZMIY-GXSJLCMTSA-N 1 0 250.298 2.492 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000311646581 376679587 /nfs/dbraw/zinc/67/95/87/376679587.db2.gz DBTYWSZJIRCDTR-UHFFFAOYSA-N 1 0 270.304 2.327 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000312436702 376715276 /nfs/dbraw/zinc/71/52/76/376715276.db2.gz BRZLETQXCROOGJ-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420946962 376744965 /nfs/dbraw/zinc/74/49/65/376744965.db2.gz SRBNBTWYAFPLHE-NWDGAFQWSA-N 1 0 294.351 2.054 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422890893 376854995 /nfs/dbraw/zinc/85/49/95/376854995.db2.gz JJMXOLNEQUORJI-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942893 376870720 /nfs/dbraw/zinc/87/07/20/376870720.db2.gz KWSMXZFTVSEVRA-SUNKGSAMSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291152058 377093916 /nfs/dbraw/zinc/09/39/16/377093916.db2.gz DVBPYWJXIJIKJK-LBPRGKRZSA-N 1 0 282.340 2.330 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000331100617 377280949 /nfs/dbraw/zinc/28/09/49/377280949.db2.gz DAFSYOYSOBLUSE-MXWKQRLJSA-N 1 0 266.345 2.243 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCCC1(C)C ZINC000331103507 377282821 /nfs/dbraw/zinc/28/28/21/377282821.db2.gz FLBXKSSRNMRQAY-LLVKDONJSA-N 1 0 266.345 2.387 20 5 CEBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331125731 377291018 /nfs/dbraw/zinc/29/10/18/377291018.db2.gz OJOFCTSYKROBNA-WDEREUQCSA-N 1 0 266.345 2.387 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000293196587 377466531 /nfs/dbraw/zinc/46/65/31/377466531.db2.gz XLFXHURWDLCDRU-CQSZACIVSA-N 1 0 264.325 2.418 20 5 CEBDRO CC(=O)c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000265023414 190152869 /nfs/dbraw/zinc/15/28/69/190152869.db2.gz YQCLVGFGOVIQAF-GFCCVEGCSA-N 1 0 291.351 2.185 20 5 CEBDRO CN(CC[NH+](C)C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293260797 377495829 /nfs/dbraw/zinc/49/58/29/377495829.db2.gz XEAMHRGUEZJDAH-UHFFFAOYSA-N 1 0 257.721 2.246 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([NH3+])CC1 ZINC000430672124 377539019 /nfs/dbraw/zinc/53/90/19/377539019.db2.gz YOYAAHCXPGRRGY-UHFFFAOYSA-N 1 0 293.367 2.305 20 5 CEBDRO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000565144081 377570630 /nfs/dbraw/zinc/57/06/30/377570630.db2.gz XDBBPTOQNDQFTL-HAQNSBGRSA-N 1 0 280.324 2.036 20 5 CEBDRO COC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000293548713 377623417 /nfs/dbraw/zinc/62/34/17/377623417.db2.gz DSLIPJFNJZEMQS-CYBMUJFWSA-N 1 0 250.298 2.124 20 5 CEBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000332499750 377626494 /nfs/dbraw/zinc/62/64/94/377626494.db2.gz WDJJSAUNUJLNKX-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CCSCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332668425 377661004 /nfs/dbraw/zinc/66/10/04/377661004.db2.gz GOOKTACVOCBHPN-UHFFFAOYSA-N 1 0 267.354 2.101 20 5 CEBDRO CC(C)CC[C@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726950 377684526 /nfs/dbraw/zinc/68/45/26/377684526.db2.gz UJNVPZUTJHHLJE-AWEZNQCLSA-N 1 0 293.367 2.145 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC[C@H]2CCOC2)c1 ZINC000437790650 377864640 /nfs/dbraw/zinc/86/46/40/377864640.db2.gz VVIPIVPUMDJPTN-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294028509 377875775 /nfs/dbraw/zinc/87/57/75/377875775.db2.gz FJLSDFMIFJYSPS-GAJTVXKRSA-N 1 0 279.340 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCOC1)CC2 ZINC000438116674 377887500 /nfs/dbraw/zinc/88/75/00/377887500.db2.gz NOTNGDNPQLKACI-GFCCVEGCSA-N 1 0 276.336 2.380 20 5 CEBDRO COC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537617 378113905 /nfs/dbraw/zinc/11/39/05/378113905.db2.gz XGIKWBNKNNJFBU-FRRDWIJNSA-N 1 0 296.371 2.147 20 5 CEBDRO Cc1nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450489586 378446432 /nfs/dbraw/zinc/44/64/32/378446432.db2.gz ILAPWWQEMHPYTF-LBPRGKRZSA-N 1 0 293.371 2.226 20 5 CEBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450594426 378490957 /nfs/dbraw/zinc/49/09/57/378490957.db2.gz KUGHKLDOZFXLDZ-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1nc(NCCC[NH2+]C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296467357 378541745 /nfs/dbraw/zinc/54/17/45/378541745.db2.gz JTXLXUFZJKKVIG-UHFFFAOYSA-N 1 0 293.371 2.418 20 5 CEBDRO Cc1nc(NC[C@@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296527694 378563816 /nfs/dbraw/zinc/56/38/16/378563816.db2.gz NDMRHJQHKOPVQD-LLVKDONJSA-N 1 0 281.360 2.081 20 5 CEBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541898 378568073 /nfs/dbraw/zinc/56/80/73/378568073.db2.gz NYISJZJAXLRNER-QWRGUYRKSA-N 1 0 293.371 2.226 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296628341 378598399 /nfs/dbraw/zinc/59/83/99/378598399.db2.gz HQENYUCQFMNCKJ-HNNXBMFYSA-N 1 0 278.352 2.496 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257404 378843831 /nfs/dbraw/zinc/84/38/31/378843831.db2.gz NDMDKJULXSZNPW-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268690 378850155 /nfs/dbraw/zinc/85/01/55/378850155.db2.gz ZXSOJJJGJYSBEV-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243701 378837233 /nfs/dbraw/zinc/83/72/33/378837233.db2.gz AEECNTVTLNUWAF-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453407703 378892622 /nfs/dbraw/zinc/89/26/22/378892622.db2.gz MKCABWDLNVXPSP-MPKXVKKWSA-N 1 0 264.325 2.467 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413159 378894478 /nfs/dbraw/zinc/89/44/78/378894478.db2.gz SKMSBGNZSNNKKE-ZIAGYGMSSA-N 1 0 291.351 2.086 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000278542317 194034601 /nfs/dbraw/zinc/03/46/01/194034601.db2.gz AABVGYJGTDYVLG-UONOGXRCSA-N 1 0 298.314 2.018 20 5 CEBDRO CCNC(=O)C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000453600970 378918604 /nfs/dbraw/zinc/91/86/04/378918604.db2.gz FUTRRZYRDIVIRA-CLFYSBASSA-N 1 0 291.351 2.112 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCSC3)nc2c1 ZINC000278613579 194069593 /nfs/dbraw/zinc/06/95/93/194069593.db2.gz GQGBVIQEWNSWFM-VIFPVBQESA-N 1 0 292.364 2.456 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278619302 194071683 /nfs/dbraw/zinc/07/16/83/194071683.db2.gz JQHFYXXDECUYJV-ZFWWWQNUSA-N 1 0 294.351 2.187 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347271789 218174431 /nfs/dbraw/zinc/17/44/31/218174431.db2.gz SEVQPFVELVFMTJ-YPMHNXCESA-N 1 0 292.335 2.287 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C1 ZINC000299590763 379056847 /nfs/dbraw/zinc/05/68/47/379056847.db2.gz DUZDAKZYFPHRKM-WDEREUQCSA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301376160 379270571 /nfs/dbraw/zinc/27/05/71/379270571.db2.gz XPBCQBANXRHFGJ-JTQLQIEISA-N 1 0 266.345 2.378 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000266594860 190269267 /nfs/dbraw/zinc/26/92/67/190269267.db2.gz ARMZZPFWXWBCOM-CQSZACIVSA-N 1 0 282.340 2.364 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302906160 379477434 /nfs/dbraw/zinc/47/74/34/379477434.db2.gz WMSRNZGJANMQNR-UHFFFAOYSA-N 1 0 290.367 2.093 20 5 CEBDRO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000304019033 379511406 /nfs/dbraw/zinc/51/14/06/379511406.db2.gz XNBIYJXRVOEBAI-LBPRGKRZSA-N 1 0 266.341 2.229 20 5 CEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304063017 379518091 /nfs/dbraw/zinc/51/80/91/379518091.db2.gz RFKPPPILIJQAKE-RISCZKNCSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524908 379584584 /nfs/dbraw/zinc/58/45/84/379584584.db2.gz YYIXVUPCNXFSTP-YGRLFVJLSA-N 1 0 282.315 2.469 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000524690542 379627505 /nfs/dbraw/zinc/62/75/05/379627505.db2.gz ZEFPQSIHSPVEDK-GFCCVEGCSA-N 1 0 291.351 2.278 20 5 CEBDRO COc1cc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000268165546 190382281 /nfs/dbraw/zinc/38/22/81/190382281.db2.gz OTCYQOHONJSCMK-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000488759865 380132841 /nfs/dbraw/zinc/13/28/41/380132841.db2.gz DLPFQURSSBEZAW-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491883772 380372174 /nfs/dbraw/zinc/37/21/74/380372174.db2.gz HVOVXGJUONYVPN-CMDGGOBGSA-N 1 0 291.351 2.064 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN(C)C ZINC000348287298 218550371 /nfs/dbraw/zinc/55/03/71/218550371.db2.gz HNWZIUXVOLPNFC-CHWSQXEVSA-N 1 0 279.384 2.456 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000288586569 197120876 /nfs/dbraw/zinc/12/08/76/197120876.db2.gz JAXJPXJWJKOOBR-JTNHKYCSSA-N 1 0 291.351 2.160 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccncc2)cc1 ZINC000035677694 285111323 /nfs/dbraw/zinc/11/13/23/285111323.db2.gz NHXGKKZQICKXQC-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000289420512 197339072 /nfs/dbraw/zinc/33/90/72/197339072.db2.gz BHYVJMGNPXLEMP-ZDUSSCGKSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCCN3)c2c1 ZINC000413284045 285147900 /nfs/dbraw/zinc/14/79/00/285147900.db2.gz UNGNWXRFLWSZMC-UHFFFAOYSA-N 1 0 258.281 2.248 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414479156 285157454 /nfs/dbraw/zinc/15/74/54/285157454.db2.gz ICTLPHZQOHLGOU-NSHDSACASA-N 1 0 252.314 2.357 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266305388 285164107 /nfs/dbraw/zinc/16/41/07/285164107.db2.gz ZGTAMXRFOGPDHD-LBPRGKRZSA-N 1 0 259.309 2.045 20 5 CEBDRO C[NH+](C)[C@@]1(CNc2ccc(N)cc2[N+](=O)[O-])CCSC1 ZINC000288406061 197069334 /nfs/dbraw/zinc/06/93/34/197069334.db2.gz NAZLZHJBHHGKQC-CYBMUJFWSA-N 1 0 296.396 2.026 20 5 CEBDRO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281332069 195199858 /nfs/dbraw/zinc/19/98/58/195199858.db2.gz JKRASHSVFKZZMP-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000413249729 394512871 /nfs/dbraw/zinc/51/28/71/394512871.db2.gz QFJMUVVJIWUUHY-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]23CCOC3)cc1 ZINC000421013160 394462078 /nfs/dbraw/zinc/46/20/78/394462078.db2.gz FUGMNRWVLRPVMZ-CQSZACIVSA-N 1 0 262.309 2.002 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000421022932 394468558 /nfs/dbraw/zinc/46/85/58/394468558.db2.gz PJXGWHQLPKFLIZ-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421034421 394475193 /nfs/dbraw/zinc/47/51/93/394475193.db2.gz KEPCXQPDENQSSK-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000413113885 394484979 /nfs/dbraw/zinc/48/49/79/394484979.db2.gz DEYUJSYEPDUKQM-MRVPVSSYSA-N 1 0 268.292 2.024 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCC1(O)CCC1 ZINC000421371653 394514999 /nfs/dbraw/zinc/51/49/99/394514999.db2.gz KAKQACHEYTYATL-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766524 394498254 /nfs/dbraw/zinc/49/82/54/394498254.db2.gz AMQSANDHXDDNSP-OUJBWJOFSA-N 1 0 279.340 2.145 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179324 394499165 /nfs/dbraw/zinc/49/91/65/394499165.db2.gz WYUXSCLPNIOGOV-VHSXEESVSA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000421771622 394588989 /nfs/dbraw/zinc/58/89/89/394588989.db2.gz MOUAQCBZAWAVJB-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO COc1ccc(CNC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000308635651 394528985 /nfs/dbraw/zinc/52/89/85/394528985.db2.gz JCUWUVNPQRCFJF-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000308649342 394529734 /nfs/dbraw/zinc/52/97/34/394529734.db2.gz XWBHMOIQDRRBSK-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO Cc1nc(NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000308649714 394529753 /nfs/dbraw/zinc/52/97/53/394529753.db2.gz ZQGAMEKBZUYXBJ-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000413449449 394554738 /nfs/dbraw/zinc/55/47/38/394554738.db2.gz XNQYBBQNPKRNJU-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000092209550 394660592 /nfs/dbraw/zinc/66/05/92/394660592.db2.gz MEOTXGVACJEZNT-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000078617848 394627116 /nfs/dbraw/zinc/62/71/16/394627116.db2.gz DBIFSJSUQFWJNY-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013118 394644467 /nfs/dbraw/zinc/64/44/67/394644467.db2.gz WYNKBTBDGOSZEX-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000422115306 394678291 /nfs/dbraw/zinc/67/82/91/394678291.db2.gz BYBDBLKEBHVMNR-DPQIITEBSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558506 394681544 /nfs/dbraw/zinc/68/15/44/394681544.db2.gz FIJYZQAVAMXHFD-NEPJUHHUSA-N 1 0 263.341 2.371 20 5 CEBDRO COCC[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268024655 394689026 /nfs/dbraw/zinc/68/90/26/394689026.db2.gz WUZGNDATDMMWNI-ZDUSSCGKSA-N 1 0 293.367 2.142 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000357049654 394693298 /nfs/dbraw/zinc/69/32/98/394693298.db2.gz YJTLMTGRAXFTHG-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000268589351 394696665 /nfs/dbraw/zinc/69/66/65/394696665.db2.gz HDIOKOINMUUNJQ-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268809483 394700137 /nfs/dbraw/zinc/70/01/37/394700137.db2.gz GRMLXBSXEJEQCA-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017919 394707861 /nfs/dbraw/zinc/70/78/61/394707861.db2.gz OZUNJCQYKGFUKD-SMDDNHRTSA-N 1 0 289.339 2.316 20 5 CEBDRO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000422587931 394714933 /nfs/dbraw/zinc/71/49/33/394714933.db2.gz GAUVJAZFWXLJOE-SNVBAGLBSA-N 1 0 294.355 2.082 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)O ZINC000271134269 394747505 /nfs/dbraw/zinc/74/75/05/394747505.db2.gz MSGQLUMHRZPVTK-GHMZBOCLSA-N 1 0 284.381 2.436 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000269714918 394721480 /nfs/dbraw/zinc/72/14/80/394721480.db2.gz RPNFSUZUUQTEII-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH2+]CC1 ZINC000422687252 394723767 /nfs/dbraw/zinc/72/37/67/394723767.db2.gz BERCSVFPXAOPSJ-UHFFFAOYSA-N 1 0 291.351 2.002 20 5 CEBDRO CC[NH2+]CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414833516 394760393 /nfs/dbraw/zinc/76/03/93/394760393.db2.gz SIDHEQFRZAARNO-UHFFFAOYSA-N 1 0 265.357 2.417 20 5 CEBDRO C[C@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000414896640 394793513 /nfs/dbraw/zinc/79/35/13/394793513.db2.gz CJYJQXNLIBYTSA-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000361163638 394818037 /nfs/dbraw/zinc/81/80/37/394818037.db2.gz BMGVPXNSLYUTJE-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364305385 394892655 /nfs/dbraw/zinc/89/26/55/394892655.db2.gz KOSLHVWQAQCRIL-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+][C@@H]1C ZINC000423386787 394909245 /nfs/dbraw/zinc/90/92/45/394909245.db2.gz RRHUKSXBEKLHPZ-BZPMIXESSA-N 1 0 277.368 2.256 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000338667996 394926040 /nfs/dbraw/zinc/92/60/40/394926040.db2.gz RJHFNYUCZFCGAI-AWEZNQCLSA-N 1 0 279.340 2.356 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415498721 394938203 /nfs/dbraw/zinc/93/82/03/394938203.db2.gz JDSDJTDGIZQJDQ-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153449466 395008296 /nfs/dbraw/zinc/00/82/96/395008296.db2.gz ZVLFMTFLOJGXPU-OAHLLOKOSA-N 1 0 292.335 2.086 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286504338 395023489 /nfs/dbraw/zinc/02/34/89/395023489.db2.gz YLTYDENLAFAHSQ-TZMCWYRMSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[N@H+](CCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135581969 394967054 /nfs/dbraw/zinc/96/70/54/394967054.db2.gz DAVFDDYIMNQZPO-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000285819845 394968537 /nfs/dbraw/zinc/96/85/37/394968537.db2.gz GTAHDQBMYKAKMZ-MWLCHTKSSA-N 1 0 282.365 2.445 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000343960543 395047972 /nfs/dbraw/zinc/04/79/72/395047972.db2.gz LJEFRMKDSUJMTF-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000494237209 395101768 /nfs/dbraw/zinc/10/17/68/395101768.db2.gz JNUNXUXWSURLIZ-OTYXRUKQSA-N 1 0 298.314 2.400 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000289912502 395090664 /nfs/dbraw/zinc/09/06/64/395090664.db2.gz UVENBELLQLBHRE-LLVKDONJSA-N 1 0 268.313 2.118 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423958553 395035193 /nfs/dbraw/zinc/03/51/93/395035193.db2.gz QSQKIPPIKRVOAA-JTQLQIEISA-N 1 0 285.369 2.068 20 5 CEBDRO COc1ccc(CNCc2snnc2C)cc1[N+](=O)[O-] ZINC000291643298 395148723 /nfs/dbraw/zinc/14/87/23/395148723.db2.gz BTHHVFMLMFKYFE-UHFFFAOYSA-N 1 0 294.336 2.053 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000178639878 395171035 /nfs/dbraw/zinc/17/10/35/395171035.db2.gz AROXDDAJWPTFOL-JTQLQIEISA-N 1 0 279.340 2.208 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000433151831 395204392 /nfs/dbraw/zinc/20/43/92/395204392.db2.gz PBNGZQLBLBEDDG-JQWIXIFHSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433160065 395206490 /nfs/dbraw/zinc/20/64/90/395206490.db2.gz GGOHWTDIHGBIEA-AWEZNQCLSA-N 1 0 296.367 2.121 20 5 CEBDRO Cc1cnc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292863658 395208115 /nfs/dbraw/zinc/20/81/15/395208115.db2.gz SKFSZQDVGVDEAW-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO CC[N@@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000408171977 395292971 /nfs/dbraw/zinc/29/29/71/395292971.db2.gz QELRHEWTEXQIPY-UHFFFAOYSA-N 1 0 278.356 2.139 20 5 CEBDRO COCCCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000419392953 395270086 /nfs/dbraw/zinc/27/00/86/395270086.db2.gz ZLOZUICWDOGEQA-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO C[S@](=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000441198525 395379585 /nfs/dbraw/zinc/37/95/85/395379585.db2.gz IRKGNMPSPXHBRS-MNBNYPOFSA-N 1 0 294.376 2.109 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420363043 395349983 /nfs/dbraw/zinc/34/99/83/395349983.db2.gz NRDKIVPKYNPDNF-ZDUSSCGKSA-N 1 0 281.331 2.212 20 5 CEBDRO CC(C)[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444774464 395454392 /nfs/dbraw/zinc/45/43/92/395454392.db2.gz WIIRKFZATHLZEJ-LLVKDONJSA-N 1 0 266.345 2.196 20 5 CEBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000444610609 395439748 /nfs/dbraw/zinc/43/97/48/395439748.db2.gz OUUVAUSVWLMNFU-JTQLQIEISA-N 1 0 292.339 2.062 20 5 CEBDRO C[NH+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473880 395528805 /nfs/dbraw/zinc/52/88/05/395528805.db2.gz DURVHQZCRNWGMJ-ZDUSSCGKSA-N 1 0 263.341 2.123 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000566138853 395501771 /nfs/dbraw/zinc/50/17/71/395501771.db2.gz RMRPCJXFGPLYJM-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000573853644 395621084 /nfs/dbraw/zinc/62/10/84/395621084.db2.gz NBMCUPZKNBHKRE-SWLSCSKDSA-N 1 0 296.367 2.360 20 5 CEBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449462197 395549511 /nfs/dbraw/zinc/54/95/11/395549511.db2.gz UUWSULDRTHGSSK-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO CCN(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574464321 395630592 /nfs/dbraw/zinc/63/05/92/395630592.db2.gz GEFNSARVGDXEBP-CYBMUJFWSA-N 1 0 263.341 2.123 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc2[nH]ccc21 ZINC000494019081 395678589 /nfs/dbraw/zinc/67/85/89/395678589.db2.gz RTLOIJLRDJMRAK-UHFFFAOYSA-N 1 0 299.334 2.405 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135222137 400279389 /nfs/dbraw/zinc/27/93/89/400279389.db2.gz PFJMXWAFHYIUDX-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156421747 289195420 /nfs/dbraw/zinc/19/54/20/289195420.db2.gz PQGCNCSMXNIRKI-JTQLQIEISA-N 1 0 267.304 2.488 20 5 CEBDRO C[N@@H+]1CC[C@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000191208233 153165377 /nfs/dbraw/zinc/16/53/77/153165377.db2.gz IIDHEPZOFQBVOQ-VIFPVBQESA-N 1 0 253.327 2.034 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195009555 153273228 /nfs/dbraw/zinc/27/32/28/153273228.db2.gz FDWVTKQBJFAOGB-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CC(=O)c1cc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000228261218 153364656 /nfs/dbraw/zinc/36/46/56/153364656.db2.gz YOILOCYQQLBMLO-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230155391 153384185 /nfs/dbraw/zinc/38/41/85/153384185.db2.gz HGVRSEHTKOCQJY-GZMMTYOYSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263145393 154024765 /nfs/dbraw/zinc/02/47/65/154024765.db2.gz CQEVGYNATRSXIA-SWLSCSKDSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263277563 154048513 /nfs/dbraw/zinc/04/85/13/154048513.db2.gz TVBSAMNBWZRGQA-JSGCOSHPSA-N 1 0 277.324 2.441 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@@H]1O ZINC000352663878 154328538 /nfs/dbraw/zinc/32/85/38/154328538.db2.gz AFWZWJKPHHVVKI-RYUDHWBXSA-N 1 0 291.307 2.081 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000359063177 154870655 /nfs/dbraw/zinc/87/06/55/154870655.db2.gz RCJIBOQMSUDMEH-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430910 155012777 /nfs/dbraw/zinc/01/27/77/155012777.db2.gz SVRSMIWLJHJCIT-WFASDCNBSA-N 1 0 294.351 2.359 20 5 CEBDRO Cc1c[nH+]ccc1NCCc1ccccc1[N+](=O)[O-] ZINC000359537774 155049849 /nfs/dbraw/zinc/04/98/49/155049849.db2.gz ZQPJNAKVDUPDQS-UHFFFAOYSA-N 1 0 257.293 2.375 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000363224122 156015665 /nfs/dbraw/zinc/01/56/65/156015665.db2.gz QFADKONCJPNOKG-NNQSOWQGSA-N 1 0 276.336 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000363878012 156045056 /nfs/dbraw/zinc/04/50/56/156045056.db2.gz XRWJDMLKEWKXND-BBRMVZONSA-N 1 0 289.379 2.429 20 5 CEBDRO C[C@@H](F)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514743 156196969 /nfs/dbraw/zinc/19/69/69/156196969.db2.gz OTZDGYUYSCYYAR-MNOVXSKESA-N 1 0 270.308 2.176 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000371401426 156658006 /nfs/dbraw/zinc/65/80/06/156658006.db2.gz OUGQBLVLGHTPCZ-WCQYABFASA-N 1 0 298.364 2.084 20 5 CEBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163742143 162333770 /nfs/dbraw/zinc/33/37/70/162333770.db2.gz FFTKUXLBDJFEKP-WDEREUQCSA-N 1 0 292.339 2.043 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)c1 ZINC000166908550 162354861 /nfs/dbraw/zinc/35/48/61/162354861.db2.gz RJZUEGQVCONSLY-SNVBAGLBSA-N 1 0 265.313 2.157 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605409 162365718 /nfs/dbraw/zinc/36/57/18/162365718.db2.gz XDTKJDKBAVFHOH-GHMZBOCLSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008015 165092028 /nfs/dbraw/zinc/09/20/28/165092028.db2.gz ZZZLYVUSRPRQLO-RYUDHWBXSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008030 165092101 /nfs/dbraw/zinc/09/21/01/165092101.db2.gz ZZZLYVUSRPRQLO-VXGBXAGGSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000284333904 196032586 /nfs/dbraw/zinc/03/25/86/196032586.db2.gz QOGGOWJKBCKYAW-ZDUSSCGKSA-N 1 0 252.314 2.044 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032205 196182313 /nfs/dbraw/zinc/18/23/13/196182313.db2.gz HUQPQRLABCDBBU-JBLDHEPKSA-N 1 0 279.340 2.253 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000037537556 173257161 /nfs/dbraw/zinc/25/71/61/173257161.db2.gz YQAHDSYLSMYQHU-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038046032 174054460 /nfs/dbraw/zinc/05/44/60/174054460.db2.gz XBDVXHSFLMVXJX-LBPRGKRZSA-N 1 0 280.324 2.120 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454405 174267167 /nfs/dbraw/zinc/26/71/67/174267167.db2.gz YABXPLSLKZJKTM-LLVKDONJSA-N 1 0 279.344 2.061 20 5 CEBDRO [NH3+]CCCCCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676262 174373933 /nfs/dbraw/zinc/37/39/33/174373933.db2.gz PCWQFHVIDJVVKS-UHFFFAOYSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1c(OCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000043497988 175058302 /nfs/dbraw/zinc/05/83/02/175058302.db2.gz MOABPDRWPVUVEE-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000044572271 175209980 /nfs/dbraw/zinc/20/99/80/175209980.db2.gz ACIOFZAJDXKTRG-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685520 175231579 /nfs/dbraw/zinc/23/15/79/175231579.db2.gz IZRRMCSFMLSICC-AAEUAGOBSA-N 1 0 275.352 2.482 20 5 CEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070170219 175876744 /nfs/dbraw/zinc/87/67/44/175876744.db2.gz DHVUGFNTPMLQPP-NSHDSACASA-N 1 0 292.339 2.188 20 5 CEBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000071315431 176121438 /nfs/dbraw/zinc/12/14/38/176121438.db2.gz XVXXSODBKOZIEU-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000077453819 177270471 /nfs/dbraw/zinc/27/04/71/177270471.db2.gz ICPKUCIKEVLMBA-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000566858593 299027534 /nfs/dbraw/zinc/02/75/34/299027534.db2.gz RUEHKVRERNTZKD-FZMZJTMJSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447604223 260077838 /nfs/dbraw/zinc/07/78/38/260077838.db2.gz ZIIILJHLPZVOJH-RVMXOQNASA-N 1 0 296.371 2.024 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390532 263261173 /nfs/dbraw/zinc/26/11/73/263261173.db2.gz YFICBOOAFUGZMZ-KOLCDFICSA-N 1 0 279.340 2.078 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000420629157 270545123 /nfs/dbraw/zinc/54/51/23/270545123.db2.gz CAMJAKFIBCEEGD-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420633300 270546585 /nfs/dbraw/zinc/54/65/85/270546585.db2.gz ISEYPZXQANFUMD-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO CON1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000421204707 270598941 /nfs/dbraw/zinc/59/89/41/270598941.db2.gz FZANMUABULOZDI-NSHDSACASA-N 1 0 279.340 2.271 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423615409 270928096 /nfs/dbraw/zinc/92/80/96/270928096.db2.gz RAUKWBJQZAEYLA-AAEUAGOBSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1c(CN[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424332771 271047410 /nfs/dbraw/zinc/04/74/10/271047410.db2.gz LHEMXQLLYZJYLE-CHWSQXEVSA-N 1 0 263.341 2.263 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000429265821 271317580 /nfs/dbraw/zinc/31/75/80/271317580.db2.gz RHJSBHKRJUOFJO-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000430202377 271361501 /nfs/dbraw/zinc/36/15/01/271361501.db2.gz CJBRITIRHGHSGF-NSHDSACASA-N 1 0 280.324 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000430207410 271363759 /nfs/dbraw/zinc/36/37/59/271363759.db2.gz QIWSLKSARMQXRA-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(CO)CC1 ZINC000430220664 271365455 /nfs/dbraw/zinc/36/54/55/271365455.db2.gz CIWKRVFNWKNSAL-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565462 271391759 /nfs/dbraw/zinc/39/17/59/271391759.db2.gz AHHTYDABITUMBE-SWLSCSKDSA-N 1 0 293.367 2.033 20 5 CEBDRO COc1ccc(CN[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000430595102 271396226 /nfs/dbraw/zinc/39/62/26/271396226.db2.gz HBQIJHJHRWVJPV-AWEZNQCLSA-N 1 0 281.356 2.066 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000266246807 273642162 /nfs/dbraw/zinc/64/21/62/273642162.db2.gz ZAZSAVUJTXAWLO-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369412 274334112 /nfs/dbraw/zinc/33/41/12/274334112.db2.gz YMSXVCWYSVGPNR-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000261748617 274660274 /nfs/dbraw/zinc/66/02/74/274660274.db2.gz SUOHYEDIJSASMR-DRCTWCGVSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]C(C)C)CC1 ZINC000264969169 274723974 /nfs/dbraw/zinc/72/39/74/274723974.db2.gz OWVGNYNABYIGGG-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291036943 275550055 /nfs/dbraw/zinc/55/00/55/275550055.db2.gz YUVCBLXXHVQDGF-AWEZNQCLSA-N 1 0 278.352 2.482 20 5 CEBDRO CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000286568169 277530049 /nfs/dbraw/zinc/53/00/49/277530049.db2.gz RFJACRBJBRTHEF-RYUDHWBXSA-N 1 0 299.371 2.216 20 5 CEBDRO COc1cccc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000185296039 278015660 /nfs/dbraw/zinc/01/56/60/278015660.db2.gz AIDHQDKFMVIBRI-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000186265711 278188397 /nfs/dbraw/zinc/18/83/97/278188397.db2.gz UJRPUJIZYADTPA-LLVKDONJSA-N 1 0 295.339 2.182 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228077232 278218255 /nfs/dbraw/zinc/21/82/55/278218255.db2.gz RBTBOMIVXXZFTA-VWYCJHECSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149424918 278305216 /nfs/dbraw/zinc/30/52/16/278305216.db2.gz PMVXQQRTZPHPJC-MRVPVSSYSA-N 1 0 284.747 2.207 20 5 CEBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365432930 278327479 /nfs/dbraw/zinc/32/74/79/278327479.db2.gz OTOFFWOIVHIFRZ-JTQLQIEISA-N 1 0 264.329 2.093 20 5 CEBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000182069495 279346731 /nfs/dbraw/zinc/34/67/31/279346731.db2.gz WFJLADVDPHVDLQ-ZDUSSCGKSA-N 1 0 288.351 2.260 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134627036 280027482 /nfs/dbraw/zinc/02/74/82/280027482.db2.gz YTOAPCZQJBDZAI-RWMBFGLXSA-N 1 0 276.336 2.491 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135740863 280054121 /nfs/dbraw/zinc/05/41/21/280054121.db2.gz ZURRIORGNAICFE-AWEZNQCLSA-N 1 0 293.367 2.408 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000150242651 280079626 /nfs/dbraw/zinc/07/96/26/280079626.db2.gz AITTVCWYJGAHMB-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185715760 280126320 /nfs/dbraw/zinc/12/63/20/280126320.db2.gz BCQHYMJKAGBLRM-BDAKNGLRSA-N 1 0 286.353 2.334 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063192848 280204859 /nfs/dbraw/zinc/20/48/59/280204859.db2.gz RQKSCAXESKQHCN-BXUZGUMPSA-N 1 0 291.351 2.245 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000189962533 280364482 /nfs/dbraw/zinc/36/44/82/280364482.db2.gz JPLUTTIEDBNDKV-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201291 280663910 /nfs/dbraw/zinc/66/39/10/280663910.db2.gz YMPBTBHEZIKSCW-CQSZACIVSA-N 1 0 290.367 2.267 20 5 CEBDRO Cc1cccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000353999786 281190289 /nfs/dbraw/zinc/19/02/89/281190289.db2.gz MWNGHKKWPGHBEK-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000291849879 281195122 /nfs/dbraw/zinc/19/51/22/281195122.db2.gz JPRYDUXIUFOIAB-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266245673 281260581 /nfs/dbraw/zinc/26/05/81/281260581.db2.gz MALVNKPTDRUUPV-ZDUSSCGKSA-N 1 0 273.336 2.354 20 5 CEBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301623359 281925134 /nfs/dbraw/zinc/92/51/34/281925134.db2.gz GFLBFGPSHBYPIO-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459615989 290195552 /nfs/dbraw/zinc/19/55/52/290195552.db2.gz PQJBTACEXIAFAY-SWLSCSKDSA-N 1 0 293.367 2.315 20 5 CEBDRO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000459793408 290241992 /nfs/dbraw/zinc/24/19/92/290241992.db2.gz JZUBOMRUVFUDRD-NSHDSACASA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)n1 ZINC000487080531 290330892 /nfs/dbraw/zinc/33/08/92/290330892.db2.gz STIFYZPAXBBIGI-CYBMUJFWSA-N 1 0 292.383 2.383 20 5 CEBDRO CC(C)[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487076358 290330979 /nfs/dbraw/zinc/33/09/79/290330979.db2.gz UTEBEGAKAGXHOD-CQSZACIVSA-N 1 0 263.341 2.371 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000487663427 290357975 /nfs/dbraw/zinc/35/79/75/290357975.db2.gz HMLYIQJAKOTHJZ-CMPLNLGQSA-N 1 0 264.329 2.275 20 5 CEBDRO CC(C)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488010244 290374477 /nfs/dbraw/zinc/37/44/77/290374477.db2.gz PFOOQIBNIQAQMP-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO CS[C@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000517026134 297612652 /nfs/dbraw/zinc/61/26/52/297612652.db2.gz LDLLWLHBSCLQIH-OLZOCXBDSA-N 1 0 282.365 2.457 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967892 298127118 /nfs/dbraw/zinc/12/71/18/298127118.db2.gz GZHPAYRGTKVRCO-WFASDCNBSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000536875905 298206779 /nfs/dbraw/zinc/20/67/79/298206779.db2.gz KNZQFGUDWMRNIR-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541596065 298280926 /nfs/dbraw/zinc/28/09/26/298280926.db2.gz ZPLUPQQVBIQQRK-JTQLQIEISA-N 1 0 289.335 2.454 20 5 CEBDRO CC/C=C\CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547350509 298364248 /nfs/dbraw/zinc/36/42/48/298364248.db2.gz ZPCGYRLBYSGBAN-ARJAWSKDSA-N 1 0 290.367 2.468 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097773 298393679 /nfs/dbraw/zinc/39/36/79/298393679.db2.gz VGKCYBZHYBPRNL-PHIMTYICSA-N 1 0 250.298 2.456 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000565306811 298893552 /nfs/dbraw/zinc/89/35/52/298893552.db2.gz DDZCVGBWHMYGNX-OLZOCXBDSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261851327 300490602 /nfs/dbraw/zinc/49/06/02/300490602.db2.gz QFCAFFKELSIJGD-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc[nH]c1 ZINC000175706838 312701768 /nfs/dbraw/zinc/70/17/68/312701768.db2.gz NGIUYWHHAVHKCC-UHFFFAOYSA-N 1 0 261.281 2.221 20 5 CEBDRO COc1ccc(C[N@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000531343618 313322885 /nfs/dbraw/zinc/32/28/85/313322885.db2.gz KJFONJBGQGPZLW-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000566777124 313868783 /nfs/dbraw/zinc/86/87/83/313868783.db2.gz NIAYXBKZRLVVAW-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO CSc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000567926291 313922383 /nfs/dbraw/zinc/92/23/83/313922383.db2.gz FXTJLEHDHGRVPG-BDAKNGLRSA-N 1 0 297.380 2.172 20 5 CEBDRO [NH3+]C1(c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000568087136 313929485 /nfs/dbraw/zinc/92/94/85/313929485.db2.gz QLENKLKULCUUML-SREVYHEPSA-N 1 0 286.291 2.486 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCn2ccnc2C1 ZINC000570174904 314029435 /nfs/dbraw/zinc/02/94/35/314029435.db2.gz GRYDHQJPHUYMCQ-FZMZJTMJSA-N 1 0 298.346 2.383 20 5 CEBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000573083857 314138879 /nfs/dbraw/zinc/13/88/79/314138879.db2.gz FYSPAGANUDBMQY-NEPJUHHUSA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)CC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000575916649 314225319 /nfs/dbraw/zinc/22/53/19/314225319.db2.gz UJMBAGMFVVWGBW-CQSZACIVSA-N 1 0 266.341 2.482 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC([NH+](C)C)C1 ZINC000575934810 314227078 /nfs/dbraw/zinc/22/70/78/314227078.db2.gz XZVJROYLUPYNMS-UHFFFAOYSA-N 1 0 293.367 2.176 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000382410170 321839001 /nfs/dbraw/zinc/83/90/01/321839001.db2.gz DGTDOMQTSDSYLZ-YUMQZZPRSA-N 1 0 293.352 2.281 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000581005682 322361177 /nfs/dbraw/zinc/36/11/77/322361177.db2.gz YTXHCDVTWCMCGW-NWDGAFQWSA-N 1 0 291.351 2.163 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000582546333 322482230 /nfs/dbraw/zinc/48/22/30/322482230.db2.gz NRIWIQDVQZVNOA-VHSXEESVSA-N 1 0 294.355 2.459 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000562762613 327513229 /nfs/dbraw/zinc/51/32/29/327513229.db2.gz NCAIYUBXZGVEHS-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2CC23CC3)c([N+](=O)[O-])cc1O ZINC000418098816 533877219 /nfs/dbraw/zinc/87/72/19/533877219.db2.gz PAKYREDZEIRPAY-JTQLQIEISA-N 1 0 278.308 2.199 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000157435717 521185078 /nfs/dbraw/zinc/18/50/78/521185078.db2.gz BYUPDTBAOWSAGI-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000069091999 521513615 /nfs/dbraw/zinc/51/36/15/521513615.db2.gz GOGPSJHLUDVAHJ-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO COC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727263 523010192 /nfs/dbraw/zinc/01/01/92/523010192.db2.gz RAPUIPJESKQGTB-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050373049 523981446 /nfs/dbraw/zinc/98/14/46/523981446.db2.gz KIIXFUPSTQNDQC-KBPBESRZSA-N 1 0 264.325 2.294 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1F ZINC000047873271 524033670 /nfs/dbraw/zinc/03/36/70/524033670.db2.gz BJNJLPCTBFITGD-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000058003265 524507592 /nfs/dbraw/zinc/50/75/92/524507592.db2.gz OWMBJJLXMHGDRM-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096480845 527352319 /nfs/dbraw/zinc/35/23/19/527352319.db2.gz YGOLARCOGDMRSH-UHFFFAOYSA-N 1 0 258.705 2.109 20 5 CEBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192642476 527980344 /nfs/dbraw/zinc/98/03/44/527980344.db2.gz SAXFYTXCNOQKDI-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045512 528138899 /nfs/dbraw/zinc/13/88/99/528138899.db2.gz WQGMBPYPGABLMC-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000357570777 528832804 /nfs/dbraw/zinc/83/28/04/528832804.db2.gz QYWFDGMMZHMXFL-JTQLQIEISA-N 1 0 252.318 2.130 20 5 CEBDRO Cc1noc(C)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685328 574445075 /nfs/dbraw/zinc/44/50/75/574445075.db2.gz FIFCHJCXONZPIB-AWEZNQCLSA-N 1 0 291.307 2.023 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954328 575241816 /nfs/dbraw/zinc/24/18/16/575241816.db2.gz MYVKNARVLQAIDS-NXEZZACHSA-N 1 0 289.339 2.336 20 5 CEBDRO C[C@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310295083 625451669 /nfs/dbraw/zinc/45/16/69/625451669.db2.gz OPQUJWDOAWHNKD-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000932345763 622640932 /nfs/dbraw/zinc/64/09/32/622640932.db2.gz PRHBAIBOZCUTRD-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932368235 622678615 /nfs/dbraw/zinc/67/86/15/622678615.db2.gz FLWOGGSROBTAOD-LLVKDONJSA-N 1 0 282.340 2.377 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1c([N+](=O)[O-])cnn1C ZINC000891846609 624019111 /nfs/dbraw/zinc/01/91/11/624019111.db2.gz OEQINBBBVKLXNK-LBPRGKRZSA-N 1 0 295.387 2.395 20 5 CEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891853064 624028023 /nfs/dbraw/zinc/02/80/23/624028023.db2.gz AMUVXQSYFCJOJG-TXEJJXNPSA-N 1 0 295.387 2.108 20 5 CEBDRO C[C@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097441343 624219910 /nfs/dbraw/zinc/21/99/10/624219910.db2.gz OEYKBHUWSXKNSW-SECBINFHSA-N 1 0 272.732 2.356 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050372636 624650430 /nfs/dbraw/zinc/65/04/30/624650430.db2.gz BLNWYFLFZXTAPX-UONOGXRCSA-N 1 0 280.324 2.131 20 5 CEBDRO CC[NH2+]Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843238981 625085901 /nfs/dbraw/zinc/08/59/01/625085901.db2.gz BUVGJCRWCABWAL-UHFFFAOYSA-N 1 0 262.269 2.063 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000820596677 634466112 /nfs/dbraw/zinc/46/61/12/634466112.db2.gz UJIJUEKLAFPGED-PRHODGIISA-N 1 0 285.294 2.402 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000310941492 627322273 /nfs/dbraw/zinc/32/22/73/627322273.db2.gz OJPGWDQVKWWZEZ-WQAKAFBOSA-N 1 0 250.298 2.016 20 5 CEBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000312311355 628226889 /nfs/dbraw/zinc/22/68/89/628226889.db2.gz ZSLLZXWJHYWZSX-CYBMUJFWSA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925788043 628829069 /nfs/dbraw/zinc/82/90/69/628829069.db2.gz XRSDOPDYCMLKEO-NQBHXWOUSA-N 1 0 263.341 2.162 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821337336 634687958 /nfs/dbraw/zinc/68/79/58/634687958.db2.gz UGTCXWULQHZTKI-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503940 629166634 /nfs/dbraw/zinc/16/66/34/629166634.db2.gz KFJMBYLOEKBDEA-MWLCHTKSSA-N 1 0 264.329 2.072 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975026 629407382 /nfs/dbraw/zinc/40/73/82/629407382.db2.gz QQGBQGGSOBPHFD-KOLCDFICSA-N 1 0 283.759 2.417 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)c1 ZINC000795251286 629497679 /nfs/dbraw/zinc/49/76/79/629497679.db2.gz ISRKBJBRNFYLIR-UHFFFAOYSA-N 1 0 295.314 2.416 20 5 CEBDRO CCC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000895059269 629832894 /nfs/dbraw/zinc/83/28/94/629832894.db2.gz RRNPKVZMUFEFCA-JTQLQIEISA-N 1 0 289.339 2.049 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000895119322 629921821 /nfs/dbraw/zinc/92/18/21/629921821.db2.gz CCWHBGFCZQRMTM-GFCCVEGCSA-N 1 0 280.324 2.192 20 5 CEBDRO CC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895119854 629922480 /nfs/dbraw/zinc/92/24/80/629922480.db2.gz IEIWGTIZHGOHQC-XYLWRLHESA-N 1 0 292.335 2.397 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125050 629928828 /nfs/dbraw/zinc/92/88/28/629928828.db2.gz OFIPJWRHJZFRRQ-WPRPVWTQSA-N 1 0 298.364 2.293 20 5 CEBDRO CC(C)Oc1nc(N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736538 630326821 /nfs/dbraw/zinc/32/68/21/630326821.db2.gz KLNSZKIOUBXIJX-WDEREUQCSA-N 1 0 294.355 2.282 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000896912310 630796720 /nfs/dbraw/zinc/79/67/20/630796720.db2.gz RZSVLXHSEGIZRY-YGRLFVJLSA-N 1 0 279.315 2.122 20 5 CEBDRO C[NH+]1CCC2(CCN2c2sccc2[N+](=O)[O-])CC1 ZINC000897134179 630951692 /nfs/dbraw/zinc/95/16/92/630951692.db2.gz ZYYMBFWLDMJYBB-UHFFFAOYSA-N 1 0 267.354 2.331 20 5 CEBDRO CC[NH+]1CCC(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800847544 631148925 /nfs/dbraw/zinc/14/89/25/631148925.db2.gz HDBYXACDURAAMA-UHFFFAOYSA-N 1 0 278.356 2.321 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801550813 631288036 /nfs/dbraw/zinc/28/80/36/631288036.db2.gz JWYLMBUXUPBBNU-CQSZACIVSA-N 1 0 298.314 2.019 20 5 CEBDRO C[C@H](CCO)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461289 631531286 /nfs/dbraw/zinc/53/12/86/631531286.db2.gz ZIVLFBKLPSXRKQ-WDEREUQCSA-N 1 0 252.314 2.059 20 5 CEBDRO C[C@@H](C[NH2+]C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897466333 631533014 /nfs/dbraw/zinc/53/30/14/631533014.db2.gz RNQCUJPOVWQGNA-NSHDSACASA-N 1 0 264.325 2.467 20 5 CEBDRO CCCC[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804450261 631684206 /nfs/dbraw/zinc/68/42/06/631684206.db2.gz ISYMWNIXLDEBFJ-UHFFFAOYSA-N 1 0 266.345 2.321 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[N@H+](C)C1CC1 ZINC000804621056 631715042 /nfs/dbraw/zinc/71/50/42/631715042.db2.gz GEEYSILIAQWFJG-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO CC(C)([NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011813 631733556 /nfs/dbraw/zinc/73/35/56/631733556.db2.gz WUIMXFDXQFKUTE-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1=CC[N@H+](C)CC1 ZINC000808011774 631906527 /nfs/dbraw/zinc/90/65/27/631906527.db2.gz DJYRVBXBHYYGDV-UHFFFAOYSA-N 1 0 289.335 2.471 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC(CCO)C1 ZINC000898015020 632014515 /nfs/dbraw/zinc/01/45/15/632014515.db2.gz HRVAOBOLEGFEFO-QIMFLAQGSA-N 1 0 276.336 2.333 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812860973 632596117 /nfs/dbraw/zinc/59/61/17/632596117.db2.gz CBCYARBCIVJEEH-LSDHHAIUSA-N 1 0 294.351 2.128 20 5 CEBDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000814036943 632777075 /nfs/dbraw/zinc/77/70/75/632777075.db2.gz NSAKAJHXQXSGFS-GFCCVEGCSA-N 1 0 294.351 2.350 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000814173721 632799055 /nfs/dbraw/zinc/79/90/55/632799055.db2.gz ORHCUXLCZOXCPP-SMDDNHRTSA-N 1 0 295.770 2.384 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000899870703 633063526 /nfs/dbraw/zinc/06/35/26/633063526.db2.gz NYYRAFSKIGDYQA-CQSZACIVSA-N 1 0 297.786 2.343 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(C34CCC(CC3)[NH2+]4)n2)c1 ZINC000899994239 633158811 /nfs/dbraw/zinc/15/88/11/633158811.db2.gz WHAFDGPWYDNGFH-UHFFFAOYSA-N 1 0 286.291 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C3=CCC[NH2+]CC3)n2)cc1 ZINC000899994539 633164268 /nfs/dbraw/zinc/16/42/68/633164268.db2.gz GIBSDTKBMRJBDM-UHFFFAOYSA-N 1 0 286.291 2.412 20 5 CEBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818958801 634016459 /nfs/dbraw/zinc/01/64/59/634016459.db2.gz WBMYOERXZQBPRN-HNNXBMFYSA-N 1 0 290.319 2.362 20 5 CEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105551 634069381 /nfs/dbraw/zinc/06/93/81/634069381.db2.gz HBFOTQXUUWFIOT-SMDDNHRTSA-N 1 0 296.367 2.421 20 5 CEBDRO Cc1cnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819109243 634069827 /nfs/dbraw/zinc/06/98/27/634069827.db2.gz JCANCNGBCQYMRX-GFCCVEGCSA-N 1 0 293.348 2.183 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CCC2)c1 ZINC000819146502 634084044 /nfs/dbraw/zinc/08/40/44/634084044.db2.gz QELXCHVALFSZNK-CQSZACIVSA-N 1 0 264.325 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000819382461 634164380 /nfs/dbraw/zinc/16/43/80/634164380.db2.gz GELWYSYWDQZXCR-OPDFLTKYSA-N 1 0 262.309 2.016 20 5 CEBDRO CC(C)[NH+]1CCC(N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822351112 634901820 /nfs/dbraw/zinc/90/18/20/634901820.db2.gz UYQMRYRMTKSCLA-UHFFFAOYSA-N 1 0 299.415 2.153 20 5 CEBDRO CCOCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903074634 634967591 /nfs/dbraw/zinc/96/75/91/634967591.db2.gz VWCSFAQZZWEXOW-SNVBAGLBSA-N 1 0 268.313 2.291 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903100378 634969136 /nfs/dbraw/zinc/96/91/36/634969136.db2.gz RHMHKVPJGVKEFK-JQWIXIFHSA-N 1 0 282.340 2.415 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903100380 634969508 /nfs/dbraw/zinc/96/95/08/634969508.db2.gz RHMHKVPJGVKEFK-ZYHUDNBSSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903106499 634972384 /nfs/dbraw/zinc/97/23/84/634972384.db2.gz YMCZSEKWWUUGMU-SNVBAGLBSA-N 1 0 280.324 2.027 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903246378 635024865 /nfs/dbraw/zinc/02/48/65/635024865.db2.gz UEFPQSCLYFPGJP-NTZNESFSSA-N 1 0 264.325 2.323 20 5 CEBDRO CCC[NH+]1CCC(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822908204 635025994 /nfs/dbraw/zinc/02/59/94/635025994.db2.gz DFUZSGMLQLDSGP-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903253913 635030389 /nfs/dbraw/zinc/03/03/89/635030389.db2.gz OYOFFFQFZUBZOD-IDKOKCKLSA-N 1 0 295.314 2.039 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN1C ZINC000903321520 635055438 /nfs/dbraw/zinc/05/54/38/635055438.db2.gz GQNFTJWNKHKLSB-WCQYABFASA-N 1 0 263.341 2.258 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000903322120 635055980 /nfs/dbraw/zinc/05/59/80/635055980.db2.gz LMHJXMDJDFAURV-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000903393776 635090324 /nfs/dbraw/zinc/09/03/24/635090324.db2.gz STQYFPZVBHOWMX-NRUUGDAUSA-N 1 0 280.324 2.289 20 5 CEBDRO Cc1c(-c2noc([C@H](C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269917 635119163 /nfs/dbraw/zinc/11/91/63/635119163.db2.gz LQQYNCXNGHWIDB-VXNVDRBHSA-N 1 0 276.296 2.404 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903455477 635139415 /nfs/dbraw/zinc/13/94/15/635139415.db2.gz WJTMUJDTWWUEKP-OCCSQVGLSA-N 1 0 289.379 2.415 20 5 CEBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000841078087 635260742 /nfs/dbraw/zinc/26/07/42/635260742.db2.gz FSSMCQANHHUVSD-JGVFFNPUSA-N 1 0 257.721 2.074 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903822054 635289901 /nfs/dbraw/zinc/28/99/01/635289901.db2.gz VRJYYJXCALFGBO-LBPRGKRZSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1cc(N2CC[C@@H](CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000904217436 635515701 /nfs/dbraw/zinc/51/57/01/635515701.db2.gz GCXALJDXGYRWDG-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1Cl ZINC000825239729 635597213 /nfs/dbraw/zinc/59/72/13/635597213.db2.gz DNLLDGYBNIKFGP-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000905086169 635800539 /nfs/dbraw/zinc/80/05/39/635800539.db2.gz AQTUPJPKODQBHA-NSHDSACASA-N 1 0 285.141 2.303 20 5 CEBDRO CC1CCC(Oc2cc(CNCC[N+](=O)[O-])ccn2)CC1 ZINC000905118233 635824601 /nfs/dbraw/zinc/82/46/01/635824601.db2.gz SMZGBVPCQDZLEJ-UHFFFAOYSA-N 1 0 293.367 2.405 20 5 CEBDRO Cc1ccc(SC[C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905217032 636165233 /nfs/dbraw/zinc/16/52/33/636165233.db2.gz CCPNRTBSIDYJRT-LLVKDONJSA-N 1 0 254.355 2.342 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000905248065 636172273 /nfs/dbraw/zinc/17/22/73/636172273.db2.gz QUVGWTFHJOMXFB-UHFFFAOYSA-N 1 0 265.288 2.106 20 5 CEBDRO CCc1nc2cc(C[NH2+]CC[N+](=O)[O-])ccc2n1C1CC1 ZINC000905255901 636177873 /nfs/dbraw/zinc/17/78/73/636177873.db2.gz VKYQPBSRYJSERR-UHFFFAOYSA-N 1 0 288.351 2.300 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905422365 636269360 /nfs/dbraw/zinc/26/93/60/636269360.db2.gz JFGBQCKPWSTGIH-NQHOJNORSA-N 1 0 292.335 2.056 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905423670 636274864 /nfs/dbraw/zinc/27/48/64/636274864.db2.gz QKBDEMFQHKWZIN-RDFMZFSFSA-N 1 0 262.309 2.350 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000905666789 636374438 /nfs/dbraw/zinc/37/44/38/636374438.db2.gz LYCQPAWMKULSTE-ZGKBOVNRSA-N 1 0 276.336 2.406 20 5 CEBDRO Cc1ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000828463304 636603352 /nfs/dbraw/zinc/60/33/52/636603352.db2.gz AEENTQIBBFFERX-UHFFFAOYSA-N 1 0 293.367 2.298 20 5 CEBDRO Cc1c(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000876550350 650321282 /nfs/dbraw/zinc/32/12/82/650321282.db2.gz ZZAKXUANVBKBKB-ABZNLYFFSA-N 1 0 289.335 2.398 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832265066 637529312 /nfs/dbraw/zinc/52/93/12/637529312.db2.gz LAVHEFYQLNNASR-GFCCVEGCSA-N 1 0 287.404 2.059 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000876587581 650347066 /nfs/dbraw/zinc/34/70/66/650347066.db2.gz KHNYNSDPLXWIEB-TVYUQYBPSA-N 1 0 291.351 2.145 20 5 CEBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876786405 650430983 /nfs/dbraw/zinc/43/09/83/650430983.db2.gz GZQFJSIGNCBWNL-SNVBAGLBSA-N 1 0 287.319 2.073 20 5 CEBDRO C[C@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000912652217 638756151 /nfs/dbraw/zinc/75/61/51/638756151.db2.gz CQIMNAQEURLQAY-LLVKDONJSA-N 1 0 291.351 2.214 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876860446 650462236 /nfs/dbraw/zinc/46/22/36/650462236.db2.gz BBGLMKGTJCWRPP-NXEZZACHSA-N 1 0 287.319 2.214 20 5 CEBDRO CC[C@H]([NH2+]C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626036 639349020 /nfs/dbraw/zinc/34/90/20/639349020.db2.gz KBSKXERQEKMSMM-JTQLQIEISA-N 1 0 262.269 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000223900814 639437621 /nfs/dbraw/zinc/43/76/21/639437621.db2.gz UQJVSIMAUGFPEK-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225434100 639497667 /nfs/dbraw/zinc/49/76/67/639497667.db2.gz RMTMQWVHLGVEPZ-QMMMGPOBSA-N 1 0 268.298 2.362 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187812 639563467 /nfs/dbraw/zinc/56/34/67/639563467.db2.gz JZCPNDDPRDGVMO-NTCNTBNZSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840893094 639575714 /nfs/dbraw/zinc/57/57/14/639575714.db2.gz DFZKDZFGZOHTDG-LOWVWBTDSA-N 1 0 293.367 2.379 20 5 CEBDRO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000841012103 639617437 /nfs/dbraw/zinc/61/74/37/639617437.db2.gz ZLVBGLFKNFKCSA-SECBINFHSA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000228560086 639644520 /nfs/dbraw/zinc/64/45/20/639644520.db2.gz PCPYWDZPNMNLQK-MRVPVSSYSA-N 1 0 292.270 2.251 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233196 639713980 /nfs/dbraw/zinc/71/39/80/639713980.db2.gz OEHVZSSKOUQAGG-BQBZGAKWSA-N 1 0 286.719 2.105 20 5 CEBDRO CC(C)CCOCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876987091 650520412 /nfs/dbraw/zinc/52/04/12/650520412.db2.gz RNKRAIJHEWOWRO-UHFFFAOYSA-N 1 0 296.371 2.147 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208883 639746482 /nfs/dbraw/zinc/74/64/82/639746482.db2.gz AVJSVSMVIXRKBY-GXFFZTMASA-N 1 0 280.324 2.397 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063166628 639836369 /nfs/dbraw/zinc/83/63/69/639836369.db2.gz LXDGYEQHYLNHDE-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000231884712 639881727 /nfs/dbraw/zinc/88/17/27/639881727.db2.gz DRMPATRZIHFSCI-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO COC(OC)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884294 639882172 /nfs/dbraw/zinc/88/21/72/639882172.db2.gz UJGGUIPRNWNDMX-SNVBAGLBSA-N 1 0 268.313 2.000 20 5 CEBDRO CCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000877034035 650540272 /nfs/dbraw/zinc/54/02/72/650540272.db2.gz WGLDRSDYAQQRMF-UHFFFAOYSA-N 1 0 274.324 2.213 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478077 640076963 /nfs/dbraw/zinc/07/69/63/640076963.db2.gz LYIMVHJOFPHNIT-WFASDCNBSA-N 1 0 275.352 2.484 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478362 640078022 /nfs/dbraw/zinc/07/80/22/640078022.db2.gz SEOFOVJWZWUDER-AWEZNQCLSA-N 1 0 279.315 2.062 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000843147628 640306347 /nfs/dbraw/zinc/30/63/47/640306347.db2.gz CTJDHHZETUFRAC-LBPRGKRZSA-N 1 0 292.295 2.213 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843191298 640343491 /nfs/dbraw/zinc/34/34/91/640343491.db2.gz CSTVNLAIUVVAFY-JTQLQIEISA-N 1 0 290.323 2.200 20 5 CEBDRO O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1 ZINC000877087724 650565899 /nfs/dbraw/zinc/56/58/99/650565899.db2.gz QMDXIHXFROYIJK-SNVBAGLBSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1c(-c2noc([C@@]3(F)CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238470 640364450 /nfs/dbraw/zinc/36/44/50/640364450.db2.gz RSPCCRWYPZVDEI-CYBMUJFWSA-N 1 0 292.270 2.111 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(F)c1 ZINC000914435322 640406771 /nfs/dbraw/zinc/40/67/71/640406771.db2.gz BILDKGQHAYXOIG-GXTWGEPZSA-N 1 0 280.299 2.249 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843381833 640412678 /nfs/dbraw/zinc/41/26/78/640412678.db2.gz IUPPUEGAMGFMOY-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877124365 650583015 /nfs/dbraw/zinc/58/30/15/650583015.db2.gz VYQIPGBGPLVOSJ-GCVQQVDUSA-N 1 0 264.329 2.273 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153586410 640552242 /nfs/dbraw/zinc/55/22/42/640552242.db2.gz XFISNFBKFOFRKO-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3CCCCO3)C2)c1 ZINC000877186689 650616265 /nfs/dbraw/zinc/61/62/65/650616265.db2.gz TUWHQWWIMNOJRR-YIZWMMSDSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000845672898 641044234 /nfs/dbraw/zinc/04/42/34/641044234.db2.gz ROBWPYUQHNCSSR-NSHDSACASA-N 1 0 278.308 2.236 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300298 641739173 /nfs/dbraw/zinc/73/91/73/641739173.db2.gz WGGBKFHGKJMMOB-TVQRCGJNSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847827800 641796553 /nfs/dbraw/zinc/79/65/53/641796553.db2.gz XVNVDBIPRXLMMQ-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO Cc1c(CNC(=[NH2+])N2CCCCC2)cccc1[N+](=O)[O-] ZINC000849022040 642235745 /nfs/dbraw/zinc/23/57/45/642235745.db2.gz UZJANHYFKDUQMH-UHFFFAOYSA-N 1 0 276.340 2.413 20 5 CEBDRO CO[C@](C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877521710 650764687 /nfs/dbraw/zinc/76/46/87/650764687.db2.gz APHMVOBTGNRTGN-OAHLLOKOSA-N 1 0 293.367 2.175 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CC(F)(F)C3)C2)c1 ZINC000877543320 650778157 /nfs/dbraw/zinc/77/81/57/650778157.db2.gz CTFAHJSDIIQGNZ-UHFFFAOYSA-N 1 0 286.282 2.130 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000850444993 642716026 /nfs/dbraw/zinc/71/60/26/642716026.db2.gz MUQOMPOLWHMYSS-QMTHXVAHSA-N 1 0 294.351 2.415 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850550049 642750509 /nfs/dbraw/zinc/75/05/09/642750509.db2.gz KKQGIFMHQOFDOK-LLVKDONJSA-N 1 0 295.339 2.252 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccns1 ZINC000877659687 650837812 /nfs/dbraw/zinc/83/78/12/650837812.db2.gz ZMFVAZVBPSOLEE-IDKOKCKLSA-N 1 0 293.352 2.302 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000852555399 643469045 /nfs/dbraw/zinc/46/90/45/643469045.db2.gz TWUYRHIJKPTQCH-KBPBESRZSA-N 1 0 264.325 2.406 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923004574 643509356 /nfs/dbraw/zinc/50/93/56/643509356.db2.gz VXEIHDQYXHPSFD-YRTGFYSSSA-N 1 0 276.336 2.359 20 5 CEBDRO C[N@@H+](CC1=CCSC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852747738 643531867 /nfs/dbraw/zinc/53/18/67/643531867.db2.gz VPQRIJOUMDAHBO-CQSZACIVSA-N 1 0 294.376 2.233 20 5 CEBDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853239208 643719229 /nfs/dbraw/zinc/71/92/29/643719229.db2.gz CECCSILEFOQRCT-SNVBAGLBSA-N 1 0 289.339 2.244 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519566 643748460 /nfs/dbraw/zinc/74/84/60/643748460.db2.gz UCKAWIVTEWAFFN-RWMBFGLXSA-N 1 0 275.352 2.197 20 5 CEBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CCC1 ZINC000853498340 643790568 /nfs/dbraw/zinc/79/05/68/643790568.db2.gz NRDLGOPJTSSVEM-UHFFFAOYSA-N 1 0 287.323 2.295 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877744823 650891716 /nfs/dbraw/zinc/89/17/16/650891716.db2.gz YFBNZKSLPWQCEI-NEPJUHHUSA-N 1 0 281.381 2.182 20 5 CEBDRO C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199796 644486946 /nfs/dbraw/zinc/48/69/46/644486946.db2.gz PDCVKTPRBFYQGF-SMDDNHRTSA-N 1 0 296.392 2.456 20 5 CEBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000856769401 644715802 /nfs/dbraw/zinc/71/58/02/644715802.db2.gz NUIXLEQSBYFFBZ-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000877972961 650963320 /nfs/dbraw/zinc/96/33/20/650963320.db2.gz QMUFYUHPGGRENF-UHFFFAOYSA-N 1 0 288.307 2.487 20 5 CEBDRO Cc1nc(NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000760470670 645160893 /nfs/dbraw/zinc/16/08/93/645160893.db2.gz QTSGOYQZYHMTBM-JTQLQIEISA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000765772000 645807454 /nfs/dbraw/zinc/80/74/54/645807454.db2.gz UIYDDUJZYDVOCI-VXGBXAGGSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000769600762 646292297 /nfs/dbraw/zinc/29/22/97/646292297.db2.gz JDANITLOHXJKMC-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000862464599 646469348 /nfs/dbraw/zinc/46/93/48/646469348.db2.gz CMKBMYKDWLSATA-ZDUSSCGKSA-N 1 0 290.319 2.255 20 5 CEBDRO C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000863484599 646740583 /nfs/dbraw/zinc/74/05/83/646740583.db2.gz JWJGPRJJECUFDL-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000863561040 646757016 /nfs/dbraw/zinc/75/70/16/646757016.db2.gz BTNONJNBCCVWJU-DOMZBBRYSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863576757 646761342 /nfs/dbraw/zinc/76/13/42/646761342.db2.gz UMUMCULZFCFYIA-DZGCQCFKSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000864359008 646977513 /nfs/dbraw/zinc/97/75/13/646977513.db2.gz JUWVJZQODFTYFH-IUCAKERBSA-N 1 0 269.251 2.083 20 5 CEBDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000864460696 647015390 /nfs/dbraw/zinc/01/53/90/647015390.db2.gz ZDFMDVVPUDDTBB-WRWORJQWSA-N 1 0 282.731 2.271 20 5 CEBDRO C[C@H]1C[C@H]1NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000864462643 647017105 /nfs/dbraw/zinc/01/71/05/647017105.db2.gz OIKXCQWONTVMNH-GZMMTYOYSA-N 1 0 296.758 2.313 20 5 CEBDRO CC[C@@]1(O)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000778397039 647227406 /nfs/dbraw/zinc/22/74/06/647227406.db2.gz OSLDZCZJULOTJR-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO Cc1ccc(C[NH2+]C2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000779432142 647323871 /nfs/dbraw/zinc/32/38/71/647323871.db2.gz LLLFPAAIYLWFKT-UHFFFAOYSA-N 1 0 291.351 2.181 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(F)c1 ZINC000865697547 647429012 /nfs/dbraw/zinc/42/90/12/647429012.db2.gz ZETYQXOTPJBKIC-BKNSQDEOSA-N 1 0 292.310 2.247 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787537 647464555 /nfs/dbraw/zinc/46/45/55/647464555.db2.gz PREDWCVSGPVMPZ-CYZMBNFOSA-N 1 0 292.335 2.190 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866210199 647673949 /nfs/dbraw/zinc/67/39/49/647673949.db2.gz ZHWCBMTVTCQFSZ-CMPLNLGQSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc[nH]n1 ZINC000866264331 647704133 /nfs/dbraw/zinc/70/41/33/647704133.db2.gz YHPKLQJWZSKUHQ-VIFPVBQESA-N 1 0 278.287 2.178 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000866286993 647717068 /nfs/dbraw/zinc/71/70/68/647717068.db2.gz GUHPCRTUDVQOAC-COPLHBTASA-N 1 0 294.326 2.192 20 5 CEBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783604937 647736546 /nfs/dbraw/zinc/73/65/46/647736546.db2.gz QXUPRFAZOADROB-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000866372205 647762458 /nfs/dbraw/zinc/76/24/58/647762458.db2.gz PPXKSGZATPQSQB-LLVKDONJSA-N 1 0 296.342 2.417 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717523 647880131 /nfs/dbraw/zinc/88/01/31/647880131.db2.gz HIGYTGXTARTYJR-CABCVRRESA-N 1 0 289.379 2.477 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866725367 647884486 /nfs/dbraw/zinc/88/44/86/647884486.db2.gz SFCJRYLKZQBHLN-UONOGXRCSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868011145 648020530 /nfs/dbraw/zinc/02/05/30/648020530.db2.gz ZMHCTFMSQYFCHA-QMMMGPOBSA-N 1 0 297.380 2.083 20 5 CEBDRO C[C@H]([NH2+]CCCOC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788818724 648226715 /nfs/dbraw/zinc/22/67/15/648226715.db2.gz QVHGIMJYQJMXNZ-QMMMGPOBSA-N 1 0 289.282 2.457 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000791051602 648476129 /nfs/dbraw/zinc/47/61/29/648476129.db2.gz GJGCFELTKYTTAD-LBPRGKRZSA-N 1 0 266.366 2.377 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000869897371 648642718 /nfs/dbraw/zinc/64/27/18/648642718.db2.gz RPQOZZYILQCUTN-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000870961899 648963264 /nfs/dbraw/zinc/96/32/64/648963264.db2.gz INFCGQVHCRICDL-JOCQHMNTSA-N 1 0 291.351 2.037 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)O ZINC000872015942 649241048 /nfs/dbraw/zinc/24/10/48/649241048.db2.gz ANXHEUGWIQHLDA-DTWKUNHWSA-N 1 0 270.354 2.348 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000872043679 649252745 /nfs/dbraw/zinc/25/27/45/649252745.db2.gz KJMULVUASBUPQK-DTWKUNHWSA-N 1 0 297.380 2.231 20 5 CEBDRO C[C@@H]([NH2+]CCc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062034 649258601 /nfs/dbraw/zinc/25/86/01/649258601.db2.gz BPFWPVDDMIQENZ-SNVBAGLBSA-N 1 0 292.314 2.361 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077635 649265491 /nfs/dbraw/zinc/26/54/91/649265491.db2.gz KNSJSRJKSKVBLR-LKFCYVNXSA-N 1 0 295.314 2.053 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086712 649269192 /nfs/dbraw/zinc/26/91/92/649269192.db2.gz YSRJKTAJVGWTRT-RKDXNWHRSA-N 1 0 256.277 2.155 20 5 CEBDRO Cc1cc(C(=O)N2CC[NH2+]CCC2(C)C)cc([N+](=O)[O-])c1 ZINC000872294527 649348574 /nfs/dbraw/zinc/34/85/74/649348574.db2.gz QFBYHAXJZLBIDB-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccccc1[N+](=O)[O-] ZINC000872779277 649486025 /nfs/dbraw/zinc/48/60/25/649486025.db2.gz DVUMIYXQFZGUKR-NEPJUHHUSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CCCO ZINC000873075260 649552198 /nfs/dbraw/zinc/55/21/98/649552198.db2.gz VVNUOGOYHFZGEA-LLVKDONJSA-N 1 0 266.341 2.462 20 5 CEBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078867 649553737 /nfs/dbraw/zinc/55/37/37/649553737.db2.gz SEZOTHMBOUXESA-ZDUSSCGKSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1c(C[NH2+]CCCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000873098708 649558181 /nfs/dbraw/zinc/55/81/81/649558181.db2.gz USGZNCNKVQLAFM-UHFFFAOYSA-N 1 0 293.367 2.155 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130818 649565342 /nfs/dbraw/zinc/56/53/42/649565342.db2.gz HDJXQRPZWOSFPW-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253471 649611079 /nfs/dbraw/zinc/61/10/79/649611079.db2.gz YFPNFQDVQFRQLL-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253470 649611231 /nfs/dbraw/zinc/61/12/31/649611231.db2.gz YFPNFQDVQFRQLL-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879618114 651330932 /nfs/dbraw/zinc/33/09/32/651330932.db2.gz RPKZEXNEEDYBTG-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880143050 651391215 /nfs/dbraw/zinc/39/12/15/651391215.db2.gz XPIVPANLGSKLGQ-KGLIPLIRSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880237047 651406534 /nfs/dbraw/zinc/40/65/34/651406534.db2.gz PAOFQSXOXHIQJD-FZMZJTMJSA-N 1 0 282.315 2.310 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880294352 651417228 /nfs/dbraw/zinc/41/72/28/651417228.db2.gz UFUMRJLQPZVYDL-NSHDSACASA-N 1 0 268.288 2.265 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880294491 651417454 /nfs/dbraw/zinc/41/74/54/651417454.db2.gz BULSQRZQLRETGO-NSHDSACASA-N 1 0 268.288 2.265 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298814 651419448 /nfs/dbraw/zinc/41/94/48/651419448.db2.gz KEDSQAPXOJQSEJ-SNVBAGLBSA-N 1 0 268.288 2.395 20 5 CEBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880471248 651446617 /nfs/dbraw/zinc/44/66/17/651446617.db2.gz YDRNHMKVFHPBBL-GHMZBOCLSA-N 1 0 283.328 2.186 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882576416 652143026 /nfs/dbraw/zinc/14/30/26/652143026.db2.gz WZWPBFBUMUZISU-VIFPVBQESA-N 1 0 282.319 2.414 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883090151 652361118 /nfs/dbraw/zinc/36/11/18/652361118.db2.gz CYQFZCOKXDUUKE-QAVQXKDTSA-N 1 0 250.298 2.012 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355926 652440138 /nfs/dbraw/zinc/44/01/38/652440138.db2.gz AHLAPMYZKABKFT-WDEREUQCSA-N 1 0 281.331 2.479 20 5 CEBDRO [NH3+]CCN(Cc1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000883445377 652472079 /nfs/dbraw/zinc/47/20/79/652472079.db2.gz XGSWDOYWEMWVDQ-UHFFFAOYSA-N 1 0 295.236 2.057 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000884274692 652776678 /nfs/dbraw/zinc/77/66/78/652776678.db2.gz SICVMUTZTHPLKE-CMPLNLGQSA-N 1 0 291.351 2.082 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CCC2)cc1 ZINC000134209061 652794107 /nfs/dbraw/zinc/79/41/07/652794107.db2.gz LOOAFFRJDSBPPP-CQSZACIVSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364982 652817160 /nfs/dbraw/zinc/81/71/60/652817160.db2.gz BJHUCUNOEDOJGB-VXGBXAGGSA-N 1 0 291.351 2.067 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000884372255 652821071 /nfs/dbraw/zinc/82/10/71/652821071.db2.gz JLMKZJLMWIMSQC-NXEZZACHSA-N 1 0 279.340 2.067 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC([NH+]3CCCC3)C2)c2ccccc21 ZINC000884554495 652912333 /nfs/dbraw/zinc/91/23/33/652912333.db2.gz VOGMYFCRCORTFU-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164632259 719184748 /nfs/dbraw/zinc/18/47/48/719184748.db2.gz DRNXAZZYDHGPGT-VHSXEESVSA-N 1 0 298.774 2.480 20 5 CEBDRO COCCC[NH+]1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227484157 805944050 /nfs/dbraw/zinc/94/40/50/805944050.db2.gz JXRDJMVJRUEZNZ-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC/C(C)=C/C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126752615 806522079 /nfs/dbraw/zinc/52/20/79/806522079.db2.gz RIWRPYDIEYGORZ-FMIVXFBMSA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000697905710 806754959 /nfs/dbraw/zinc/75/49/59/806754959.db2.gz HJMYQHMAHWDPMU-VIFPVBQESA-N 1 0 282.300 2.255 20 5 CEBDRO [NH3+]CCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000698078810 806972210 /nfs/dbraw/zinc/97/22/10/806972210.db2.gz PEZLSURQGCRHHM-UHFFFAOYSA-N 1 0 280.328 2.235 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000723039901 802789381 /nfs/dbraw/zinc/78/93/81/802789381.db2.gz YFPSTXJXJGPLQS-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123316 803047418 /nfs/dbraw/zinc/04/74/18/803047418.db2.gz WONZJGQFKKNDCO-QWHCGFSZSA-N 1 0 268.288 2.343 20 5 CEBDRO [NH3+]Cc1cccn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001167582043 803156936 /nfs/dbraw/zinc/15/69/36/803156936.db2.gz RMDDURFVQLVUCK-UHFFFAOYSA-N 1 0 293.714 2.165 20 5 CEBDRO [NH3+]Cc1cccn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001167581989 803156970 /nfs/dbraw/zinc/15/69/70/803156970.db2.gz PSODROVHOCIBQI-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncccc1[N+](=O)[O-] ZINC001167624431 803211940 /nfs/dbraw/zinc/21/19/40/803211940.db2.gz HTFDODVVWRIOIJ-UHFFFAOYSA-N 1 0 278.356 2.475 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525088 814763185 /nfs/dbraw/zinc/76/31/85/814763185.db2.gz BHEAPCZWPPZPKK-VIFPVBQESA-N 1 0 270.720 2.149 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[NH2+]C3)sc2c1 ZINC001218284622 803576730 /nfs/dbraw/zinc/57/67/30/803576730.db2.gz UAZWTZIYEIDXGE-VIFPVBQESA-N 1 0 279.321 2.335 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959537 814954344 /nfs/dbraw/zinc/95/43/44/814954344.db2.gz TXFXUMAHNOHRLH-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000715593186 814975833 /nfs/dbraw/zinc/97/58/33/814975833.db2.gz FZFDMWBLHBHCKY-CQSZACIVSA-N 1 0 292.335 2.288 20 5 CEBDRO CSC[C@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001119028858 815064328 /nfs/dbraw/zinc/06/43/28/815064328.db2.gz QZZOQXCSZLKUJR-LBPRGKRZSA-N 1 0 298.408 2.415 20 5 CEBDRO CCCC[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048347038 805320664 /nfs/dbraw/zinc/32/06/64/805320664.db2.gz XLIVXMXTXSYREO-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001119326593 815091693 /nfs/dbraw/zinc/09/16/93/815091693.db2.gz XNEVLKFLWKIBEO-GMXABZIVSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567952 807247305 /nfs/dbraw/zinc/24/73/05/807247305.db2.gz DKEGLAPJSYVXRA-UFBFGSQYSA-N 1 0 274.267 2.262 20 5 CEBDRO CC1(C)C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)O1 ZINC001168457067 807600407 /nfs/dbraw/zinc/60/04/07/807600407.db2.gz TZJNEFZBIQXDNS-NSHDSACASA-N 1 0 277.324 2.177 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Oc1nc(OC)ccc1[N+](=O)[O-] ZINC001234879771 807728050 /nfs/dbraw/zinc/72/80/50/807728050.db2.gz SVIRSYFHNMQHEF-JTQLQIEISA-N 1 0 283.328 2.108 20 5 CEBDRO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000700615014 809333644 /nfs/dbraw/zinc/33/36/44/809333644.db2.gz SPMKZQBIAAPFEQ-WDEREUQCSA-N 1 0 297.742 2.104 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627604 809333919 /nfs/dbraw/zinc/33/39/19/809333919.db2.gz IPCGQXIOQBFRJW-WPRPVWTQSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC000701043224 809383518 /nfs/dbraw/zinc/38/35/18/809383518.db2.gz PRQSXUNHMVQHMZ-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702034560 809488234 /nfs/dbraw/zinc/48/82/34/809488234.db2.gz CTGMNOIXSQBPAG-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702051825 809490396 /nfs/dbraw/zinc/49/03/96/809490396.db2.gz WJQKSUKNMIEHEA-NSHDSACASA-N 1 0 297.742 2.119 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702063121 809491855 /nfs/dbraw/zinc/49/18/55/809491855.db2.gz KHUKEJXINMQFKR-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO [NH3+]Cc1nccnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120913495 815295386 /nfs/dbraw/zinc/29/53/86/815295386.db2.gz QIOJRPOEWOFZTI-UHFFFAOYSA-N 1 0 299.334 2.013 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000706538820 809835058 /nfs/dbraw/zinc/83/50/58/809835058.db2.gz JNBPEOBZFFQVAZ-HAQNSBGRSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154974360 810864692 /nfs/dbraw/zinc/86/46/92/810864692.db2.gz DGBLLYGEPCIBQN-JGVFFNPUSA-N 1 0 285.735 2.028 20 5 CEBDRO Cc1cc(C)c(-n2cc(CC[NH3+])cn2)c(C)c1[N+](=O)[O-] ZINC001168947292 811300790 /nfs/dbraw/zinc/30/07/90/811300790.db2.gz VOGNKVMAZFSODU-UHFFFAOYSA-N 1 0 274.324 2.207 20 5 CEBDRO COc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978269 811306184 /nfs/dbraw/zinc/30/61/84/811306184.db2.gz QNZICKWXRCCLDU-KBPBESRZSA-N 1 0 278.352 2.273 20 5 CEBDRO Cc1cccc(OCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978205 811306485 /nfs/dbraw/zinc/30/64/85/811306485.db2.gz PTWHQIUEHIOIIS-KBPBESRZSA-N 1 0 278.352 2.409 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168978287 811307097 /nfs/dbraw/zinc/30/70/97/811307097.db2.gz QSLAFBWLBXMCFT-OCCSQVGLSA-N 1 0 291.351 2.050 20 5 CEBDRO CC(C)(C)OC(=O)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978261 811307404 /nfs/dbraw/zinc/30/74/04/811307404.db2.gz QJLKNZYNPDSVSG-NEPJUHHUSA-N 1 0 286.372 2.143 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982842 811310159 /nfs/dbraw/zinc/31/01/59/811310159.db2.gz JCWINVJROXVWBL-JTNHKYCSSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001168956971 811312969 /nfs/dbraw/zinc/31/29/69/811312969.db2.gz DFACBCHKKCXYAE-HTQZYQBOSA-N 1 0 275.761 2.332 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001168959425 811313678 /nfs/dbraw/zinc/31/36/78/811313678.db2.gz VVVDUIIPRVJYQT-XBFCOCLRSA-N 1 0 276.336 2.025 20 5 CEBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964757 811317540 /nfs/dbraw/zinc/31/75/40/811317540.db2.gz VXOQNVFQRHTPLA-GYSYKLTISA-N 1 0 289.335 2.023 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001168969255 811319652 /nfs/dbraw/zinc/31/96/52/811319652.db2.gz CONKUOFLAJRVBO-GVXVVHGQSA-N 1 0 264.325 2.488 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3O2)C1 ZINC001169003124 811330580 /nfs/dbraw/zinc/33/05/80/811330580.db2.gz NROLXWOMEADMKS-VHDGCEQUSA-N 1 0 290.363 2.415 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008235 811332040 /nfs/dbraw/zinc/33/20/40/811332040.db2.gz SHHGMUSMBMJPSW-BARDWOONSA-N 1 0 283.416 2.140 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010962 811334698 /nfs/dbraw/zinc/33/46/98/811334698.db2.gz GRCIHNUUNVHWQO-VWYCJHECSA-N 1 0 280.290 2.359 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)C1 ZINC001169013450 811335099 /nfs/dbraw/zinc/33/50/99/811335099.db2.gz VIAQTVSHTJICKD-HZSPNIEDSA-N 1 0 268.357 2.077 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001169011698 811335156 /nfs/dbraw/zinc/33/51/56/811335156.db2.gz MEYSXUMUESTBHT-WYUUTHIRSA-N 1 0 274.311 2.409 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3ncoc3c2)C1 ZINC001168989279 811337979 /nfs/dbraw/zinc/33/79/79/811337979.db2.gz VOLUESHWOQEKCZ-RYUDHWBXSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cnccn2)C1 ZINC001169033608 811345313 /nfs/dbraw/zinc/34/53/13/811345313.db2.gz CIHGHDZNURVEIH-MBNYWOFBSA-N 1 0 276.340 2.059 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001169023917 811354044 /nfs/dbraw/zinc/35/40/44/811354044.db2.gz VJTMQTOGFGOBFQ-RISCZKNCSA-N 1 0 276.336 2.196 20 5 CEBDRO Cc1ccnn1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046701 811355000 /nfs/dbraw/zinc/35/50/00/811355000.db2.gz MBBQCKHBPFOASA-UKRRQHHQSA-N 1 0 292.383 2.274 20 5 CEBDRO COC(=O)CC[N@H+](C1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026333 811355440 /nfs/dbraw/zinc/35/54/40/811355440.db2.gz KWVLLVLISBOIPQ-OCCSQVGLSA-N 1 0 298.383 2.240 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc([C@H](C)[NH3+])n2)c1F ZINC001169235505 811440886 /nfs/dbraw/zinc/44/08/86/811440886.db2.gz WRCNQPQLMOASGJ-QMMMGPOBSA-N 1 0 264.260 2.248 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001169234230 811449835 /nfs/dbraw/zinc/44/98/35/811449835.db2.gz VQCBWXQANKICDE-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CCCCCO)c([N+](=O)[O-])c1 ZINC001170298669 812377318 /nfs/dbraw/zinc/37/73/18/812377318.db2.gz NMNHODYYAQKSNB-LBPRGKRZSA-N 1 0 296.367 2.287 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001170290386 812383848 /nfs/dbraw/zinc/38/38/48/812383848.db2.gz BBGYVYDHOCMDPA-FZMZJTMJSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318659 812385610 /nfs/dbraw/zinc/38/56/10/812385610.db2.gz QZVPXKAKZSGHRL-NWDGAFQWSA-N 1 0 295.383 2.061 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC001170327412 812387808 /nfs/dbraw/zinc/38/78/08/812387808.db2.gz QQQDPRYISOWRMQ-IAQYHMDHSA-N 1 0 294.351 2.303 20 5 CEBDRO CC(C)(C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123616981 815537092 /nfs/dbraw/zinc/53/70/92/815537092.db2.gz BXEHMWGLAWVJPK-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CC(C)N(c1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158023155 812594268 /nfs/dbraw/zinc/59/42/68/812594268.db2.gz UFFFTBQQBAPRAH-SECBINFHSA-N 1 0 284.747 2.220 20 5 CEBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC001158021463 812594407 /nfs/dbraw/zinc/59/44/07/812594407.db2.gz JWFCHLFUOBTNKT-SECBINFHSA-N 1 0 284.747 2.220 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899719 815539564 /nfs/dbraw/zinc/53/95/64/815539564.db2.gz OYIZEZMARUBZFF-DZGCQCFKSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](O)C1)CC2 ZINC001172903375 815540879 /nfs/dbraw/zinc/54/08/79/815540879.db2.gz GWJSVBFQDCEZGC-ZBFHGGJFSA-N 1 0 290.363 2.299 20 5 CEBDRO CC(C)(CO)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895793 815542733 /nfs/dbraw/zinc/54/27/33/815542733.db2.gz IZSBJLWRKPVQQG-AWEZNQCLSA-N 1 0 292.379 2.450 20 5 CEBDRO C[C@@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132971280 813068659 /nfs/dbraw/zinc/06/86/59/813068659.db2.gz QVNCHWRCHDOJHF-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc2cccnc2c2ncccc12 ZINC001170865090 813561430 /nfs/dbraw/zinc/56/14/30/813561430.db2.gz YMDZHSQWHLRUKZ-INIZCTEOSA-N 1 0 282.347 2.252 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000218578404 813585821 /nfs/dbraw/zinc/58/58/21/813585821.db2.gz KTCWCCOQCHMVNW-NSHDSACASA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC2CCC2)cc1 ZINC000690971489 814588947 /nfs/dbraw/zinc/58/89/47/814588947.db2.gz VDWATWYESQCMKZ-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000697863618 814653053 /nfs/dbraw/zinc/65/30/53/814653053.db2.gz GHLBEEIZWHEDSM-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712613328 814757496 /nfs/dbraw/zinc/75/74/96/814757496.db2.gz GVNLKDGZUUKVAT-VIFPVBQESA-N 1 0 253.277 2.240 20 5 CEBDRO Cc1ccc(CN(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000714068617 814886493 /nfs/dbraw/zinc/88/64/93/814886493.db2.gz VDEDIVBBIBDOHS-AWEZNQCLSA-N 1 0 263.341 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001116899382 814891024 /nfs/dbraw/zinc/89/10/24/814891024.db2.gz NVULJQZNTXMZMM-HNNXBMFYSA-N 1 0 294.351 2.198 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCF)c1F ZINC001173175786 815616607 /nfs/dbraw/zinc/61/66/07/815616607.db2.gz CYYJLNUYGUKUBS-MRVPVSSYSA-N 1 0 274.267 2.233 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCCC1 ZINC001173218956 815624617 /nfs/dbraw/zinc/62/46/17/815624617.db2.gz UNZOISQIRXMUJP-GFCCVEGCSA-N 1 0 278.352 2.421 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001173219217 815624729 /nfs/dbraw/zinc/62/47/29/815624729.db2.gz ZCRXJOHHOXZQJY-VHRBIJSZSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@](C)(O)C1 ZINC001173219215 815625054 /nfs/dbraw/zinc/62/50/54/815625054.db2.gz ZCRXJOHHOXZQJY-MPKXVKKWSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001173223091 815627860 /nfs/dbraw/zinc/62/78/60/815627860.db2.gz XMYZCPCFFOXCEM-BNOWGMLFSA-N 1 0 276.336 2.104 20 5 CEBDRO CCOC(=O)[C@@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222778 815628175 /nfs/dbraw/zinc/62/81/75/815628175.db2.gz ZCVITRRJUWZFHR-RYUDHWBXSA-N 1 0 294.351 2.315 20 5 CEBDRO CC(C)C[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173233547 815632447 /nfs/dbraw/zinc/63/24/47/815632447.db2.gz JOEMCYNQEQUMFI-BXUZGUMPSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001173231284 815633017 /nfs/dbraw/zinc/63/30/17/815633017.db2.gz AUBAGUVOJWQVTP-YWPYICTPSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C(F)(F)F ZINC001173234559 815634165 /nfs/dbraw/zinc/63/41/65/815634165.db2.gz PJYSDMSVSBPEEE-LDYMZIIASA-N 1 0 292.257 2.039 20 5 CEBDRO CSCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213818 815636559 /nfs/dbraw/zinc/63/65/59/815636559.db2.gz KWWTTXUTJOEFFW-SNVBAGLBSA-N 1 0 254.355 2.478 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(C[NH3+])n1 ZINC001173213569 815637378 /nfs/dbraw/zinc/63/73/78/815637378.db2.gz IUDFQFJNGZBYQU-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO CC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177697218 816607982 /nfs/dbraw/zinc/60/79/82/816607982.db2.gz XJEQZDMGNQTTLN-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000601305662 346816070 /nfs/dbraw/zinc/81/60/70/346816070.db2.gz XEIMUJDFZPKXQH-SWHYSGLUSA-N 1 0 264.325 2.467 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127740697 187330345 /nfs/dbraw/zinc/33/03/45/187330345.db2.gz CBSDGQDAUKLNBB-ZDUSSCGKSA-N 1 0 297.330 2.179 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127764953 187331841 /nfs/dbraw/zinc/33/18/41/187331841.db2.gz FYELLIBZWINLJD-ZDUSSCGKSA-N 1 0 297.330 2.179 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000079914586 343993856 /nfs/dbraw/zinc/99/38/56/343993856.db2.gz PKRNPSWSIWTLKC-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125137811 187171185 /nfs/dbraw/zinc/17/11/85/187171185.db2.gz HLLJJHUOBPUYRT-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333336 346823019 /nfs/dbraw/zinc/82/30/19/346823019.db2.gz CKMJPSRNUMQFOJ-DZGCQCFKSA-N 1 0 275.352 2.169 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000096687023 185109802 /nfs/dbraw/zinc/10/98/02/185109802.db2.gz QJNJRZVMWKCNBM-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO COc1cc(C[NH2+]CCc2ccco2)c([N+](=O)[O-])cc1O ZINC000337843833 214282626 /nfs/dbraw/zinc/28/26/26/214282626.db2.gz HGLLLWBMOHOBKG-UHFFFAOYSA-N 1 0 292.291 2.234 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000449220188 282146615 /nfs/dbraw/zinc/14/66/15/282146615.db2.gz GHEBANVWRHCRGL-MBNYWOFBSA-N 1 0 276.336 2.052 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645064 361918298 /nfs/dbraw/zinc/91/82/98/361918298.db2.gz GTVHSIUNZNRYFC-ZDUSSCGKSA-N 1 0 293.367 2.035 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810262 361947782 /nfs/dbraw/zinc/94/77/82/361947782.db2.gz MHDDGEHLQZXZTO-CQSZACIVSA-N 1 0 279.340 2.071 20 5 CEBDRO C[C@@H]([NH2+]C1CC1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449306223 282180638 /nfs/dbraw/zinc/18/06/38/282180638.db2.gz KFAOOPHXVJBXAD-SNVBAGLBSA-N 1 0 291.351 2.087 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745285 187198555 /nfs/dbraw/zinc/19/85/55/187198555.db2.gz ZAKYQYLDKDMNPY-DOMZBBRYSA-N 1 0 294.351 2.035 20 5 CEBDRO CC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000126249397 187227876 /nfs/dbraw/zinc/22/78/76/187227876.db2.gz LOALTOWBGONFLH-UHFFFAOYSA-N 1 0 274.324 2.447 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294986382 199285543 /nfs/dbraw/zinc/28/55/43/199285543.db2.gz HCNKPZHVUIXMGC-PWSUYJOCSA-N 1 0 288.294 2.397 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000007964206 343360388 /nfs/dbraw/zinc/36/03/88/343360388.db2.gz DIDIEGSGUSZNKH-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046444168 362182361 /nfs/dbraw/zinc/18/23/61/362182361.db2.gz UAIPSRUPIHFVGC-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000046408564 343498660 /nfs/dbraw/zinc/49/86/60/343498660.db2.gz OVDHJTQGQVXXRQ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174431 343586087 /nfs/dbraw/zinc/58/60/87/343586087.db2.gz MWAYBNMRPJFVFT-UHFFFAOYSA-N 1 0 269.370 2.182 20 5 CEBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055541374 343605717 /nfs/dbraw/zinc/60/57/17/343605717.db2.gz AUSHIFZIFQXISO-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C)[NH3+] ZINC000449583573 282292619 /nfs/dbraw/zinc/29/26/19/282292619.db2.gz BOUYLBWCFPIRBQ-JGVFFNPUSA-N 1 0 293.348 2.275 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000063852034 343685117 /nfs/dbraw/zinc/68/51/17/343685117.db2.gz FMLGIVGHUOPEIO-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO CC1CC[NH+](C[C@@H](O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067373133 343734936 /nfs/dbraw/zinc/73/49/36/343734936.db2.gz YWDTWKMJNXDYMV-ZDUSSCGKSA-N 1 0 293.367 2.100 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602056842 346967186 /nfs/dbraw/zinc/96/71/86/346967186.db2.gz ZRRDFCMOQHGMEO-AWEZNQCLSA-N 1 0 291.351 2.038 20 5 CEBDRO Cc1c(NC(=O)C2(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000602028751 346964207 /nfs/dbraw/zinc/96/42/07/346964207.db2.gz DJFCTAYORZWBIB-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077994968 343939066 /nfs/dbraw/zinc/93/90/66/343939066.db2.gz CRXVHWPMKFZIJX-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449638022 282314181 /nfs/dbraw/zinc/31/41/81/282314181.db2.gz IYGLWNVSYZKMOI-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048388357 362263411 /nfs/dbraw/zinc/26/34/11/362263411.db2.gz YKMQKRFGHFPDFH-UHFFFAOYSA-N 1 0 280.328 2.058 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000049075941 362332801 /nfs/dbraw/zinc/33/28/01/362332801.db2.gz ITCBREOJCYQWMW-LLVKDONJSA-N 1 0 274.324 2.278 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000081980048 344069745 /nfs/dbraw/zinc/06/97/45/344069745.db2.gz TZRKJYNNYZWINC-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000088725860 344113716 /nfs/dbraw/zinc/11/37/16/344113716.db2.gz INCSFQFXBLRQDN-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC1CCC([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602431060 347030513 /nfs/dbraw/zinc/03/05/13/347030513.db2.gz HMYUBWVQNIVHDI-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049480634 362366424 /nfs/dbraw/zinc/36/64/24/362366424.db2.gz WTVGOXGJUQMOGM-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000092652083 344197318 /nfs/dbraw/zinc/19/73/18/344197318.db2.gz HXBGQEJAJZCIHC-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C1CC1)[NH+](C)C ZINC000092650594 344197734 /nfs/dbraw/zinc/19/77/34/344197734.db2.gz FSDPGBQZXNETGK-GFCCVEGCSA-N 1 0 264.329 2.050 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000092650599 344197783 /nfs/dbraw/zinc/19/77/83/344197783.db2.gz OJCWUMYBRKQOPZ-ZDUSSCGKSA-N 1 0 297.330 2.495 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C2=CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602468654 347044783 /nfs/dbraw/zinc/04/47/83/347044783.db2.gz XCXOXNCRNZCLRP-ZWNOBZJWSA-N 1 0 289.335 2.128 20 5 CEBDRO COc1cc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000118289860 344291070 /nfs/dbraw/zinc/29/10/70/344291070.db2.gz BKHHKKOYYWDORC-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)O ZINC000119046280 344293407 /nfs/dbraw/zinc/29/34/07/344293407.db2.gz AHGWRFVDTFIZNG-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129267376 344342610 /nfs/dbraw/zinc/34/26/10/344342610.db2.gz OAZKUQNURXYUFL-WPRPVWTQSA-N 1 0 297.742 2.200 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000129670925 344346138 /nfs/dbraw/zinc/34/61/38/344346138.db2.gz AOROVKBPSZADIT-XDTLVQLUSA-N 1 0 264.325 2.405 20 5 CEBDRO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122629200 344307604 /nfs/dbraw/zinc/30/76/04/344307604.db2.gz KQILWYNNXYKCKT-GXFFZTMASA-N 1 0 292.339 2.186 20 5 CEBDRO Cn1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602477036 347050967 /nfs/dbraw/zinc/05/09/67/347050967.db2.gz OVSPQQKOMYGBDV-RYUDHWBXSA-N 1 0 296.396 2.188 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCSCC2)cc1 ZINC000134486132 344374829 /nfs/dbraw/zinc/37/48/29/344374829.db2.gz DQQOCNGEEMWZNP-UHFFFAOYSA-N 1 0 282.365 2.459 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000157351231 344445820 /nfs/dbraw/zinc/44/58/20/344445820.db2.gz UKMHKBXJCLDHJH-LLVKDONJSA-N 1 0 264.325 2.326 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000211104585 344531557 /nfs/dbraw/zinc/53/15/57/344531557.db2.gz RNRBNJANBJMXGG-NSHDSACASA-N 1 0 264.325 2.326 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000228560312 344561047 /nfs/dbraw/zinc/56/10/47/344561047.db2.gz GSPUOCLQPPSHNR-VIFPVBQESA-N 1 0 260.253 2.069 20 5 CEBDRO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444823 362420958 /nfs/dbraw/zinc/42/09/58/362420958.db2.gz GIYRJRVQNBBRNG-LLVKDONJSA-N 1 0 269.732 2.171 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000051896798 362447889 /nfs/dbraw/zinc/44/78/89/362447889.db2.gz GJAKWKYVWOWCCQ-AWEZNQCLSA-N 1 0 278.352 2.232 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCCCC2)cc1 ZINC000053097156 362481864 /nfs/dbraw/zinc/48/18/64/362481864.db2.gz ZGNKNVUHPPRKIZ-UHFFFAOYSA-N 1 0 278.352 2.422 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297726 362490961 /nfs/dbraw/zinc/49/09/61/362490961.db2.gz OCGRUXHQLXNMBO-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO Cc1c([C@H](C)[NH2+]Cc2cncn2C)cccc1[N+](=O)[O-] ZINC000289614797 344682273 /nfs/dbraw/zinc/68/22/73/344682273.db2.gz DGZVDBOVGRKQRT-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392784 344667867 /nfs/dbraw/zinc/66/78/67/344667867.db2.gz YFWRGCZWBCFRPZ-GOEBONIOSA-N 1 0 289.379 2.163 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252883501 344642391 /nfs/dbraw/zinc/64/23/91/344642391.db2.gz VEEMRZYLOKRYBM-YDHLFZDLSA-N 1 0 276.336 2.106 20 5 CEBDRO CCOC1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000602517175 347064777 /nfs/dbraw/zinc/06/47/77/347064777.db2.gz WTSKMZGNIYKSPP-UHFFFAOYSA-N 1 0 264.325 2.500 20 5 CEBDRO CO[C@@H](C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527767 347066911 /nfs/dbraw/zinc/06/69/11/347066911.db2.gz KXZIKJPRFRQROZ-VIFPVBQESA-N 1 0 279.296 2.251 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000602551438 347073451 /nfs/dbraw/zinc/07/34/51/347073451.db2.gz DGIOYRKIQDIXEM-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000414667449 530044429 /nfs/dbraw/zinc/04/44/29/530044429.db2.gz XTUQBEWVUPJHJM-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552868 347073843 /nfs/dbraw/zinc/07/38/43/347073843.db2.gz YOJCQCHAQGPWOM-VIFPVBQESA-N 1 0 279.296 2.251 20 5 CEBDRO C[C@H](O)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586028 344960122 /nfs/dbraw/zinc/96/01/22/344960122.db2.gz IGBQPMPKPDCGDM-YUMQZZPRSA-N 1 0 292.257 2.473 20 5 CEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744289 344982867 /nfs/dbraw/zinc/98/28/67/344982867.db2.gz UTUPPIFWPRDIGJ-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295089633 199340544 /nfs/dbraw/zinc/34/05/44/199340544.db2.gz JEPANUOFKAXRBV-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584836345 344991951 /nfs/dbraw/zinc/99/19/51/344991951.db2.gz JJWDEDXXEPIHOM-DZGCQCFKSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H](CO)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590020762 345111002 /nfs/dbraw/zinc/11/10/02/345111002.db2.gz GCILIKVECFDZHJ-SNVBAGLBSA-N 1 0 252.314 2.048 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052492 345111558 /nfs/dbraw/zinc/11/15/58/345111558.db2.gz DAPSLQRBYKQYSL-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000590703945 345164413 /nfs/dbraw/zinc/16/44/13/345164413.db2.gz HADDGOBRWIYTRN-LLVKDONJSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590404087 345133977 /nfs/dbraw/zinc/13/39/77/345133977.db2.gz TWRPIRFNIFECFS-FZMZJTMJSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000590567105 345146040 /nfs/dbraw/zinc/14/60/40/345146040.db2.gz WTQNHAFFTFXIKO-FZMZJTMJSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000590599119 345150207 /nfs/dbraw/zinc/15/02/07/345150207.db2.gz CSTBSPUSINOWHZ-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160946 345227068 /nfs/dbraw/zinc/22/70/68/345227068.db2.gz MVDCCNUCAIRBQX-PWSUYJOCSA-N 1 0 294.330 2.192 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[NH2+]1 ZINC000591275573 345236699 /nfs/dbraw/zinc/23/66/99/345236699.db2.gz FCUZJBDAVBRFKN-CYBMUJFWSA-N 1 0 293.367 2.225 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000591271674 345236884 /nfs/dbraw/zinc/23/68/84/345236884.db2.gz MLDLMWYTEHXAIW-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972405 345208571 /nfs/dbraw/zinc/20/85/71/345208571.db2.gz QHMHTBNPTANXFO-DOMZBBRYSA-N 1 0 292.335 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000591439453 345254847 /nfs/dbraw/zinc/25/48/47/345254847.db2.gz VGNBCLFKXQKBKP-ABAIWWIYSA-N 1 0 298.346 2.331 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC1CC1 ZINC000591577255 345266291 /nfs/dbraw/zinc/26/62/91/345266291.db2.gz GYXMCRVUODKSOF-LBPRGKRZSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1c([C@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000591579930 345266769 /nfs/dbraw/zinc/26/67/69/345266769.db2.gz AESSFODKHKDOAB-SRVKXCTJSA-N 1 0 281.331 2.254 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC13CC3)OCCO2 ZINC000591640365 345272100 /nfs/dbraw/zinc/27/21/00/345272100.db2.gz BVBXIPYFYJGVTK-ZDUSSCGKSA-N 1 0 276.292 2.008 20 5 CEBDRO C[C@@](O)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591758017 345277991 /nfs/dbraw/zinc/27/79/91/345277991.db2.gz KKYFKFOJYMSCRD-LLVKDONJSA-N 1 0 292.257 2.040 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374823 345347612 /nfs/dbraw/zinc/34/76/12/345347612.db2.gz LLTWUEHIXUAGPG-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000592394069 345349468 /nfs/dbraw/zinc/34/94/68/345349468.db2.gz LOKCCFBKLIOPNK-LLVKDONJSA-N 1 0 289.339 2.007 20 5 CEBDRO CC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000592431616 345352524 /nfs/dbraw/zinc/35/25/24/345352524.db2.gz PUTXCPVEGAEQDG-UHFFFAOYSA-N 1 0 267.304 2.047 20 5 CEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592434789 345353030 /nfs/dbraw/zinc/35/30/30/345353030.db2.gz PSKVVZYCHVOWJG-WFVZMWEJSA-N 1 0 293.342 2.240 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])cc(C2=CC[NH2+]CC2)c1C ZINC000592989063 345419191 /nfs/dbraw/zinc/41/91/91/345419191.db2.gz PVMBKPIVHXTFDI-UHFFFAOYSA-N 1 0 276.292 2.067 20 5 CEBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108791 345441325 /nfs/dbraw/zinc/44/13/25/345441325.db2.gz CKUJCVVGLPASJU-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719502 345527000 /nfs/dbraw/zinc/52/70/00/345527000.db2.gz YZSQTJYVHXNJAB-JQWIXIFHSA-N 1 0 270.304 2.274 20 5 CEBDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722810 345528091 /nfs/dbraw/zinc/52/80/91/345528091.db2.gz ZAYXZMVFEFBBNY-WFASDCNBSA-N 1 0 294.351 2.177 20 5 CEBDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605089 345512056 /nfs/dbraw/zinc/51/20/56/345512056.db2.gz GHADYEJIWBYSFG-QWHCGFSZSA-N 1 0 266.345 2.350 20 5 CEBDRO COc1cccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594591247 345653214 /nfs/dbraw/zinc/65/32/14/345653214.db2.gz JAQLAKJGRFCNAN-PHIMTYICSA-N 1 0 279.340 2.356 20 5 CEBDRO Cc1cnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594592632 345653853 /nfs/dbraw/zinc/65/38/53/345653853.db2.gz UXFYVZWQHGJZMS-PHIMTYICSA-N 1 0 264.329 2.050 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594600000 345656984 /nfs/dbraw/zinc/65/69/84/345656984.db2.gz KYECQOIWIUEUCO-YPMHNXCESA-N 1 0 276.340 2.419 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594708830 345675667 /nfs/dbraw/zinc/67/56/67/345675667.db2.gz CBILISHKIUSSAI-TYNCELHUSA-N 1 0 294.351 2.297 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594968961 345719662 /nfs/dbraw/zinc/71/96/62/345719662.db2.gz XZMRPGDFKVMDDW-RDXCRGQUSA-N 1 0 296.392 2.374 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982401 345721264 /nfs/dbraw/zinc/72/12/64/345721264.db2.gz DTMYRVKBOBIXQS-ZDUSSCGKSA-N 1 0 294.351 2.102 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020798 345728664 /nfs/dbraw/zinc/72/86/64/345728664.db2.gz NTDYMVLQEDZGJW-PWSUYJOCSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCn3nccc32)c1 ZINC000595033196 345731686 /nfs/dbraw/zinc/73/16/86/345731686.db2.gz BQIRUXDEYXHZST-AWEZNQCLSA-N 1 0 286.335 2.459 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000595039638 345732975 /nfs/dbraw/zinc/73/29/75/345732975.db2.gz UPDZHLAOHRUHAL-NWDGAFQWSA-N 1 0 295.383 2.452 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000595564475 345814230 /nfs/dbraw/zinc/81/42/30/345814230.db2.gz ZQVOJNHXFJLCLK-RISCZKNCSA-N 1 0 280.299 2.345 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388845 345772542 /nfs/dbraw/zinc/77/25/42/345772542.db2.gz XRVYLNJSQATBCZ-CYBMUJFWSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396416 345773930 /nfs/dbraw/zinc/77/39/30/345773930.db2.gz LOOJCSANNHDBGS-GWCFXTLKSA-N 1 0 282.315 2.469 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000595454712 345786834 /nfs/dbraw/zinc/78/68/34/345786834.db2.gz OGGVGTZTNJCYBI-ZWNOBZJWSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1noc(C[N@H+]2CCC[C@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000595458038 345788404 /nfs/dbraw/zinc/78/84/04/345788404.db2.gz PICUUCTZLOHVAV-CQSZACIVSA-N 1 0 297.355 2.264 20 5 CEBDRO Cc1noc(C[N@@H+]2CCCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595474903 345791994 /nfs/dbraw/zinc/79/19/94/345791994.db2.gz HYPYXMGCTRFECY-NSHDSACASA-N 1 0 283.328 2.018 20 5 CEBDRO CC[C@H](C)[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595598811 345822028 /nfs/dbraw/zinc/82/20/28/345822028.db2.gz GXISXVLXLPDRAM-STQMWFEESA-N 1 0 296.367 2.455 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595925866 345914426 /nfs/dbraw/zinc/91/44/26/345914426.db2.gz VWMPPHRHIDUYPX-AWEZNQCLSA-N 1 0 293.367 2.032 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595947058 345917414 /nfs/dbraw/zinc/91/74/14/345917414.db2.gz HCCCFLIVYJKCHD-GFCCVEGCSA-N 1 0 299.758 2.351 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000596013200 345923322 /nfs/dbraw/zinc/92/33/22/345923322.db2.gz DOXVEHMTRVKEGY-TUAOUCFPSA-N 1 0 293.367 2.413 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000596016979 345923741 /nfs/dbraw/zinc/92/37/41/345923741.db2.gz XNWDDFJXLWYFQQ-OAHLLOKOSA-N 1 0 291.351 2.183 20 5 CEBDRO CCn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000596062366 345931011 /nfs/dbraw/zinc/93/10/11/345931011.db2.gz QARINKSHVOAFCJ-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596164137 345957351 /nfs/dbraw/zinc/95/73/51/345957351.db2.gz WCHALZVYSZGCNV-NSHDSACASA-N 1 0 294.355 2.085 20 5 CEBDRO CC(C)C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070702 345932850 /nfs/dbraw/zinc/93/28/50/345932850.db2.gz ITIVZKLBJSIHIU-SNVBAGLBSA-N 1 0 282.344 2.084 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596078292 345934926 /nfs/dbraw/zinc/93/49/26/345934926.db2.gz VMXUCHYPYDYSEV-SECBINFHSA-N 1 0 286.763 2.207 20 5 CEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000596433837 346022539 /nfs/dbraw/zinc/02/25/39/346022539.db2.gz USHDQBFYOJPDPM-QMMMGPOBSA-N 1 0 270.308 2.068 20 5 CEBDRO C[C@H](CCNc1c2ccccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000596435035 346023484 /nfs/dbraw/zinc/02/34/84/346023484.db2.gz ZKJRLJOZBKEDON-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000596453883 346028016 /nfs/dbraw/zinc/02/80/16/346028016.db2.gz PYIBGEJRTFNUGC-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476335 346033225 /nfs/dbraw/zinc/03/32/25/346033225.db2.gz CUFQAPAVHSHQRJ-LBPRGKRZSA-N 1 0 290.367 2.231 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000295126099 199359254 /nfs/dbraw/zinc/35/92/54/199359254.db2.gz NXLSLZXNYZTCSV-NSHDSACASA-N 1 0 282.340 2.102 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859028 346239811 /nfs/dbraw/zinc/23/98/11/346239811.db2.gz QCBKXXKCQVDIRK-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO C[NH2+]C1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000598634202 346388977 /nfs/dbraw/zinc/38/89/77/346388977.db2.gz SSRRFALJDLFPLZ-UHFFFAOYSA-N 1 0 253.277 2.288 20 5 CEBDRO C[NH+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000522008546 313138981 /nfs/dbraw/zinc/13/89/81/313138981.db2.gz TZSPLDFYUCQKOX-LLVKDONJSA-N 1 0 291.273 2.349 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000598651810 346393849 /nfs/dbraw/zinc/39/38/49/346393849.db2.gz WBACVSJAOQJARG-JQWIXIFHSA-N 1 0 282.315 2.184 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000599006289 346445406 /nfs/dbraw/zinc/44/54/06/346445406.db2.gz GJLWVLMTMPUWNI-WDEREUQCSA-N 1 0 268.338 2.313 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599069734 346455979 /nfs/dbraw/zinc/45/59/79/346455979.db2.gz HKKBIGAOALDVRE-YRGRVCCFSA-N 1 0 291.351 2.290 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599163043 346470392 /nfs/dbraw/zinc/47/03/92/346470392.db2.gz ADPIUQJCLZSNJL-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599164707 346470601 /nfs/dbraw/zinc/47/06/01/346470601.db2.gz KEMUIQJSAVPRDQ-ZDUSSCGKSA-N 1 0 290.367 2.149 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599165739 346471190 /nfs/dbraw/zinc/47/11/90/346471190.db2.gz RTOVYTZMOWBOPW-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175955 346473276 /nfs/dbraw/zinc/47/32/76/346473276.db2.gz KYFMMFHGXYAVPD-LLVKDONJSA-N 1 0 299.758 2.035 20 5 CEBDRO CO[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336795747 365818299 /nfs/dbraw/zinc/81/82/99/365818299.db2.gz MZLMIJSIXIDWHX-SECBINFHSA-N 1 0 256.277 2.249 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599673760 346560154 /nfs/dbraw/zinc/56/01/54/346560154.db2.gz YASRSWCSXDZLKQ-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599589738 346543250 /nfs/dbraw/zinc/54/32/50/346543250.db2.gz UMYPBMCRGUMMOG-CMPLNLGQSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599622434 346546893 /nfs/dbraw/zinc/54/68/93/346546893.db2.gz DDCGENSZXHUWOU-FBKDDSFISA-N 1 0 264.325 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679430 346672860 /nfs/dbraw/zinc/67/28/60/346672860.db2.gz KEYPNWLBJSJDNH-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000600819783 346696467 /nfs/dbraw/zinc/69/64/67/346696467.db2.gz YIQVACOYJMYFDD-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000128452520 187370908 /nfs/dbraw/zinc/37/09/08/187370908.db2.gz RTZJLHOQOIYIEO-ZYHUDNBSSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000601127226 346761651 /nfs/dbraw/zinc/76/16/51/346761651.db2.gz CJXWFJDEZMKLPY-SCZZXKLOSA-N 1 0 280.303 2.166 20 5 CEBDRO Cc1cccc(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000275539783 232580399 /nfs/dbraw/zinc/58/03/99/232580399.db2.gz ZYBYSHDRXVEBTI-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CC(C)[C@@H](CO)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601163880 346774490 /nfs/dbraw/zinc/77/44/90/346774490.db2.gz SBSAQNJEOFOBOM-LLVKDONJSA-N 1 0 289.335 2.241 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129458349 365860682 /nfs/dbraw/zinc/86/06/82/365860682.db2.gz KYCOSMJJPNLPRQ-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@@H](CC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000336818201 365863310 /nfs/dbraw/zinc/86/33/10/365863310.db2.gz UNRRATCPMOCYPR-LURJTMIESA-N 1 0 278.234 2.158 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705484 347160303 /nfs/dbraw/zinc/16/03/03/347160303.db2.gz GNOSLCOMMGRHSY-MFKMUULPSA-N 1 0 287.323 2.024 20 5 CEBDRO C[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602654094 347124966 /nfs/dbraw/zinc/12/49/66/347124966.db2.gz IYEGVDBRXQHLMY-FZMZJTMJSA-N 1 0 290.367 2.347 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783200 347196391 /nfs/dbraw/zinc/19/63/91/347196391.db2.gz NOIFHGQTOHTUQN-NTZNESFSSA-N 1 0 278.356 2.481 20 5 CEBDRO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602787254 347198066 /nfs/dbraw/zinc/19/80/66/347198066.db2.gz JSAAZENNLCYSQM-UHFFFAOYSA-N 1 0 266.345 2.481 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000602803778 347205887 /nfs/dbraw/zinc/20/58/87/347205887.db2.gz GBZXSYUSHXNRGU-CYBMUJFWSA-N 1 0 278.356 2.388 20 5 CEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809350 347208500 /nfs/dbraw/zinc/20/85/00/347208500.db2.gz BGQNDWRKKLHDLW-PWSUYJOCSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810782 347209289 /nfs/dbraw/zinc/20/92/89/347209289.db2.gz JCRMVAHKEQNNEQ-FOGDFJRCSA-N 1 0 266.345 2.243 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813973 347210932 /nfs/dbraw/zinc/21/09/32/347210932.db2.gz AYUUVLXCUWWVKP-GMTAPVOTSA-N 1 0 266.345 2.195 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602757666 347186946 /nfs/dbraw/zinc/18/69/46/347186946.db2.gz CTRRNXXFMHKEEQ-LLVKDONJSA-N 1 0 252.318 2.093 20 5 CEBDRO CC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602761912 347187935 /nfs/dbraw/zinc/18/79/35/347187935.db2.gz ZRLLOKKBHZVDHH-LBPRGKRZSA-N 1 0 266.345 2.222 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000128479458 187373134 /nfs/dbraw/zinc/37/31/34/187373134.db2.gz YODFHLQQTISNJQ-CQSZACIVSA-N 1 0 295.383 2.409 20 5 CEBDRO CO[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896403 347240751 /nfs/dbraw/zinc/24/07/51/347240751.db2.gz GPWJEHYXWXQVKZ-RISCZKNCSA-N 1 0 280.324 2.269 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187316 347303341 /nfs/dbraw/zinc/30/33/41/347303341.db2.gz RHPMKPLHIZASGD-CYBMUJFWSA-N 1 0 289.339 2.281 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC000603405481 347360917 /nfs/dbraw/zinc/36/09/17/347360917.db2.gz JFULLYHLFOYDLD-QWRGUYRKSA-N 1 0 264.329 2.130 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])C1(C)C ZINC000603408032 347362137 /nfs/dbraw/zinc/36/21/37/347362137.db2.gz WDVXPCMBCLMVCY-GHMZBOCLSA-N 1 0 264.329 2.130 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CSCC[NH2+]1 ZINC000603421268 347366539 /nfs/dbraw/zinc/36/65/39/347366539.db2.gz YZDDRZUCQADWKM-VIFPVBQESA-N 1 0 287.772 2.365 20 5 CEBDRO CCOC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536199 362833423 /nfs/dbraw/zinc/83/34/23/362833423.db2.gz JNORRXPGZVLANZ-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829231 365892371 /nfs/dbraw/zinc/89/23/71/365892371.db2.gz BRUZDSXZISSRNC-AAEUAGOBSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1ccnc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609670072 347648891 /nfs/dbraw/zinc/64/88/91/347648891.db2.gz ZLEIGMIWZHEBEU-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000609839866 347652428 /nfs/dbraw/zinc/65/24/28/347652428.db2.gz DHEJURNPDWGKRG-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000336834388 365901938 /nfs/dbraw/zinc/90/19/38/365901938.db2.gz QTMQBFZEDJQKDU-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1nc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610754912 347711420 /nfs/dbraw/zinc/71/14/20/347711420.db2.gz QBRPZORAMUSBQT-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611082475 347737208 /nfs/dbraw/zinc/73/72/08/347737208.db2.gz SNFLCTFXPQWEMW-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000611116276 347740881 /nfs/dbraw/zinc/74/08/81/347740881.db2.gz RUSVEEIAWPBHOJ-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C1CC1 ZINC000611206787 347751058 /nfs/dbraw/zinc/75/10/58/347751058.db2.gz IFYHIGCSDROMCR-QMTHXVAHSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611516761 347789246 /nfs/dbraw/zinc/78/92/46/347789246.db2.gz TUNZWLYFFNKSMT-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000086468327 179299941 /nfs/dbraw/zinc/29/99/41/179299941.db2.gz JYZMKSCTXNYKSP-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000339391982 215139787 /nfs/dbraw/zinc/13/97/87/215139787.db2.gz LNUGBUKAEALHKA-UHFFFAOYSA-N 1 0 290.367 2.243 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCOCC2)c1 ZINC000086874465 179364651 /nfs/dbraw/zinc/36/46/51/179364651.db2.gz NCMBHYRIXCICIW-GFCCVEGCSA-N 1 0 250.298 2.254 20 5 CEBDRO COc1cc(C[NH2+]CC[C@@H](C)F)c([N+](=O)[O-])cc1OC ZINC000339482218 215200083 /nfs/dbraw/zinc/20/00/83/215200083.db2.gz GTHXQSYAKTWHPJ-SECBINFHSA-N 1 0 286.303 2.450 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000273437208 192149701 /nfs/dbraw/zinc/14/97/01/192149701.db2.gz VTZORMMKIZCWKW-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357388359 233061091 /nfs/dbraw/zinc/06/10/91/233061091.db2.gz INLBGAUYWZOBNU-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493621542 290875183 /nfs/dbraw/zinc/87/51/83/290875183.db2.gz FKJYOCQLKGGNRF-HJWRWDBZSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000339623424 215273765 /nfs/dbraw/zinc/27/37/65/215273765.db2.gz YZOZCWWYGABEQD-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550592 180003113 /nfs/dbraw/zinc/00/31/13/180003113.db2.gz TUHMCGUINACDFL-STQMWFEESA-N 1 0 293.367 2.267 20 5 CEBDRO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720433 180030023 /nfs/dbraw/zinc/03/00/23/180030023.db2.gz IFNKUFBWOBHDHD-WCQYABFASA-N 1 0 293.367 2.176 20 5 CEBDRO C[N@H+](CCc1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC000271291520 191054338 /nfs/dbraw/zinc/05/43/38/191054338.db2.gz CJJKMUXSLLXDJY-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412084755 233334676 /nfs/dbraw/zinc/33/46/76/233334676.db2.gz QSZAVSSMKGJAJB-DGCLKSJQSA-N 1 0 264.325 2.188 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352186799 219351297 /nfs/dbraw/zinc/35/12/97/219351297.db2.gz NZIYDAVWIMKDAY-ZDUSSCGKSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000108433496 186216630 /nfs/dbraw/zinc/21/66/30/186216630.db2.gz ILWHOGPYUMIGKA-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1c(C[N@H+](C)CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000271394470 191113604 /nfs/dbraw/zinc/11/36/04/191113604.db2.gz VUXYXHNODMMXMV-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110792868 186325230 /nfs/dbraw/zinc/32/52/30/186325230.db2.gz GVCMWJVOQCXPJR-NSHDSACASA-N 1 0 264.329 2.100 20 5 CEBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000130103591 187470509 /nfs/dbraw/zinc/47/05/09/187470509.db2.gz POCKJIKCUVJNHN-UHFFFAOYSA-N 1 0 295.339 2.038 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CCOCC1 ZINC000113925395 186599559 /nfs/dbraw/zinc/59/95/59/186599559.db2.gz QHPPIJHOBYPROX-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172738 363046114 /nfs/dbraw/zinc/04/61/14/363046114.db2.gz FECSELBOADMUMA-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177143 363048900 /nfs/dbraw/zinc/04/89/00/363048900.db2.gz JJFMCVVRPYQDTA-GXFFZTMASA-N 1 0 292.339 2.186 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253362 363062462 /nfs/dbraw/zinc/06/24/62/363062462.db2.gz LEXHTPLXOVXEQK-LBPRGKRZSA-N 1 0 289.335 2.231 20 5 CEBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000072590274 363148058 /nfs/dbraw/zinc/14/80/58/363148058.db2.gz UVBHPECGCZCIMX-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072874679 363177095 /nfs/dbraw/zinc/17/70/95/363177095.db2.gz FLWCXIUBUXPZND-LLVKDONJSA-N 1 0 277.324 2.042 20 5 CEBDRO CC(C)Oc1nc(SCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000563428556 313738877 /nfs/dbraw/zinc/73/88/77/313738877.db2.gz XNZJPYXZVBDCIJ-UHFFFAOYSA-N 1 0 285.369 2.431 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238407 187809842 /nfs/dbraw/zinc/80/98/42/187809842.db2.gz JIXNWEYSUVIHRN-OAHLLOKOSA-N 1 0 293.367 2.017 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271623017 191245676 /nfs/dbraw/zinc/24/56/76/191245676.db2.gz XWHJPZYFYCNGHM-WDEREUQCSA-N 1 0 252.318 2.054 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@H]1CCC[NH2+]C1 ZINC000149425322 187922054 /nfs/dbraw/zinc/92/20/54/187922054.db2.gz UHUHTHOEJMGTQH-SECBINFHSA-N 1 0 284.747 2.445 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494477669 290975436 /nfs/dbraw/zinc/97/54/36/290975436.db2.gz SVFWZKMDGWBPQQ-BPIHMUFXSA-N 1 0 276.336 2.357 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152652841 188034951 /nfs/dbraw/zinc/03/49/51/188034951.db2.gz WRBLERNRVNJKRS-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271668421 191267379 /nfs/dbraw/zinc/26/73/79/191267379.db2.gz MUMIHBOLBNNXLO-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO CSC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154471666 188143900 /nfs/dbraw/zinc/14/39/00/188143900.db2.gz FVCBKULEOPKSEV-KGLIPLIRSA-N 1 0 296.392 2.456 20 5 CEBDRO COCC(C)(C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000292457019 198295950 /nfs/dbraw/zinc/29/59/50/198295950.db2.gz YMGIDCCSGRVEMV-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000159606084 188433967 /nfs/dbraw/zinc/43/39/67/188433967.db2.gz CSBJPEDXZRHSJJ-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000073856079 363259074 /nfs/dbraw/zinc/25/90/74/363259074.db2.gz PFMSUZXBRAMYLO-LBPRGKRZSA-N 1 0 266.345 2.378 20 5 CEBDRO Cc1cccc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293243102 198573392 /nfs/dbraw/zinc/57/33/92/198573392.db2.gz ZLDSPWQYSBOBNT-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074746745 363381390 /nfs/dbraw/zinc/38/13/90/363381390.db2.gz XCIONHOYEIVAEN-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000452003378 283159750 /nfs/dbraw/zinc/15/97/50/283159750.db2.gz GHQIMAPQDYQJCU-JTQLQIEISA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134238590 366302638 /nfs/dbraw/zinc/30/26/38/366302638.db2.gz FAHCQELEGXULEH-PWSUYJOCSA-N 1 0 250.298 2.170 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134369482 366312005 /nfs/dbraw/zinc/31/20/05/366312005.db2.gz AMVHRDCDKVFPGB-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO CN(C)c1ncccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078880011 363552079 /nfs/dbraw/zinc/55/20/79/363552079.db2.gz GWMUMJBWBNJDHP-UHFFFAOYSA-N 1 0 292.320 2.370 20 5 CEBDRO CS[C@@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134571291 366340924 /nfs/dbraw/zinc/34/09/24/366340924.db2.gz IIMZVNGBRHXTFX-LLVKDONJSA-N 1 0 284.385 2.009 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134795827 366361135 /nfs/dbraw/zinc/36/11/35/366361135.db2.gz DSCYGTNOMACSKL-LLVKDONJSA-N 1 0 297.742 2.024 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913647 366372484 /nfs/dbraw/zinc/37/24/84/366372484.db2.gz SZBLCTNJFUYRPY-LBPRGKRZSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414521323 236398395 /nfs/dbraw/zinc/39/83/95/236398395.db2.gz FJBBYWGDMWRTST-LJXYTEIVSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414705242 236452982 /nfs/dbraw/zinc/45/29/82/236452982.db2.gz NTLNGTOQMNKNPD-CABZTGNLSA-N 1 0 292.339 2.023 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135242675 366414560 /nfs/dbraw/zinc/41/45/60/366414560.db2.gz IJGQWFDLVFVJPU-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135469053 366444196 /nfs/dbraw/zinc/44/41/96/366444196.db2.gz FHIINLMUKPDNPJ-VWYCJHECSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415509037 236676623 /nfs/dbraw/zinc/67/66/23/236676623.db2.gz VTCNJGJEHPDEQU-PWSUYJOCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415509038 236678089 /nfs/dbraw/zinc/67/80/89/236678089.db2.gz VTCNJGJEHPDEQU-ZYHUDNBSSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000136163850 366499857 /nfs/dbraw/zinc/49/98/57/366499857.db2.gz IZESVCBLGWLKNQ-STQMWFEESA-N 1 0 294.351 2.209 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089090782 283478092 /nfs/dbraw/zinc/47/80/92/283478092.db2.gz GOBJSZVRZOKINL-KWQFWETISA-N 1 0 297.742 2.105 20 5 CEBDRO CC(C)([NH2+]CCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000297557529 200227305 /nfs/dbraw/zinc/22/73/05/200227305.db2.gz ATQNCYCJEGKVJX-UHFFFAOYSA-N 1 0 274.324 2.385 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453365333 283538945 /nfs/dbraw/zinc/53/89/45/283538945.db2.gz RNXXVOMLYSBIBV-UXIGCNINSA-N 1 0 294.351 2.358 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341938193 216159519 /nfs/dbraw/zinc/15/95/19/216159519.db2.gz TWODFABXCIXCNU-STQMWFEESA-N 1 0 292.383 2.395 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063191411 296023718 /nfs/dbraw/zinc/02/37/18/296023718.db2.gz YBLUIVUYPWCVCI-YPMHNXCESA-N 1 0 263.341 2.297 20 5 CEBDRO CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000181474599 189297940 /nfs/dbraw/zinc/29/79/40/189297940.db2.gz DGCMFUOEQRZTQH-CYBMUJFWSA-N 1 0 293.323 2.086 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCCCO)C1CC1 ZINC000152553141 366703080 /nfs/dbraw/zinc/70/30/80/366703080.db2.gz LTUNFQLOOICNHT-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736323 366818926 /nfs/dbraw/zinc/81/89/26/366818926.db2.gz RVQBOSIKNPANGR-CYBMUJFWSA-N 1 0 272.308 2.403 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092587 361579199 /nfs/dbraw/zinc/57/91/99/361579199.db2.gz YZVNVYAHJBPLQF-GWCFXTLKSA-N 1 0 250.298 2.424 20 5 CEBDRO CCC[NH+](CCC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027271023 361649630 /nfs/dbraw/zinc/64/96/30/361649630.db2.gz AYXOCULKEBFSJR-UHFFFAOYSA-N 1 0 279.340 2.316 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090795386 364065699 /nfs/dbraw/zinc/06/56/99/364065699.db2.gz OGHOLTIOHHYWBC-GHMZBOCLSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188836131 189515157 /nfs/dbraw/zinc/51/51/57/189515157.db2.gz ICNRHOLIEARQQT-AAEUAGOBSA-N 1 0 264.325 2.154 20 5 CEBDRO CCOCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093317846 364163336 /nfs/dbraw/zinc/16/33/36/364163336.db2.gz JLPVZKNXABQRSL-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000111385851 364732573 /nfs/dbraw/zinc/73/25/73/364732573.db2.gz HOQXANSUVVOQJT-UHFFFAOYSA-N 1 0 290.266 2.057 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843750 365185164 /nfs/dbraw/zinc/18/51/64/365185164.db2.gz RQZONTHESJETHH-CQSZACIVSA-N 1 0 277.368 2.368 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000245409941 370816114 /nfs/dbraw/zinc/81/61/14/370816114.db2.gz ORISGIALUAEXIS-WCQYABFASA-N 1 0 264.329 2.056 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120282452 365400644 /nfs/dbraw/zinc/40/06/44/365400644.db2.gz PYVSMLIBPPRNMC-UHFFFAOYSA-N 1 0 299.758 2.110 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000159751451 366945038 /nfs/dbraw/zinc/94/50/38/366945038.db2.gz IOVVWMFXELHFLP-OCCSQVGLSA-N 1 0 264.325 2.188 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000582840232 366964781 /nfs/dbraw/zinc/96/47/81/366964781.db2.gz PQAKLYRLZCNBKF-ZDUSSCGKSA-N 1 0 272.308 2.176 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000590570387 367197948 /nfs/dbraw/zinc/19/79/48/367197948.db2.gz YIDADCVSADGLFU-SCZZXKLOSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000245600484 370847371 /nfs/dbraw/zinc/84/73/71/370847371.db2.gz VFOYBVPPGQSUES-OLZOCXBDSA-N 1 0 293.367 2.125 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168621249 367357417 /nfs/dbraw/zinc/35/74/17/367357417.db2.gz BBXQQWDUCQPIBA-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171040885 367466663 /nfs/dbraw/zinc/46/66/63/367466663.db2.gz WMTGSNBMUQSGEH-LBPRGKRZSA-N 1 0 280.324 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171068205 367470177 /nfs/dbraw/zinc/47/01/77/367470177.db2.gz VZXXXHYRVAXJPD-LBPRGKRZSA-N 1 0 292.339 2.071 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000171070768 367471112 /nfs/dbraw/zinc/47/11/12/367471112.db2.gz WZUZUQJUVKVYIV-NSHDSACASA-N 1 0 292.339 2.071 20 5 CEBDRO CCOC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171031683 367464904 /nfs/dbraw/zinc/46/49/04/367464904.db2.gz DWDSAHHNERQJLC-UHFFFAOYSA-N 1 0 280.324 2.370 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000171377556 367531350 /nfs/dbraw/zinc/53/13/50/367531350.db2.gz JCIMWSVBFWEFMC-CYBMUJFWSA-N 1 0 292.335 2.180 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171377545 367531504 /nfs/dbraw/zinc/53/15/04/367531504.db2.gz JCIMWSVBFWEFMC-ZDUSSCGKSA-N 1 0 292.335 2.180 20 5 CEBDRO Cn1ccnc1[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000343266449 367732084 /nfs/dbraw/zinc/73/20/84/367732084.db2.gz DKKNUSAOHBHBNJ-VIFPVBQESA-N 1 0 279.325 2.348 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051543 370886552 /nfs/dbraw/zinc/88/65/52/370886552.db2.gz WODRHCBQGHGGDG-QEJZJMRPSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343425703 367806397 /nfs/dbraw/zinc/80/63/97/367806397.db2.gz FBBUHQBDHPWUBA-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343473752 367835645 /nfs/dbraw/zinc/83/56/45/367835645.db2.gz LDCZBHIAQWMQFO-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO C[N@H+](CCCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174820992 368069310 /nfs/dbraw/zinc/06/93/10/368069310.db2.gz RWTGMKNVJDSDQB-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000345717820 368386297 /nfs/dbraw/zinc/38/62/97/368386297.db2.gz DOVNFQJOLFZDLK-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000182624508 368571772 /nfs/dbraw/zinc/57/17/72/368571772.db2.gz GBXLQFYEJIUTJI-NSHDSACASA-N 1 0 280.324 2.368 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000185167997 368758803 /nfs/dbraw/zinc/75/88/03/368758803.db2.gz FUARYOMJUBGPNS-ZIAGYGMSSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348177091 368934062 /nfs/dbraw/zinc/93/40/62/368934062.db2.gz HAYYWTJHLMTERE-QWHCGFSZSA-N 1 0 292.383 2.395 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000348545895 369081409 /nfs/dbraw/zinc/08/14/09/369081409.db2.gz LMHLCOLXCYLMRK-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO [NH3+]CCN(C/C=C/c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000348918012 369199344 /nfs/dbraw/zinc/19/93/44/369199344.db2.gz AWWSMMUHZAEDOX-ONEGZZNKSA-N 1 0 298.346 2.468 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000330851340 203313017 /nfs/dbraw/zinc/31/30/17/203313017.db2.gz QCGXUCLYMFAHLY-NSHDSACASA-N 1 0 264.329 2.116 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188850215 369419416 /nfs/dbraw/zinc/41/94/16/369419416.db2.gz SQDYMKBYJHFPAS-BXUZGUMPSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1C ZINC000350023576 369485638 /nfs/dbraw/zinc/48/56/38/369485638.db2.gz ZQKLTKIFOAKLPV-GFCCVEGCSA-N 1 0 263.341 2.039 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000189291227 369489630 /nfs/dbraw/zinc/48/96/30/369489630.db2.gz AUSUKQGCQDDFIA-GYSYKLTISA-N 1 0 264.325 2.406 20 5 CEBDRO COCC[N@H+](C)CCCNc1cccc(C)c1[N+](=O)[O-] ZINC000189430499 369516624 /nfs/dbraw/zinc/51/66/24/369516624.db2.gz NJUTXHZQTJRCFO-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCOC1 ZINC000276355355 193297279 /nfs/dbraw/zinc/29/72/79/193297279.db2.gz XICSWKKPMWNCSM-LLVKDONJSA-N 1 0 268.288 2.202 20 5 CEBDRO CCN(CCC[NH+](C)C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000190287831 369610448 /nfs/dbraw/zinc/61/04/48/369610448.db2.gz GNUAXHPMNPKCOC-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO C[C@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190663117 369643095 /nfs/dbraw/zinc/64/30/95/369643095.db2.gz ULDCPGVYTAXPKF-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352404382 369714362 /nfs/dbraw/zinc/71/43/62/369714362.db2.gz GMGZCDVQGFKGOQ-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)OC ZINC000191143017 369684087 /nfs/dbraw/zinc/68/40/87/369684087.db2.gz TZPNHGXNYLAOMX-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191306321 369700354 /nfs/dbraw/zinc/70/03/54/369700354.db2.gz TXLHGEQEGTXABB-ZDUSSCGKSA-N 1 0 291.351 2.362 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000191727854 369737475 /nfs/dbraw/zinc/73/74/75/369737475.db2.gz FINCGFZFOLSSKR-KOLCDFICSA-N 1 0 284.743 2.308 20 5 CEBDRO COC(=O)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000191790991 369743502 /nfs/dbraw/zinc/74/35/02/369743502.db2.gz VUVLDGYYZNBISE-KOLCDFICSA-N 1 0 298.364 2.287 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000192083331 369772290 /nfs/dbraw/zinc/77/22/90/369772290.db2.gz FKJVMJWMQYBGGM-GMTAPVOTSA-N 1 0 279.340 2.064 20 5 CEBDRO COc1cc(CN(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000352426851 369727128 /nfs/dbraw/zinc/72/71/28/369727128.db2.gz YYBIYHPRNHXRDN-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192477863 369818045 /nfs/dbraw/zinc/81/80/45/369818045.db2.gz PDAWNCRSHKYBMP-BDAKNGLRSA-N 1 0 270.358 2.336 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000352669028 369826592 /nfs/dbraw/zinc/82/65/92/369826592.db2.gz WSVGVSAENISKCP-DGCLKSJQSA-N 1 0 298.314 2.088 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192131106 369775385 /nfs/dbraw/zinc/77/53/85/369775385.db2.gz RSUBBNGWOYUKOS-GWCFXTLKSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000352697297 369842312 /nfs/dbraw/zinc/84/23/12/369842312.db2.gz KSQVBNSEOFZGQE-GFCCVEGCSA-N 1 0 277.368 2.429 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308250 369923134 /nfs/dbraw/zinc/92/31/34/369923134.db2.gz OVFSTVPARDNIEV-CQSZACIVSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000353059031 370003597 /nfs/dbraw/zinc/00/35/97/370003597.db2.gz FBGBEWKFUNHMAK-ZDUSSCGKSA-N 1 0 264.325 2.011 20 5 CEBDRO CCCC[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362154 370030731 /nfs/dbraw/zinc/03/07/31/370030731.db2.gz XHXQMMOOWAJTJF-CYBMUJFWSA-N 1 0 296.367 2.457 20 5 CEBDRO CSCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194692502 370066188 /nfs/dbraw/zinc/06/61/88/370066188.db2.gz MOTXCERVBJPXRR-UHFFFAOYSA-N 1 0 281.381 2.080 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000217371290 370195066 /nfs/dbraw/zinc/19/50/66/370195066.db2.gz HDKQKACQRJPHNZ-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@@H]([NH2+]CCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224009046 370274766 /nfs/dbraw/zinc/27/47/66/370274766.db2.gz BBWJUPULFJGRQC-LLVKDONJSA-N 1 0 252.314 2.408 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000227330735 370365976 /nfs/dbraw/zinc/36/59/76/370365976.db2.gz NBAJEZMLYDPVRO-YPMHNXCESA-N 1 0 276.340 2.337 20 5 CEBDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228051061 370394725 /nfs/dbraw/zinc/39/47/25/370394725.db2.gz OYWKWGORFDWLEX-UGFHNGPFSA-N 1 0 294.351 2.175 20 5 CEBDRO Cn1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354637528 370445491 /nfs/dbraw/zinc/44/54/91/370445491.db2.gz JGEIJNDJLSUVQS-XQRVVYSFSA-N 1 0 286.335 2.174 20 5 CEBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231383025 370479218 /nfs/dbraw/zinc/47/92/18/370479218.db2.gz YCJCZIAGTZUJGN-LBPRGKRZSA-N 1 0 296.367 2.492 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000232236170 370504128 /nfs/dbraw/zinc/50/41/28/370504128.db2.gz RTOGKRKUVCSFKR-LLVKDONJSA-N 1 0 297.742 2.120 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000236411429 370588182 /nfs/dbraw/zinc/58/81/82/370588182.db2.gz YSAOPYKDBMLUNA-GXTWGEPZSA-N 1 0 262.309 2.252 20 5 CEBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000248274488 371172727 /nfs/dbraw/zinc/17/27/27/371172727.db2.gz RJRPPOYIMZJQBA-OAHLLOKOSA-N 1 0 293.367 2.364 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358836716 371241901 /nfs/dbraw/zinc/24/19/01/371241901.db2.gz ZGMNSQCXAMHMPS-ZJUUUORDSA-N 1 0 298.314 2.411 20 5 CEBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+](C)C ZINC000358874005 371253830 /nfs/dbraw/zinc/25/38/30/371253830.db2.gz VOZBPIRSUCLPHP-GFCCVEGCSA-N 1 0 297.403 2.415 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000236867396 189848898 /nfs/dbraw/zinc/84/88/98/189848898.db2.gz XDBJJWVBHMZTTC-ZDUSSCGKSA-N 1 0 293.367 2.405 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252666664 371465298 /nfs/dbraw/zinc/46/52/98/371465298.db2.gz AAHDAGRXUSYFHI-QWRGUYRKSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252733311 371474073 /nfs/dbraw/zinc/47/40/73/371474073.db2.gz YUKUKGCSOGWEBT-ADWYPQAOSA-N 1 0 284.381 2.403 20 5 CEBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000360994625 371586458 /nfs/dbraw/zinc/58/64/58/371586458.db2.gz JYHRILCAIHYZLZ-UHFFFAOYSA-N 1 0 290.367 2.231 20 5 CEBDRO Cc1c(CN2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647536 371689347 /nfs/dbraw/zinc/68/93/47/371689347.db2.gz XRBISZYPFJJZFS-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353332339 220030555 /nfs/dbraw/zinc/03/05/55/220030555.db2.gz QDAPIOUNESBEBM-CQSZACIVSA-N 1 0 275.352 2.263 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000261910593 371768927 /nfs/dbraw/zinc/76/89/27/371768927.db2.gz ZQCWFEXUZMYEMB-QROSGCPLSA-N 1 0 288.307 2.299 20 5 CEBDRO COCCC[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000287328134 376208648 /nfs/dbraw/zinc/20/86/48/376208648.db2.gz OCRSWRJTPDTFCX-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000344116052 217056746 /nfs/dbraw/zinc/05/67/46/217056746.db2.gz AUORZXBMOURGBW-VXGBXAGGSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)OC ZINC000361566890 371929659 /nfs/dbraw/zinc/92/96/59/371929659.db2.gz USVMAJJNFFXMCQ-NSHDSACASA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000361652211 372003679 /nfs/dbraw/zinc/00/36/79/372003679.db2.gz FLAWMQLXUXXJQD-ONGXEEELSA-N 1 0 284.743 2.308 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965524 372147834 /nfs/dbraw/zinc/14/78/34/372147834.db2.gz GQEKQJLLQCKITO-KCJUWKMLSA-N 1 0 274.267 2.180 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000362027767 372178812 /nfs/dbraw/zinc/17/88/12/372178812.db2.gz OKTYNALTJHEVJA-HIFRSBDPSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000344371186 217172220 /nfs/dbraw/zinc/17/22/20/217172220.db2.gz BSBJSIZZHPNGND-NSHDSACASA-N 1 0 256.327 2.173 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000269680432 372530689 /nfs/dbraw/zinc/53/06/89/372530689.db2.gz YAPOJPSJMBWOTF-CQSZACIVSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270104926 372668142 /nfs/dbraw/zinc/66/81/42/372668142.db2.gz LRJVKJBYNQAVKX-HIFRSBDPSA-N 1 0 278.352 2.496 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000237839833 189891258 /nfs/dbraw/zinc/89/12/58/189891258.db2.gz FJYQJVQIMMLMER-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344573929 217236066 /nfs/dbraw/zinc/23/60/66/217236066.db2.gz DICSUEZLHLWQED-DGCLKSJQSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[N@H+](CCCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270756629 372937972 /nfs/dbraw/zinc/93/79/72/372937972.db2.gz WCEAQUROINCDOW-NSHDSACASA-N 1 0 252.314 2.360 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504171 284369678 /nfs/dbraw/zinc/36/96/78/284369678.db2.gz BGEIIVVTIJYKBB-QWRGUYRKSA-N 1 0 278.308 2.151 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCO ZINC000344783023 217310959 /nfs/dbraw/zinc/31/09/59/217310959.db2.gz IFSMFJLCJDYNMK-KGTBHZDVSA-N 1 0 264.325 2.359 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000270996142 373055204 /nfs/dbraw/zinc/05/52/04/373055204.db2.gz YMQHOSVVDQBSPE-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353586459 220173180 /nfs/dbraw/zinc/17/31/80/220173180.db2.gz AWBZUSCSGJDGSF-LBPRGKRZSA-N 1 0 263.341 2.039 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCCCC[C@H]32)n1 ZINC000369454108 373420084 /nfs/dbraw/zinc/42/00/84/373420084.db2.gz YAPASJIMRWHUTR-QWHCGFSZSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000272314824 373426355 /nfs/dbraw/zinc/42/63/55/373426355.db2.gz SGGGGBBBBXPGNZ-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131774925 220200697 /nfs/dbraw/zinc/20/06/97/220200697.db2.gz SNJIJLAUNMNMRK-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000370046311 373565256 /nfs/dbraw/zinc/56/52/56/373565256.db2.gz QTUYCZPBXSBOOU-LLVKDONJSA-N 1 0 264.329 2.093 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272664055 373606761 /nfs/dbraw/zinc/60/67/61/373606761.db2.gz RXIYMNBIAIEJCE-NHYWBVRUSA-N 1 0 293.342 2.260 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC1=CC[N@H+](C)CC1 ZINC000274032199 373788212 /nfs/dbraw/zinc/78/82/12/373788212.db2.gz XBGZDUFIBSHFCL-UHFFFAOYSA-N 1 0 291.351 2.415 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353679894 220249710 /nfs/dbraw/zinc/24/97/10/220249710.db2.gz HSLAGXMJHLURCV-OYROCLPXSA-N 1 0 287.363 2.292 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276836852 374320219 /nfs/dbraw/zinc/32/02/19/374320219.db2.gz BWBHWCXSVHWIIS-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854728 374325318 /nfs/dbraw/zinc/32/53/18/374325318.db2.gz FGJVAUDXQXBKCV-JSGCOSHPSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964003 374361629 /nfs/dbraw/zinc/36/16/29/374361629.db2.gz VVLZTNPWQGWLBZ-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000276924682 374348133 /nfs/dbraw/zinc/34/81/33/374348133.db2.gz LNKOCJGMJDSPDD-UHFFFAOYSA-N 1 0 252.314 2.357 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000373985393 374462446 /nfs/dbraw/zinc/46/24/46/374462446.db2.gz XLTPTVSUTWEMBX-UKRRQHHQSA-N 1 0 292.335 2.261 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279094611 374842145 /nfs/dbraw/zinc/84/21/45/374842145.db2.gz NSFZGGHKQRSKGH-CYBMUJFWSA-N 1 0 264.325 2.289 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408084668 375404302 /nfs/dbraw/zinc/40/43/02/375404302.db2.gz SDYPZZCJACRNAD-QWRGUYRKSA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408084666 375404953 /nfs/dbraw/zinc/40/49/53/375404953.db2.gz SDYPZZCJACRNAD-GHMZBOCLSA-N 1 0 292.339 2.151 20 5 CEBDRO C[NH+](C)[C@@]1(CNc2cc(N)ccc2[N+](=O)[O-])CCSC1 ZINC000282171891 375420841 /nfs/dbraw/zinc/42/08/41/375420841.db2.gz IENXKLMDOPAZRH-CYBMUJFWSA-N 1 0 296.396 2.026 20 5 CEBDRO COCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282419775 375480527 /nfs/dbraw/zinc/48/05/27/375480527.db2.gz JGUDRULTPGOCIK-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000282609061 375529281 /nfs/dbraw/zinc/52/92/81/375529281.db2.gz YQODGMBOQIEKIA-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414537424 375840880 /nfs/dbraw/zinc/84/08/80/375840880.db2.gz YZCWDIAURMFAKF-KGLIPLIRSA-N 1 0 266.341 2.480 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414662998 375905725 /nfs/dbraw/zinc/90/57/25/375905725.db2.gz RUCVRHKCDGVYGH-GHMZBOCLSA-N 1 0 292.339 2.295 20 5 CEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286461266 375960490 /nfs/dbraw/zinc/96/04/90/375960490.db2.gz KIRSVOAOPOMNLG-YOPIWALVSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1c(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414693796 375922560 /nfs/dbraw/zinc/92/25/60/375922560.db2.gz FISUGGUIXJGRAR-ZDUSSCGKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1c(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414715262 375936533 /nfs/dbraw/zinc/93/65/33/375936533.db2.gz WFXPRDCSRYTIFN-ZJUUUORDSA-N 1 0 292.339 2.117 20 5 CEBDRO CCCC[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414807320 375993952 /nfs/dbraw/zinc/99/39/52/375993952.db2.gz CPBQEQMJPDHOTP-LLVKDONJSA-N 1 0 269.320 2.341 20 5 CEBDRO CCCC[C@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414807839 375994028 /nfs/dbraw/zinc/99/40/28/375994028.db2.gz DHNVRMSFCIXJRV-GFCCVEGCSA-N 1 0 251.330 2.202 20 5 CEBDRO C[C@H](CN)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938611 376013182 /nfs/dbraw/zinc/01/31/82/376013182.db2.gz YZOYHZFTDLFZRD-MBNYWOFBSA-N 1 0 277.368 2.243 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000261748698 190043451 /nfs/dbraw/zinc/04/34/51/190043451.db2.gz SYEJBHZOBHUZMO-NURSFMCSSA-N 1 0 291.351 2.020 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000305753263 376473538 /nfs/dbraw/zinc/47/35/38/376473538.db2.gz ULRZNTDXXLTESV-ZDUSSCGKSA-N 1 0 282.315 2.469 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953458 376524537 /nfs/dbraw/zinc/52/45/37/376524537.db2.gz BKQABLYYDRUXAT-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO COc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000305863225 376523209 /nfs/dbraw/zinc/52/32/09/376523209.db2.gz YVEHXEYKNHRPTF-NSHDSACASA-N 1 0 282.340 2.195 20 5 CEBDRO Cc1cc(NCCOCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000313077072 376737260 /nfs/dbraw/zinc/73/72/60/376737260.db2.gz KWZKARJDQOAFAD-UHFFFAOYSA-N 1 0 285.319 2.032 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000320587560 376825029 /nfs/dbraw/zinc/82/50/29/376825029.db2.gz VDQGFXZBWUFLFK-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290831881 376945125 /nfs/dbraw/zinc/94/51/25/376945125.db2.gz URXBELLAUQPDTA-GXSJLCMTSA-N 1 0 276.340 2.214 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269700 377189833 /nfs/dbraw/zinc/18/98/33/377189833.db2.gz FTNILFLBFWISRW-GWCFXTLKSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232837 377151447 /nfs/dbraw/zinc/15/14/47/377151447.db2.gz ITHZGDDTBBZLLV-DGCLKSJQSA-N 1 0 263.341 2.306 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423246668 377166545 /nfs/dbraw/zinc/16/65/45/377166545.db2.gz ZRFDNONGMSMHKG-HUUCEWRRSA-N 1 0 289.379 2.258 20 5 CEBDRO COc1cccc(NC[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291770110 377209893 /nfs/dbraw/zinc/20/98/93/377209893.db2.gz HHBZBRMSFPOECE-JTQLQIEISA-N 1 0 267.329 2.213 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC000563415746 377216689 /nfs/dbraw/zinc/21/66/89/377216689.db2.gz FSRNPUDSUQONJD-IPYPFGDCSA-N 1 0 276.336 2.475 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000292960801 377371804 /nfs/dbraw/zinc/37/18/04/377371804.db2.gz JLUNHQVYQYCEOS-CQSZACIVSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000293013013 377394354 /nfs/dbraw/zinc/39/43/54/377394354.db2.gz ODVRZEXEAOOEMN-CYBMUJFWSA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000293056822 377410128 /nfs/dbraw/zinc/41/01/28/377410128.db2.gz RZQXVOCDUXKTPP-FZMZJTMJSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000220547605 249342522 /nfs/dbraw/zinc/34/25/22/249342522.db2.gz LLQRPZLFOCTBFF-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccc(C[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000283827719 249359294 /nfs/dbraw/zinc/35/92/94/249359294.db2.gz DUYWPXDJECIAOQ-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313425757 249394734 /nfs/dbraw/zinc/39/47/34/249394734.db2.gz FQENLWKNTZGFCV-LJTDUEICSA-N 1 0 291.351 2.098 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000313097400 249382215 /nfs/dbraw/zinc/38/22/15/249382215.db2.gz DUJBIKWSCGZEGZ-WCQYABFASA-N 1 0 252.314 2.234 20 5 CEBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295455704 378165460 /nfs/dbraw/zinc/16/54/60/378165460.db2.gz PTSGTJRVFZGEIN-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295644506 378249032 /nfs/dbraw/zinc/24/90/32/378249032.db2.gz FGIMXWMFSZLZPB-UHFFFAOYSA-N 1 0 293.371 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+]3CCC2CC3)c1 ZINC000450476455 378439024 /nfs/dbraw/zinc/43/90/24/378439024.db2.gz PUFNFDIPOMURQO-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296597337 378586914 /nfs/dbraw/zinc/58/69/14/378586914.db2.gz YFBDAVYCBLMVNH-QWRGUYRKSA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000278492142 194009445 /nfs/dbraw/zinc/00/94/45/194009445.db2.gz LMJZJTGHVUSCBB-ZDUSSCGKSA-N 1 0 262.309 2.420 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257388 378843915 /nfs/dbraw/zinc/84/39/15/378843915.db2.gz NCGUGEZIKXUHSA-BXUZGUMPSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248703 378838633 /nfs/dbraw/zinc/83/86/33/378838633.db2.gz RHIYXUYPQICIAN-AAEUAGOBSA-N 1 0 289.339 2.316 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH2+]C ZINC000347012390 218090783 /nfs/dbraw/zinc/09/07/83/218090783.db2.gz HMXNFBWFQMAFPJ-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[C@@H](C)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000453586967 378915097 /nfs/dbraw/zinc/91/50/97/378915097.db2.gz SLUYVPBYUVFHLC-MRVPVSSYSA-N 1 0 254.286 2.197 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030746 218098969 /nfs/dbraw/zinc/09/89/69/218098969.db2.gz XVAABFPCLPLQLM-CQSZACIVSA-N 1 0 277.368 2.335 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347109226 218124201 /nfs/dbraw/zinc/12/42/01/218124201.db2.gz MTXNVSSIAGEIKG-IAQYHMDHSA-N 1 0 277.368 2.462 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000278693960 194107038 /nfs/dbraw/zinc/10/70/38/194107038.db2.gz JJIVEEXJDOFOMC-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301376161 379271042 /nfs/dbraw/zinc/27/10/42/379271042.db2.gz XPBCQBANXRHFGJ-SNVBAGLBSA-N 1 0 266.345 2.378 20 5 CEBDRO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562324 379393523 /nfs/dbraw/zinc/39/35/23/379393523.db2.gz GEJKZWTXOANWHT-SMDDNHRTSA-N 1 0 275.352 2.266 20 5 CEBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267101069 190303357 /nfs/dbraw/zinc/30/33/57/190303357.db2.gz OZDGZUZXTUYTDH-CYBMUJFWSA-N 1 0 281.381 2.444 20 5 CEBDRO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267743676 190351721 /nfs/dbraw/zinc/35/17/21/190351721.db2.gz COVMVLAAMIXJHB-TXEJJXNPSA-N 1 0 291.351 2.145 20 5 CEBDRO C[NH+](C)CCN(Cc1ccco1)c1ncccc1[N+](=O)[O-] ZINC000268366840 190397984 /nfs/dbraw/zinc/39/79/84/190397984.db2.gz XWSYMABKRQBIIO-UHFFFAOYSA-N 1 0 290.323 2.151 20 5 CEBDRO C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C[NH+](C)C ZINC000489006577 380153595 /nfs/dbraw/zinc/15/35/95/380153595.db2.gz DUWYSGBTJIZTEA-LLVKDONJSA-N 1 0 288.351 2.175 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000279051521 194265138 /nfs/dbraw/zinc/26/51/38/194265138.db2.gz MHTYKCARGMTQBI-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO Cn1cc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000546703473 380412855 /nfs/dbraw/zinc/41/28/55/380412855.db2.gz UESFDWBXVBXKEP-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO CC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000555779149 380847554 /nfs/dbraw/zinc/84/75/54/380847554.db2.gz PXISLILWEZLHPU-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000111626954 285115181 /nfs/dbraw/zinc/11/51/81/285115181.db2.gz NIASLHFPUXKKDJ-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000373039980 285125552 /nfs/dbraw/zinc/12/55/52/285125552.db2.gz OKADWOLJYOSPFG-AWEZNQCLSA-N 1 0 293.392 2.222 20 5 CEBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000350511763 219031855 /nfs/dbraw/zinc/03/18/55/219031855.db2.gz HERRCFKNRZHIQR-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000281933168 285177000 /nfs/dbraw/zinc/17/70/00/285177000.db2.gz OXUAEBKRQGSKIQ-JTQLQIEISA-N 1 0 282.369 2.116 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000093633663 184700092 /nfs/dbraw/zinc/70/00/92/184700092.db2.gz IAQVMBVUERXROF-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000093983426 184747801 /nfs/dbraw/zinc/74/78/01/184747801.db2.gz HPNMGTXKCKCCBV-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414480900 533303752 /nfs/dbraw/zinc/30/37/52/533303752.db2.gz KPGYNDKWTUJHES-NSHDSACASA-N 1 0 282.340 2.366 20 5 CEBDRO COC(=O)CCC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000357760380 533343199 /nfs/dbraw/zinc/34/31/99/533343199.db2.gz WRLNYRMUDSQVRM-UHFFFAOYSA-N 1 0 286.353 2.478 20 5 CEBDRO CN(C)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020125959 394471312 /nfs/dbraw/zinc/47/13/12/394471312.db2.gz LQCJGTPGYKCQRZ-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413092701 394482386 /nfs/dbraw/zinc/48/23/86/394482386.db2.gz MULQBXGELNALCX-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228660 394503278 /nfs/dbraw/zinc/50/32/78/394503278.db2.gz QFDAKJGXFWBRSI-GHMZBOCLSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421706181 394571188 /nfs/dbraw/zinc/57/11/88/394571188.db2.gz UEDDJYASXXYGFV-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413292306 394519644 /nfs/dbraw/zinc/51/96/44/394519644.db2.gz AFSORORMQIPVBO-SECBINFHSA-N 1 0 270.308 2.270 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413441597 394553139 /nfs/dbraw/zinc/55/31/39/394553139.db2.gz PXGPITKQGSYOLK-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051555029 394556275 /nfs/dbraw/zinc/55/62/75/394556275.db2.gz KKUUTSIYIMMJNY-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522821 394655184 /nfs/dbraw/zinc/65/51/84/394655184.db2.gz OUJXCCUMLYDSNS-ZDUSSCGKSA-N 1 0 293.367 2.267 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000267289219 394675658 /nfs/dbraw/zinc/67/56/58/394675658.db2.gz QYIVYGJCVHFQQI-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000422554842 394709017 /nfs/dbraw/zinc/70/90/17/394709017.db2.gz YQNQYDRPTVPIFM-SNVBAGLBSA-N 1 0 290.323 2.412 20 5 CEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000272749419 394775704 /nfs/dbraw/zinc/77/57/04/394775704.db2.gz DTFZAEKWKBGOOQ-SNVBAGLBSA-N 1 0 262.313 2.052 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422816446 394807692 /nfs/dbraw/zinc/80/76/92/394807692.db2.gz FGBIZCYGUQUSHP-UHFFFAOYSA-N 1 0 293.367 2.079 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422817407 394808236 /nfs/dbraw/zinc/80/82/36/394808236.db2.gz HOIINXGBHMHSAU-RYUDHWBXSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[NH2+][C@H](C)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414938787 394812768 /nfs/dbraw/zinc/81/27/68/394812768.db2.gz DMTANYMOWDXLNV-XYLWRLHESA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414942918 394814316 /nfs/dbraw/zinc/81/43/16/394814316.db2.gz DTCYYZWANRUACU-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000276829679 394815595 /nfs/dbraw/zinc/81/55/95/394815595.db2.gz WJQHOJJZAJVCBB-UTUOFQBUSA-N 1 0 264.325 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362364545 394856285 /nfs/dbraw/zinc/85/62/85/394856285.db2.gz IOISQKKAIHBRLU-CMPLNLGQSA-N 1 0 277.324 2.039 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364299481 394892938 /nfs/dbraw/zinc/89/29/38/394892938.db2.gz DINYQICAKGMNDA-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355008 394899249 /nfs/dbraw/zinc/89/92/49/394899249.db2.gz DQSZMTGGDZHEJM-SUNKGSAMSA-N 1 0 263.341 2.243 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423394457 394913494 /nfs/dbraw/zinc/91/34/94/394913494.db2.gz ZSEZQUPHFUSWGM-MNOVXSKESA-N 1 0 251.330 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH2+]CC1 ZINC000415292723 394919341 /nfs/dbraw/zinc/91/93/41/394919341.db2.gz HYCAMQLTFNFKAY-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415482524 394936626 /nfs/dbraw/zinc/93/66/26/394936626.db2.gz KQBZJZOAMSFULS-UHFFFAOYSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415509479 394939980 /nfs/dbraw/zinc/93/99/80/394939980.db2.gz WNSIPIJHGOIMAQ-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285982156 394994688 /nfs/dbraw/zinc/99/46/88/394994688.db2.gz MERWFSLYGFCERG-UHFFFAOYSA-N 1 0 299.321 2.401 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153384183 395006138 /nfs/dbraw/zinc/00/61/38/395006138.db2.gz MTMXDLZVJRDHMC-AWEZNQCLSA-N 1 0 262.309 2.207 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618292 395023302 /nfs/dbraw/zinc/02/33/02/395023302.db2.gz XWCJNPZOJKGKBK-SMDDNHRTSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286504326 395023416 /nfs/dbraw/zinc/02/34/16/395023416.db2.gz YLTYDENLAFAHSQ-GXTWGEPZSA-N 1 0 290.367 2.361 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH3+] ZINC000415764532 394961639 /nfs/dbraw/zinc/96/16/39/394961639.db2.gz PTEXDLASWCJKNL-UHFFFAOYSA-N 1 0 280.328 2.018 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423688830 394966354 /nfs/dbraw/zinc/96/63/54/394966354.db2.gz XVBNBQXGSXECHA-LLVKDONJSA-N 1 0 279.340 2.185 20 5 CEBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343317133 395037593 /nfs/dbraw/zinc/03/75/93/395037593.db2.gz CHFMMAUMPMQMHN-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000347246542 395121114 /nfs/dbraw/zinc/12/11/14/395121114.db2.gz JVINELRIWKUAFX-LLVKDONJSA-N 1 0 293.367 2.363 20 5 CEBDRO Cn1ccnc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291693880 395156348 /nfs/dbraw/zinc/15/63/48/395156348.db2.gz JJPVJLWQJAJEBL-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351929092 395240904 /nfs/dbraw/zinc/24/09/04/395240904.db2.gz XEQNQIWSLNUGHY-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C)C1 ZINC000183247405 395254217 /nfs/dbraw/zinc/25/42/17/395254217.db2.gz QMBRIDVWZAYFTP-NSHDSACASA-N 1 0 250.298 2.124 20 5 CEBDRO COc1ccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399549329 395246996 /nfs/dbraw/zinc/24/69/96/395246996.db2.gz CMGOPISANHYMAX-NOZJJQNGSA-N 1 0 295.339 2.161 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000437851526 395200374 /nfs/dbraw/zinc/20/03/74/395200374.db2.gz SQOKDJWNVAGKAP-AWEZNQCLSA-N 1 0 286.335 2.108 20 5 CEBDRO C[C@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000394967606 395212018 /nfs/dbraw/zinc/21/20/18/395212018.db2.gz ANAKLKUKBWQGPF-SNVBAGLBSA-N 1 0 270.304 2.232 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000420288596 395297041 /nfs/dbraw/zinc/29/70/41/395297041.db2.gz JIXQIRYWNINFFN-NWDGAFQWSA-N 1 0 263.341 2.258 20 5 CEBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058864 395258444 /nfs/dbraw/zinc/25/84/44/395258444.db2.gz KWPRTJKHNJBRJG-YPMHNXCESA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000298987100 395366924 /nfs/dbraw/zinc/36/69/24/395366924.db2.gz RIFRVKYNGDXQQH-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000420628125 395391768 /nfs/dbraw/zinc/39/17/68/395391768.db2.gz APDLLNQKOBLWJG-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327698 395329561 /nfs/dbraw/zinc/32/95/61/395329561.db2.gz DOUUTLKYGURQOQ-OLZOCXBDSA-N 1 0 293.367 2.033 20 5 CEBDRO CSc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000567926293 395542853 /nfs/dbraw/zinc/54/28/53/395542853.db2.gz FXTJLEHDHGRVPG-IUCAKERBSA-N 1 0 297.380 2.172 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451262254 395600659 /nfs/dbraw/zinc/60/06/59/395600659.db2.gz XCHUFIXYGRUEGN-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(=O)NCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573365472 395606843 /nfs/dbraw/zinc/60/68/43/395606843.db2.gz YBIJWCQYNMLIHP-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000449521486 395552787 /nfs/dbraw/zinc/55/27/87/395552787.db2.gz IDJIJFYQXPJVQB-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000449580133 395555560 /nfs/dbraw/zinc/55/55/60/395555560.db2.gz NHAFUTCPJBMJGP-GFCCVEGCSA-N 1 0 278.352 2.278 20 5 CEBDRO CN(C(=O)C[N@H+](C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000573962469 395622939 /nfs/dbraw/zinc/62/29/39/395622939.db2.gz GLTADKJLACTOHN-UHFFFAOYSA-N 1 0 279.340 2.288 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063193750 400242479 /nfs/dbraw/zinc/24/24/79/400242479.db2.gz OEVDDXXRXSXJRC-GXFFZTMASA-N 1 0 292.339 2.328 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OCC1CC[NH2+]CC1 ZINC000310776702 289279399 /nfs/dbraw/zinc/27/93/99/289279399.db2.gz VWWXGUARKCNGGV-UHFFFAOYSA-N 1 0 271.704 2.022 20 5 CEBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000221345611 153313230 /nfs/dbraw/zinc/31/32/30/153313230.db2.gz FYOVKMXAOHMGJU-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230155396 153386674 /nfs/dbraw/zinc/38/66/74/153386674.db2.gz HGVRSEHTKOCQJY-LDYMZIIASA-N 1 0 256.327 2.313 20 5 CEBDRO CC(C)COCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000367249709 156155636 /nfs/dbraw/zinc/15/56/36/156155636.db2.gz APHASPQWIOQWJJ-UHFFFAOYSA-N 1 0 296.371 2.101 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000168698221 162369734 /nfs/dbraw/zinc/36/97/34/162369734.db2.gz REABOBSADOCRPE-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000262115751 162551968 /nfs/dbraw/zinc/55/19/68/162551968.db2.gz WWQBTCATCKWUPJ-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000377391004 162690834 /nfs/dbraw/zinc/69/08/34/162690834.db2.gz KZUZLVJIZBOWTM-LSDHHAIUSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000170741360 165040351 /nfs/dbraw/zinc/04/03/51/165040351.db2.gz FFACTZUKVGNNEK-INIZCTEOSA-N 1 0 289.379 2.307 20 5 CEBDRO CCCO[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853467 165118750 /nfs/dbraw/zinc/11/87/50/165118750.db2.gz QVTCQLCGBLKSAX-AWEZNQCLSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411938988 287152635 /nfs/dbraw/zinc/15/26/35/287152635.db2.gz NCQPMNKIMBIILY-RYUDHWBXSA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601471 172290115 /nfs/dbraw/zinc/29/01/15/172290115.db2.gz WMLAQAPLLCPWDD-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285283947 196240205 /nfs/dbraw/zinc/24/02/05/196240205.db2.gz ZKNOIGJPFFMGHT-GFCCVEGCSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391545 196270449 /nfs/dbraw/zinc/27/04/49/196270449.db2.gz WSYKPOHBGHNLIG-LLVKDONJSA-N 1 0 292.383 2.312 20 5 CEBDRO C[C@@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176982 173010350 /nfs/dbraw/zinc/01/03/50/173010350.db2.gz HYDHHTIGOYEVMF-LLVKDONJSA-N 1 0 251.330 2.197 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040411600 174254495 /nfs/dbraw/zinc/25/44/95/174254495.db2.gz AJGSCKXWXQUZLR-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591669 174346925 /nfs/dbraw/zinc/34/69/25/174346925.db2.gz HNAUWSCRGHVBMD-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000040593416 174347583 /nfs/dbraw/zinc/34/75/83/174347583.db2.gz GXWHWNCRJKJCOB-JTQLQIEISA-N 1 0 269.370 2.088 20 5 CEBDRO CCOCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000046037252 175390150 /nfs/dbraw/zinc/39/01/50/175390150.db2.gz MAYSYELUPIKLKH-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000046467742 175396921 /nfs/dbraw/zinc/39/69/21/175396921.db2.gz QTIAVBDXFDRIDZ-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000070496170 175957154 /nfs/dbraw/zinc/95/71/54/175957154.db2.gz HQBSLVSCNIRTDS-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000071304834 176115058 /nfs/dbraw/zinc/11/50/58/176115058.db2.gz WFHLKEWNJLGTTM-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000072013524 176308938 /nfs/dbraw/zinc/30/89/38/176308938.db2.gz QRVOBZAHPYKEFU-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447604225 260077987 /nfs/dbraw/zinc/07/79/87/260077987.db2.gz ZIIILJHLPZVOJH-ZDEQEGDKSA-N 1 0 296.371 2.024 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449140471 260248638 /nfs/dbraw/zinc/24/86/38/260248638.db2.gz CAJONOUSFKEBED-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518795886 262342296 /nfs/dbraw/zinc/34/22/96/262342296.db2.gz IHNVIPNCGALOTK-CYBMUJFWSA-N 1 0 291.351 2.088 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488785970 262394289 /nfs/dbraw/zinc/39/42/89/262394289.db2.gz PMQNPVKCQGUEOZ-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425354025 264072396 /nfs/dbraw/zinc/07/23/96/264072396.db2.gz JYVPHNZHBJYUKI-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425454751 264328972 /nfs/dbraw/zinc/32/89/72/264328972.db2.gz FKRHLWPMMLOSPF-OAHLLOKOSA-N 1 0 278.352 2.494 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000150249746 270236410 /nfs/dbraw/zinc/23/64/10/270236410.db2.gz QIIIZJJMHZVKIQ-LBPRGKRZSA-N 1 0 279.340 2.151 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000192935525 270281695 /nfs/dbraw/zinc/28/16/95/270281695.db2.gz TWJSXZLNLZRRDY-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOC(F)F)c1 ZINC000193663113 270287748 /nfs/dbraw/zinc/28/77/48/270287748.db2.gz RGKJVVPNOYCFPI-UHFFFAOYSA-N 1 0 260.240 2.314 20 5 CEBDRO Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193950521 270290933 /nfs/dbraw/zinc/29/09/33/270290933.db2.gz ZKSMOKSWSBLZDM-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268884626 270330813 /nfs/dbraw/zinc/33/08/13/270330813.db2.gz WXEUTCYIVHIAON-GXTWGEPZSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000395157349 270345098 /nfs/dbraw/zinc/34/50/98/270345098.db2.gz CJGGVNGGPSVOQJ-JSGCOSHPSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423647047 270929601 /nfs/dbraw/zinc/92/96/01/270929601.db2.gz MSDMHTJGACMOOF-RYUDHWBXSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC12CC2 ZINC000424332962 271047367 /nfs/dbraw/zinc/04/73/67/271047367.db2.gz XFBKQJBQPJOQIE-MFKMUULPSA-N 1 0 289.335 2.454 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430226578 271364605 /nfs/dbraw/zinc/36/46/05/271364605.db2.gz NGZVDGUOZZLLHA-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430607965 271399201 /nfs/dbraw/zinc/39/92/01/271399201.db2.gz BWMGHOLHTWIWTP-STQMWFEESA-N 1 0 293.367 2.175 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000438336592 271724618 /nfs/dbraw/zinc/72/46/18/271724618.db2.gz AYAKWZPUDOOKSA-XQRVVYSFSA-N 1 0 276.336 2.312 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692265 273638229 /nfs/dbraw/zinc/63/82/29/273638229.db2.gz WIGQPZDQCFWUIV-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000119286704 287790611 /nfs/dbraw/zinc/79/06/11/287790611.db2.gz DMJAETCUVMWORF-BZPMIXESSA-N 1 0 293.367 2.171 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000291707388 275041768 /nfs/dbraw/zinc/04/17/68/275041768.db2.gz VEEFXWVUZNUHSN-LBPRGKRZSA-N 1 0 298.346 2.427 20 5 CEBDRO CC(C)c1ccc(CN2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000346662287 275739734 /nfs/dbraw/zinc/73/97/34/275739734.db2.gz WOTBQLPARQWISA-LBPRGKRZSA-N 1 0 263.341 2.251 20 5 CEBDRO CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212811062 275850326 /nfs/dbraw/zinc/85/03/26/275850326.db2.gz KTNAPXGXIYPVKS-UHFFFAOYSA-N 1 0 269.732 2.436 20 5 CEBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292824255 277087038 /nfs/dbraw/zinc/08/70/38/277087038.db2.gz PFPDFVGBNDRYHZ-HNNXBMFYSA-N 1 0 290.367 2.099 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557393 277145867 /nfs/dbraw/zinc/14/58/67/277145867.db2.gz DPQNBAGYJOIHLB-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000160313613 277266489 /nfs/dbraw/zinc/26/64/89/277266489.db2.gz UGVXBUSSQPYVKD-LLVKDONJSA-N 1 0 291.351 2.066 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123602036 277279021 /nfs/dbraw/zinc/27/90/21/277279021.db2.gz CEEWKMMVMLWJFO-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000337702080 278037759 /nfs/dbraw/zinc/03/77/59/278037759.db2.gz GBCFIWBGUICHSN-ZDUSSCGKSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282626 278083308 /nfs/dbraw/zinc/08/33/08/278083308.db2.gz FCLWGERFRGXYSS-NEPJUHHUSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415689010 278249930 /nfs/dbraw/zinc/24/99/30/278249930.db2.gz JCEJGNYWLCQWPS-VIFPVBQESA-N 1 0 294.355 2.361 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056197199 278361475 /nfs/dbraw/zinc/36/14/75/278361475.db2.gz VDPBKCSTQLPPNL-NEPJUHHUSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]([NH2+]CCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000049075176 279473117 /nfs/dbraw/zinc/47/31/17/279473117.db2.gz SVONXLQDCAEXNZ-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000400401833 279496537 /nfs/dbraw/zinc/49/65/37/279496537.db2.gz KWSMXZFTVSEVRA-MJVIPROJSA-N 1 0 263.341 2.386 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726945 279723557 /nfs/dbraw/zinc/72/35/57/279723557.db2.gz NOVHNFSZVSNOCQ-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO COC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000135229989 280039779 /nfs/dbraw/zinc/03/97/79/280039779.db2.gz QSKCKAXDXKTZLH-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000150244313 280079964 /nfs/dbraw/zinc/07/99/64/280079964.db2.gz BVRLJRBFOSDUKR-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](C)CC2)n1 ZINC000359100171 280399870 /nfs/dbraw/zinc/39/98/70/280399870.db2.gz CKXLDYSBRKEYNG-UHFFFAOYSA-N 1 0 264.329 2.113 20 5 CEBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000397905228 280687477 /nfs/dbraw/zinc/68/74/77/280687477.db2.gz VOLHEPBQHLBFRW-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000420622975 280814441 /nfs/dbraw/zinc/81/44/41/280814441.db2.gz GUDMNXQHIKWHON-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000157293188 281010590 /nfs/dbraw/zinc/01/05/90/281010590.db2.gz QXESRUVAOYVJLG-UHFFFAOYSA-N 1 0 276.340 2.019 20 5 CEBDRO COC[C@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438449 281042277 /nfs/dbraw/zinc/04/22/77/281042277.db2.gz UVQIMNQNGMDBLE-IUODEOHRSA-N 1 0 293.367 2.014 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464568 281048058 /nfs/dbraw/zinc/04/80/58/281048058.db2.gz BNRQJBSSFMPAPD-CABZTGNLSA-N 1 0 285.294 2.243 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530421 281063631 /nfs/dbraw/zinc/06/36/31/281063631.db2.gz WRLQNCDUZGHOJK-LSDHHAIUSA-N 1 0 293.367 2.014 20 5 CEBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463899 281194321 /nfs/dbraw/zinc/19/43/21/281194321.db2.gz VIZZXLHCRBTADT-WCQYABFASA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455983 281237999 /nfs/dbraw/zinc/23/79/99/281237999.db2.gz SOFAUCDPWXXVEG-WPRPVWTQSA-N 1 0 274.267 2.262 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462439 281239101 /nfs/dbraw/zinc/23/91/01/281239101.db2.gz BGRHWAZNKFLRSZ-SCZZXKLOSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447903138 281888017 /nfs/dbraw/zinc/88/80/17/281888017.db2.gz GRWUVMZTXWYNKV-CQDKDKBSSA-N 1 0 294.351 2.094 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826437 289068081 /nfs/dbraw/zinc/06/80/81/289068081.db2.gz NDOXSRCMAXNMSL-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963600 290007951 /nfs/dbraw/zinc/00/79/51/290007951.db2.gz JUYDPKFPMAIZOC-WDEREUQCSA-N 1 0 250.298 2.424 20 5 CEBDRO C[NH+]1CCC(CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000487561185 290352955 /nfs/dbraw/zinc/35/29/55/290352955.db2.gz RJROKIRAXOZNQB-UHFFFAOYSA-N 1 0 295.314 2.404 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC1 ZINC000539048754 298243564 /nfs/dbraw/zinc/24/35/64/298243564.db2.gz CVOZCIALDOXOKD-GFCCVEGCSA-N 1 0 263.341 2.260 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789483 298711345 /nfs/dbraw/zinc/71/13/45/298711345.db2.gz CWMUURJYPYLDSB-NEPJUHHUSA-N 1 0 291.351 2.175 20 5 CEBDRO C[NH2+]CCSCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000566182447 298953183 /nfs/dbraw/zinc/95/31/83/298953183.db2.gz FDVLYFPZZGEMLV-UHFFFAOYSA-N 1 0 294.336 2.097 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000566305290 298965668 /nfs/dbraw/zinc/96/56/68/298965668.db2.gz WMCOEHJJLGVNLO-RISCZKNCSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](NC2C[NH2+]C2)c2ccccc2)c1 ZINC000566731977 299017950 /nfs/dbraw/zinc/01/79/50/299017950.db2.gz OPDNMHOAFRXNII-INIZCTEOSA-N 1 0 283.331 2.246 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294916839 302350561 /nfs/dbraw/zinc/35/05/61/302350561.db2.gz JNMNHOMWWXFGJE-GFCCVEGCSA-N 1 0 290.367 2.219 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044541746 303419400 /nfs/dbraw/zinc/41/94/00/303419400.db2.gz TVECKHITIJJKPD-SNVBAGLBSA-N 1 0 297.742 2.202 20 5 CEBDRO COCCN(Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505824038 313043298 /nfs/dbraw/zinc/04/32/98/313043298.db2.gz CIUORBYILGWUFM-UHFFFAOYSA-N 1 0 268.288 2.345 20 5 CEBDRO CNC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000515308552 313068190 /nfs/dbraw/zinc/06/81/90/313068190.db2.gz PNXBMCXPXHRGSW-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000515652755 313075542 /nfs/dbraw/zinc/07/55/42/313075542.db2.gz QGMFOJFVNDSHIA-IUCAKERBSA-N 1 0 297.380 2.172 20 5 CEBDRO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000577085968 314340916 /nfs/dbraw/zinc/34/09/16/314340916.db2.gz ZDUIMKGWKCMSKZ-TXEJJXNPSA-N 1 0 261.325 2.234 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000577486566 314382347 /nfs/dbraw/zinc/38/23/47/314382347.db2.gz HJYWHGZTQJGJDQ-MNOVXSKESA-N 1 0 290.367 2.126 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000584341556 328128234 /nfs/dbraw/zinc/12/82/34/328128234.db2.gz XYLORBKYOTZYEV-HNNXBMFYSA-N 1 0 275.352 2.483 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000382410168 321839307 /nfs/dbraw/zinc/83/93/07/321839307.db2.gz DGTDOMQTSDSYLZ-SFYZADRCSA-N 1 0 293.352 2.281 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000583368295 322541971 /nfs/dbraw/zinc/54/19/71/322541971.db2.gz HJQLJKVKMCCQIV-NSHDSACASA-N 1 0 294.330 2.051 20 5 CEBDRO COC[C@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726544 522578223 /nfs/dbraw/zinc/57/82/23/522578223.db2.gz HHLWVAOWOYJCTK-LLVKDONJSA-N 1 0 252.314 2.009 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415293972 534324142 /nfs/dbraw/zinc/32/41/42/534324142.db2.gz JXNKAQYTIYURLU-JTQLQIEISA-N 1 0 294.355 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000414666982 534342015 /nfs/dbraw/zinc/34/20/15/534342015.db2.gz XFOCNJKIXJLXQU-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000069093206 521484143 /nfs/dbraw/zinc/48/41/43/521484143.db2.gz UAGJUTJAIAAFTO-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418141683 534887028 /nfs/dbraw/zinc/88/70/28/534887028.db2.gz XEAMOXSOPVAXMM-NSHDSACASA-N 1 0 285.294 2.024 20 5 CEBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000068192579 526218819 /nfs/dbraw/zinc/21/88/19/526218819.db2.gz CKTZEDUPUMLOFZ-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636175 527012807 /nfs/dbraw/zinc/01/28/07/527012807.db2.gz WYLXQHYUCHPPBR-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)nc2sccn21 ZINC000048065696 527322237 /nfs/dbraw/zinc/32/22/37/527322237.db2.gz QXRNEHKNOCMPHO-UHFFFAOYSA-N 1 0 295.368 2.202 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000357775865 527992413 /nfs/dbraw/zinc/99/24/13/527992413.db2.gz RKSWTPHUFONHEJ-NSHDSACASA-N 1 0 280.372 2.252 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123929015 529079903 /nfs/dbraw/zinc/07/99/03/529079903.db2.gz NCXTVEGMZLCVGM-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045998 529105610 /nfs/dbraw/zinc/10/56/10/529105610.db2.gz UPCRDZCUJJCPGJ-LBPRGKRZSA-N 1 0 279.340 2.500 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268998 567924186 /nfs/dbraw/zinc/92/41/86/567924186.db2.gz AZXKKJXZEHVNGI-ZIAGYGMSSA-N 1 0 276.336 2.418 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049670 575147455 /nfs/dbraw/zinc/14/74/55/575147455.db2.gz UWEPGVRCQHSFEU-MFKMUULPSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@H](C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083625 575246206 /nfs/dbraw/zinc/24/62/06/575246206.db2.gz WLJXAMWAYSVECN-DOMZBBRYSA-N 1 0 296.367 2.374 20 5 CEBDRO CC(C)(C)[NH2+]Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090298203 623526311 /nfs/dbraw/zinc/52/63/11/623526311.db2.gz GSYLSXFOXKREGV-UHFFFAOYSA-N 1 0 289.339 2.123 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122424 624244337 /nfs/dbraw/zinc/24/43/37/624244337.db2.gz TVVBAFIHCQKRBA-DGCLKSJQSA-N 1 0 291.307 2.345 20 5 CEBDRO C[C@H]1CSCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934305271 624400467 /nfs/dbraw/zinc/40/04/67/624400467.db2.gz XOQBPTHKHZJMCJ-FZMZJTMJSA-N 1 0 296.392 2.456 20 5 CEBDRO COC(=O)[C@@]1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177478045 625736964 /nfs/dbraw/zinc/73/69/64/625736964.db2.gz JWZNMCZJBSXDOZ-AWEZNQCLSA-N 1 0 296.298 2.119 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000892622429 627319091 /nfs/dbraw/zinc/31/90/91/627319091.db2.gz PHYOCBIFPMDYCO-CJYSPXJISA-N 1 0 294.351 2.438 20 5 CEBDRO Cc1c(CNC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000311750530 627694924 /nfs/dbraw/zinc/69/49/24/627694924.db2.gz COOQXHBQTHRWJQ-LLVKDONJSA-N 1 0 265.357 2.191 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833695 627717640 /nfs/dbraw/zinc/71/76/40/627717640.db2.gz BGDJOGJQVANBGR-HOSYDEDBSA-N 1 0 250.298 2.280 20 5 CEBDRO CCCC[N@H+](CC[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000930828256 628280713 /nfs/dbraw/zinc/28/07/13/628280713.db2.gz ZILZZYUSNRTTOE-LLVKDONJSA-N 1 0 283.397 2.379 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925788044 628829089 /nfs/dbraw/zinc/82/90/89/628829089.db2.gz XRSDOPDYCMLKEO-NTZNESFSSA-N 1 0 263.341 2.162 20 5 CEBDRO C[C@@H](NCc1ncnn1CCF)c1ccc([N+](=O)[O-])cc1 ZINC000932178767 628982649 /nfs/dbraw/zinc/98/26/49/628982649.db2.gz SUVAURIGTSJWFA-SNVBAGLBSA-N 1 0 293.302 2.007 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841104311 629140402 /nfs/dbraw/zinc/14/04/02/629140402.db2.gz XNELEOYZIKPWRW-VIFPVBQESA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000791052763 629241281 /nfs/dbraw/zinc/24/12/81/629241281.db2.gz BYEIMCQECLXHTN-UHFFFAOYSA-N 1 0 266.316 2.357 20 5 CEBDRO CCC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048802066 629636286 /nfs/dbraw/zinc/63/62/86/629636286.db2.gz OTAZAFIGBVOMRM-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO Cc1nc(N2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000894847728 629686159 /nfs/dbraw/zinc/68/61/59/629686159.db2.gz FFJVKJBZZHDIQK-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636061 634755865 /nfs/dbraw/zinc/75/58/65/634755865.db2.gz DURHMDMTXATTPE-OCCSQVGLSA-N 1 0 290.323 2.011 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000895099411 629894535 /nfs/dbraw/zinc/89/45/35/629894535.db2.gz HDBXCXIUMQCSOW-TXEJJXNPSA-N 1 0 278.356 2.217 20 5 CEBDRO C[NH+](C)CCCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796440413 629903342 /nfs/dbraw/zinc/90/33/42/629903342.db2.gz ZBAOFAKLLDCDGG-UHFFFAOYSA-N 1 0 294.351 2.367 20 5 CEBDRO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247120 630060137 /nfs/dbraw/zinc/06/01/37/630060137.db2.gz SXTNWBLUOXWZPY-ZYHUDNBSSA-N 1 0 298.412 2.011 20 5 CEBDRO CC1=NO[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895301624 630090850 /nfs/dbraw/zinc/09/08/50/630090850.db2.gz JJSNMPLKXOCWNX-GFCCVEGCSA-N 1 0 277.324 2.466 20 5 CEBDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000895309977 630099088 /nfs/dbraw/zinc/09/90/88/630099088.db2.gz DNSZLVPFBKMLJL-GFCCVEGCSA-N 1 0 263.297 2.158 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736481 630326517 /nfs/dbraw/zinc/32/65/17/630326517.db2.gz JDEUGPLNJCCHGL-RKDXNWHRSA-N 1 0 255.343 2.469 20 5 CEBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895785571 630344069 /nfs/dbraw/zinc/34/40/69/630344069.db2.gz VBCDASLIJNAELY-WQZFYMLUSA-N 1 0 290.367 2.377 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510388 630578836 /nfs/dbraw/zinc/57/88/36/630578836.db2.gz NEVCWRJADWJKSE-NXEZZACHSA-N 1 0 266.297 2.197 20 5 CEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000896651798 630625578 /nfs/dbraw/zinc/62/55/78/630625578.db2.gz YTTBTKIGQOINEA-GFCCVEGCSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cc(N[C@H]2C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896691499 630639824 /nfs/dbraw/zinc/63/98/24/630639824.db2.gz XXGOLRYQVVRTFO-XYPYZODXSA-N 1 0 287.319 2.056 20 5 CEBDRO CO[C@@]1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000897465286 631532131 /nfs/dbraw/zinc/53/21/31/631532131.db2.gz VHLLJSIZMNRFIM-IUODEOHRSA-N 1 0 294.351 2.093 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465985 631532840 /nfs/dbraw/zinc/53/28/40/631532840.db2.gz LYPKDWLVIXDSAP-YRGRVCCFSA-N 1 0 277.368 2.238 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000897469965 631538258 /nfs/dbraw/zinc/53/82/58/631538258.db2.gz UWDMAYKDPLDZRQ-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011744 631728213 /nfs/dbraw/zinc/72/82/13/631728213.db2.gz UJORFEAAGSEWPM-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO COc1cc(CO[NH+]=C(N)C(C)C)ccc1[N+](=O)[O-] ZINC000809998138 632166956 /nfs/dbraw/zinc/16/69/56/632166956.db2.gz NNUNWTGOMFSMGQ-UHFFFAOYSA-N 1 0 267.285 2.258 20 5 CEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000898480761 632513630 /nfs/dbraw/zinc/51/36/30/632513630.db2.gz CWONNPGEHLKVOW-OLZOCXBDSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](CO)C1 ZINC000927146859 632593580 /nfs/dbraw/zinc/59/35/80/632593580.db2.gz ZLQGVKCYEHWNHR-KWBADKCTSA-N 1 0 282.315 2.025 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)c1 ZINC000813615649 632717341 /nfs/dbraw/zinc/71/73/41/632717341.db2.gz ZBWJVXYUFXJQDB-VIFPVBQESA-N 1 0 285.319 2.352 20 5 CEBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000814039626 632778748 /nfs/dbraw/zinc/77/87/48/632778748.db2.gz ULMMHSJTPYRMSW-GFCCVEGCSA-N 1 0 292.335 2.104 20 5 CEBDRO CSCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553588 633031081 /nfs/dbraw/zinc/03/10/81/633031081.db2.gz DLADMJGWZMLWDS-MRVPVSSYSA-N 1 0 255.343 2.191 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615528 633039079 /nfs/dbraw/zinc/03/90/79/633039079.db2.gz RDQHCNMDSCKHJX-MNOVXSKESA-N 1 0 279.340 2.254 20 5 CEBDRO CCc1nocc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000816610546 633421985 /nfs/dbraw/zinc/42/19/85/633421985.db2.gz OJESWEFNOOJVGR-UHFFFAOYSA-N 1 0 290.323 2.111 20 5 CEBDRO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981232 633823425 /nfs/dbraw/zinc/82/34/25/633823425.db2.gz HSALWHQADPTNMD-HZMBPMFUSA-N 1 0 292.383 2.345 20 5 CEBDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000818616632 633960638 /nfs/dbraw/zinc/96/06/38/633960638.db2.gz YYGUBLDDVFZAJJ-UFGOTCBOSA-N 1 0 278.356 2.098 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC2CCCC2)c1 ZINC000818965013 634018659 /nfs/dbraw/zinc/01/86/59/634018659.db2.gz BWPKAUITXHRCRB-HNNXBMFYSA-N 1 0 294.351 2.177 20 5 CEBDRO Cc1ncsc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016823 634040312 /nfs/dbraw/zinc/04/03/12/634040312.db2.gz CPJXPWDDLIXPMM-GFCCVEGCSA-N 1 0 293.348 2.183 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000819194590 634100763 /nfs/dbraw/zinc/10/07/63/634100763.db2.gz RXXRXHJYJBCXJR-YGRLFVJLSA-N 1 0 275.308 2.307 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310054 634134424 /nfs/dbraw/zinc/13/44/24/634134424.db2.gz YEXJHXFWULSQEK-QWHCGFSZSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000819353646 634150506 /nfs/dbraw/zinc/15/05/06/634150506.db2.gz GLXQTPVLCXFAJP-SWLSCSKDSA-N 1 0 294.351 2.035 20 5 CEBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819944248 634293576 /nfs/dbraw/zinc/29/35/76/634293576.db2.gz XWOJADNLFMNICK-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCCCCO)cc([N+](=O)[O-])c1 ZINC000903164717 634995130 /nfs/dbraw/zinc/99/51/30/634995130.db2.gz MVTVEAHGOSRQTA-LLVKDONJSA-N 1 0 282.340 2.417 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000903179438 635000896 /nfs/dbraw/zinc/00/08/96/635000896.db2.gz QDGFLACKXPMHOI-BHDSKKPTSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([C@H](C)[NH2+]Cc2cncn2C)cc([N+](=O)[O-])c1 ZINC000903170789 635004467 /nfs/dbraw/zinc/00/44/67/635004467.db2.gz CDFPVLZLAFUGHC-JTQLQIEISA-N 1 0 290.323 2.188 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](CO)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903199310 635009278 /nfs/dbraw/zinc/00/92/78/635009278.db2.gz JWRHBXLXCDWKCO-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000903469613 635141722 /nfs/dbraw/zinc/14/17/22/635141722.db2.gz VXKHXIONCKHZTM-ZDUSSCGKSA-N 1 0 279.315 2.108 20 5 CEBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH3+] ZINC000903556405 635166387 /nfs/dbraw/zinc/16/63/87/635166387.db2.gz XZYLKZFOWXDKCR-GFCCVEGCSA-N 1 0 283.759 2.417 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(CCC[NH2+]C1CC1)C2 ZINC000903882567 635324881 /nfs/dbraw/zinc/32/48/81/635324881.db2.gz OBPZGHRJELNOPJ-UHFFFAOYSA-N 1 0 275.352 2.095 20 5 CEBDRO C[C@@H](NC[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988433 635406961 /nfs/dbraw/zinc/40/69/61/635406961.db2.gz RGQWJRXJHNTTEC-SCZZXKLOSA-N 1 0 273.283 2.228 20 5 CEBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000825441034 635639531 /nfs/dbraw/zinc/63/95/31/635639531.db2.gz IBOFYDWDHRQOKQ-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000924800286 635697914 /nfs/dbraw/zinc/69/79/14/635697914.db2.gz XOIUTMNJRQRZIL-OSAQELSMSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000905083305 635798460 /nfs/dbraw/zinc/79/84/60/635798460.db2.gz VRIARIDGPGABBV-KOLCDFICSA-N 1 0 274.242 2.428 20 5 CEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccccc1Cl ZINC000905094768 635829394 /nfs/dbraw/zinc/82/93/94/635829394.db2.gz BCMGUQFNASAKOO-UHFFFAOYSA-N 1 0 256.733 2.484 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CC1 ZINC000826990512 636179906 /nfs/dbraw/zinc/17/99/06/636179906.db2.gz HPDURXZYFZESRS-VIFPVBQESA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905263000 636182137 /nfs/dbraw/zinc/18/21/37/636182137.db2.gz OAAXEBFBTLBSHH-UHFFFAOYSA-N 1 0 250.342 2.447 20 5 CEBDRO Cc1c(Br)cccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905562163 636326511 /nfs/dbraw/zinc/32/65/11/636326511.db2.gz VASGTRKIQMUJGY-UHFFFAOYSA-N 1 0 287.157 2.166 20 5 CEBDRO C[C@H](O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827579762 636358672 /nfs/dbraw/zinc/35/86/72/636358672.db2.gz JUJRCISRABPGEX-QMMMGPOBSA-N 1 0 270.716 2.251 20 5 CEBDRO CSC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905645300 636380482 /nfs/dbraw/zinc/38/04/82/636380482.db2.gz WAMWJQIKICIURV-WDEREUQCSA-N 1 0 284.381 2.012 20 5 CEBDRO C[C@H](NCc1cn(C2CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000906286082 636680172 /nfs/dbraw/zinc/68/01/72/636680172.db2.gz ORDQJOYHBOJTIH-JTQLQIEISA-N 1 0 287.323 2.372 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000828988588 636746899 /nfs/dbraw/zinc/74/68/99/636746899.db2.gz ZKKCPLVFBBTRQV-PELKAZGASA-N 1 0 283.278 2.013 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000830572964 637104185 /nfs/dbraw/zinc/10/41/85/637104185.db2.gz XNVXVPDPTKUMMI-AQNFWKISSA-N 1 0 276.336 2.406 20 5 CEBDRO CS[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889278 637191323 /nfs/dbraw/zinc/19/13/23/637191323.db2.gz NCNTUTMXKMBEBD-CHWSQXEVSA-N 1 0 282.365 2.066 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000876587582 650347143 /nfs/dbraw/zinc/34/71/43/650347143.db2.gz KHNYNSDPLXWIEB-XDTLVQLUSA-N 1 0 291.351 2.145 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905239 637984121 /nfs/dbraw/zinc/98/41/21/637984121.db2.gz SFUUHJOLHQXWKO-NOZJJQNGSA-N 1 0 279.340 2.253 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(F)cc3)C2)c1 ZINC000876894144 650477140 /nfs/dbraw/zinc/47/71/40/650477140.db2.gz PKFUCVOJTMWDCL-UHFFFAOYSA-N 1 0 290.298 2.424 20 5 CEBDRO C[NH+](C)C1(C)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000913399143 639271598 /nfs/dbraw/zinc/27/15/98/639271598.db2.gz UUZBOJWLPPJWGX-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000227015285 639570750 /nfs/dbraw/zinc/57/07/50/639570750.db2.gz CAEBFGXPKUUCMX-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841011763 639617543 /nfs/dbraw/zinc/61/75/43/639617543.db2.gz VGDYYHAHRKIZFT-JTQLQIEISA-N 1 0 298.730 2.107 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841028464 639621337 /nfs/dbraw/zinc/62/13/37/639621337.db2.gz GHYDTYFZVWATPJ-NSHDSACASA-N 1 0 271.748 2.321 20 5 CEBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000876968890 650512058 /nfs/dbraw/zinc/51/20/58/650512058.db2.gz UUMUVECKELULAG-OIKLOGQESA-N 1 0 264.329 2.131 20 5 CEBDRO Cc1c(-c2nc([C@@H]3CCC[NH2+]C3)no2)cccc1[N+](=O)[O-] ZINC000228560068 639644525 /nfs/dbraw/zinc/64/45/25/639644525.db2.gz UOBKIHPIPCZHDW-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000229027164 639672472 /nfs/dbraw/zinc/67/24/72/639672472.db2.gz NVOZUESSBPBYTJ-NSHDSACASA-N 1 0 293.367 2.296 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233619 639714549 /nfs/dbraw/zinc/71/45/49/639714549.db2.gz ZZDWPYGVLRKSNB-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC=CCC3)C2)c1 ZINC000876988023 650520796 /nfs/dbraw/zinc/52/07/96/650520796.db2.gz QUCUQRZBEAQORR-HIFPTAJRSA-N 1 0 276.340 2.441 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063191404 639837616 /nfs/dbraw/zinc/83/76/16/639837616.db2.gz FFXCZNYZNXUXLT-SMDDNHRTSA-N 1 0 263.341 2.297 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231661932 639870492 /nfs/dbraw/zinc/87/04/92/639870492.db2.gz AXGUHKWPOIDLDX-CYBMUJFWSA-N 1 0 275.352 2.311 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000174247664 639911312 /nfs/dbraw/zinc/91/13/12/639911312.db2.gz ZUXAJPNTOMDDKX-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO CC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000842147049 639965800 /nfs/dbraw/zinc/96/58/00/639965800.db2.gz ICBZKUUQTCFYJP-HNNXBMFYSA-N 1 0 293.367 2.142 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000842710064 640156660 /nfs/dbraw/zinc/15/66/60/640156660.db2.gz JPKQSESOGLSPPT-NHCYSSNCSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000843148297 640307259 /nfs/dbraw/zinc/30/72/59/640307259.db2.gz PGDFDRSWALLBJW-SNVBAGLBSA-N 1 0 277.284 2.004 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCC[NH3+])n1 ZINC000843188007 640340018 /nfs/dbraw/zinc/34/00/18/640340018.db2.gz WOPMUYMGLFOOCB-UHFFFAOYSA-N 1 0 276.296 2.235 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219136 640351525 /nfs/dbraw/zinc/35/15/25/640351525.db2.gz XJABRBFMLHUGHM-LURJTMIESA-N 1 0 268.298 2.029 20 5 CEBDRO C[C@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357439 640401234 /nfs/dbraw/zinc/40/12/34/640401234.db2.gz JOHLAYRTQVQFQV-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO CC[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000153333120 640461414 /nfs/dbraw/zinc/46/14/14/640461414.db2.gz MPVMXLOZUYWTFB-NSHDSACASA-N 1 0 252.318 2.261 20 5 CEBDRO C[C@@H]1CCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154716 650599855 /nfs/dbraw/zinc/59/98/55/650599855.db2.gz XMEGQNWCZJBNFX-CYBMUJFWSA-N 1 0 277.368 2.211 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000920841648 641205645 /nfs/dbraw/zinc/20/56/45/641205645.db2.gz SBCHPVZNJYSMLV-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000920864436 641207426 /nfs/dbraw/zinc/20/74/26/641207426.db2.gz VVMPUADEWXTVET-AWEZNQCLSA-N 1 0 293.367 2.219 20 5 CEBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000877243442 650640490 /nfs/dbraw/zinc/64/04/90/650640490.db2.gz MBCOEIAFCZVZSN-UMSPYCQHSA-N 1 0 299.330 2.215 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000181575317 641571381 /nfs/dbraw/zinc/57/13/81/641571381.db2.gz PBMNCQSFOFUKIC-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848754454 642129074 /nfs/dbraw/zinc/12/90/74/642129074.db2.gz TZDQHPNSNPJUPX-AOOOYVTPSA-N 1 0 297.330 2.495 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000840765592 642130584 /nfs/dbraw/zinc/13/05/84/642130584.db2.gz YGVDOOJGLCQGFN-ZMLRMANQSA-N 1 0 279.340 2.395 20 5 CEBDRO CC(C)OC[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000849228543 642289003 /nfs/dbraw/zinc/28/90/03/642289003.db2.gz MVNJNFFOVYMCEZ-NSHDSACASA-N 1 0 292.295 2.070 20 5 CEBDRO CC[N@H+](CCOCCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877499927 650752502 /nfs/dbraw/zinc/75/25/02/650752502.db2.gz MGBAPLVAEGIIKY-UHFFFAOYSA-N 1 0 296.367 2.042 20 5 CEBDRO CON(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850479829 642726513 /nfs/dbraw/zinc/72/65/13/642726513.db2.gz DBFZWLLBJODMDZ-NSHDSACASA-N 1 0 267.329 2.047 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850551522 642750527 /nfs/dbraw/zinc/75/05/27/642750527.db2.gz WJXLPDVBRFCXIX-NSHDSACASA-N 1 0 295.339 2.252 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877596122 650807223 /nfs/dbraw/zinc/80/72/23/650807223.db2.gz NJBUZKHHMWNBPD-DLOFLVKXSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907317 643218818 /nfs/dbraw/zinc/21/88/18/643218818.db2.gz SNDKSNZSAVJYLI-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000852097282 643299810 /nfs/dbraw/zinc/29/98/10/643299810.db2.gz UKWGYVSHGPCXIK-LNSITVRQSA-N 1 0 294.351 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000852345712 643401267 /nfs/dbraw/zinc/40/12/67/643401267.db2.gz VSNDBEWQDLCXPH-UHIISALHSA-N 1 0 294.326 2.327 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535038 643462691 /nfs/dbraw/zinc/46/26/91/643462691.db2.gz UEFBQAQOWIDYFJ-RISCZKNCSA-N 1 0 280.299 2.202 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853125157 643668099 /nfs/dbraw/zinc/66/80/99/643668099.db2.gz MNOQOKXAGQLLTH-GXTWGEPZSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923458265 643720240 /nfs/dbraw/zinc/72/02/40/643720240.db2.gz RVOBOJULXNYSKE-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923487683 643731259 /nfs/dbraw/zinc/73/12/59/643731259.db2.gz BFXGOUSQYVKEFS-NEPJUHHUSA-N 1 0 293.367 2.020 20 5 CEBDRO CC[C@@H]1CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515510 643798819 /nfs/dbraw/zinc/79/88/19/643798819.db2.gz XCJYZTKXCYYDGN-LLVKDONJSA-N 1 0 287.323 2.295 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)c1 ZINC000853798773 643904663 /nfs/dbraw/zinc/90/46/63/643904663.db2.gz KUMDIWXAGRANCO-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853905634 643939757 /nfs/dbraw/zinc/93/97/57/643939757.db2.gz BMSSVBNRPOLOCJ-SNVBAGLBSA-N 1 0 294.311 2.399 20 5 CEBDRO C[NH2+]C1(CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000856762639 644712106 /nfs/dbraw/zinc/71/21/06/644712106.db2.gz MWUOZWGDKFESLJ-UHFFFAOYSA-N 1 0 295.339 2.166 20 5 CEBDRO O=[N+]([O-])c1c(Cl)cccc1OC[C@H]1CC[NH2+]C1 ZINC000126904127 650997887 /nfs/dbraw/zinc/99/78/87/650997887.db2.gz CVADARISSDDEAG-QMMMGPOBSA-N 1 0 256.689 2.237 20 5 CEBDRO [NH3+][C@@H]1CC=C(c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000863658757 646781163 /nfs/dbraw/zinc/78/11/63/646781163.db2.gz SWLIKKCZONXXKN-LLVKDONJSA-N 1 0 286.291 2.073 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000863660550 646782712 /nfs/dbraw/zinc/78/27/12/646782712.db2.gz CTUZZTGCVLHIPB-JTQLQIEISA-N 1 0 286.291 2.458 20 5 CEBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NCCC1CC1 ZINC000864457006 647011676 /nfs/dbraw/zinc/01/16/76/647011676.db2.gz PFOXFYFUHCKYPU-UHFFFAOYSA-N 1 0 276.340 2.051 20 5 CEBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776582279 647074764 /nfs/dbraw/zinc/07/47/64/647074764.db2.gz OCRZQBRFHMRXLC-AWEZNQCLSA-N 1 0 264.325 2.360 20 5 CEBDRO CO[C@@H](C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776585730 647075494 /nfs/dbraw/zinc/07/54/94/647075494.db2.gz ZULKAKBTMDYREB-WFASDCNBSA-N 1 0 296.367 2.374 20 5 CEBDRO CO[C@H](C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776585727 647075554 /nfs/dbraw/zinc/07/55/54/647075554.db2.gz ZULKAKBTMDYREB-DOMZBBRYSA-N 1 0 296.367 2.374 20 5 CEBDRO CNC(=O)C1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000779177360 647294939 /nfs/dbraw/zinc/29/49/39/647294939.db2.gz ZUTBEDGQDZCVPU-UHFFFAOYSA-N 1 0 291.351 2.052 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865470839 647310961 /nfs/dbraw/zinc/31/09/61/647310961.db2.gz GYQJTIUHUZGOII-NSHDSACASA-N 1 0 297.330 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865692860 647427035 /nfs/dbraw/zinc/42/70/35/647427035.db2.gz GVWONGDTSALUTQ-SZWZKDINSA-N 1 0 274.320 2.108 20 5 CEBDRO Cc1nn(CN2CC[C@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818804 647545916 /nfs/dbraw/zinc/54/59/16/647545916.db2.gz YFQHQSQQCLMKMM-ZDUSSCGKSA-N 1 0 296.371 2.113 20 5 CEBDRO C[C@@H](C1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000782182466 647597347 /nfs/dbraw/zinc/59/73/47/647597347.db2.gz HLVDDPBQDTYTQN-JQWIXIFHSA-N 1 0 276.340 2.275 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000866205311 647668197 /nfs/dbraw/zinc/66/81/97/647668197.db2.gz CEDNDBBXNXNYBY-NWDGAFQWSA-N 1 0 261.325 2.125 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000866205257 647668382 /nfs/dbraw/zinc/66/83/82/647668382.db2.gz KSXPMZSEKMHADK-UWVGGRQHSA-N 1 0 267.354 2.187 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209867 647673043 /nfs/dbraw/zinc/67/30/43/647673043.db2.gz WSXZDTGKTKPTAZ-NWDGAFQWSA-N 1 0 291.351 2.134 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866271159 647709875 /nfs/dbraw/zinc/70/98/75/647709875.db2.gz DZALFBVJDFIYOP-GWCFXTLKSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866682306 647867381 /nfs/dbraw/zinc/86/73/81/647867381.db2.gz HXCDWHBDLPSQMY-WCBMZHEXSA-N 1 0 269.732 2.170 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592681 648205878 /nfs/dbraw/zinc/20/58/78/648205878.db2.gz FFNWSAMMIMZIGY-CMPLNLGQSA-N 1 0 290.367 2.064 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789593527 648321010 /nfs/dbraw/zinc/32/10/10/648321010.db2.gz RLSCNSTXGDPZOL-SECBINFHSA-N 1 0 299.758 2.205 20 5 CEBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000790995708 648470336 /nfs/dbraw/zinc/47/03/36/648470336.db2.gz CATDRKRZEKWJBV-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871788582 649186675 /nfs/dbraw/zinc/18/66/75/649186675.db2.gz MMSBINBBSOLXAT-SECBINFHSA-N 1 0 290.323 2.412 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)O ZINC000872015941 649241141 /nfs/dbraw/zinc/24/11/41/649241141.db2.gz ANXHEUGWIQHLDA-BDAKNGLRSA-N 1 0 270.354 2.348 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027253 649244813 /nfs/dbraw/zinc/24/48/13/649244813.db2.gz KOTFCNAHUBQNKW-ZJUUUORDSA-N 1 0 268.288 2.421 20 5 CEBDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026488 649245332 /nfs/dbraw/zinc/24/53/32/649245332.db2.gz FJHLHZYHSMHEBH-MNOVXSKESA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029447 649246226 /nfs/dbraw/zinc/24/62/26/649246226.db2.gz XTFCFNBLBSAHGC-JTQLQIEISA-N 1 0 297.330 2.253 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085515 649269067 /nfs/dbraw/zinc/26/90/67/649269067.db2.gz ZIZGTKMQDXSKTJ-RKDXNWHRSA-N 1 0 274.267 2.105 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000872217550 649319600 /nfs/dbraw/zinc/31/96/00/649319600.db2.gz ZQOJMPLLEUVXML-FZMZJTMJSA-N 1 0 296.392 2.361 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781543 649488259 /nfs/dbraw/zinc/48/82/59/649488259.db2.gz VDQZGLOSDFGAGZ-ZJUUUORDSA-N 1 0 267.354 2.329 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000873135740 649566301 /nfs/dbraw/zinc/56/63/01/649566301.db2.gz MNEHKLLZFMZNOI-LBPRGKRZSA-N 1 0 278.352 2.462 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000873216925 649594137 /nfs/dbraw/zinc/59/41/37/649594137.db2.gz UTLRKFUQBRFCDG-MWLCHTKSSA-N 1 0 283.759 2.275 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000878951420 651216867 /nfs/dbraw/zinc/21/68/67/651216867.db2.gz JHIYOQKUPDYCNF-DGCLKSJQSA-N 1 0 264.325 2.248 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322119 651285605 /nfs/dbraw/zinc/28/56/05/651285605.db2.gz QIWACLORZUXHNU-NILFDRSVSA-N 1 0 294.351 2.128 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322453 651285619 /nfs/dbraw/zinc/28/56/19/651285619.db2.gz TYUAWSOFUUYDRA-GLQYFDAESA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1[N+](=O)[O-] ZINC000879564763 651322532 /nfs/dbraw/zinc/32/25/32/651322532.db2.gz LNUFMVPAOMNXBK-VHSXEESVSA-N 1 0 283.353 2.076 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000879583046 651326981 /nfs/dbraw/zinc/32/69/81/651326981.db2.gz VGRRXLMCLXRJAQ-GXTWGEPZSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000880131375 651387984 /nfs/dbraw/zinc/38/79/84/651387984.db2.gz KDXYEXYFNRQDJN-HUUCEWRRSA-N 1 0 275.352 2.263 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000880144135 651391961 /nfs/dbraw/zinc/39/19/61/651391961.db2.gz XHMZUVSGEDCSIL-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880294605 651417518 /nfs/dbraw/zinc/41/75/18/651417518.db2.gz DGAORHUTTZRJAB-LLVKDONJSA-N 1 0 268.288 2.395 20 5 CEBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880471249 651446474 /nfs/dbraw/zinc/44/64/74/651446474.db2.gz YDRNHMKVFHPBBL-MNOVXSKESA-N 1 0 283.328 2.186 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881803057 651887588 /nfs/dbraw/zinc/88/75/88/651887588.db2.gz YFJKRYNQEQZWLT-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO CC(=O)c1c(N[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000881845167 651899916 /nfs/dbraw/zinc/89/99/16/651899916.db2.gz GSVJOXACFLAQLI-LLVKDONJSA-N 1 0 289.335 2.446 20 5 CEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1c1cc[nH+]cc1 ZINC000882820237 652228820 /nfs/dbraw/zinc/22/88/20/652228820.db2.gz JGQXOZMIULVLMA-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000882962646 652293440 /nfs/dbraw/zinc/29/34/40/652293440.db2.gz ZUMUHTCDLSOBGO-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000882962893 652293804 /nfs/dbraw/zinc/29/38/04/652293804.db2.gz HPFYBZQNCOEJSU-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883356125 652440154 /nfs/dbraw/zinc/44/01/54/652440154.db2.gz GQOKDKFQVCYGML-FZMZJTMJSA-N 1 0 275.352 2.266 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1C ZINC000884018279 652631913 /nfs/dbraw/zinc/63/19/13/652631913.db2.gz RFFHTRRNAZTVEC-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000884069022 652693695 /nfs/dbraw/zinc/69/36/95/652693695.db2.gz OCZNJFGUPJQFSR-CYBMUJFWSA-N 1 0 293.367 2.221 20 5 CEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H](C)[NH2+]1 ZINC000884559109 652915789 /nfs/dbraw/zinc/91/57/89/652915789.db2.gz MSCMJVSNDHASPN-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO C[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164629719 719153761 /nfs/dbraw/zinc/15/37/61/719153761.db2.gz CNQMOMVTCRJYPV-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165040265 721889506 /nfs/dbraw/zinc/88/95/06/721889506.db2.gz UGQDTVXQWLGACS-JTQLQIEISA-N 1 0 298.774 2.482 20 5 CEBDRO COc1cc(OC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC001226581036 805661153 /nfs/dbraw/zinc/66/11/53/805661153.db2.gz IXJTTWFAJWYRAR-UHFFFAOYSA-N 1 0 293.323 2.004 20 5 CEBDRO CC1(Nc2ncc3cccc([N+](=O)[O-])c3n2)CC[NH2+]CC1 ZINC001168186596 806387265 /nfs/dbraw/zinc/38/72/65/806387265.db2.gz FCELSIYKGAUBDE-UHFFFAOYSA-N 1 0 287.323 2.092 20 5 CEBDRO CC/C(C)=C\C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126752064 806517262 /nfs/dbraw/zinc/51/72/62/806517262.db2.gz LZENDTIZYARGDE-BENRWUELSA-N 1 0 291.351 2.157 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001168310915 806643393 /nfs/dbraw/zinc/64/33/93/806643393.db2.gz WLFSGDJTAXCSQF-YNEHKIRRSA-N 1 0 298.289 2.215 20 5 CEBDRO C[N+](C)(C)CCO[C@@H]1CCc2c1nccc2Cl ZINC001224770455 806945711 /nfs/dbraw/zinc/94/57/11/806945711.db2.gz AYIWLWHKJKBUBV-GFCCVEGCSA-N 1 0 255.769 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2SCCS2)cc1 ZINC000703024181 809611823 /nfs/dbraw/zinc/61/18/23/809611823.db2.gz OPOQVNSZLMFMFE-UHFFFAOYSA-N 1 0 270.379 2.491 20 5 CEBDRO Cc1c(NC(=O)C[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000016473669 802966623 /nfs/dbraw/zinc/96/66/23/802966623.db2.gz ILWRHYCPJQGKOD-UHFFFAOYSA-N 1 0 265.313 2.230 20 5 CEBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000097506359 803059722 /nfs/dbraw/zinc/05/97/22/803059722.db2.gz WJGHJNIWVMNOCK-UHFFFAOYSA-N 1 0 252.318 2.403 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000127764217 803154146 /nfs/dbraw/zinc/15/41/46/803154146.db2.gz YZQQGWXLOKUTSB-CYBMUJFWSA-N 1 0 264.329 2.403 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712525085 814763422 /nfs/dbraw/zinc/76/34/22/814763422.db2.gz BHEAPCZWPPZPKK-SECBINFHSA-N 1 0 270.720 2.149 20 5 CEBDRO COc1cccc(-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001167698237 803572644 /nfs/dbraw/zinc/57/26/44/803572644.db2.gz QGVBCPBJVIXHLZ-UHFFFAOYSA-N 1 0 298.302 2.401 20 5 CEBDRO C[C@H]1[NH2+]C[C@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218387084 803596083 /nfs/dbraw/zinc/59/60/83/803596083.db2.gz WZVAATYIRMEYCI-NOZJJQNGSA-N 1 0 258.277 2.487 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000037537499 803788484 /nfs/dbraw/zinc/78/84/84/803788484.db2.gz HPJVKTDPSQBBAD-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C(C)(C)C[NH3+])n1 ZINC001118183768 814990651 /nfs/dbraw/zinc/99/06/51/814990651.db2.gz OMWJLSYOEHCHAP-UHFFFAOYSA-N 1 0 290.323 2.498 20 5 CEBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383187 804872949 /nfs/dbraw/zinc/87/29/49/804872949.db2.gz WCOAYCSIMOXKJL-SNVBAGLBSA-N 1 0 254.261 2.207 20 5 CEBDRO Cc1cccc(OC2CN(C(C)C)C2)c1[N+](=O)[O-] ZINC001225633280 805050147 /nfs/dbraw/zinc/05/01/47/805050147.db2.gz RCCKGKUFHSGOCA-UHFFFAOYSA-N 1 0 250.298 2.375 20 5 CEBDRO Cc1nc(NC2CCC(C)([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001118930851 815056253 /nfs/dbraw/zinc/05/62/53/815056253.db2.gz SDDALTJGXSDGCU-UHFFFAOYSA-N 1 0 293.371 2.368 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794331 805299943 /nfs/dbraw/zinc/29/99/43/805299943.db2.gz NODHMDJAICTXKG-VIFPVBQESA-N 1 0 254.261 2.207 20 5 CEBDRO CO[C@H]1C[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119251578 815079433 /nfs/dbraw/zinc/07/94/33/815079433.db2.gz YVZGRHJHLRTAAX-WGRBQBNCSA-N 1 0 276.336 2.378 20 5 CEBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000696035776 807127765 /nfs/dbraw/zinc/12/77/65/807127765.db2.gz YPHBWVWGODEVTJ-VIFPVBQESA-N 1 0 284.743 2.499 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285998 815136559 /nfs/dbraw/zinc/13/65/59/815136559.db2.gz MFNPZCWYJGUBAS-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)n1 ZINC001168593678 808688293 /nfs/dbraw/zinc/68/82/93/808688293.db2.gz SLAIAXQUSFSXQN-QWRGUYRKSA-N 1 0 294.355 2.283 20 5 CEBDRO CC(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171793888 815237836 /nfs/dbraw/zinc/23/78/36/815237836.db2.gz ZQCYFTCBDAGESV-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700614675 809331788 /nfs/dbraw/zinc/33/17/88/809331788.db2.gz DWVXPQJALQAZOJ-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOCCF ZINC000702544737 809564418 /nfs/dbraw/zinc/56/44/18/809564418.db2.gz DNHWETFMRLSSDR-UHFFFAOYSA-N 1 0 276.695 2.324 20 5 CEBDRO [NH3+]C[C@@H](Nc1cc([N+](=O)[O-])ccn1)c1ccccc1 ZINC001163292909 810066083 /nfs/dbraw/zinc/06/60/83/810066083.db2.gz YWNCZPPCBDQMAH-GFCCVEGCSA-N 1 0 258.281 2.102 20 5 CEBDRO Cc1cc(C[NH3+])nn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001163985543 810238707 /nfs/dbraw/zinc/23/87/07/810238707.db2.gz WFEUKANUNKYWGW-UHFFFAOYSA-N 1 0 266.688 2.201 20 5 CEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122239095 815394934 /nfs/dbraw/zinc/39/49/34/815394934.db2.gz ATTJEQJDCQIALH-CYBMUJFWSA-N 1 0 295.364 2.015 20 5 CEBDRO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001155021074 810923531 /nfs/dbraw/zinc/92/35/31/810923531.db2.gz UDLCNGJCSVRROV-JQWIXIFHSA-N 1 0 278.356 2.346 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122600097 815429497 /nfs/dbraw/zinc/42/94/97/815429497.db2.gz RZIZDEJXRIAFSS-ZDUSSCGKSA-N 1 0 265.313 2.359 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccncc3)CC2)C1 ZINC001168976216 811305607 /nfs/dbraw/zinc/30/56/07/811305607.db2.gz ZRJXGWUGFUYEGP-AAEUAGOBSA-N 1 0 261.325 2.106 20 5 CEBDRO CCCCOCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979532 811308891 /nfs/dbraw/zinc/30/88/91/811308891.db2.gz ZBCYSNJPHUBKKS-STQMWFEESA-N 1 0 258.362 2.228 20 5 CEBDRO Cc1cccn2cc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)nc12 ZINC001168979171 811307950 /nfs/dbraw/zinc/30/79/50/811307950.db2.gz WSCMUSRUBSIBAK-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)N1O ZINC001168982790 811309394 /nfs/dbraw/zinc/30/93/94/811309394.db2.gz JAEZPNNPUDIQCM-TUAOUCFPSA-N 1 0 285.388 2.042 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001168958509 811312136 /nfs/dbraw/zinc/31/21/36/811312136.db2.gz NQPHINRBUNYLTN-SKDRFNHKSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1 ZINC001168959037 811313908 /nfs/dbraw/zinc/31/39/08/811313908.db2.gz SMPNZGXXQYLGKM-YPMHNXCESA-N 1 0 294.351 2.239 20 5 CEBDRO [NH3+]Cc1nc2ccccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964192 811316720 /nfs/dbraw/zinc/31/67/20/811316720.db2.gz RTCTUJPMPXNEOO-QWRGUYRKSA-N 1 0 274.324 2.113 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001168965851 811316949 /nfs/dbraw/zinc/31/69/49/811316949.db2.gz CREYOAAZPCBLSG-NHCYSSNCSA-N 1 0 267.304 2.317 20 5 CEBDRO [NH3+]CCc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965892 811317675 /nfs/dbraw/zinc/31/76/75/811317675.db2.gz DHMJTFCSCCTUGQ-GXTWGEPZSA-N 1 0 263.341 2.045 20 5 CEBDRO [NH3+]Cc1cnc2c(ccn2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966803 811318538 /nfs/dbraw/zinc/31/85/38/811318538.db2.gz LGFNVDSHTVMPBT-ZWNOBZJWSA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1ccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169002020 811327738 /nfs/dbraw/zinc/32/77/38/811327738.db2.gz JEZNOZYYRAZIRL-VHDGCEQUSA-N 1 0 278.352 2.063 20 5 CEBDRO CC(C)c1nc(CC[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169012005 811333693 /nfs/dbraw/zinc/33/36/93/811333693.db2.gz OMLJDEIANCXXSD-NWDGAFQWSA-N 1 0 296.371 2.113 20 5 CEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010956 811333949 /nfs/dbraw/zinc/33/39/49/811333949.db2.gz GOSNBBCUHVSZMP-IHRRRGAJSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010959 811334353 /nfs/dbraw/zinc/33/43/53/811334353.db2.gz GRCIHNUUNVHWQO-GMTAPVOTSA-N 1 0 280.290 2.359 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010960 811334613 /nfs/dbraw/zinc/33/46/13/811334613.db2.gz GRCIHNUUNVHWQO-MXWKQRLJSA-N 1 0 280.290 2.359 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC001168988564 811338444 /nfs/dbraw/zinc/33/84/44/811338444.db2.gz SLLNGCIOPHNWIO-KWQFWETISA-N 1 0 287.722 2.409 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034173 811346020 /nfs/dbraw/zinc/34/60/20/811346020.db2.gz FTQIBGMCNBALEU-XQQFMLRXSA-N 1 0 298.383 2.238 20 5 CEBDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039035 811349498 /nfs/dbraw/zinc/34/94/98/811349498.db2.gz MPRQFIQSRJXGSB-SDDRHHMPSA-N 1 0 286.372 2.094 20 5 CEBDRO CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169040990 811350547 /nfs/dbraw/zinc/35/05/47/811350547.db2.gz AHKGSHOCVNYBOX-JSGCOSHPSA-N 1 0 270.373 2.323 20 5 CEBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042862 811351346 /nfs/dbraw/zinc/35/13/46/811351346.db2.gz GOSNBBCUHVSZMP-RDBSUJKOSA-N 1 0 298.383 2.097 20 5 CEBDRO CC[N@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040366 811351608 /nfs/dbraw/zinc/35/16/08/811351608.db2.gz ZJSZUSSNISEEAL-NEPJUHHUSA-N 1 0 286.372 2.095 20 5 CEBDRO CCCCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023817 811355518 /nfs/dbraw/zinc/35/55/18/811355518.db2.gz FLCFQHBCFAQITM-CABCVRRESA-N 1 0 283.416 2.240 20 5 CEBDRO Cc1c(-n2ccc([C@H](C)[NH3+])n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169232525 811448056 /nfs/dbraw/zinc/44/80/56/811448056.db2.gz GOOKOKXTHTZVCQ-QMMMGPOBSA-N 1 0 291.267 2.017 20 5 CEBDRO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1cnccn1 ZINC001169534236 811558152 /nfs/dbraw/zinc/55/81/52/811558152.db2.gz QZFUIEUKSOXGBE-SECBINFHSA-N 1 0 285.307 2.161 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(NCC2C[NH+](C)C2)c1F ZINC001170256403 812363088 /nfs/dbraw/zinc/36/30/88/812363088.db2.gz KBTHEKMYTQDDOZ-UHFFFAOYSA-N 1 0 253.277 2.016 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001170290387 812384222 /nfs/dbraw/zinc/38/42/22/812384222.db2.gz BBGYVYDHOCMDPA-RISCZKNCSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001170329747 812389676 /nfs/dbraw/zinc/38/96/76/812389676.db2.gz SXIXKUBSDHWDSU-NSHDSACASA-N 1 0 262.309 2.406 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C2CSC2)c([N+](=O)[O-])c1 ZINC001170307443 812390738 /nfs/dbraw/zinc/39/07/38/812390738.db2.gz FXEPPIHNLOLZQR-VIFPVBQESA-N 1 0 282.365 2.239 20 5 CEBDRO CCC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])COC1 ZINC001170307870 812390747 /nfs/dbraw/zinc/39/07/47/812390747.db2.gz JLMCFVHTYVSGGL-NSHDSACASA-N 1 0 294.351 2.303 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898782 815539603 /nfs/dbraw/zinc/53/96/03/815539603.db2.gz JGLCAKUPZNKKMB-FZMZJTMJSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)CC2 ZINC001172902153 815539681 /nfs/dbraw/zinc/53/96/81/815539681.db2.gz WCKJFFDYPHAXMZ-DFBGVHRSSA-N 1 0 290.363 2.203 20 5 CEBDRO COC1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904734 815541077 /nfs/dbraw/zinc/54/10/77/815541077.db2.gz ACMMKZDCPYQLOE-CYBMUJFWSA-N 1 0 276.336 2.173 20 5 CEBDRO C[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@@H](C)[NH2+]1 ZINC001158177109 812625105 /nfs/dbraw/zinc/62/51/05/812625105.db2.gz RHWLOPKWTQBTJN-GHMZBOCLSA-N 1 0 286.335 2.330 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(O)CCC1)CC2 ZINC001172913737 815544079 /nfs/dbraw/zinc/54/40/79/815544079.db2.gz YYGDWLVYGHCMJZ-AWEZNQCLSA-N 1 0 290.363 2.347 20 5 CEBDRO O=C1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912884 815558968 /nfs/dbraw/zinc/55/89/68/815558968.db2.gz CETGDMXSEAGKCY-ZDUSSCGKSA-N 1 0 274.320 2.117 20 5 CEBDRO Cc1nc(NC(C)(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001158753908 812965623 /nfs/dbraw/zinc/96/56/23/812965623.db2.gz LHXTWPXMJVVVOR-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170866735 813563504 /nfs/dbraw/zinc/56/35/04/813563504.db2.gz XRVDDTQEJPRGLG-AWEZNQCLSA-N 1 0 275.308 2.217 20 5 CEBDRO Nc1ccnc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171302312 814413705 /nfs/dbraw/zinc/41/37/05/814413705.db2.gz KQGFMGCHZWKHAQ-UHFFFAOYSA-N 1 0 297.318 2.017 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001116037562 814766013 /nfs/dbraw/zinc/76/60/13/814766013.db2.gz TZAGMMLGRLJSHZ-UWVGGRQHSA-N 1 0 297.380 2.259 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000712569718 814767559 /nfs/dbraw/zinc/76/75/59/814767559.db2.gz BXNRKINJOAGGDV-RISCZKNCSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001117254035 814911013 /nfs/dbraw/zinc/91/10/13/814911013.db2.gz SHHKNLKBIIACBZ-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]([NH2+]CCOC1CC1)c1ccccc1[N+](=O)[O-] ZINC000714983408 814920104 /nfs/dbraw/zinc/92/01/04/814920104.db2.gz XTGBEAFHXZIYIA-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cccn1 ZINC001173215549 815623191 /nfs/dbraw/zinc/62/31/91/815623191.db2.gz WRORSVIYYAZCBT-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216824 815623892 /nfs/dbraw/zinc/62/38/92/815623892.db2.gz NEYFVCQQWCEXGG-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO Cc1ncncc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218546 815624847 /nfs/dbraw/zinc/62/48/47/815624847.db2.gz BSZOYTVCBDRWPB-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](O)C1 ZINC001173222017 815625867 /nfs/dbraw/zinc/62/58/67/815625867.db2.gz OLFLOCKTERYNFU-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnoc1 ZINC001173224744 815627083 /nfs/dbraw/zinc/62/70/83/815627083.db2.gz OQYXMUUQVODMCC-LLVKDONJSA-N 1 0 275.308 2.346 20 5 CEBDRO COC(=O)CC1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225630 815629278 /nfs/dbraw/zinc/62/92/78/815629278.db2.gz DYZPQHMLQIMOIS-LLVKDONJSA-N 1 0 292.335 2.021 20 5 CEBDRO CO[C@@H](C)C1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231640 815632706 /nfs/dbraw/zinc/63/27/06/815632706.db2.gz NGOGOUGKDSNMHI-RYUDHWBXSA-N 1 0 278.352 2.493 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001173210311 815635630 /nfs/dbraw/zinc/63/56/30/815635630.db2.gz ISVLTMPNMUFDIZ-JTNHKYCSSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)O ZINC001173214627 815636516 /nfs/dbraw/zinc/63/65/16/815636516.db2.gz CYRXKKZQGRDAOQ-NSHDSACASA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])cn1 ZINC001173214380 815636769 /nfs/dbraw/zinc/63/67/69/815636769.db2.gz BGJSFBJQRYLNNY-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO Cc1ncn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CC[NH3+] ZINC001173213213 815636840 /nfs/dbraw/zinc/63/68/40/815636840.db2.gz GRKKVOBLVLVKKV-LLVKDONJSA-N 1 0 288.351 2.405 20 5 CEBDRO CC[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001178856215 816808470 /nfs/dbraw/zinc/80/84/70/816808470.db2.gz JFAOMEYZNPQFTR-JTQLQIEISA-N 1 0 297.380 2.116 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H](O)C(F)F ZINC000601298716 346815026 /nfs/dbraw/zinc/81/50/26/346815026.db2.gz JKPMFSJJJOEDBP-PWSUYJOCSA-N 1 0 286.278 2.188 20 5 CEBDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000121400824 365564380 /nfs/dbraw/zinc/56/43/80/365564380.db2.gz NXUVMDWIUKPTAU-CQSZACIVSA-N 1 0 279.340 2.162 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000449131011 282112256 /nfs/dbraw/zinc/11/22/56/282112256.db2.gz JOCYCGBFVMUMIF-GXTWGEPZSA-N 1 0 289.379 2.352 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000079769197 343990137 /nfs/dbraw/zinc/99/01/37/343990137.db2.gz GWWOBYZPTOEPRE-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(=O)N1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000035011686 361804587 /nfs/dbraw/zinc/80/45/87/361804587.db2.gz MRODBMDPNTXKAU-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337703118 214225699 /nfs/dbraw/zinc/22/56/99/214225699.db2.gz HAJURDIXHOGNPK-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190705 282136460 /nfs/dbraw/zinc/13/64/60/282136460.db2.gz NNGZCIGRXDTLGW-WCQYABFASA-N 1 0 298.408 2.229 20 5 CEBDRO C[NH+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000125321438 187179696 /nfs/dbraw/zinc/17/96/96/187179696.db2.gz HYVHWXDQBUIQNL-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010514 361881849 /nfs/dbraw/zinc/88/18/49/361881849.db2.gz CZLNQRNDDPECRW-CQSZACIVSA-N 1 0 293.367 2.408 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080463956 344010598 /nfs/dbraw/zinc/01/05/98/344010598.db2.gz KKFKKXQXGPEJPH-WCQYABFASA-N 1 0 289.335 2.408 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000449313311 282184041 /nfs/dbraw/zinc/18/40/41/282184041.db2.gz OSLHZHNHEHAZIP-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000096478398 529512902 /nfs/dbraw/zinc/51/29/02/529512902.db2.gz OOCFEKOITVNQQS-CYBMUJFWSA-N 1 0 252.314 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000200114331 539236005 /nfs/dbraw/zinc/23/60/05/539236005.db2.gz LYTKOCJYVPMKTN-UHFFFAOYSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000005515608 343354532 /nfs/dbraw/zinc/35/45/32/343354532.db2.gz CXVAHXOFRPUVFY-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038097344 343433566 /nfs/dbraw/zinc/43/35/66/343433566.db2.gz MTWIZRZMYHTCQZ-GFCCVEGCSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109327 343447729 /nfs/dbraw/zinc/44/77/29/343447729.db2.gz UVGFCNXHNVVALI-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000043588153 343465194 /nfs/dbraw/zinc/46/51/94/343465194.db2.gz HPUQXGUXYZMBKL-NSHDSACASA-N 1 0 277.324 2.313 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH2+]C ZINC000415766840 529730519 /nfs/dbraw/zinc/73/05/19/529730519.db2.gz SWWMNKFGFCIHBN-SNVBAGLBSA-N 1 0 294.355 2.134 20 5 CEBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055538870 343605740 /nfs/dbraw/zinc/60/57/40/343605740.db2.gz GDUGGJACKAVGHI-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057706272 343635530 /nfs/dbraw/zinc/63/55/30/343635530.db2.gz RQILUWPDDRQZAE-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000057839456 343638930 /nfs/dbraw/zinc/63/89/30/343638930.db2.gz RZLAVYVJUWTUEL-UHFFFAOYSA-N 1 0 283.357 2.104 20 5 CEBDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449589378 282294568 /nfs/dbraw/zinc/29/45/68/282294568.db2.gz JZDLKNZDDUOTNG-VHSXEESVSA-N 1 0 293.367 2.358 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000066140375 343708196 /nfs/dbraw/zinc/70/81/96/343708196.db2.gz SVENDEXYLWBICP-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000351518962 219112448 /nfs/dbraw/zinc/11/24/48/219112448.db2.gz SWUYODJNTHEIRZ-LSDHHAIUSA-N 1 0 294.351 2.114 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072924459 343815005 /nfs/dbraw/zinc/81/50/05/343815005.db2.gz YJLAAAVEMMGRNN-CYBMUJFWSA-N 1 0 252.314 2.355 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000075651196 343861416 /nfs/dbraw/zinc/86/14/16/343861416.db2.gz LNRXTLXYWGMDKT-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCCO)C1 ZINC000075745432 343865142 /nfs/dbraw/zinc/86/51/42/343865142.db2.gz PAIYHIYTJGIKQD-OLZOCXBDSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCCO)C1 ZINC000075745430 343865198 /nfs/dbraw/zinc/86/51/98/343865198.db2.gz PAIYHIYTJGIKQD-STQMWFEESA-N 1 0 294.351 2.129 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078563034 343957351 /nfs/dbraw/zinc/95/73/51/343957351.db2.gz YRYBNAOKMTWWMR-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000088718678 344112874 /nfs/dbraw/zinc/11/28/74/344112874.db2.gz OLPJIWFNNJUQTD-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc[nH]c2)cc1 ZINC000086253451 344098611 /nfs/dbraw/zinc/09/86/11/344098611.db2.gz GXVDRNLAUDYTEB-UHFFFAOYSA-N 1 0 261.281 2.092 20 5 CEBDRO CCC[C@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606092 344140952 /nfs/dbraw/zinc/14/09/52/344140952.db2.gz SIABZYVLGOJTGT-AWEZNQCLSA-N 1 0 294.351 2.035 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000092657463 344198746 /nfs/dbraw/zinc/19/87/46/344198746.db2.gz ZXWQUFAYOSLAQD-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO CCc1nn(C)c(NC[C@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000092829875 344205256 /nfs/dbraw/zinc/20/52/56/344205256.db2.gz QTDCQMXQXWWTMG-LLVKDONJSA-N 1 0 295.387 2.177 20 5 CEBDRO CN(C)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930630 344246460 /nfs/dbraw/zinc/24/64/60/344246460.db2.gz RTOAUCPJMQNZPC-UHFFFAOYSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049558720 362372331 /nfs/dbraw/zinc/37/23/31/362372331.db2.gz AENXREHGILCFQM-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000126380275 344323819 /nfs/dbraw/zinc/32/38/19/344323819.db2.gz RGVHAGBVOOJQQL-JTQLQIEISA-N 1 0 252.314 2.264 20 5 CEBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000130339365 344352029 /nfs/dbraw/zinc/35/20/29/344352029.db2.gz LUXRZWPLQRFIEY-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CO ZINC000151740703 344423022 /nfs/dbraw/zinc/42/30/22/344423022.db2.gz UHKFUFBMZZEDLH-ONGXEEELSA-N 1 0 252.314 2.182 20 5 CEBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484242 344398289 /nfs/dbraw/zinc/39/82/89/344398289.db2.gz QKONOSBDUSCMSB-CYBMUJFWSA-N 1 0 291.351 2.314 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161460199 344464272 /nfs/dbraw/zinc/46/42/72/344464272.db2.gz RDXKUKRXXDNHEO-WDEREUQCSA-N 1 0 297.742 2.248 20 5 CEBDRO CS[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000162691537 344467910 /nfs/dbraw/zinc/46/79/10/344467910.db2.gz QOFABHSRDSQQBM-JTQLQIEISA-N 1 0 254.355 2.478 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000211077502 344531024 /nfs/dbraw/zinc/53/10/24/344531024.db2.gz DSIPBUISWRGNMU-JTQLQIEISA-N 1 0 250.298 2.018 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000226453322 344549740 /nfs/dbraw/zinc/54/97/40/344549740.db2.gz NBFHGIOOZTUOLV-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000226734077 344550968 /nfs/dbraw/zinc/55/09/68/344550968.db2.gz AOROVKBPSZADIT-TVYUQYBPSA-N 1 0 264.325 2.405 20 5 CEBDRO Cc1c(CN2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177205 344558913 /nfs/dbraw/zinc/55/89/13/344558913.db2.gz VKZUKEAGSZJXKG-MFKMUULPSA-N 1 0 263.341 2.215 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000228560333 344560985 /nfs/dbraw/zinc/56/09/85/344560985.db2.gz AYIFWXJYONQRBF-SNVBAGLBSA-N 1 0 260.253 2.069 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812855 362475166 /nfs/dbraw/zinc/47/51/66/362475166.db2.gz DKJUMKYEYLIHCY-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000053066745 362480057 /nfs/dbraw/zinc/48/00/57/362480057.db2.gz HLTWSNXPFPPGFW-UHFFFAOYSA-N 1 0 258.343 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CCCO3)nc2c1 ZINC000602511292 347062031 /nfs/dbraw/zinc/06/20/31/347062031.db2.gz NYVOVUOHSQMCFM-LLVKDONJSA-N 1 0 291.307 2.395 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000248566311 344623611 /nfs/dbraw/zinc/62/36/11/344623611.db2.gz KVRRFHPBTRPVAF-PJXYFTJBSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252861275 344642401 /nfs/dbraw/zinc/64/24/01/344642401.db2.gz NJTRPTMUUYFPLE-FPMFFAJLSA-N 1 0 275.352 2.467 20 5 CEBDRO CO[C@H](C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527766 347067093 /nfs/dbraw/zinc/06/70/93/347067093.db2.gz KXZIKJPRFRQROZ-SECBINFHSA-N 1 0 279.296 2.251 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000305741367 344710834 /nfs/dbraw/zinc/71/08/34/344710834.db2.gz ZRBOVFTXKRTQGI-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000327965698 344754703 /nfs/dbraw/zinc/75/47/03/344754703.db2.gz DTLWPDNXGHUJLU-SWLSCSKDSA-N 1 0 278.352 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCOC3)nc2c1 ZINC000602540519 347071138 /nfs/dbraw/zinc/07/11/38/347071138.db2.gz OFYCAATXOHUKSO-VIFPVBQESA-N 1 0 277.280 2.005 20 5 CEBDRO CCC[N@@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401156498 344866407 /nfs/dbraw/zinc/86/64/07/344866407.db2.gz IPQDKCIJGOKBRE-JTQLQIEISA-N 1 0 268.292 2.025 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000404549078 344881405 /nfs/dbraw/zinc/88/14/05/344881405.db2.gz MBWRISBWDAFWMG-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000584707669 344978350 /nfs/dbraw/zinc/97/83/50/344978350.db2.gz JLTLYLAOQZDGLW-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000586773525 345020243 /nfs/dbraw/zinc/02/02/43/345020243.db2.gz QDCIZLYHCDUIQE-CYBMUJFWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783892 345021489 /nfs/dbraw/zinc/02/14/89/345021489.db2.gz HCGWVRPVJZABPA-MWLCHTKSSA-N 1 0 278.308 2.254 20 5 CEBDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783890 345021846 /nfs/dbraw/zinc/02/18/46/345021846.db2.gz HCGWVRPVJZABPA-GXSJLCMTSA-N 1 0 278.308 2.254 20 5 CEBDRO Cc1ccnc(N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590568191 345145964 /nfs/dbraw/zinc/14/59/64/345145964.db2.gz ZIJFDEFJYSOMAF-UHFFFAOYSA-N 1 0 290.367 2.220 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591442858 345255976 /nfs/dbraw/zinc/25/59/76/345255976.db2.gz BDISTZBBKFJGIR-STQMWFEESA-N 1 0 298.346 2.189 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591270322 345236492 /nfs/dbraw/zinc/23/64/92/345236492.db2.gz KFTSRQXZSJACJN-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591298942 345237728 /nfs/dbraw/zinc/23/77/28/345237728.db2.gz FVCIDOOISZTGPF-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439436 345254950 /nfs/dbraw/zinc/25/49/50/345254950.db2.gz VBFSLHWMOIDNMO-KOLCDFICSA-N 1 0 281.743 2.436 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCNC1CC1)C1CC1 ZINC000591577322 345266107 /nfs/dbraw/zinc/26/61/07/345266107.db2.gz PVAUOPZKJAPVQO-HNNXBMFYSA-N 1 0 289.379 2.258 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677256 345273601 /nfs/dbraw/zinc/27/36/01/345273601.db2.gz CYVMXQFSFGUGLA-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO CSCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591740839 345276680 /nfs/dbraw/zinc/27/66/80/345276680.db2.gz RUVBMWZGUCBEDB-UHFFFAOYSA-N 1 0 297.380 2.266 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000592380630 345348024 /nfs/dbraw/zinc/34/80/24/345348024.db2.gz WVPGCKAPHQBGHQ-CBHWHFHUSA-N 1 0 262.309 2.375 20 5 CEBDRO CC(C)[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592432534 345352589 /nfs/dbraw/zinc/35/25/89/345352589.db2.gz POWXZRRPDDHLGG-LLVKDONJSA-N 1 0 269.370 2.086 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592432499 345352619 /nfs/dbraw/zinc/35/26/19/345352619.db2.gz NGNUVHFMLHIYPI-OAHLLOKOSA-N 1 0 277.368 2.333 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592432852 345352923 /nfs/dbraw/zinc/35/29/23/345352923.db2.gz ZBWIJIDFUOCRQB-BBZUXEQDSA-N 1 0 287.363 2.292 20 5 CEBDRO CC1(C)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[NH2+]1 ZINC000592468768 345357749 /nfs/dbraw/zinc/35/77/49/345357749.db2.gz PZDFRPMKDUKTMA-UHFFFAOYSA-N 1 0 290.367 2.057 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000592485250 345359637 /nfs/dbraw/zinc/35/96/37/345359637.db2.gz UENRFRGOWSWSHB-CQSZACIVSA-N 1 0 293.367 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000592493891 345360063 /nfs/dbraw/zinc/36/00/63/345360063.db2.gz HNRAQRKPABBUTG-LBPRGKRZSA-N 1 0 275.352 2.169 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)c1 ZINC000097934195 232189421 /nfs/dbraw/zinc/18/94/21/232189421.db2.gz KNUQYSUMHWKSMS-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182730 345450354 /nfs/dbraw/zinc/45/03/54/345450354.db2.gz BIBFARNGGUDFIX-WFASDCNBSA-N 1 0 294.351 2.177 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295107992 199348066 /nfs/dbraw/zinc/34/80/66/199348066.db2.gz UQLGYUDLWXKZCR-SNVBAGLBSA-N 1 0 282.340 2.243 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592746475 345392417 /nfs/dbraw/zinc/39/24/17/345392417.db2.gz YOIIJGFYWLVLIX-VXGBXAGGSA-N 1 0 291.351 2.490 20 5 CEBDRO Cc1nc(N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593517929 345501960 /nfs/dbraw/zinc/50/19/60/345501960.db2.gz VCYYBSVGVOWFTB-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1cnc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000593515786 345501971 /nfs/dbraw/zinc/50/19/71/345501971.db2.gz KFQQZVJHENGHLF-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718720 345526451 /nfs/dbraw/zinc/52/64/51/345526451.db2.gz PYVFTRRUUQZVBE-GHMZBOCLSA-N 1 0 270.304 2.274 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H](CO)CCF)C1CC1 ZINC000593718531 345526722 /nfs/dbraw/zinc/52/67/22/345526722.db2.gz IKMCFSKYHIKGTI-KGLIPLIRSA-N 1 0 296.342 2.226 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)CC1CC1 ZINC000594499073 345639132 /nfs/dbraw/zinc/63/91/32/345639132.db2.gz AGKUYAJLEBGTCH-FZMZJTMJSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000594495082 345638200 /nfs/dbraw/zinc/63/82/00/345638200.db2.gz NZKISAUZEATWDC-ZWNOBZJWSA-N 1 0 263.341 2.122 20 5 CEBDRO CCN(CCC[NH+](CC)CC)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295118316 199354813 /nfs/dbraw/zinc/35/48/13/199354813.db2.gz WKAMHWKSDHJPHU-UHFFFAOYSA-N 1 0 295.387 2.251 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000595105080 345742632 /nfs/dbraw/zinc/74/26/32/345742632.db2.gz WZASCFQEWNPNOP-CHIMOYNISA-N 1 0 276.336 2.430 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918549 345701490 /nfs/dbraw/zinc/70/14/90/345701490.db2.gz BUJKHVRLNZTGBB-GXTWGEPZSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000594929449 345706051 /nfs/dbraw/zinc/70/60/51/345706051.db2.gz JYVJVNRBWJZQGD-CHWSQXEVSA-N 1 0 264.325 2.294 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594968707 345719691 /nfs/dbraw/zinc/71/96/91/345719691.db2.gz IKPBGFJAYGUOMQ-AULYBMBSSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000595018086 345728436 /nfs/dbraw/zinc/72/84/36/345728436.db2.gz PTZNTINSAQKYJU-WDEREUQCSA-N 1 0 280.324 2.291 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023558 345729732 /nfs/dbraw/zinc/72/97/32/345729732.db2.gz CWBPCPLCSKURBT-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCCO ZINC000595055800 345736174 /nfs/dbraw/zinc/73/61/74/345736174.db2.gz ZTWHCYWPUFSAGB-LLVKDONJSA-N 1 0 282.340 2.417 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560337 345813953 /nfs/dbraw/zinc/81/39/53/345813953.db2.gz ARIALVDNRCCXCH-NEPJUHHUSA-N 1 0 295.339 2.282 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595406924 345775159 /nfs/dbraw/zinc/77/51/59/345775159.db2.gz CXPNQIDRFBLJRU-UHFFFAOYSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000595509177 345799669 /nfs/dbraw/zinc/79/96/69/345799669.db2.gz DAWNIRZFVOOYJB-VIFPVBQESA-N 1 0 270.304 2.325 20 5 CEBDRO CC(C)=CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595523748 345803369 /nfs/dbraw/zinc/80/33/69/345803369.db2.gz LRSPXMOYBABZEZ-UHFFFAOYSA-N 1 0 290.367 2.468 20 5 CEBDRO CO[C@@]1(CO)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664556 345841901 /nfs/dbraw/zinc/84/19/01/345841901.db2.gz ZXLGOGXJHYOSIU-DOMZBBRYSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1COCCO1 ZINC000595742195 345864419 /nfs/dbraw/zinc/86/44/19/345864419.db2.gz PEBHLHRSZRXHLA-NWDGAFQWSA-N 1 0 280.324 2.003 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595766687 345871020 /nfs/dbraw/zinc/87/10/20/345871020.db2.gz YWZKPOIZZAKLIZ-UKRRQHHQSA-N 1 0 294.351 2.113 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595808611 345880368 /nfs/dbraw/zinc/88/03/68/345880368.db2.gz DHTNWWWZGMVSAK-ZYHUDNBSSA-N 1 0 290.319 2.223 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595872643 345902872 /nfs/dbraw/zinc/90/28/72/345902872.db2.gz KIXYMAZKDPLJLY-BXUZGUMPSA-N 1 0 264.325 2.045 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595873716 345903826 /nfs/dbraw/zinc/90/38/26/345903826.db2.gz MTBFTSSCDMXWPJ-NHYWBVRUSA-N 1 0 294.351 2.054 20 5 CEBDRO CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595916441 345912914 /nfs/dbraw/zinc/91/29/14/345912914.db2.gz UAHWGUPKYDGITH-UHFFFAOYSA-N 1 0 289.335 2.408 20 5 CEBDRO Cc1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595950243 345917438 /nfs/dbraw/zinc/91/74/38/345917438.db2.gz KDYCCVOVXLANNK-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438616 232279656 /nfs/dbraw/zinc/27/96/56/232279656.db2.gz HUMCPHFIXLCROS-PWSUYJOCSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CN1C1CC1 ZINC000596156643 345954454 /nfs/dbraw/zinc/95/44/54/345954454.db2.gz QQJSFJLZEOWJND-IUCAKERBSA-N 1 0 296.758 2.102 20 5 CEBDRO Cc1noc(CSCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000596070667 345932626 /nfs/dbraw/zinc/93/26/26/345932626.db2.gz HSQURNIJJMXZMX-UHFFFAOYSA-N 1 0 271.342 2.124 20 5 CEBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])s1 ZINC000596259736 345983299 /nfs/dbraw/zinc/98/32/99/345983299.db2.gz VSQOOAFDYRNSSN-LLVKDONJSA-N 1 0 299.396 2.223 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302083 187362418 /nfs/dbraw/zinc/36/24/18/187362418.db2.gz MPYGUBXBCAQBJM-OLZOCXBDSA-N 1 0 264.325 2.152 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596452453 346027715 /nfs/dbraw/zinc/02/77/15/346027715.db2.gz DPLARVGATTYQGZ-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCCc2n[nH]cc2C1 ZINC000596594143 346062022 /nfs/dbraw/zinc/06/20/22/346062022.db2.gz PKGOBXYGGYZOFB-UHFFFAOYSA-N 1 0 272.308 2.266 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000597701583 346218764 /nfs/dbraw/zinc/21/87/64/346218764.db2.gz UUUCRRUDTIVYLB-YPMHNXCESA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cs1 ZINC000336788466 365808873 /nfs/dbraw/zinc/80/88/73/365808873.db2.gz PITSIMCXCOQXKJ-MWLCHTKSSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597994000 346264989 /nfs/dbraw/zinc/26/49/89/346264989.db2.gz WWUFUDXLNSQYOX-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992892 346265275 /nfs/dbraw/zinc/26/52/75/346265275.db2.gz OXQCCKAUXSUUHW-LBPRGKRZSA-N 1 0 293.367 2.282 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598465132 346361048 /nfs/dbraw/zinc/36/10/48/346361048.db2.gz DNPVMRGWKCMIKW-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535935 346371806 /nfs/dbraw/zinc/37/18/06/346371806.db2.gz LSRORSWSBCKPLP-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062161082 362713585 /nfs/dbraw/zinc/71/35/85/362713585.db2.gz YIUQSHOIJVIUAP-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000598682542 346400309 /nfs/dbraw/zinc/40/03/09/346400309.db2.gz OLLFDRGKXFKESW-FZMZJTMJSA-N 1 0 279.315 2.047 20 5 CEBDRO CCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351358 362717501 /nfs/dbraw/zinc/71/75/01/362717501.db2.gz ATSDRTRJAIOINI-ZDUSSCGKSA-N 1 0 252.314 2.360 20 5 CEBDRO CC(C)c1ccc(C[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000599011515 346445969 /nfs/dbraw/zinc/44/59/69/346445969.db2.gz JUQHHDQGGYIBOG-UHFFFAOYSA-N 1 0 264.325 2.454 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990472 346442720 /nfs/dbraw/zinc/44/27/20/346442720.db2.gz FULUBEQDPNOIET-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599079906 346456530 /nfs/dbraw/zinc/45/65/30/346456530.db2.gz GQSNPTXJLZLKMF-WZRBSPASSA-N 1 0 294.351 2.415 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599079905 346456583 /nfs/dbraw/zinc/45/65/83/346456583.db2.gz GQSNPTXJLZLKMF-GMXVVIOVSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1COC1 ZINC000599080776 346457406 /nfs/dbraw/zinc/45/74/06/346457406.db2.gz KBXIDVCHLAAFKQ-SNVBAGLBSA-N 1 0 250.298 2.200 20 5 CEBDRO CCC(CC)[NH2+]CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000599098459 346459703 /nfs/dbraw/zinc/45/97/03/346459703.db2.gz VIIMGMKZNZQYRS-UHFFFAOYSA-N 1 0 286.763 2.255 20 5 CEBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000599097463 346459790 /nfs/dbraw/zinc/45/97/90/346459790.db2.gz ISCQVNYLWVZTER-UHFFFAOYSA-N 1 0 283.376 2.310 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126398 346463886 /nfs/dbraw/zinc/46/38/86/346463886.db2.gz GGRLOJCOVQSWKV-GFCCVEGCSA-N 1 0 293.371 2.147 20 5 CEBDRO CO[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336795748 365818251 /nfs/dbraw/zinc/81/82/51/365818251.db2.gz MZLMIJSIXIDWHX-VIFPVBQESA-N 1 0 256.277 2.249 20 5 CEBDRO COc1ccc(CN2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063196014 362758501 /nfs/dbraw/zinc/75/85/01/362758501.db2.gz AQWIUBBJGBRLIL-AAEUAGOBSA-N 1 0 293.367 2.305 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599589362 346542905 /nfs/dbraw/zinc/54/29/05/346542905.db2.gz RVSJGHDCCAYMJS-WDEREUQCSA-N 1 0 292.339 2.165 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000085635237 179109145 /nfs/dbraw/zinc/10/91/45/179109145.db2.gz FOSKLOPUSMGQPL-MCIONIFRSA-N 1 0 276.336 2.498 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600310556 346633026 /nfs/dbraw/zinc/63/30/26/346633026.db2.gz JXNUHUSECPXOIK-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810053 365848794 /nfs/dbraw/zinc/84/87/94/365848794.db2.gz GYBXBBFNMOBQCV-RNCFNFMXSA-N 1 0 268.288 2.391 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712228 346675662 /nfs/dbraw/zinc/67/56/62/346675662.db2.gz UZUSYJKSYFQIAL-UKRRQHHQSA-N 1 0 293.367 2.014 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600715704 346676501 /nfs/dbraw/zinc/67/65/01/346676501.db2.gz VDUSGINXWIOFTL-CQSZACIVSA-N 1 0 281.331 2.164 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000600715590 346676571 /nfs/dbraw/zinc/67/65/71/346676571.db2.gz SZBRRSQTJZLWRE-AWEZNQCLSA-N 1 0 263.341 2.025 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000600716609 346677125 /nfs/dbraw/zinc/67/71/25/346677125.db2.gz ZIVLPQNSPWOOMO-CQSZACIVSA-N 1 0 263.341 2.025 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3COCC[NH2+]3)c2)cn1 ZINC000600789506 346690528 /nfs/dbraw/zinc/69/05/28/346690528.db2.gz TVBFLGZJDOBIBK-AWEZNQCLSA-N 1 0 285.303 2.318 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000601120137 346759340 /nfs/dbraw/zinc/75/93/40/346759340.db2.gz GFSPJELKXJFQDB-LLVKDONJSA-N 1 0 294.330 2.051 20 5 CEBDRO C[N@H+]1CC=C(CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601138452 346766179 /nfs/dbraw/zinc/76/61/79/346766179.db2.gz TUZSLRFRHUSBFF-UHFFFAOYSA-N 1 0 298.346 2.239 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236904419 370650962 /nfs/dbraw/zinc/65/09/62/370650962.db2.gz URAZYYLNYWZBGL-CHIMOYNISA-N 1 0 293.367 2.454 20 5 CEBDRO C[N@@H+]1CCCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601108428 346755034 /nfs/dbraw/zinc/75/50/34/346755034.db2.gz HBSPIHMQFCPHBY-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000602697089 347153377 /nfs/dbraw/zinc/15/33/77/347153377.db2.gz UWUNGDJTSDNZBX-GFCCVEGCSA-N 1 0 299.321 2.066 20 5 CEBDRO CC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602666313 347132273 /nfs/dbraw/zinc/13/22/73/347132273.db2.gz HCCNNVCQCGBVHK-SNVBAGLBSA-N 1 0 279.296 2.251 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000602783308 347196327 /nfs/dbraw/zinc/19/63/27/347196327.db2.gz KRRPLDFYVUIIOB-LBPRGKRZSA-N 1 0 298.412 2.173 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783202 347196365 /nfs/dbraw/zinc/19/63/65/347196365.db2.gz NOIFHGQTOHTUQN-WZRBSPASSA-N 1 0 278.356 2.481 20 5 CEBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784171 347197202 /nfs/dbraw/zinc/19/72/02/347197202.db2.gz QNTGOHJWRXXKRC-PWSUYJOCSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[C@]1(C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787154 347198222 /nfs/dbraw/zinc/19/82/22/347198222.db2.gz ITCBFVLNJUHCJI-CYBMUJFWSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000602787512 347198296 /nfs/dbraw/zinc/19/82/96/347198296.db2.gz ZCVDMDDYDWPRBJ-MNOVXSKESA-N 1 0 266.345 2.220 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796765 347202688 /nfs/dbraw/zinc/20/26/88/347202688.db2.gz CSFMGCJSGUOFOZ-NXEZZACHSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2)CC1 ZINC000602808828 347208316 /nfs/dbraw/zinc/20/83/16/347208316.db2.gz ZXLGVAWWYLACRY-UHFFFAOYSA-N 1 0 286.335 2.379 20 5 CEBDRO CC1(C)COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000064247769 362783534 /nfs/dbraw/zinc/78/35/34/362783534.db2.gz HETGCOHJUDDGTD-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602724434 347172302 /nfs/dbraw/zinc/17/23/02/347172302.db2.gz SOSWTWZXWQFFSX-KGLIPLIRSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602760721 347187040 /nfs/dbraw/zinc/18/70/40/347187040.db2.gz QZWIWEWPFWVIOS-SNVBAGLBSA-N 1 0 268.361 2.442 20 5 CEBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602932452 347251185 /nfs/dbraw/zinc/25/11/85/347251185.db2.gz XYGIDPGIJKKAET-DOMZBBRYSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602844053 347221758 /nfs/dbraw/zinc/22/17/58/347221758.db2.gz YKHDKWXBSHPWSW-GXFFZTMASA-N 1 0 266.345 2.387 20 5 CEBDRO CC[C@H](C)[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602883834 347238055 /nfs/dbraw/zinc/23/80/55/347238055.db2.gz NEDFNDBZWNOWFJ-JTQLQIEISA-N 1 0 254.334 2.220 20 5 CEBDRO CCc1nocc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000339287115 215066456 /nfs/dbraw/zinc/06/64/56/215066456.db2.gz YQJKSLJHSMZOKW-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO CC(C)OCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965466 347258595 /nfs/dbraw/zinc/25/85/95/347258595.db2.gz GIQAJQXWDXKPBY-OAHLLOKOSA-N 1 0 296.367 2.207 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603160250 347300118 /nfs/dbraw/zinc/30/01/18/347300118.db2.gz GBOLEMCZSVCYLT-ZDUSSCGKSA-N 1 0 289.339 2.281 20 5 CEBDRO C[C@@H](C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000603056049 347277935 /nfs/dbraw/zinc/27/79/35/347277935.db2.gz QDPDTGOAEOANAO-NSHDSACASA-N 1 0 268.361 2.405 20 5 CEBDRO CC[C@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186109 347303310 /nfs/dbraw/zinc/30/33/10/347303310.db2.gz OXUOQBNPAZQHNR-SKDRFNHKSA-N 1 0 275.312 2.205 20 5 CEBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000608900437 347623233 /nfs/dbraw/zinc/62/32/33/347623233.db2.gz LCSSELGKECNNHG-UHFFFAOYSA-N 1 0 299.246 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ncc[nH]2)c1 ZINC000610150882 347661954 /nfs/dbraw/zinc/66/19/54/347661954.db2.gz FSNYUCIRZVFGQS-UHFFFAOYSA-N 1 0 298.249 2.209 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ccsc1[N+](=O)[O-] ZINC000609143720 347628624 /nfs/dbraw/zinc/62/86/24/347628624.db2.gz SMHCRPYTIOBLAK-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609513188 347641372 /nfs/dbraw/zinc/64/13/72/347641372.db2.gz JKJAYSIMOBDHNH-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@H]([NH2+]CCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000610420475 347679938 /nfs/dbraw/zinc/67/99/38/347679938.db2.gz RFSVJLAOMCYSDG-LBPRGKRZSA-N 1 0 287.319 2.107 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610512551 347688120 /nfs/dbraw/zinc/68/81/20/347688120.db2.gz ANKGUNDPTCGYGU-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000336840091 365912444 /nfs/dbraw/zinc/91/24/44/365912444.db2.gz PJPZJERAFIMYEE-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762784 347712885 /nfs/dbraw/zinc/71/28/85/347712885.db2.gz VIWXDRFRNXVMGB-DGCLKSJQSA-N 1 0 292.335 2.467 20 5 CEBDRO C[NH+](C)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411487 347775695 /nfs/dbraw/zinc/77/56/95/347775695.db2.gz FYMDTFISSHIFCC-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610990900 347727753 /nfs/dbraw/zinc/72/77/53/347727753.db2.gz UCHWDMPIQWXIMY-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092522 347739117 /nfs/dbraw/zinc/73/91/17/347739117.db2.gz XIASSDZOVYHJDF-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000336842720 365916613 /nfs/dbraw/zinc/91/66/13/365916613.db2.gz VCLZUHRBPRGHLE-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nccs2)cc1 ZINC000611439478 347780201 /nfs/dbraw/zinc/78/02/01/347780201.db2.gz TYJXGFZVEXBTQL-UHFFFAOYSA-N 1 0 279.321 2.220 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221674 347753363 /nfs/dbraw/zinc/75/33/63/347753363.db2.gz MEXBFGHZRKZXCA-RYUDHWBXSA-N 1 0 278.356 2.217 20 5 CEBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611479894 347783935 /nfs/dbraw/zinc/78/39/35/347783935.db2.gz SSHMBCMMZFPJBF-OAHLLOKOSA-N 1 0 296.367 2.205 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000612652188 347912924 /nfs/dbraw/zinc/91/29/24/347912924.db2.gz ALEJDZCDXWYPOL-CQSZACIVSA-N 1 0 289.335 2.408 20 5 CEBDRO COC[C@@H]1CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613380853 348036357 /nfs/dbraw/zinc/03/63/57/348036357.db2.gz SICVJIGSBITQSJ-NSHDSACASA-N 1 0 298.314 2.353 20 5 CEBDRO C[NH+]1CCC(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000066811719 362886294 /nfs/dbraw/zinc/88/62/94/362886294.db2.gz BKPJWNZGXNVDTE-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO COc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496350 348336425 /nfs/dbraw/zinc/33/64/25/348336425.db2.gz YMXFBFBAZNXQDA-QWRGUYRKSA-N 1 0 279.340 2.132 20 5 CEBDRO CC[NH+](CC)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000128902072 187398071 /nfs/dbraw/zinc/39/80/71/187398071.db2.gz QJOUWXXOGRGMCJ-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615834542 348396715 /nfs/dbraw/zinc/39/67/15/348396715.db2.gz KCOHFIJLJNKJQI-VNLLDLMDSA-N 1 0 287.363 2.149 20 5 CEBDRO CCNC(=O)CN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615836085 348396853 /nfs/dbraw/zinc/39/68/53/348396853.db2.gz PMZVBYXBLACYFL-XYOKQWHBSA-N 1 0 291.351 2.066 20 5 CEBDRO CC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000618157205 348887480 /nfs/dbraw/zinc/88/74/80/348887480.db2.gz RDCCKFMOIQPOMI-LLVKDONJSA-N 1 0 290.367 2.093 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531684 349194932 /nfs/dbraw/zinc/19/49/32/349194932.db2.gz VVLIKZBAKIUWGU-CYBMUJFWSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC23CC3)cc1 ZINC000619815017 349238147 /nfs/dbraw/zinc/23/81/47/349238147.db2.gz QDODLLRJBZTUCU-UHFFFAOYSA-N 1 0 292.335 2.229 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000271305621 191062537 /nfs/dbraw/zinc/06/25/37/191062537.db2.gz VNZSSZJTIRZDEV-DZGCQCFKSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093442 233336303 /nfs/dbraw/zinc/33/63/03/233336303.db2.gz RTHWCYYMQRLSLG-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000091959783 180292226 /nfs/dbraw/zinc/29/22/26/180292226.db2.gz AESBVZUXDLLUPL-SNVBAGLBSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647873 186309674 /nfs/dbraw/zinc/30/96/74/186309674.db2.gz PSXSVWLXVQEINC-JTQLQIEISA-N 1 0 292.339 2.186 20 5 CEBDRO Cc1c(CN2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000109804435 186273823 /nfs/dbraw/zinc/27/38/23/186273823.db2.gz SKBAVPSDHQSBTF-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000110846088 186328026 /nfs/dbraw/zinc/32/80/26/186328026.db2.gz IDFFBKUOTIOGBT-ZDUSSCGKSA-N 1 0 292.335 2.180 20 5 CEBDRO COc1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048874 186347997 /nfs/dbraw/zinc/34/79/97/186347997.db2.gz GDFVATPHFFXOPI-NSHDSACASA-N 1 0 279.340 2.357 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130996621 366012456 /nfs/dbraw/zinc/01/24/56/366012456.db2.gz SQQDQMJXTQYHOT-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291225728 197959232 /nfs/dbraw/zinc/95/92/32/197959232.db2.gz JUNOJJLLGQAOTP-AWEZNQCLSA-N 1 0 272.308 2.238 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794106 215343032 /nfs/dbraw/zinc/34/30/32/215343032.db2.gz JSJHYPRTAVXHKP-SNVBAGLBSA-N 1 0 292.257 2.306 20 5 CEBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000131176283 366027488 /nfs/dbraw/zinc/02/74/88/366027488.db2.gz RSYSPPWTZZJOEM-UHFFFAOYSA-N 1 0 256.327 2.315 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000123165109 187075222 /nfs/dbraw/zinc/07/52/22/187075222.db2.gz NIIPDWGTRUWYEX-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576280 363098205 /nfs/dbraw/zinc/09/82/05/363098205.db2.gz CLFKZVVENFFEEI-WCQYABFASA-N 1 0 291.351 2.071 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000133469509 187686765 /nfs/dbraw/zinc/68/67/65/187686765.db2.gz UAQXDPCQTBJIGW-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103404 198164619 /nfs/dbraw/zinc/16/46/19/198164619.db2.gz IEJZXPNMIDEFSC-OAHLLOKOSA-N 1 0 275.352 2.122 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261012 198221527 /nfs/dbraw/zinc/22/15/27/198221527.db2.gz YOWQAXOHFOSYJU-OAHLLOKOSA-N 1 0 293.342 2.262 20 5 CEBDRO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153740092 188100618 /nfs/dbraw/zinc/10/06/18/188100618.db2.gz AONKBKBNTZBMPD-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000155677268 188220789 /nfs/dbraw/zinc/22/07/89/188220789.db2.gz XTPJTHKXGDIADT-ZJUUUORDSA-N 1 0 297.380 2.115 20 5 CEBDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000292741815 198395566 /nfs/dbraw/zinc/39/55/66/198395566.db2.gz AMOPDYNFBBDUKN-AWEZNQCLSA-N 1 0 293.367 2.154 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000074318347 363323274 /nfs/dbraw/zinc/32/32/74/363323274.db2.gz JMBQFHLZNBDPJF-SECBINFHSA-N 1 0 279.340 2.218 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569728445 299215217 /nfs/dbraw/zinc/21/52/17/299215217.db2.gz NGDUDZWQUPTCMV-ZJUUUORDSA-N 1 0 279.340 2.013 20 5 CEBDRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550058 283031325 /nfs/dbraw/zinc/03/13/25/283031325.db2.gz QRKSKKNTFXHHDZ-OCCSQVGLSA-N 1 0 291.351 2.038 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170764861 188688234 /nfs/dbraw/zinc/68/82/34/188688234.db2.gz FZUUNXUJLZTUCT-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133523666 366232854 /nfs/dbraw/zinc/23/28/54/366232854.db2.gz QMYNBBRDOADCAI-UWVGGRQHSA-N 1 0 262.313 2.027 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451634409 283058938 /nfs/dbraw/zinc/05/89/38/283058938.db2.gz RDVVZDQMSKCNGS-DGCLKSJQSA-N 1 0 290.323 2.128 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451625780 283055635 /nfs/dbraw/zinc/05/56/35/283055635.db2.gz YEVQYPYFQLBQOR-DGCLKSJQSA-N 1 0 268.288 2.391 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cn1 ZINC000273675098 192258237 /nfs/dbraw/zinc/25/82/37/192258237.db2.gz YHDIWJLJPFZEOD-GFCCVEGCSA-N 1 0 293.371 2.451 20 5 CEBDRO C[N@H+](CCOCC1CC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338346146 366309036 /nfs/dbraw/zinc/30/90/36/366309036.db2.gz HEILFHIAJNGWPU-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000134445220 366324137 /nfs/dbraw/zinc/32/41/37/366324137.db2.gz STTAXEBHAGVCTP-KOLCDFICSA-N 1 0 250.298 2.349 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134550083 366337528 /nfs/dbraw/zinc/33/75/28/366337528.db2.gz FPWNCXPDCRZXGR-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134644401 366348687 /nfs/dbraw/zinc/34/86/87/366348687.db2.gz YQKGEWCTNXFIKS-GMXVVIOVSA-N 1 0 262.309 2.182 20 5 CEBDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892511 366369087 /nfs/dbraw/zinc/36/90/87/366369087.db2.gz OKPUBFAEYPQIRW-NSHDSACASA-N 1 0 279.340 2.018 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892628 366369419 /nfs/dbraw/zinc/36/94/19/366369419.db2.gz VLQUWNQIFWKINC-QWRGUYRKSA-N 1 0 291.351 2.221 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000362426637 283231164 /nfs/dbraw/zinc/23/11/64/283231164.db2.gz FJAPUKJKRSLPKW-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428812 199036376 /nfs/dbraw/zinc/03/63/76/199036376.db2.gz URMGKHKYQXZCMA-KXUCPTDWSA-N 1 0 267.329 2.251 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CC[NH2+]C2)o1 ZINC000414893825 236541559 /nfs/dbraw/zinc/54/15/59/236541559.db2.gz ZONHLLPTQAMCMD-LLVKDONJSA-N 1 0 287.319 2.306 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135203565 366408769 /nfs/dbraw/zinc/40/87/69/366408769.db2.gz VVOUUCHZVGRBIL-CMPLNLGQSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135229041 366412619 /nfs/dbraw/zinc/41/26/19/366412619.db2.gz AXMCQHASNHFBRC-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000414914181 236554514 /nfs/dbraw/zinc/55/45/14/236554514.db2.gz XKXPMESUZSFAAH-CQSZACIVSA-N 1 0 281.331 2.213 20 5 CEBDRO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000294870193 199223090 /nfs/dbraw/zinc/22/30/90/199223090.db2.gz PDQRLJGDUJHGKD-CYBMUJFWSA-N 1 0 291.351 2.165 20 5 CEBDRO Cc1ccc(C[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294897109 199237116 /nfs/dbraw/zinc/23/71/16/199237116.db2.gz WXNSCQRUJWXBQJ-UHFFFAOYSA-N 1 0 266.341 2.401 20 5 CEBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294945969 199264300 /nfs/dbraw/zinc/26/43/00/199264300.db2.gz CQFFAYYVZCXDHV-JTQLQIEISA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415581906 236682970 /nfs/dbraw/zinc/68/29/70/236682970.db2.gz OALXVOYMKPBPHF-NSHDSACASA-N 1 0 292.339 2.070 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626995 236687358 /nfs/dbraw/zinc/68/73/58/236687358.db2.gz AJKPGACKWWQJGA-SECBINFHSA-N 1 0 298.318 2.373 20 5 CEBDRO C[NH2+]CCSCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570925505 299286210 /nfs/dbraw/zinc/28/62/10/299286210.db2.gz CNFBZBNMBHSZEI-UHFFFAOYSA-N 1 0 294.336 2.097 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000079737628 363626602 /nfs/dbraw/zinc/62/66/02/363626602.db2.gz UIRADQDRPYASOF-LBPRGKRZSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417413401 237117222 /nfs/dbraw/zinc/11/72/22/237117222.db2.gz XVOISTODBCYGRN-QKCSRTOESA-N 1 0 264.325 2.029 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000579003773 366579771 /nfs/dbraw/zinc/57/97/71/366579771.db2.gz BJQYDTKZUDRAMJ-PSOPSSQASA-N 1 0 276.336 2.333 20 5 CEBDRO CC(=O)c1cc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341781704 216101366 /nfs/dbraw/zinc/10/13/66/216101366.db2.gz XFXLYLLOKNCBFP-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044558637 283500063 /nfs/dbraw/zinc/50/00/63/283500063.db2.gz PEZIZSWZFUNUBN-GFCCVEGCSA-N 1 0 267.304 2.047 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000453377998 283542777 /nfs/dbraw/zinc/54/27/77/283542777.db2.gz WEOVVBXPCVMQGA-GRYCIOLGSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000341931420 216157393 /nfs/dbraw/zinc/15/73/93/216157393.db2.gz LCTMUAOWYHSWBR-QWHCGFSZSA-N 1 0 292.383 2.395 20 5 CEBDRO O=C(NCCC[NH+]1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000298633496 200488263 /nfs/dbraw/zinc/48/82/63/200488263.db2.gz HCXHBHIMCPBAJT-UHFFFAOYSA-N 1 0 297.380 2.262 20 5 CEBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177875920 189075700 /nfs/dbraw/zinc/07/57/00/189075700.db2.gz NBPZDCSCPSBVLU-VXGBXAGGSA-N 1 0 291.351 2.288 20 5 CEBDRO CC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000178021326 189086710 /nfs/dbraw/zinc/08/67/10/189086710.db2.gz PKALYQJBKDONBJ-MFKMUULPSA-N 1 0 279.340 2.112 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375269 189111893 /nfs/dbraw/zinc/11/18/93/189111893.db2.gz GIRCRGOVCHFTOZ-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000299657470 200822873 /nfs/dbraw/zinc/82/28/73/200822873.db2.gz POHWIYMJXSQNFJ-JTQLQIEISA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000179872891 189225173 /nfs/dbraw/zinc/22/51/73/189225173.db2.gz SPGUKMDXQQAABR-NHYWBVRUSA-N 1 0 291.351 2.304 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342219907 216267036 /nfs/dbraw/zinc/26/70/36/216267036.db2.gz SCMMDFGVYPWLKJ-HZRUHFOJSA-N 1 0 278.352 2.462 20 5 CEBDRO C[C@@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180395659 189253305 /nfs/dbraw/zinc/25/33/05/189253305.db2.gz VSKXBLYADLQPRY-LLVKDONJSA-N 1 0 252.314 2.408 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000300421674 200897583 /nfs/dbraw/zinc/89/75/83/200897583.db2.gz BDHDCBLTQNXMES-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCCCO)C2CC2)c1 ZINC000152555715 366702562 /nfs/dbraw/zinc/70/25/62/366702562.db2.gz HXDVHHGXUBBFBS-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000181815711 189307438 /nfs/dbraw/zinc/30/74/38/189307438.db2.gz XDAARFOFSDUGTR-LLVKDONJSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000083896480 363789841 /nfs/dbraw/zinc/78/98/41/363789841.db2.gz QFYLQULZPKELPA-LBPRGKRZSA-N 1 0 277.324 2.374 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340256844 366820655 /nfs/dbraw/zinc/82/06/55/366820655.db2.gz XTRHBQUXDGWDHD-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301979176 201284526 /nfs/dbraw/zinc/28/45/26/201284526.db2.gz AEQHKWMNVLOSLX-UHFFFAOYSA-N 1 0 272.736 2.031 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CCC([NH2+]C2CC2)CC1 ZINC000302022139 201302697 /nfs/dbraw/zinc/30/26/97/201302697.db2.gz OKXGBGJKPXYQJW-UHFFFAOYSA-N 1 0 267.354 2.377 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+](C)C1CCCCC1 ZINC000029526833 361686471 /nfs/dbraw/zinc/68/64/71/361686471.db2.gz XPQMYNLECQARPZ-UHFFFAOYSA-N 1 0 295.387 2.395 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000185811941 189422306 /nfs/dbraw/zinc/42/23/06/189422306.db2.gz YAAUKICCFFCQLO-OOPCZODUSA-N 1 0 264.325 2.320 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302043913 201316394 /nfs/dbraw/zinc/31/63/94/201316394.db2.gz XFVKRYWBBZMBBC-SECBINFHSA-N 1 0 255.343 2.410 20 5 CEBDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000186401412 189438329 /nfs/dbraw/zinc/43/83/29/189438329.db2.gz QCOBBRTUFAXCGO-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818495 363871076 /nfs/dbraw/zinc/87/10/76/363871076.db2.gz ZZKORSZJPBGRBU-UWVGGRQHSA-N 1 0 252.314 2.405 20 5 CEBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513202 363975454 /nfs/dbraw/zinc/97/54/54/363975454.db2.gz ZHOJTJMEKNZZSF-GFCCVEGCSA-N 1 0 293.367 2.331 20 5 CEBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000275168275 192944585 /nfs/dbraw/zinc/94/45/85/192944585.db2.gz ALSVEIKDTPPEBR-RBSFLKMASA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181199 364046215 /nfs/dbraw/zinc/04/62/15/364046215.db2.gz DQDSOIRQQOLBBI-JQWIXIFHSA-N 1 0 289.335 2.009 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000103118794 364627319 /nfs/dbraw/zinc/62/73/19/364627319.db2.gz PHWZGGZWZWKKPF-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO C[C@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119008170 365199029 /nfs/dbraw/zinc/19/90/29/365199029.db2.gz BXEWFXYHBPJFML-SMDDNHRTSA-N 1 0 278.352 2.276 20 5 CEBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537325 193070032 /nfs/dbraw/zinc/07/00/32/193070032.db2.gz YFJSGCSSSSTNRW-AWEZNQCLSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000340436748 366883092 /nfs/dbraw/zinc/88/30/92/366883092.db2.gz PFTZKDYNISGIGR-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N(C)C)CCC1 ZINC000275614591 193086345 /nfs/dbraw/zinc/08/63/45/193086345.db2.gz NKUNKEAQSRYMAO-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160442636 367006865 /nfs/dbraw/zinc/00/68/65/367006865.db2.gz USUGHWKZIANSSK-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000583316233 367030450 /nfs/dbraw/zinc/03/04/50/367030450.db2.gz VBODRJDEOLTCAV-UHFFFAOYSA-N 1 0 293.367 2.235 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](O)C1)CCCC2 ZINC000583920963 367115557 /nfs/dbraw/zinc/11/55/57/367115557.db2.gz YOFBSAPUGOSLPJ-OSAQELSMSA-N 1 0 276.336 2.475 20 5 CEBDRO Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000161539163 367095135 /nfs/dbraw/zinc/09/51/35/367095135.db2.gz KRNGHMRTYNHXBE-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000343271770 367737903 /nfs/dbraw/zinc/73/79/03/367737903.db2.gz CIPDHILSMWKEHD-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC000173615642 367927600 /nfs/dbraw/zinc/92/76/00/367927600.db2.gz YCXXXVJFHQTULO-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174504664 368031589 /nfs/dbraw/zinc/03/15/89/368031589.db2.gz BMQXXVJYHOHHDZ-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275946101 193170744 /nfs/dbraw/zinc/17/07/44/193170744.db2.gz ZBQWKNVQVIAKAR-XYPYZODXSA-N 1 0 270.354 2.392 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346630629 368742871 /nfs/dbraw/zinc/74/28/71/368742871.db2.gz BXIMNQHCGBWOOZ-HJHHMULASA-N 1 0 275.352 2.292 20 5 CEBDRO CC1=CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000358162326 370931901 /nfs/dbraw/zinc/93/19/01/370931901.db2.gz HDWNKIYDQJZQPD-UHFFFAOYSA-N 1 0 275.352 2.336 20 5 CEBDRO [NH3+]C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000346670404 368761905 /nfs/dbraw/zinc/76/19/05/368761905.db2.gz USFSIKYJDXEBJP-HYXAFXHYSA-N 1 0 261.325 2.031 20 5 CEBDRO Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000186756478 369035127 /nfs/dbraw/zinc/03/51/27/369035127.db2.gz KTSYTWATFPOYNG-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c(F)c1 ZINC000349329639 369298703 /nfs/dbraw/zinc/29/87/03/369298703.db2.gz IIQQGSNWBGCVDB-JTQLQIEISA-N 1 0 296.220 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000349383964 369316190 /nfs/dbraw/zinc/31/61/90/369316190.db2.gz NOKLUDYELQIIKX-QMTHXVAHSA-N 1 0 264.325 2.106 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474255 369362177 /nfs/dbraw/zinc/36/21/77/369362177.db2.gz LXGNTFWDDGNCKR-NEPJUHHUSA-N 1 0 293.367 2.421 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205601 370951281 /nfs/dbraw/zinc/95/12/81/370951281.db2.gz RDWXOQCLMOHPGZ-NEPJUHHUSA-N 1 0 282.340 2.297 20 5 CEBDRO CC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516889 370972491 /nfs/dbraw/zinc/97/24/91/370972491.db2.gz UJSUACSTYSRIIE-JSGCOSHPSA-N 1 0 277.368 2.415 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267463 370982724 /nfs/dbraw/zinc/98/27/24/370982724.db2.gz QBFZJWLBMXKTGM-GDLCADMTSA-N 1 0 291.351 2.160 20 5 CEBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000189449700 369519141 /nfs/dbraw/zinc/51/91/41/369519141.db2.gz PSVUEPABVFNMKW-NSHDSACASA-N 1 0 292.257 2.340 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000231474247 189813617 /nfs/dbraw/zinc/81/36/17/189813617.db2.gz MQJVJYSCUONPRT-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914996 203384837 /nfs/dbraw/zinc/38/48/37/203384837.db2.gz TYOFYFLDNVQKIX-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000276271498 193266545 /nfs/dbraw/zinc/26/65/45/193266545.db2.gz TZEZVOSFHIWJBI-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000276276598 193268022 /nfs/dbraw/zinc/26/80/22/193268022.db2.gz FACLJXPFIDBCHQ-UHFFFAOYSA-N 1 0 295.314 2.012 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000189962571 369583175 /nfs/dbraw/zinc/58/31/75/369583175.db2.gz JPLUTTIEDBNDKV-JSGCOSHPSA-N 1 0 264.325 2.236 20 5 CEBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000276353761 193297575 /nfs/dbraw/zinc/29/75/75/193297575.db2.gz OGQDRVHQRIIHMW-UHFFFAOYSA-N 1 0 287.747 2.142 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000351925661 369656491 /nfs/dbraw/zinc/65/64/91/369656491.db2.gz FFRFCOCXYNIQBV-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187202 369689840 /nfs/dbraw/zinc/68/98/40/369689840.db2.gz WWHKPKKRZMQBOP-RYUDHWBXSA-N 1 0 294.351 2.207 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269473 369696459 /nfs/dbraw/zinc/69/64/59/369696459.db2.gz APCZWYPXOZXHMV-GHMZBOCLSA-N 1 0 264.325 2.329 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352700748 369845045 /nfs/dbraw/zinc/84/50/45/369845045.db2.gz UMNMQPNMQRVOLO-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192741065 369849102 /nfs/dbraw/zinc/84/91/02/369849102.db2.gz KRPZUPJNKKZXII-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000352810321 369887678 /nfs/dbraw/zinc/88/76/78/369887678.db2.gz MXKUZLIPJCUCFH-UHFFFAOYSA-N 1 0 296.298 2.309 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000352697298 369842479 /nfs/dbraw/zinc/84/24/79/369842479.db2.gz KSQVBNSEOFZGQE-LBPRGKRZSA-N 1 0 277.368 2.429 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000193638230 369965358 /nfs/dbraw/zinc/96/53/58/369965358.db2.gz QNCROSWPBRFBPU-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO CO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193735594 369976008 /nfs/dbraw/zinc/97/60/08/369976008.db2.gz XNCAIRDTWNIADA-LBPRGKRZSA-N 1 0 295.295 2.114 20 5 CEBDRO C[NH+](C)CCSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352903056 369942447 /nfs/dbraw/zinc/94/24/47/369942447.db2.gz QTOVWDRPPUCZKP-UHFFFAOYSA-N 1 0 280.353 2.266 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193458844 369944461 /nfs/dbraw/zinc/94/44/61/369944461.db2.gz NMXFSQVHFCPAAJ-LBPRGKRZSA-N 1 0 278.356 2.098 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000195508942 370135875 /nfs/dbraw/zinc/13/58/75/370135875.db2.gz VXBYWUKAYVNNSN-VIFPVBQESA-N 1 0 270.358 2.338 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223071470 370261044 /nfs/dbraw/zinc/26/10/44/370261044.db2.gz DLKSLNADTLEGGV-JQWIXIFHSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)n1 ZINC000227306896 370366020 /nfs/dbraw/zinc/36/60/20/370366020.db2.gz PUCVKLVJFLFAHN-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227650567 370378709 /nfs/dbraw/zinc/37/87/09/370378709.db2.gz NLMFPWGXWOHJTA-QMMMGPOBSA-N 1 0 272.736 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCC2)cc1F ZINC000228353013 370401854 /nfs/dbraw/zinc/40/18/54/370401854.db2.gz FTRMTJQWJQCMOB-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230161315 370442718 /nfs/dbraw/zinc/44/27/18/370442718.db2.gz OJYQBOIPWXLPHV-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000230640051 370461501 /nfs/dbraw/zinc/46/15/01/370461501.db2.gz OWOQMWPDXBDZSD-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000232236173 370503943 /nfs/dbraw/zinc/50/39/43/370503943.db2.gz RTOGKRKUVCSFKR-NSHDSACASA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236655503 370603452 /nfs/dbraw/zinc/60/34/52/370603452.db2.gz RLGZQZOEIMPZLN-VIFPVBQESA-N 1 0 299.758 2.351 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000236254181 370585944 /nfs/dbraw/zinc/58/59/44/370585944.db2.gz XGGRNTCTHUSBGS-ZDUSSCGKSA-N 1 0 292.339 2.234 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000236411434 370588819 /nfs/dbraw/zinc/58/88/19/370588819.db2.gz YSAOPYKDBMLUNA-JSGCOSHPSA-N 1 0 262.309 2.252 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252413034 371436097 /nfs/dbraw/zinc/43/60/97/371436097.db2.gz MRSYCLOQUCXSTL-HONMWMINSA-N 1 0 289.335 2.454 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](O)CC2)cs1 ZINC000252704591 371470930 /nfs/dbraw/zinc/47/09/30/371470930.db2.gz NSHPTTCPBMXVHG-MGCOHNPYSA-N 1 0 256.327 2.049 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000360959500 371562765 /nfs/dbraw/zinc/56/27/65/371562765.db2.gz GXPUPEVTYREZMK-NSHDSACASA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@H](O)CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255427747 371588812 /nfs/dbraw/zinc/58/88/12/371588812.db2.gz UOXCQWWRGVAURI-HWPRWLFBSA-N 1 0 264.325 2.311 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000261716360 371710737 /nfs/dbraw/zinc/71/07/37/371710737.db2.gz JESVKBLDHVPPGD-ZETCQYMHSA-N 1 0 296.714 2.449 20 5 CEBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361228728 371726959 /nfs/dbraw/zinc/72/69/59/371726959.db2.gz NMNJJCAEKRTFKD-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1c(CN[C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261674653 371699811 /nfs/dbraw/zinc/69/98/11/371699811.db2.gz GGLRHCJZIMXUQC-CQSZACIVSA-N 1 0 277.368 2.381 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000361652209 372003474 /nfs/dbraw/zinc/00/34/74/372003474.db2.gz FLAWMQLXUXXJQD-MWLCHTKSSA-N 1 0 284.743 2.308 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344182588 217088553 /nfs/dbraw/zinc/08/85/53/217088553.db2.gz ULNRLDILTRDPLT-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188580 217091415 /nfs/dbraw/zinc/09/14/15/217091415.db2.gz JSMHEMNUTRVNSW-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540766 372075639 /nfs/dbraw/zinc/07/56/39/372075639.db2.gz CCWJPZUYQSDRHE-CABZTGNLSA-N 1 0 298.774 2.420 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000287340306 376209551 /nfs/dbraw/zinc/20/95/51/376209551.db2.gz NAPRYYALYKZYMX-NSHDSACASA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268448451 372104833 /nfs/dbraw/zinc/10/48/33/372104833.db2.gz FLTCHKUESBAPKS-ZYHUDNBSSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965526 372148371 /nfs/dbraw/zinc/14/83/71/372148371.db2.gz GQEKQJLLQCKITO-LDYMZIIASA-N 1 0 274.267 2.180 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000268792929 372223591 /nfs/dbraw/zinc/22/35/91/372223591.db2.gz GWBFXRGMDYBDQV-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362379429 372339788 /nfs/dbraw/zinc/33/97/88/372339788.db2.gz RTCNKIMHHBUVIC-VXGBXAGGSA-N 1 0 291.351 2.348 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000270300108 372734503 /nfs/dbraw/zinc/73/45/03/372734503.db2.gz AMHFWVULPKBFRU-OLZOCXBDSA-N 1 0 299.371 2.216 20 5 CEBDRO CC[N@H+](CCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270753506 372934485 /nfs/dbraw/zinc/93/44/85/372934485.db2.gz VAIKHEYYIBGNFY-LLVKDONJSA-N 1 0 252.314 2.360 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000270996131 373054134 /nfs/dbraw/zinc/05/41/34/373054134.db2.gz YMQHOSVVDQBSPE-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)C1CC1 ZINC000271050820 373092751 /nfs/dbraw/zinc/09/27/51/373092751.db2.gz AIOJLZUCXGZFHG-HWKANZROSA-N 1 0 262.309 2.065 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)CO)cc1[N+](=O)[O-] ZINC000271142683 373140570 /nfs/dbraw/zinc/14/05/70/373140570.db2.gz OQNUWHDRGPRSSD-CMPLNLGQSA-N 1 0 282.340 2.415 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)O ZINC000344885556 217343748 /nfs/dbraw/zinc/34/37/48/217343748.db2.gz UGBMYCWCHCCULE-XFFZJAGNSA-N 1 0 264.325 2.359 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000274482861 373938659 /nfs/dbraw/zinc/93/86/59/373938659.db2.gz NAOWRUXLRRZKTO-UHFFFAOYSA-N 1 0 269.370 2.182 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274928018 374098813 /nfs/dbraw/zinc/09/88/13/374098813.db2.gz NNPWIYUGRODOKA-BPLDGKMQSA-N 1 0 294.351 2.185 20 5 CEBDRO COc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000277108433 374406505 /nfs/dbraw/zinc/40/65/05/374406505.db2.gz MTLMPEFYKROKTM-MRVPVSSYSA-N 1 0 271.292 2.105 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382437253 375186525 /nfs/dbraw/zinc/18/65/25/375186525.db2.gz WUYAMPAQOZPDQJ-PSASIEDQSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000387496375 375277597 /nfs/dbraw/zinc/27/75/97/375277597.db2.gz XBCQCDPMUQAYOU-PWSUYJOCSA-N 1 0 252.314 2.152 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000387339660 375273887 /nfs/dbraw/zinc/27/38/87/375273887.db2.gz DZSMOHNSNCUYAZ-BREBYQMCSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000408190038 375425393 /nfs/dbraw/zinc/42/53/93/375425393.db2.gz RTGCWHYJJAPTGK-SECBINFHSA-N 1 0 297.742 2.024 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408227078 375433674 /nfs/dbraw/zinc/43/36/74/375433674.db2.gz QXPXTRTXXXYUAL-SCZZXKLOSA-N 1 0 297.380 2.177 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282443544 375486647 /nfs/dbraw/zinc/48/66/47/375486647.db2.gz RZVMVOCMDKNQSS-GXTWGEPZSA-N 1 0 294.351 2.473 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000414118921 375795841 /nfs/dbraw/zinc/79/58/41/375795841.db2.gz ACPPZPMVIWZHOB-IJEWVQPXSA-N 1 0 290.363 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000414567171 375861027 /nfs/dbraw/zinc/86/10/27/375861027.db2.gz GJXLSBTXHBISSA-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414657511 375903969 /nfs/dbraw/zinc/90/39/69/375903969.db2.gz KELDAAQVEQAAOX-CMPLNLGQSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414581700 375866729 /nfs/dbraw/zinc/86/67/29/375866729.db2.gz RCKPLBPKTUUMKS-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414763144 375954838 /nfs/dbraw/zinc/95/48/38/375954838.db2.gz BLEGMIOGXFALES-BXUZGUMPSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1ccc(CN2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414763156 375955255 /nfs/dbraw/zinc/95/52/55/375955255.db2.gz BLEGMIOGXFALES-SMDDNHRTSA-N 1 0 277.368 2.462 20 5 CEBDRO CN(c1ccc(N)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286363876 375926941 /nfs/dbraw/zinc/92/69/41/375926941.db2.gz MGDHDBQCPAAMDE-FUNVUKJBSA-N 1 0 290.367 2.238 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286389898 375937291 /nfs/dbraw/zinc/93/72/91/375937291.db2.gz OWFBAWRRVHPRBG-YPMHNXCESA-N 1 0 290.367 2.240 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000415063912 376019756 /nfs/dbraw/zinc/01/97/56/376019756.db2.gz JBAVOXMXXAWOGZ-CQSZACIVSA-N 1 0 281.331 2.341 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)C)cc1[N+](=O)[O-] ZINC000287156153 376163034 /nfs/dbraw/zinc/16/30/34/376163034.db2.gz SYUSZUBNTPBRJT-NSHDSACASA-N 1 0 281.356 2.206 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305814766 376501835 /nfs/dbraw/zinc/50/18/35/376501835.db2.gz JNUFIUFSZLQICG-GXTWGEPZSA-N 1 0 294.351 2.196 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000263926100 190085709 /nfs/dbraw/zinc/08/57/09/190085709.db2.gz VSMKENIYAAUPCD-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1c[nH]nc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020756 376605458 /nfs/dbraw/zinc/60/54/58/376605458.db2.gz VDLHXFRIBLHILW-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO CCSCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289953584 376573965 /nfs/dbraw/zinc/57/39/65/376573965.db2.gz YAMTXEVMIKFZGV-UHFFFAOYSA-N 1 0 269.370 2.113 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH2+]CC1 ZINC000420125403 376575829 /nfs/dbraw/zinc/57/58/29/376575829.db2.gz PRMZMESZJXHQOP-UHFFFAOYSA-N 1 0 276.123 2.311 20 5 CEBDRO Cc1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000289977307 376585952 /nfs/dbraw/zinc/58/59/52/376585952.db2.gz ZNHPZEBLBYOERL-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO CC(C)n1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000290220722 376692088 /nfs/dbraw/zinc/69/20/88/376692088.db2.gz WZXVILCKBMTHDM-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCC[N@@H+]1C ZINC000421003868 376778900 /nfs/dbraw/zinc/77/89/00/376778900.db2.gz SGFAAWPKVJLBIX-JTQLQIEISA-N 1 0 299.321 2.399 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000290597611 376847102 /nfs/dbraw/zinc/84/71/02/376847102.db2.gz GYHQMMKFILBWSG-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000563002056 377056017 /nfs/dbraw/zinc/05/60/17/377056017.db2.gz AQIJPOZOMDEIHZ-ZETCQYMHSA-N 1 0 278.230 2.084 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000330563148 377185845 /nfs/dbraw/zinc/18/58/45/377185845.db2.gz JWBRSHATNCCOIN-RISCZKNCSA-N 1 0 264.325 2.188 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000563419432 377218954 /nfs/dbraw/zinc/21/89/54/377218954.db2.gz VBRBWNJNKVNYBU-UHIISALHSA-N 1 0 276.336 2.333 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000331021979 377243654 /nfs/dbraw/zinc/24/36/54/377243654.db2.gz SLZRYGOAOZFKIP-LSDHHAIUSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[C@@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313391 377243757 /nfs/dbraw/zinc/24/37/57/377243757.db2.gz FRKSBWZTQIVNES-UONOGXRCSA-N 1 0 263.341 2.373 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000264868767 190140211 /nfs/dbraw/zinc/14/02/11/190140211.db2.gz NXJAITAQMLJSAO-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292982687 377381520 /nfs/dbraw/zinc/38/15/20/377381520.db2.gz LKZCYOBMZGHQIU-BXKDBHETSA-N 1 0 270.354 2.297 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000332225575 377546409 /nfs/dbraw/zinc/54/64/09/377546409.db2.gz KKEFVGBBXUSXLP-GUTXKFCHSA-N 1 0 276.336 2.188 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000313127128 249385945 /nfs/dbraw/zinc/38/59/45/249385945.db2.gz ZHCOMULYNPNRGD-OLZOCXBDSA-N 1 0 252.314 2.234 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293898497 377814533 /nfs/dbraw/zinc/81/45/33/377814533.db2.gz HCCLNMGZFDFDRT-CYBMUJFWSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034985 377879051 /nfs/dbraw/zinc/87/90/51/377879051.db2.gz FSEVGBXFUCDMKM-QWRGUYRKSA-N 1 0 280.372 2.025 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000294039004 377881018 /nfs/dbraw/zinc/88/10/18/377881018.db2.gz FNQPZJOVUUHDSO-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447806408 378138986 /nfs/dbraw/zinc/13/89/86/378138986.db2.gz NJRLABDQHXKSDA-LLVKDONJSA-N 1 0 295.387 2.169 20 5 CEBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295289004 378086690 /nfs/dbraw/zinc/08/66/90/378086690.db2.gz DOMISXMDRHMBAL-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000295300328 378092592 /nfs/dbraw/zinc/09/25/92/378092592.db2.gz UYKIFKCIFVEIAX-CYBMUJFWSA-N 1 0 280.324 2.131 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295618578 378238463 /nfs/dbraw/zinc/23/84/63/378238463.db2.gz GTNYDEQULPTUNZ-JTQLQIEISA-N 1 0 265.313 2.230 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@@H](CC)CO)ccc1[N+](=O)[O-] ZINC000295788913 378304935 /nfs/dbraw/zinc/30/49/35/378304935.db2.gz UWZMIYOZJHFFMM-LBPRGKRZSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@H](CC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295840753 378325488 /nfs/dbraw/zinc/32/54/88/378325488.db2.gz VWQKKRONNLALNR-SNVBAGLBSA-N 1 0 254.334 2.206 20 5 CEBDRO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000296037704 378399035 /nfs/dbraw/zinc/39/90/35/378399035.db2.gz PPNIKHBAESKOMK-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO C[N@H+]1CC=C(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450419557 378407152 /nfs/dbraw/zinc/40/71/52/378407152.db2.gz ALTJBQGISUFJHU-UHFFFAOYSA-N 1 0 298.346 2.239 20 5 CEBDRO Cc1nc(NC[C@H]2[N@H+](C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450489585 378445886 /nfs/dbraw/zinc/44/58/86/378445886.db2.gz ILAPWWQEMHPYTF-GFCCVEGCSA-N 1 0 293.371 2.226 20 5 CEBDRO C[NH2+]CCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000346684894 217986684 /nfs/dbraw/zinc/98/66/84/217986684.db2.gz RYQLQKSXVMVJBB-UHFFFAOYSA-N 1 0 265.357 2.369 20 5 CEBDRO Cc1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000266188481 190238963 /nfs/dbraw/zinc/23/89/63/190238963.db2.gz USOJXJOWMUZDPG-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCN1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337662 378866357 /nfs/dbraw/zinc/86/63/57/378866357.db2.gz ZRIGWMVVYAPXHX-NWDGAFQWSA-N 1 0 291.351 2.175 20 5 CEBDRO C[NH+](C)CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299302565 378956626 /nfs/dbraw/zinc/95/66/26/378956626.db2.gz BBKCBBFUNOYEGK-UHFFFAOYSA-N 1 0 280.328 2.058 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299408218 378986178 /nfs/dbraw/zinc/98/61/78/378986178.db2.gz YNLVLMKEOJFTNB-CYBMUJFWSA-N 1 0 282.340 2.066 20 5 CEBDRO [NH3+]C[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347114078 218126327 /nfs/dbraw/zinc/12/63/27/218126327.db2.gz RYGJBVQEBDADPW-VUUYWXRKSA-N 1 0 261.325 2.031 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299662251 379096716 /nfs/dbraw/zinc/09/67/16/379096716.db2.gz WDPYQHRIJUWNEI-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278757381 194141433 /nfs/dbraw/zinc/14/14/33/194141433.db2.gz MKNLSPBCTPVSDF-VIFPVBQESA-N 1 0 292.261 2.066 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772403 194148135 /nfs/dbraw/zinc/14/81/35/194148135.db2.gz NFWRRRLKXSXEPB-VXGBXAGGSA-N 1 0 282.340 2.033 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC1CC[NH+](C)CC1 ZINC000187573546 183659948 /nfs/dbraw/zinc/65/99/48/183659948.db2.gz QWLZPJKFMCUXSO-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000303984182 379503450 /nfs/dbraw/zinc/50/34/50/379503450.db2.gz HNYPVAYWEBFHSA-SECBINFHSA-N 1 0 258.343 2.248 20 5 CEBDRO Cc1cnc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267105120 190303944 /nfs/dbraw/zinc/30/39/44/190303944.db2.gz PXSJQFFUOZOSJE-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305206588 379683359 /nfs/dbraw/zinc/68/33/59/379683359.db2.gz YEDHTKDJNUVZFN-SMDDNHRTSA-N 1 0 264.325 2.188 20 5 CEBDRO C[NH+](C)[C@@]1(CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267118163 190305077 /nfs/dbraw/zinc/30/50/77/190305077.db2.gz STFUHVUDCOZMQX-CYBMUJFWSA-N 1 0 281.381 2.444 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000334035186 380218211 /nfs/dbraw/zinc/21/82/11/380218211.db2.gz WELHRJUVBLRJLU-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891208 380285899 /nfs/dbraw/zinc/28/58/99/380285899.db2.gz WQFRKPCXRLDEMU-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO COC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897576 380288429 /nfs/dbraw/zinc/28/84/29/380288429.db2.gz KLLODYKJAMDSIF-DGCLKSJQSA-N 1 0 282.340 2.215 20 5 CEBDRO COCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000552083485 380682273 /nfs/dbraw/zinc/68/22/73/380682273.db2.gz IBLBJAKMRNLKQK-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000492819837 380699985 /nfs/dbraw/zinc/69/99/85/380699985.db2.gz UAQPUPNZLPARJL-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341562378 285134527 /nfs/dbraw/zinc/13/45/27/285134527.db2.gz HZBUGMOKEAANCY-ZDUSSCGKSA-N 1 0 296.367 2.205 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCOC1 ZINC000288423023 197074304 /nfs/dbraw/zinc/07/43/04/197074304.db2.gz BEMGRIPILBYQFR-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000283155264 195804778 /nfs/dbraw/zinc/80/47/78/195804778.db2.gz OSRUGBMJGVSUIC-ZJUUUORDSA-N 1 0 298.314 2.411 20 5 CEBDRO COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000051536041 533560956 /nfs/dbraw/zinc/56/09/56/533560956.db2.gz PGWUDFJSDQGSAA-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235315954 291995591 /nfs/dbraw/zinc/99/55/91/291995591.db2.gz LAIUOBGXMFTQKT-ZWNOBZJWSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000301716746 394464970 /nfs/dbraw/zinc/46/49/70/394464970.db2.gz NLHBHCNYJAJFMT-TZMCWYRMSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000230183810 394478745 /nfs/dbraw/zinc/47/87/45/394478745.db2.gz PMPOGQJFICCTME-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000413079921 394480333 /nfs/dbraw/zinc/48/03/33/394480333.db2.gz ZBJUBXCFZYOFBC-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236868642 394488559 /nfs/dbraw/zinc/48/85/59/394488559.db2.gz IKNFFJGYNWREJQ-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238042650 394493464 /nfs/dbraw/zinc/49/34/64/394493464.db2.gz NFWQRAQGOUUYOV-QPUJVOFHSA-N 1 0 297.742 2.105 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000308638179 394529827 /nfs/dbraw/zinc/52/98/27/394529827.db2.gz UTKMICHUSKBWBZ-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO CCOC(=O)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050067709 394554111 /nfs/dbraw/zinc/55/41/11/394554111.db2.gz IFRLDZKKTUSCGT-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000074747238 394609719 /nfs/dbraw/zinc/60/97/19/394609719.db2.gz JJAXBGIVJNISTL-SNVBAGLBSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000332419956 394637714 /nfs/dbraw/zinc/63/77/14/394637714.db2.gz BKOVCORUTUSVHU-PKSQDBQZSA-N 1 0 264.325 2.419 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264665530 394641132 /nfs/dbraw/zinc/64/11/32/394641132.db2.gz SDSCEXYZATUNNK-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000267221060 394674294 /nfs/dbraw/zinc/67/42/94/394674294.db2.gz NTXQTVIZVYTIKC-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000268806285 394700084 /nfs/dbraw/zinc/70/00/84/394700084.db2.gz FWFFUFQIXLCWAZ-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000357576141 394701635 /nfs/dbraw/zinc/70/16/35/394701635.db2.gz CZLWKNPIZVPRIB-JTQLQIEISA-N 1 0 291.355 2.034 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269258031 394715927 /nfs/dbraw/zinc/71/59/27/394715927.db2.gz XGSQSRHRVYIXGJ-ZDUSSCGKSA-N 1 0 299.758 2.382 20 5 CEBDRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000422621581 394720813 /nfs/dbraw/zinc/72/08/13/394720813.db2.gz QRHLHAHOCCIXGY-JTQLQIEISA-N 1 0 294.355 2.082 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000359787590 394776208 /nfs/dbraw/zinc/77/62/08/394776208.db2.gz AYFAFWODHRTBNJ-LLVKDONJSA-N 1 0 293.367 2.285 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]12 ZINC000360210204 394793011 /nfs/dbraw/zinc/79/30/11/394793011.db2.gz VNGCOCDJYLPVFI-UTUOFQBUSA-N 1 0 278.356 2.339 20 5 CEBDRO Cc1ccc(CNC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414946330 394816455 /nfs/dbraw/zinc/81/64/55/394816455.db2.gz TUMNQXUUHSKGSO-UHFFFAOYSA-N 1 0 263.341 2.135 20 5 CEBDRO CC(C)c1ccc(CN[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414960204 394825975 /nfs/dbraw/zinc/82/59/75/394825975.db2.gz UNOLWCILRWYUCQ-JTQLQIEISA-N 1 0 251.330 2.155 20 5 CEBDRO Cc1c([C@@H](C)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339170 394890815 /nfs/dbraw/zinc/89/08/15/394890815.db2.gz ZHONLOPBQDSKDX-MFKMUULPSA-N 1 0 263.341 2.291 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423589670 394955077 /nfs/dbraw/zinc/95/50/77/394955077.db2.gz CQOVDPINSKZMGZ-LLVKDONJSA-N 1 0 293.367 2.446 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)C[NH3+] ZINC000415302157 394919840 /nfs/dbraw/zinc/91/98/40/394919840.db2.gz UDKHHDCOJVHPKA-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445253 394923198 /nfs/dbraw/zinc/92/31/98/394923198.db2.gz MNAGLRZVUSRCFW-DCAQKATOSA-N 1 0 251.330 2.290 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000415508239 394939200 /nfs/dbraw/zinc/93/92/00/394939200.db2.gz UZAMJANRUPUWKW-GHMZBOCLSA-N 1 0 292.339 2.234 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423550047 394949241 /nfs/dbraw/zinc/94/92/41/394949241.db2.gz FIQOUTXRQDZUMA-LLVKDONJSA-N 1 0 291.351 2.058 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000286263831 395018572 /nfs/dbraw/zinc/01/85/72/395018572.db2.gz DACSJRQRRRJHGI-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423698191 394969105 /nfs/dbraw/zinc/96/91/05/394969105.db2.gz MMIMOHSUWKOIDF-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374036977 395071081 /nfs/dbraw/zinc/07/10/81/395071081.db2.gz JBHLTSGAULPGJG-CQSZACIVSA-N 1 0 278.352 2.232 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289694536 395083455 /nfs/dbraw/zinc/08/34/55/395083455.db2.gz SSFSFYZAWNJCIN-RYUDHWBXSA-N 1 0 277.324 2.230 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423976988 395040086 /nfs/dbraw/zinc/04/00/86/395040086.db2.gz HLINTSQVYOUZFK-ZDUSSCGKSA-N 1 0 293.367 2.315 20 5 CEBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000343535531 395041132 /nfs/dbraw/zinc/04/11/32/395041132.db2.gz QEXGGNVYHBRMNM-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C(F)F)CCC2 ZINC000436282599 395104985 /nfs/dbraw/zinc/10/49/85/395104985.db2.gz HQWKZQPYERSNCH-NWDGAFQWSA-N 1 0 286.278 2.188 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433114495 395199928 /nfs/dbraw/zinc/19/99/28/395199928.db2.gz HAQKUXNIFYYDGG-WCQYABFASA-N 1 0 293.367 2.311 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420374391 395360004 /nfs/dbraw/zinc/36/00/04/395360004.db2.gz RVTKNVBBYUXIHV-UEKVPHQBSA-N 1 0 293.367 2.080 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000420629658 395392750 /nfs/dbraw/zinc/39/27/50/395392750.db2.gz CTTROCFYGRYXFB-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC1([NH+](C)C)CCC1 ZINC000192846956 395394608 /nfs/dbraw/zinc/39/46/08/395394608.db2.gz MTQCOCCQLOVZFN-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420361084 395348042 /nfs/dbraw/zinc/34/80/42/395348042.db2.gz HQJWKCOWNBUFHH-GPCCPHFNSA-N 1 0 281.331 2.210 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000420365551 395352086 /nfs/dbraw/zinc/35/20/86/395352086.db2.gz LHESKYBVGRRSMO-GPCCPHFNSA-N 1 0 281.331 2.210 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443963836 395407312 /nfs/dbraw/zinc/40/73/12/395407312.db2.gz PHZUNONNYNGXLQ-UHFFFAOYSA-N 1 0 292.383 2.254 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567867916 395537619 /nfs/dbraw/zinc/53/76/19/395537619.db2.gz ZFWBBBQPWHSXOF-WDEREUQCSA-N 1 0 294.355 2.459 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000449580134 395555193 /nfs/dbraw/zinc/55/51/93/395555193.db2.gz NHAFUTCPJBMJGP-LBPRGKRZSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449581609 395556024 /nfs/dbraw/zinc/55/60/24/395556024.db2.gz BBSCXTJOAALDIO-VIFPVBQESA-N 1 0 280.353 2.111 20 5 CEBDRO C[N@H+](Cc1ccccc1)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000588072489 400613917 /nfs/dbraw/zinc/61/39/17/400613917.db2.gz OUTXBVRLIYTGQY-UHFFFAOYSA-N 1 0 298.346 2.310 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359924967 155170833 /nfs/dbraw/zinc/17/08/33/155170833.db2.gz PSISDALYYUQJOQ-BXKDBHETSA-N 1 0 288.307 2.310 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360068665 155208410 /nfs/dbraw/zinc/20/84/10/155208410.db2.gz ATPAEWJPSRISJW-LLVKDONJSA-N 1 0 297.330 2.175 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343471237 292283130 /nfs/dbraw/zinc/28/31/30/292283130.db2.gz WAJNJTSGTPDTLH-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230165922 153387291 /nfs/dbraw/zinc/38/72/91/153387291.db2.gz FEKNHNIYJSOEAJ-GFCCVEGCSA-N 1 0 264.325 2.419 20 5 CEBDRO COC1CC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000230676095 153397391 /nfs/dbraw/zinc/39/73/91/153397391.db2.gz AGEFXMPUNXQSCE-KPPDAEKUSA-N 1 0 250.298 2.423 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366790002 156083492 /nfs/dbraw/zinc/08/34/92/156083492.db2.gz QMELGSBJNWQQIQ-IINYFYTJSA-N 1 0 280.299 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(Cl)c1 ZINC000375753597 157135087 /nfs/dbraw/zinc/13/50/87/157135087.db2.gz AJFDEPZDPCXXOF-CNDDSTCGSA-N 1 0 282.727 2.230 20 5 CEBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000376106007 157185095 /nfs/dbraw/zinc/18/50/95/157185095.db2.gz DODFNDRKEIGCIZ-NWDGAFQWSA-N 1 0 276.340 2.216 20 5 CEBDRO CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174867089 165119242 /nfs/dbraw/zinc/11/92/42/165119242.db2.gz LEPOULMXOJUWHE-GFCCVEGCSA-N 1 0 266.345 2.303 20 5 CEBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285566 165160191 /nfs/dbraw/zinc/16/01/91/165160191.db2.gz OEYACTSCKRBGHX-NEPJUHHUSA-N 1 0 298.412 2.397 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000179134037 165271756 /nfs/dbraw/zinc/27/17/56/165271756.db2.gz GAQJPBOVQDHFHE-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(C)(C)C ZINC000284328110 196031012 /nfs/dbraw/zinc/03/10/12/196031012.db2.gz QEYYYICWUZGCMC-ZDUSSCGKSA-N 1 0 266.341 2.434 20 5 CEBDRO C[N@H+](CCCn1ccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000285334101 196253144 /nfs/dbraw/zinc/25/31/44/196253144.db2.gz ODJZQMSYDPQJCM-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO COC[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285458462 196290544 /nfs/dbraw/zinc/29/05/44/196290544.db2.gz ZBBUZKSKZMWHGC-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000040676033 174373792 /nfs/dbraw/zinc/37/37/92/174373792.db2.gz UFDVCQCMQHRPJN-HUUCEWRRSA-N 1 0 278.352 2.421 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000041677383 174602827 /nfs/dbraw/zinc/60/28/27/174602827.db2.gz FZSCXRNCQYFXBI-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632620 414845094 /nfs/dbraw/zinc/84/50/94/414845094.db2.gz RTGOUSDGAUDLKD-XVKPBYJWSA-N 1 0 278.230 2.169 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044498905 175184351 /nfs/dbraw/zinc/18/43/51/175184351.db2.gz LISFQYSLGDJOLX-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163154 175510733 /nfs/dbraw/zinc/51/07/33/175510733.db2.gz FDLLNFTZKBIXEQ-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070173367 175878239 /nfs/dbraw/zinc/87/82/39/175878239.db2.gz UQHQCZWGTZNFAV-GHMZBOCLSA-N 1 0 292.339 2.186 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270589 176103834 /nfs/dbraw/zinc/10/38/34/176103834.db2.gz BCICZIBCUPTLDQ-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300829 176113779 /nfs/dbraw/zinc/11/37/79/176113779.db2.gz QXUZLEXESUQWFP-RNCFNFMXSA-N 1 0 250.298 2.016 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746913 299020763 /nfs/dbraw/zinc/02/07/63/299020763.db2.gz BSEULLNOKGAGME-GXTWGEPZSA-N 1 0 264.325 2.189 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CCOCC1 ZINC000449404748 260521660 /nfs/dbraw/zinc/52/16/60/260521660.db2.gz VZKXSVXOVJLCHE-UHFFFAOYSA-N 1 0 292.335 2.430 20 5 CEBDRO CC[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181131380 260566360 /nfs/dbraw/zinc/56/63/60/260566360.db2.gz SUNQKYVATNDBMG-MNOVXSKESA-N 1 0 264.329 2.275 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488785963 262394064 /nfs/dbraw/zinc/39/40/64/262394064.db2.gz PMQNPVKCQGUEOZ-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335453 264011557 /nfs/dbraw/zinc/01/15/57/264011557.db2.gz IBRJKGHXNUXALS-PWSUYJOCSA-N 1 0 292.364 2.455 20 5 CEBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335506 264011896 /nfs/dbraw/zinc/01/18/96/264011896.db2.gz IBRJKGHXNUXALS-ZYHUDNBSSA-N 1 0 292.364 2.455 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959842 264227428 /nfs/dbraw/zinc/22/74/28/264227428.db2.gz USRJDNQPCPWFMX-WDEREUQCSA-N 1 0 264.329 2.084 20 5 CEBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425454750 264328964 /nfs/dbraw/zinc/32/89/64/264328964.db2.gz FKRHLWPMMLOSPF-HNNXBMFYSA-N 1 0 278.352 2.494 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000150252522 270236584 /nfs/dbraw/zinc/23/65/84/270236584.db2.gz RIPIMCXLYNKHEC-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000395267849 270346545 /nfs/dbraw/zinc/34/65/45/270346545.db2.gz JWDXESNHXOVMOJ-KWBADKCTSA-N 1 0 252.314 2.405 20 5 CEBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000396948757 270350369 /nfs/dbraw/zinc/35/03/69/270350369.db2.gz XSIAYRPFQAFYIV-NSHDSACASA-N 1 0 250.298 2.252 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000398393533 270357853 /nfs/dbraw/zinc/35/78/53/270357853.db2.gz YCAHOQHUMUHQTC-SMDDNHRTSA-N 1 0 291.351 2.162 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420275848 270501646 /nfs/dbraw/zinc/50/16/46/270501646.db2.gz HCDCHWYOHCJYNF-BDAKNGLRSA-N 1 0 268.292 2.058 20 5 CEBDRO CC[C@H](C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000421384021 270616493 /nfs/dbraw/zinc/61/64/93/270616493.db2.gz OKXUCIZEVQUJDI-VIFPVBQESA-N 1 0 268.313 2.445 20 5 CEBDRO CON1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000421402966 270619722 /nfs/dbraw/zinc/61/97/22/270619722.db2.gz WHFJBINUGGFWPB-UHFFFAOYSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000421707981 270649195 /nfs/dbraw/zinc/64/91/95/270649195.db2.gz YUDNDJZLWSLKBY-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000422878677 270796778 /nfs/dbraw/zinc/79/67/78/270796778.db2.gz JOFXKGVTKAUBFT-UHFFFAOYSA-N 1 0 297.380 2.174 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[NH2+]C ZINC000423222817 270874558 /nfs/dbraw/zinc/87/45/58/270874558.db2.gz CUOQAMKPOORBLJ-NSHDSACASA-N 1 0 283.397 2.275 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])CC ZINC000423688533 270931088 /nfs/dbraw/zinc/93/10/88/270931088.db2.gz XOJRBXDGKJIKOB-SECBINFHSA-N 1 0 297.380 2.174 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C[NH3+])C1CC1 ZINC000423958993 270992822 /nfs/dbraw/zinc/99/28/22/270992822.db2.gz WVIHXGQJOIERAK-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426218176 271203844 /nfs/dbraw/zinc/20/38/44/271203844.db2.gz SEAXIHMEEIJYAF-HUUCEWRRSA-N 1 0 294.351 2.209 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429256066 271317420 /nfs/dbraw/zinc/31/74/20/271317420.db2.gz OWIUNHUVEPPTRK-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358228 274385680 /nfs/dbraw/zinc/38/56/80/274385680.db2.gz DQLGFKROSCVHBZ-NEPJUHHUSA-N 1 0 291.351 2.163 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000153843758 275033570 /nfs/dbraw/zinc/03/35/70/275033570.db2.gz RNWDLEZKSMADJP-LLVKDONJSA-N 1 0 294.742 2.094 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977110 276342050 /nfs/dbraw/zinc/34/20/50/276342050.db2.gz GJPMJXOYMBGYAB-KCPJHIHWSA-N 1 0 294.351 2.439 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ncccc1[N+](=O)[O-])CC2 ZINC000374989245 277042570 /nfs/dbraw/zinc/04/25/70/277042570.db2.gz PPSNNHBCAVVEBD-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382277 277238006 /nfs/dbraw/zinc/23/80/06/277238006.db2.gz JIQYPQQBHXEQIU-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276853985 277300056 /nfs/dbraw/zinc/30/00/56/277300056.db2.gz JKDJISQZIWNGIL-HONMWMINSA-N 1 0 280.324 2.001 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882675 277565373 /nfs/dbraw/zinc/56/53/73/277565373.db2.gz DAXYOUAAQQMCTI-HZMBPMFUSA-N 1 0 264.325 2.333 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188468977 279027367 /nfs/dbraw/zinc/02/73/67/279027367.db2.gz NSFPWKVKBWZNIT-QWRGUYRKSA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356977094 279104147 /nfs/dbraw/zinc/10/41/47/279104147.db2.gz CFEJEHCMCDEFMD-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249049918 279376659 /nfs/dbraw/zinc/37/66/59/279376659.db2.gz XGLVGDKKHRWUMV-SAUNLDPVSA-N 1 0 296.392 2.329 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000114771663 279738754 /nfs/dbraw/zinc/73/87/54/279738754.db2.gz WHKVSNRXPUTGOV-MRVPVSSYSA-N 1 0 290.266 2.057 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132822284 280200531 /nfs/dbraw/zinc/20/05/31/280200531.db2.gz PEMDYFVXPWOCGH-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394134 280263427 /nfs/dbraw/zinc/26/34/27/280263427.db2.gz LPNQNTJOSJTDMV-MFKMUULPSA-N 1 0 252.314 2.262 20 5 CEBDRO CCOc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000246534326 280299933 /nfs/dbraw/zinc/29/99/33/280299933.db2.gz XBXZHAZLGHYZRM-ZDUSSCGKSA-N 1 0 291.351 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352525362 280363320 /nfs/dbraw/zinc/36/33/20/280363320.db2.gz FWFBMPFSCBONLP-HNNXBMFYSA-N 1 0 275.352 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352525363 280363373 /nfs/dbraw/zinc/36/33/73/280363373.db2.gz FWFBMPFSCBONLP-OAHLLOKOSA-N 1 0 275.352 2.170 20 5 CEBDRO C[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422828189 280927716 /nfs/dbraw/zinc/92/77/16/280927716.db2.gz NUNRFQKRMPLZRH-VIFPVBQESA-N 1 0 293.367 2.105 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217895 281138873 /nfs/dbraw/zinc/13/88/73/281138873.db2.gz PAQAUAUITPBEKG-CHWSQXEVSA-N 1 0 291.351 2.211 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424327292 281149365 /nfs/dbraw/zinc/14/93/65/281149365.db2.gz ZZRSXMIQMQBVRW-UFGOTCBOSA-N 1 0 250.298 2.077 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000156118256 289189819 /nfs/dbraw/zinc/18/98/19/289189819.db2.gz NVZZEZFZBUACGP-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000459390939 290134323 /nfs/dbraw/zinc/13/43/23/290134323.db2.gz UEUDIWCOLXTQHN-CQSZACIVSA-N 1 0 289.339 2.447 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459639695 290202907 /nfs/dbraw/zinc/20/29/07/290202907.db2.gz DJWUPYKTDTWGRS-BJHJDKERSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1cc(F)ccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000487972631 290371422 /nfs/dbraw/zinc/37/14/22/290371422.db2.gz QUJSZGSWMHNIAV-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301658095 293297368 /nfs/dbraw/zinc/29/73/68/293297368.db2.gz LQXTXUTWYRDRIR-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO CS[C@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000517026136 297612642 /nfs/dbraw/zinc/61/26/42/297612642.db2.gz LDLLWLHBSCLQIH-STQMWFEESA-N 1 0 282.365 2.457 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000538604101 298231088 /nfs/dbraw/zinc/23/10/88/298231088.db2.gz WOOQHKAHOVBLKT-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822405 298268312 /nfs/dbraw/zinc/26/83/12/298268312.db2.gz HJHXRNLNYCPQMY-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000556899130 298560588 /nfs/dbraw/zinc/56/05/88/298560588.db2.gz UMPILWDCIBFZGW-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789485 298711412 /nfs/dbraw/zinc/71/14/12/298711412.db2.gz CWMUURJYPYLDSB-NWDGAFQWSA-N 1 0 291.351 2.175 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000516905942 313097762 /nfs/dbraw/zinc/09/77/62/313097762.db2.gz UAUNJCAWHSOTLK-CHWSQXEVSA-N 1 0 250.298 2.170 20 5 CEBDRO O=C(CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000566063833 313845643 /nfs/dbraw/zinc/84/56/43/313845643.db2.gz NDDFKEMDYIQOCB-QHBPRCKVSA-N 1 0 289.335 2.312 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000571368709 314085454 /nfs/dbraw/zinc/08/54/54/314085454.db2.gz XTUHJKPFQXQZEG-LFHSMUGYSA-N 1 0 262.309 2.375 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000574137694 314188892 /nfs/dbraw/zinc/18/88/92/314188892.db2.gz DLOJKROKOPTUMP-RKDXNWHRSA-N 1 0 280.303 2.166 20 5 CEBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000577003540 314332287 /nfs/dbraw/zinc/33/22/87/314332287.db2.gz UAPXRAJRZUNRFJ-UHFFFAOYSA-N 1 0 279.340 2.314 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000577486567 314382278 /nfs/dbraw/zinc/38/22/78/314382278.db2.gz HJYWHGZTQJGJDQ-QWRGUYRKSA-N 1 0 290.367 2.126 20 5 CEBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000386545350 321872054 /nfs/dbraw/zinc/87/20/54/321872054.db2.gz FNGXAYUNEVDAGW-WCQYABFASA-N 1 0 263.341 2.215 20 5 CEBDRO COc1cccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580883832 322351246 /nfs/dbraw/zinc/35/12/46/322351246.db2.gz CQPIUABJNYEIRI-HNNXBMFYSA-N 1 0 291.351 2.183 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000582204712 322455197 /nfs/dbraw/zinc/45/51/97/322455197.db2.gz HPRWAVUBTRFZOA-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO CC1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583689020 322561857 /nfs/dbraw/zinc/56/18/57/322561857.db2.gz PLBZLZYSQOYLPQ-LBPRGKRZSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000584232624 327071391 /nfs/dbraw/zinc/07/13/91/327071391.db2.gz FOQHKRDXWZLSDB-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000584390502 329325182 /nfs/dbraw/zinc/32/51/82/329325182.db2.gz IDLVVSXUKOGMAM-MROQNXINSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414862379 533942173 /nfs/dbraw/zinc/94/21/73/533942173.db2.gz XNIQOVZDUVGQSE-ONGXEEELSA-N 1 0 269.370 2.134 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000069044974 519675907 /nfs/dbraw/zinc/67/59/07/519675907.db2.gz CBVXUUXUHOLNQD-NSHDSACASA-N 1 0 295.339 2.038 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358651 521168120 /nfs/dbraw/zinc/16/81/20/521168120.db2.gz HXZANXLDRAYDBS-GWCFXTLKSA-N 1 0 279.340 2.290 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164132028 523006339 /nfs/dbraw/zinc/00/63/39/523006339.db2.gz IZTJODIPVAJKFI-CHWSQXEVSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000161118255 524570980 /nfs/dbraw/zinc/57/09/80/524570980.db2.gz DRDRPZINUYKEOE-JTQLQIEISA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000062726294 525463019 /nfs/dbraw/zinc/46/30/19/525463019.db2.gz VLXNLOLUCRENBD-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1c(CN[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049557377 525725556 /nfs/dbraw/zinc/72/55/56/525725556.db2.gz WIDCQXNDROROGB-NSHDSACASA-N 1 0 265.357 2.333 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CCC=CO3)nc2c1 ZINC000278745429 527379125 /nfs/dbraw/zinc/37/91/25/527379125.db2.gz ROSMYOBFZWCADE-LLVKDONJSA-N 1 0 288.307 2.253 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1CCO ZINC000069251761 527404707 /nfs/dbraw/zinc/40/47/07/527404707.db2.gz MUAVYDRNIDLYSL-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049668 575147437 /nfs/dbraw/zinc/14/74/37/575147437.db2.gz UWEPGVRCQHSFEU-GWCFXTLKSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000804797073 622971172 /nfs/dbraw/zinc/97/11/72/622971172.db2.gz JXENSTYBBOCVIG-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050370380 623402875 /nfs/dbraw/zinc/40/28/75/623402875.db2.gz YFFLINBGNHXNCC-WCQYABFASA-N 1 0 250.298 2.252 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCCCC1 ZINC000891591066 623811399 /nfs/dbraw/zinc/81/13/99/623811399.db2.gz AKIIWEHPLLKDHG-UHFFFAOYSA-N 1 0 294.355 2.286 20 5 CEBDRO C[C@H]1CSCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934305273 624400500 /nfs/dbraw/zinc/40/05/00/624400500.db2.gz XOQBPTHKHZJMCJ-SMDDNHRTSA-N 1 0 296.392 2.456 20 5 CEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892271171 624579145 /nfs/dbraw/zinc/57/91/45/624579145.db2.gz PUNBUWMHMXQSKP-NSHDSACASA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000725780450 624777124 /nfs/dbraw/zinc/77/71/24/624777124.db2.gz YTQOFWUVKCQRSQ-SNVBAGLBSA-N 1 0 260.297 2.244 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833693 627717986 /nfs/dbraw/zinc/71/79/86/627717986.db2.gz BGDJOGJQVANBGR-CKYFFXLPSA-N 1 0 250.298 2.280 20 5 CEBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000892970000 627908949 /nfs/dbraw/zinc/90/89/49/627908949.db2.gz BPKYEAHXLMHTOP-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO NOCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000902420950 634645272 /nfs/dbraw/zinc/64/52/72/634645272.db2.gz YZVRNFINGFEMNI-OCCSQVGLSA-N 1 0 293.367 2.176 20 5 CEBDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000893461222 628632932 /nfs/dbraw/zinc/63/29/32/628632932.db2.gz MUVVQQINYICQOM-UHFFFAOYSA-N 1 0 295.730 2.007 20 5 CEBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932161941 628980977 /nfs/dbraw/zinc/98/09/77/628980977.db2.gz AADOPODOUZUWIV-GFCCVEGCSA-N 1 0 296.371 2.071 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000893941906 629056154 /nfs/dbraw/zinc/05/61/54/629056154.db2.gz XIZUALKRKGEILF-ZBEGNZNMSA-N 1 0 298.346 2.283 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H](C)O ZINC000877320424 629149869 /nfs/dbraw/zinc/14/98/69/629149869.db2.gz GMDJOTPIYWMVFR-SNVBAGLBSA-N 1 0 252.314 2.024 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C)([NH+](C)C)CC1 ZINC000894849730 629688326 /nfs/dbraw/zinc/68/83/26/629688326.db2.gz RSJFDVMGTLWGEJ-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841233482 629816269 /nfs/dbraw/zinc/81/62/69/629816269.db2.gz VNHRJMQQMGLSIF-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO CCC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057198 629830365 /nfs/dbraw/zinc/83/03/65/629830365.db2.gz FGBLHPGBOAUKIB-LLVKDONJSA-N 1 0 267.304 2.312 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000218901470 629900315 /nfs/dbraw/zinc/90/03/15/629900315.db2.gz MYKOYTNTPKOVRJ-RAIGVLPGSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH+](C)C ZINC000821719949 634775909 /nfs/dbraw/zinc/77/59/09/634775909.db2.gz IEHLMGOTTGTSAV-UHFFFAOYSA-N 1 0 293.367 2.235 20 5 CEBDRO CCO[C@H](CNc1cc(C)sc1[N+](=O)[O-])C[NH+](C)C ZINC000896114277 630467678 /nfs/dbraw/zinc/46/76/78/630467678.db2.gz XNURPQCDDYANFH-SNVBAGLBSA-N 1 0 287.385 2.343 20 5 CEBDRO CSCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799198727 630997079 /nfs/dbraw/zinc/99/70/79/630997079.db2.gz KKRXRJLWMWWMHA-ZDUSSCGKSA-N 1 0 284.381 2.313 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CO ZINC000872038089 631235185 /nfs/dbraw/zinc/23/51/85/631235185.db2.gz HZTVXXCRHHHLMM-DTWKUNHWSA-N 1 0 270.354 2.348 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@]23C[C@H]2CCC3)c1[N+](=O)[O-] ZINC000897375625 631248878 /nfs/dbraw/zinc/24/88/78/631248878.db2.gz ZBIUNNHULSWPAK-QMTHXVAHSA-N 1 0 278.308 2.341 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465777 631532294 /nfs/dbraw/zinc/53/22/94/631532294.db2.gz HZHWYIPUHWEIFN-MNOVXSKESA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@@H](C[NH2+]C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466104 631532819 /nfs/dbraw/zinc/53/28/19/631532819.db2.gz NWZBYDHSLHCWOU-LBPRGKRZSA-N 1 0 277.368 2.382 20 5 CEBDRO COC1CC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897466269 631532828 /nfs/dbraw/zinc/53/28/28/631532828.db2.gz QPOHVHDRQUWJFX-UNXYVOJBSA-N 1 0 264.325 2.465 20 5 CEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000804378003 631673169 /nfs/dbraw/zinc/67/31/69/631673169.db2.gz XMLOXJLEDCCCHN-VIFPVBQESA-N 1 0 292.295 2.152 20 5 CEBDRO CS[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840112850 631865839 /nfs/dbraw/zinc/86/58/39/631865839.db2.gz BTSRWWPNYAABQA-LBPRGKRZSA-N 1 0 292.364 2.339 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814569 631911754 /nfs/dbraw/zinc/91/17/54/631911754.db2.gz WFMUNOAQGCLRPT-GNIGRLLJSA-N 1 0 286.331 2.348 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000897891323 631963693 /nfs/dbraw/zinc/96/36/93/631963693.db2.gz AYDPBFLLMCEVJD-AVXNYWLKSA-N 1 0 292.335 2.002 20 5 CEBDRO Cc1ccc(C[NH2+]C2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000898008236 631999282 /nfs/dbraw/zinc/99/92/82/631999282.db2.gz QEYHPFYOUZXATI-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205561 632086548 /nfs/dbraw/zinc/08/65/48/632086548.db2.gz FDCVDOOMYFHKKE-SJDLMVEWSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cn1 ZINC000809734507 632134226 /nfs/dbraw/zinc/13/42/26/632134226.db2.gz IQIYQBCNGBZJDL-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO [NH3+]CCN(Cc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000809734679 632134240 /nfs/dbraw/zinc/13/42/40/632134240.db2.gz JQFKTAQXNLRXKA-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO [NH3+]CCN(C[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734542 632134268 /nfs/dbraw/zinc/13/42/68/632134268.db2.gz GYBSWQXLJLECCV-NSHDSACASA-N 1 0 281.381 2.113 20 5 CEBDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000927006839 632414159 /nfs/dbraw/zinc/41/41/59/632414159.db2.gz XFDUANXQDUAENB-LLVKDONJSA-N 1 0 292.335 2.399 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000041678270 632443558 /nfs/dbraw/zinc/44/35/58/632443558.db2.gz BVOISQBAXHXLHO-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+](C)C)c1C ZINC000898670625 632573691 /nfs/dbraw/zinc/57/36/91/632573691.db2.gz ZQHQIRYJRQHJKE-NSHDSACASA-N 1 0 293.367 2.282 20 5 CEBDRO CCC(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173973 632643240 /nfs/dbraw/zinc/64/32/40/632643240.db2.gz NHHPWRZAXJTVBU-ZDUSSCGKSA-N 1 0 278.308 2.122 20 5 CEBDRO O=C(O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC000813172742 632643630 /nfs/dbraw/zinc/64/36/30/632643630.db2.gz NCNHNCNEGOPHMP-AWEZNQCLSA-N 1 0 290.319 2.122 20 5 CEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905123510 635827385 /nfs/dbraw/zinc/82/73/85/635827385.db2.gz YZOVQFBVDJAXQL-ZDUSSCGKSA-N 1 0 277.368 2.078 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571804 633032093 /nfs/dbraw/zinc/03/20/93/633032093.db2.gz MQNADSURFFBILN-JQWIXIFHSA-N 1 0 281.356 2.235 20 5 CEBDRO CCc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815581243 633035120 /nfs/dbraw/zinc/03/51/20/633035120.db2.gz ZPDPZCLDBBSEJQ-SECBINFHSA-N 1 0 289.339 2.313 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587302 633036120 /nfs/dbraw/zinc/03/61/20/633036120.db2.gz GKFBLLZCABEQPS-HZMBPMFUSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598444 633036859 /nfs/dbraw/zinc/03/68/59/633036859.db2.gz VLOKSRIDWQMAFK-YUSALJHKSA-N 1 0 279.340 2.131 20 5 CEBDRO CC1CC[NH+]([C@@H](CNCC[N+](=O)[O-])c2cccs2)CC1 ZINC000899861131 633055613 /nfs/dbraw/zinc/05/56/13/633055613.db2.gz WIIWOVAYZQAQOI-ZDUSSCGKSA-N 1 0 297.424 2.387 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1CCSc2ccc(F)cc21 ZINC000899866253 633066162 /nfs/dbraw/zinc/06/61/62/633066162.db2.gz VXRNPAWOAOXFKQ-SNVBAGLBSA-N 1 0 256.302 2.229 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000817131661 633590464 /nfs/dbraw/zinc/59/04/64/633590464.db2.gz JMAZCPYSSQGTDV-VIFPVBQESA-N 1 0 285.294 2.403 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+](C)C)c1C ZINC000900690036 633808970 /nfs/dbraw/zinc/80/89/70/633808970.db2.gz WYCYNTHFCHNSHV-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000042372421 633867439 /nfs/dbraw/zinc/86/74/39/633867439.db2.gz KPPHWYVMKHGZIB-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1csc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818948838 634013665 /nfs/dbraw/zinc/01/36/65/634013665.db2.gz FYIXMCSYXOLLEO-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CC2)c1 ZINC000819119023 634073169 /nfs/dbraw/zinc/07/31/69/634073169.db2.gz QOCCGTMWPKFMLE-CYBMUJFWSA-N 1 0 250.298 2.018 20 5 CEBDRO [NH3+]CCSCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901395309 634088927 /nfs/dbraw/zinc/08/89/27/634088927.db2.gz LQBRZPCPMZFGHJ-UHFFFAOYSA-N 1 0 279.321 2.442 20 5 CEBDRO [NH3+]Cc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398191 634089764 /nfs/dbraw/zinc/08/97/64/634089764.db2.gz LUKBRJGUXJGKJH-UHFFFAOYSA-N 1 0 288.307 2.309 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000819170738 634091462 /nfs/dbraw/zinc/09/14/62/634091462.db2.gz NPUGAXLUXXKRJO-JQWIXIFHSA-N 1 0 286.278 2.406 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819192078 634099169 /nfs/dbraw/zinc/09/91/69/634099169.db2.gz WZXYFCZRGVMBJF-GXTWGEPZSA-N 1 0 294.351 2.175 20 5 CEBDRO CCC(O)(CC)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819255709 634118604 /nfs/dbraw/zinc/11/86/04/634118604.db2.gz DQUJYQKCPCQGKN-CQSZACIVSA-N 1 0 296.367 2.159 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)c1 ZINC000819281656 634127125 /nfs/dbraw/zinc/12/71/25/634127125.db2.gz WBSPCOSQEIORJX-MJBXVCDLSA-N 1 0 262.309 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000819314371 634136250 /nfs/dbraw/zinc/13/62/50/634136250.db2.gz YURAFQZOVGVLDM-SMDDNHRTSA-N 1 0 296.392 2.361 20 5 CEBDRO COC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819332343 634143668 /nfs/dbraw/zinc/14/36/68/634143668.db2.gz BQAYEANLMZICFB-CQSZACIVSA-N 1 0 294.351 2.177 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819339844 634145900 /nfs/dbraw/zinc/14/59/00/634145900.db2.gz UCKSFFYUOCMJDS-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO CC/C=C\C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344786 634147775 /nfs/dbraw/zinc/14/77/75/634147775.db2.gz NRYADSVLYLSRTQ-SCOBNMCVSA-N 1 0 250.298 2.184 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000903058881 634949984 /nfs/dbraw/zinc/94/99/84/634949984.db2.gz VDXKISILMIGREZ-LBPRGKRZSA-N 1 0 293.367 2.350 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903076621 634957902 /nfs/dbraw/zinc/95/79/02/634957902.db2.gz SPTBPSPELOGEEY-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903090789 634964209 /nfs/dbraw/zinc/96/42/09/634964209.db2.gz HIVDTCKRAKZGRH-WDEREUQCSA-N 1 0 281.356 2.204 20 5 CEBDRO Cc1ccc(-c2noc([C@@H](C)[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722705 634981410 /nfs/dbraw/zinc/98/14/10/634981410.db2.gz JWEOYMCVQJCADJ-DTWKUNHWSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000822723038 634981514 /nfs/dbraw/zinc/98/15/14/634981514.db2.gz OGFDOXZKLZTEJZ-LLVKDONJSA-N 1 0 288.307 2.420 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(CCO)CC2)cc([N+](=O)[O-])c1 ZINC000903153819 634991469 /nfs/dbraw/zinc/99/14/69/634991469.db2.gz OCWAPWPZDWEVJE-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO COc1cc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175462 634999165 /nfs/dbraw/zinc/99/91/65/634999165.db2.gz SIVKRVMQHNHYDO-NWDGAFQWSA-N 1 0 295.383 2.452 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903200453 635010240 /nfs/dbraw/zinc/01/02/40/635010240.db2.gz SEBLVYCYOUESNC-WDEREUQCSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903210947 635017791 /nfs/dbraw/zinc/01/77/91/635017791.db2.gz BIZKURCZFPHDRC-IIMNLJJBSA-N 1 0 280.324 2.167 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CN2C[C@@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244838 635026258 /nfs/dbraw/zinc/02/62/58/635026258.db2.gz FHKUUWRWPGIWER-VNHYZAJKSA-N 1 0 289.379 2.382 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903298773 635046358 /nfs/dbraw/zinc/04/63/58/635046358.db2.gz ZINRFZBSNWWZNS-JTNHKYCSSA-N 1 0 295.358 2.347 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903298971 635046453 /nfs/dbraw/zinc/04/64/53/635046453.db2.gz AUFTUJYRKHWREE-UXIGCNINSA-N 1 0 294.351 2.358 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903391154 635087861 /nfs/dbraw/zinc/08/78/61/635087861.db2.gz VVKJLEDLXGHZPQ-UWVGGRQHSA-N 1 0 282.340 2.413 20 5 CEBDRO C[C@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269689 635119213 /nfs/dbraw/zinc/11/92/13/635119213.db2.gz JVJQXRCALFRLPT-YUMQZZPRSA-N 1 0 278.268 2.298 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800175 635277465 /nfs/dbraw/zinc/27/74/65/635277465.db2.gz USRUNZWBCZVPON-GOEBONIOSA-N 1 0 289.379 2.341 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903854118 635304845 /nfs/dbraw/zinc/30/48/45/635304845.db2.gz IBRMAFGNAIYGMT-BXUZGUMPSA-N 1 0 279.315 2.047 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903859445 635310310 /nfs/dbraw/zinc/31/03/10/635310310.db2.gz NKKMPAFFKNQZBD-UKRRQHHQSA-N 1 0 275.352 2.216 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000904124129 635462385 /nfs/dbraw/zinc/46/23/85/635462385.db2.gz VKYRJTKGGYOXLZ-UHFFFAOYSA-N 1 0 290.323 2.495 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000904461915 635634486 /nfs/dbraw/zinc/63/44/86/635634486.db2.gz LPKWUIBBKDCIRZ-LBPRGKRZSA-N 1 0 283.759 2.336 20 5 CEBDRO COc1ccc(OC(=O)CC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000904853305 635746553 /nfs/dbraw/zinc/74/65/53/635746553.db2.gz YPVCLOGKIJWGNO-UHFFFAOYSA-N 1 0 296.323 2.287 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905045917 635786470 /nfs/dbraw/zinc/78/64/70/635786470.db2.gz MZEBRQOMNXCEBX-CQSZACIVSA-N 1 0 291.395 2.427 20 5 CEBDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905144883 635846291 /nfs/dbraw/zinc/84/62/91/635846291.db2.gz KVDWMFUYAHTONM-CABCVRRESA-N 1 0 278.352 2.329 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000905666788 636374864 /nfs/dbraw/zinc/37/48/64/636374864.db2.gz LYCQPAWMKULSTE-SPWCGHHHSA-N 1 0 276.336 2.406 20 5 CEBDRO C[C@@H](C[NH2+]CC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000905642711 636378801 /nfs/dbraw/zinc/37/88/01/636378801.db2.gz IBWPNWCGPTXSKO-NSHDSACASA-N 1 0 264.325 2.203 20 5 CEBDRO CC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905643931 636379772 /nfs/dbraw/zinc/37/97/72/636379772.db2.gz OPFWVPSEVCFHKS-GHMZBOCLSA-N 1 0 252.314 2.059 20 5 CEBDRO CSC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905645298 636380323 /nfs/dbraw/zinc/38/03/23/636380323.db2.gz WAMWJQIKICIURV-MNOVXSKESA-N 1 0 284.381 2.012 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCCF)cc1Cl ZINC000827950792 636467834 /nfs/dbraw/zinc/46/78/34/636467834.db2.gz UGGLCNQCPLMJJU-UHFFFAOYSA-N 1 0 276.695 2.324 20 5 CEBDRO [NH3+]CCCCCCCOc1cccnc1[N+](=O)[O-] ZINC000830277944 637027059 /nfs/dbraw/zinc/02/70/59/637027059.db2.gz GBVJPJYZLPFVEU-UHFFFAOYSA-N 1 0 253.302 2.278 20 5 CEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832575199 637617655 /nfs/dbraw/zinc/61/76/55/637617655.db2.gz ZFVUIQNEGYDCFK-QLFBSQMISA-N 1 0 294.351 2.175 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885645 637978157 /nfs/dbraw/zinc/97/81/57/637978157.db2.gz DEXXUAQNEJJWLR-MRCXROJRSA-N 1 0 279.340 2.395 20 5 CEBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCC1 ZINC000911499714 638306036 /nfs/dbraw/zinc/30/60/36/638306036.db2.gz GONSTTOHKJQMEJ-UHFFFAOYSA-N 1 0 292.339 2.059 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000876816354 650445209 /nfs/dbraw/zinc/44/52/09/650445209.db2.gz XTZGHDHXWKVQSS-IUODEOHRSA-N 1 0 278.352 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829744 650450047 /nfs/dbraw/zinc/45/00/47/650450047.db2.gz XSNVWSKUIVTIJS-NEPJUHHUSA-N 1 0 291.351 2.211 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044558638 639341647 /nfs/dbraw/zinc/34/16/47/639341647.db2.gz PEZIZSWZFUNUBN-LBPRGKRZSA-N 1 0 267.304 2.047 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841058435 639635503 /nfs/dbraw/zinc/63/55/03/639635503.db2.gz HAFKWYFGHBAPDT-TVQRCGJNSA-N 1 0 283.759 2.336 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000841103146 639675030 /nfs/dbraw/zinc/67/50/30/639675030.db2.gz MHNCBZZIGNRLFQ-UHFFFAOYSA-N 1 0 298.730 2.251 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104239 639677470 /nfs/dbraw/zinc/67/74/70/639677470.db2.gz VWEGTJXZRNDDDW-BQBZGAKWSA-N 1 0 286.719 2.105 20 5 CEBDRO COC(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000231025230 639821857 /nfs/dbraw/zinc/82/18/57/639821857.db2.gz VQNYIUHDRQKJKA-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO COC(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000231025083 639822818 /nfs/dbraw/zinc/82/28/18/639822818.db2.gz MSJZYHOFROXABY-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO Cc1c(CN2CC[C@@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000842478352 640078035 /nfs/dbraw/zinc/07/80/35/640078035.db2.gz ROLJRUAGBFLXQY-HNNXBMFYSA-N 1 0 275.352 2.231 20 5 CEBDRO CS[C@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877069448 650558195 /nfs/dbraw/zinc/55/81/95/650558195.db2.gz AUCXDNRWYSQFPE-YUVKLTJASA-N 1 0 296.396 2.369 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000843116042 640286376 /nfs/dbraw/zinc/28/63/76/640286376.db2.gz NLKKEFQQNAGELN-SOUVJXGZSA-N 1 0 296.367 2.013 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843132300 640298077 /nfs/dbraw/zinc/29/80/77/640298077.db2.gz RQAXDVZCPWCVNC-UHFFFAOYSA-N 1 0 288.307 2.187 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000843336742 640392957 /nfs/dbraw/zinc/39/29/57/640392957.db2.gz IMLFSFLFCXSJLN-UHFFFAOYSA-N 1 0 297.330 2.160 20 5 CEBDRO C[NH+](C)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193823431 640637512 /nfs/dbraw/zinc/63/75/12/640637512.db2.gz GWXVBENIEKYBJG-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC1(C)CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000877158229 650602899 /nfs/dbraw/zinc/60/28/99/650602899.db2.gz QFXQAMLGHKCFHM-LBPRGKRZSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1c(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000845809606 641097946 /nfs/dbraw/zinc/09/79/46/641097946.db2.gz FGDTXCUUXHFPQW-NEPJUHHUSA-N 1 0 292.335 2.400 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845418 641451093 /nfs/dbraw/zinc/45/10/93/641451093.db2.gz OAQGWGTVKITQBA-GXFFZTMASA-N 1 0 293.323 2.086 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1ccco1 ZINC000848523097 642032119 /nfs/dbraw/zinc/03/21/19/642032119.db2.gz ZRVKUODKFYCREF-GXTWGEPZSA-N 1 0 288.303 2.498 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@]34CCC[NH2+]C4)n2)o1 ZINC000848630537 642082380 /nfs/dbraw/zinc/08/23/80/642082380.db2.gz NSCNTSCUMCAPMY-SDBXPKJASA-N 1 0 290.279 2.095 20 5 CEBDRO CC(C)CCNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000849007592 642224571 /nfs/dbraw/zinc/22/45/71/642224571.db2.gz ZJJDGWSBSKKVCC-UHFFFAOYSA-N 1 0 294.355 2.134 20 5 CEBDRO CCOC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000877468643 650734787 /nfs/dbraw/zinc/73/47/87/650734787.db2.gz LUYUPGGUDYPRTG-YIZWMMSDSA-N 1 0 296.371 2.146 20 5 CEBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877542192 650777977 /nfs/dbraw/zinc/77/79/77/650777977.db2.gz PLNGDHKBFVKARN-LBPRGKRZSA-N 1 0 291.307 2.081 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850545670 642747358 /nfs/dbraw/zinc/74/73/58/642747358.db2.gz QUWJOYNOEDQGKX-PWSUYJOCSA-N 1 0 293.367 2.236 20 5 CEBDRO CS[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000921863411 642762752 /nfs/dbraw/zinc/76/27/52/642762752.db2.gz VLFHCYUYXLDILS-JQWIXIFHSA-N 1 0 284.385 2.055 20 5 CEBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877630616 650822995 /nfs/dbraw/zinc/82/29/95/650822995.db2.gz HIRZELWOXQACAX-GCZXYKMCSA-N 1 0 264.329 2.273 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000852090534 643295538 /nfs/dbraw/zinc/29/55/38/643295538.db2.gz NKDAKYGJCGYTEE-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822854881 643425807 /nfs/dbraw/zinc/42/58/07/643425807.db2.gz VVAUVLPGXYUBPZ-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC34CC4)C2)c1 ZINC000877663368 650839610 /nfs/dbraw/zinc/83/96/10/650839610.db2.gz AUDJZXYFNVDBSK-GCZXYKMCSA-N 1 0 276.340 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852584349 643483061 /nfs/dbraw/zinc/48/30/61/643483061.db2.gz LKUWPWLAZWINRP-OLZOCXBDSA-N 1 0 280.299 2.127 20 5 CEBDRO CC12CC(C1)C[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852786152 643550800 /nfs/dbraw/zinc/55/08/00/643550800.db2.gz KWLFYAJTOHWGED-IWXRYERYSA-N 1 0 262.309 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCc2ccco2)cc1 ZINC000853122558 643666885 /nfs/dbraw/zinc/66/68/85/643666885.db2.gz OORWXFJQTZWOIX-OAHLLOKOSA-N 1 0 290.319 2.444 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459234 643720177 /nfs/dbraw/zinc/72/01/77/643720177.db2.gz AFRPJZWGTKEJGJ-SLEUVZQESA-N 1 0 275.352 2.340 20 5 CEBDRO CC(C)C(N)=[NH+]OCc1ccc(F)cc1[N+](=O)[O-] ZINC000853684904 643863285 /nfs/dbraw/zinc/86/32/85/643863285.db2.gz MEMYJXVRTVVVDZ-UHFFFAOYSA-N 1 0 255.249 2.388 20 5 CEBDRO CC(C)C[C@H](C[NH3+])Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854158590 644001564 /nfs/dbraw/zinc/00/15/64/644001564.db2.gz XVYTZKWDPHCXRG-NSHDSACASA-N 1 0 298.387 2.221 20 5 CEBDRO CCC[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753851337 644285812 /nfs/dbraw/zinc/28/58/12/644285812.db2.gz WFTLDTJGFOWBAY-UHFFFAOYSA-N 1 0 276.296 2.487 20 5 CEBDRO CC1CC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000857239573 644868168 /nfs/dbraw/zinc/86/81/68/644868168.db2.gz CWYGQJGABCEDNR-QIMFLAQGSA-N 1 0 264.325 2.264 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073260 644982843 /nfs/dbraw/zinc/98/28/43/644982843.db2.gz VOXUXDHOQUACJO-ZIAGYGMSSA-N 1 0 264.325 2.359 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000858583623 645211466 /nfs/dbraw/zinc/21/14/66/645211466.db2.gz FBDYEQXKXZDFEE-FBIMIBRVSA-N 1 0 265.313 2.005 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000761112974 645244181 /nfs/dbraw/zinc/24/41/81/645244181.db2.gz LUDHVVRRPVPBCJ-PWSUYJOCSA-N 1 0 286.278 2.215 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1Cl ZINC000761527228 645294149 /nfs/dbraw/zinc/29/41/49/645294149.db2.gz QLOMYNJCHMSXIP-LBPRGKRZSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[N@H+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764922429 645710741 /nfs/dbraw/zinc/71/07/41/645710741.db2.gz XJHZAAVSNRCQQZ-UHFFFAOYSA-N 1 0 292.339 2.179 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000765771999 645807557 /nfs/dbraw/zinc/80/75/57/645807557.db2.gz UIYDDUJZYDVOCI-RYUDHWBXSA-N 1 0 263.341 2.258 20 5 CEBDRO CC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000768337993 646108692 /nfs/dbraw/zinc/10/86/92/646108692.db2.gz XLLCIGMJIXKJCN-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1Cl ZINC000862527560 646483588 /nfs/dbraw/zinc/48/35/88/646483588.db2.gz BNIOQVIEUMTCOH-AOOOYVTPSA-N 1 0 270.716 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)s1 ZINC000863669671 646785918 /nfs/dbraw/zinc/78/59/18/646785918.db2.gz ATGUSFQMCHULTC-MUWHJKNJSA-N 1 0 298.299 2.326 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776485682 647065795 /nfs/dbraw/zinc/06/57/95/647065795.db2.gz UNTROEQIRSODBG-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000782485698 647630049 /nfs/dbraw/zinc/63/00/49/647630049.db2.gz DMATWIGNLRXXRM-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207084 647670460 /nfs/dbraw/zinc/67/04/60/647670460.db2.gz OCSHJPAFUVPVQB-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1 ZINC000866240969 647689452 /nfs/dbraw/zinc/68/94/52/647689452.db2.gz RVSWHAJZLNWZEX-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@H](C)C1 ZINC000866382360 647765975 /nfs/dbraw/zinc/76/59/75/647765975.db2.gz WSBAAYUHPNQLOK-BREBYQMCSA-N 1 0 282.315 2.432 20 5 CEBDRO C/C(=C\C(=O)NC[C@@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785204248 647913980 /nfs/dbraw/zinc/91/39/80/647913980.db2.gz KEXFCZNDRDNOEV-LMMOQWNQSA-N 1 0 291.351 2.064 20 5 CEBDRO CCC[C@H](CC)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943502 647996441 /nfs/dbraw/zinc/99/64/41/647996441.db2.gz XLGARVIFPWTFBI-SWLSCSKDSA-N 1 0 293.367 2.464 20 5 CEBDRO CC[C@H](C)CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984680 648010728 /nfs/dbraw/zinc/01/07/28/648010728.db2.gz QZOZLHNPSTWGBG-XHDPSFHLSA-N 1 0 293.367 2.321 20 5 CEBDRO Cc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000867996077 648015219 /nfs/dbraw/zinc/01/52/19/648015219.db2.gz PETGUVFXYWYULG-UHFFFAOYSA-N 1 0 291.351 2.181 20 5 CEBDRO Cc1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000867995691 648015341 /nfs/dbraw/zinc/01/53/41/648015341.db2.gz HTMSSJLUAIBXSM-UHFFFAOYSA-N 1 0 279.340 2.037 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504250 648195448 /nfs/dbraw/zinc/19/54/48/648195448.db2.gz BZSMLQXNGDYKJB-ZYHUDNBSSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508469 648196483 /nfs/dbraw/zinc/19/64/83/648196483.db2.gz UZENLDJAMBYSAH-TVQRCGJNSA-N 1 0 291.307 2.154 20 5 CEBDRO C[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789757279 648338207 /nfs/dbraw/zinc/33/82/07/648338207.db2.gz LAQMJAZDDWOLBF-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccnc(N)c1 ZINC000791825769 648571945 /nfs/dbraw/zinc/57/19/45/648571945.db2.gz MLZXGHAJSVGUMF-UHFFFAOYSA-N 1 0 287.275 2.237 20 5 CEBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000793396421 648750650 /nfs/dbraw/zinc/75/06/50/648750650.db2.gz ZAYHSGNBYSYDMA-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871150792 649012159 /nfs/dbraw/zinc/01/21/59/649012159.db2.gz SLHJEOWHMMCUAO-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](NC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026490 649244847 /nfs/dbraw/zinc/24/48/47/649244847.db2.gz FJHLHZYHSMHEBH-WDEREUQCSA-N 1 0 281.331 2.479 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000872080885 649267075 /nfs/dbraw/zinc/26/70/75/649267075.db2.gz CJDHHTUDUGVHMP-GGZOMVNGSA-N 1 0 282.365 2.491 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CCC1(C)C ZINC000872293298 649348214 /nfs/dbraw/zinc/34/82/14/649348214.db2.gz OLRMNSQBHRONCX-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000873015957 649531804 /nfs/dbraw/zinc/53/18/04/649531804.db2.gz CRMVUHLEHGZHMW-NSHDSACASA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C(C)C ZINC000873051357 649544399 /nfs/dbraw/zinc/54/43/99/649544399.db2.gz AAAAEIHJYSWQEE-AWEZNQCLSA-N 1 0 266.341 2.318 20 5 CEBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058574 649545897 /nfs/dbraw/zinc/54/58/97/649545897.db2.gz QQBBSNSSQUMRQT-FZMZJTMJSA-N 1 0 298.408 2.414 20 5 CEBDRO Cc1c(C[NH2+][C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000873096389 649558507 /nfs/dbraw/zinc/55/85/07/649558507.db2.gz YMMHYOMBLGVZAR-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO CO[C@@]1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCOC1 ZINC000873107849 649558871 /nfs/dbraw/zinc/55/88/71/649558871.db2.gz REDZWGVRIDDNAA-OAHLLOKOSA-N 1 0 294.351 2.107 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873106647 649559093 /nfs/dbraw/zinc/55/90/93/649559093.db2.gz DMBVQDWLUWPCGL-DHCBQETCSA-N 1 0 264.325 2.320 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000873228973 649600603 /nfs/dbraw/zinc/60/06/03/649600603.db2.gz LSKYLMDMXSOKIM-SMDDNHRTSA-N 1 0 295.770 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000873298323 649633017 /nfs/dbraw/zinc/63/30/17/649633017.db2.gz HKBMIKNABPHSKZ-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000873298312 649633129 /nfs/dbraw/zinc/63/31/29/649633129.db2.gz HKBMIKNABPHSKZ-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000873881492 649728162 /nfs/dbraw/zinc/72/81/62/649728162.db2.gz KJUIAHQSHXTUFL-SECBINFHSA-N 1 0 299.758 2.157 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@@](C)=O ZINC000127157668 651110511 /nfs/dbraw/zinc/11/05/11/651110511.db2.gz KMRSUGCQZLPTQF-YUNKPMOVSA-N 1 0 298.408 2.274 20 5 CEBDRO CCO[C@@H]1C[C@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253300 651151104 /nfs/dbraw/zinc/15/11/04/651151104.db2.gz FQGIVYYRLAWCSY-NWDGAFQWSA-N 1 0 294.355 2.028 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccc([N+](=O)[O-])cc1 ZINC000878660525 651155746 /nfs/dbraw/zinc/15/57/46/651155746.db2.gz UVVJYFZPGZAAIO-GWCFXTLKSA-N 1 0 287.323 2.024 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880132292 651387828 /nfs/dbraw/zinc/38/78/28/651387828.db2.gz OADPYIZTLYMRLZ-GJZGRUSLSA-N 1 0 293.342 2.402 20 5 CEBDRO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000880613524 651471856 /nfs/dbraw/zinc/47/18/56/651471856.db2.gz UNRKHDJNTKHAPE-GFCCVEGCSA-N 1 0 299.415 2.011 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000882018233 651939483 /nfs/dbraw/zinc/93/94/83/651939483.db2.gz RZYYJOFTWPBASY-DTWKUNHWSA-N 1 0 268.292 2.024 20 5 CEBDRO CC(=O)c1c(NCC2([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000882468760 652085979 /nfs/dbraw/zinc/08/59/79/652085979.db2.gz SQLILAXVMITFMO-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882478814 652091119 /nfs/dbraw/zinc/09/11/19/652091119.db2.gz FNXNWFVCFPLLQA-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000882960285 652291033 /nfs/dbraw/zinc/29/10/33/652291033.db2.gz FQFPXODPLFAMRN-CYBMUJFWSA-N 1 0 279.340 2.247 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882961939 652292731 /nfs/dbraw/zinc/29/27/31/652292731.db2.gz BODRRUVKRODAPH-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cs1 ZINC000883269598 652418970 /nfs/dbraw/zinc/41/89/70/652418970.db2.gz PJQZDWZIORRVOU-NSHDSACASA-N 1 0 296.348 2.190 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1C ZINC000884301865 652787300 /nfs/dbraw/zinc/78/73/00/652787300.db2.gz FICMVCXMMXAQPO-NWDGAFQWSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC000884518182 652896257 /nfs/dbraw/zinc/89/62/57/652896257.db2.gz HYZMYBNPCQPPDR-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164630043 719151524 /nfs/dbraw/zinc/15/15/24/719151524.db2.gz FULNUZQBLJDRIJ-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO COCCC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001226768785 805728700 /nfs/dbraw/zinc/72/87/00/805728700.db2.gz SGDJIFQAXSIGPI-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO C[N@@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329987 806697983 /nfs/dbraw/zinc/69/79/83/806697983.db2.gz ANYSJNCLUGRJTM-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)OC(=O)N1CCC(OCCC[N+](C)(C)C)CC1 ZINC001224619098 806868469 /nfs/dbraw/zinc/86/84/69/806868469.db2.gz KRJXOFXZAAKSPT-UHFFFAOYSA-N 1 0 287.424 2.109 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000721880688 806895421 /nfs/dbraw/zinc/89/54/21/806895421.db2.gz VOLLVIDVTJRNKL-GFCCVEGCSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccccc1OC[C@@H](C)OCC[N+](C)(C)C ZINC001224773250 806949833 /nfs/dbraw/zinc/94/98/33/806949833.db2.gz GTZXVAJCNHUVAR-CYBMUJFWSA-N 1 0 268.377 2.185 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@]23C[C@H]2CCC3)cc1 ZINC000693551666 803073808 /nfs/dbraw/zinc/07/38/08/803073808.db2.gz WACZAXJLUQBDKI-YUELXQCFSA-N 1 0 276.336 2.408 20 5 CEBDRO [NH3+]Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1F ZINC001160906293 814264613 /nfs/dbraw/zinc/26/46/13/814264613.db2.gz SEHQWFKOTLRPIN-UHFFFAOYSA-N 1 0 276.271 2.200 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000712593934 814754790 /nfs/dbraw/zinc/75/47/90/814754790.db2.gz GGSIFSBULKBZTK-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217959704 803518094 /nfs/dbraw/zinc/51/80/94/803518094.db2.gz PFSFSGOXBXEIMD-QWRGUYRKSA-N 1 0 268.288 2.290 20 5 CEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC001117747586 814942647 /nfs/dbraw/zinc/94/26/47/814942647.db2.gz QBXQMXULNZRTQJ-VXGBXAGGSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218384540 803594583 /nfs/dbraw/zinc/59/45/83/803594583.db2.gz PXESQZRUSHIGFM-LDWIPMOCSA-N 1 0 276.214 2.353 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nccnc1[N+](=O)[O-] ZINC001167751318 803835563 /nfs/dbraw/zinc/83/55/63/803835563.db2.gz JCPMVKWRLOZMLY-NSHDSACASA-N 1 0 279.344 2.061 20 5 CEBDRO COc1ccc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225769475 805276928 /nfs/dbraw/zinc/27/69/28/805276928.db2.gz LXPVUAHJESLVPP-LBPRGKRZSA-N 1 0 280.324 2.465 20 5 CEBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244450 815078357 /nfs/dbraw/zinc/07/83/57/815078357.db2.gz HIABZLCBEIYVMS-GXSJLCMTSA-N 1 0 291.307 2.393 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226256695 805560526 /nfs/dbraw/zinc/56/05/26/805560526.db2.gz WTDHGNSYMFHFBD-VIFPVBQESA-N 1 0 271.704 2.116 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000696026157 807127123 /nfs/dbraw/zinc/12/71/23/807127123.db2.gz UOPQMQHCWXEVTE-LLVKDONJSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(C)(C)O ZINC001173226888 815630533 /nfs/dbraw/zinc/63/05/33/815630533.db2.gz DALXBFKVVXIGIL-GHMZBOCLSA-N 1 0 266.341 2.275 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716715704 815144210 /nfs/dbraw/zinc/14/42/10/815144210.db2.gz JOGULNHVELPRCD-SNVBAGLBSA-N 1 0 294.685 2.354 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792850 807846022 /nfs/dbraw/zinc/84/60/22/807846022.db2.gz WSJYURYHHMQNBA-KCJUWKMLSA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000716910564 815158814 /nfs/dbraw/zinc/15/88/14/815158814.db2.gz SYDFOJFCRHLGAF-PWSUYJOCSA-N 1 0 252.314 2.234 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC001168601100 808698107 /nfs/dbraw/zinc/69/81/07/808698107.db2.gz HSCFAEIUIUXPER-QWRGUYRKSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700626425 809333216 /nfs/dbraw/zinc/33/32/16/809333216.db2.gz VEXVYUGDLLCDRA-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627981 809333558 /nfs/dbraw/zinc/33/35/58/809333558.db2.gz VSZHIJCFWLNJBO-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC000701043220 809383380 /nfs/dbraw/zinc/38/33/80/809383380.db2.gz PRQSXUNHMVQHMZ-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000708385703 809928596 /nfs/dbraw/zinc/92/85/96/809928596.db2.gz FVKSPRJTXYOEAY-GFCCVEGCSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000711365648 810064037 /nfs/dbraw/zinc/06/40/37/810064037.db2.gz DYJBDUNPFIPRHY-NSHDSACASA-N 1 0 277.324 2.087 20 5 CEBDRO CNc1cc([N+](=O)[O-])cnc1NCC(C)(C)C[NH+](C)C ZINC001168766193 810574438 /nfs/dbraw/zinc/57/44/38/810574438.db2.gz DREASYUNDGUWHX-UHFFFAOYSA-N 1 0 281.360 2.031 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001168768485 810677866 /nfs/dbraw/zinc/67/78/66/810677866.db2.gz XGTSFSGFKPIQBY-UHFFFAOYSA-N 1 0 291.355 2.242 20 5 CEBDRO Cc1cnc(NC[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001155019591 810917206 /nfs/dbraw/zinc/91/72/06/810917206.db2.gz FCKLKVNUFHAJJF-VXGBXAGGSA-N 1 0 278.356 2.346 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155916618 811161659 /nfs/dbraw/zinc/16/16/59/811161659.db2.gz OYLFJLYNHMDUBW-QMMMGPOBSA-N 1 0 272.736 2.314 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000051883186 811191534 /nfs/dbraw/zinc/19/15/34/811191534.db2.gz OBGSFEZVAXBHBO-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO CN(c1ccc2c(cccc2[N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC001156171504 811211477 /nfs/dbraw/zinc/21/14/77/811211477.db2.gz AFUOJOLUUWXTPV-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-n2cnc3ccc(C[NH3+])cc32)n1 ZINC001168844045 811268300 /nfs/dbraw/zinc/26/83/00/811268300.db2.gz GCBJWHAAFFSHSX-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO [NH3+][C@H]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001156233802 811296148 /nfs/dbraw/zinc/29/61/48/811296148.db2.gz XPPCGYOHIHHMJN-VIFPVBQESA-N 1 0 292.726 2.334 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976174 811304825 /nfs/dbraw/zinc/30/48/25/811304825.db2.gz ZCANGLSKSPCCQB-QWRGUYRKSA-N 1 0 280.299 2.043 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001168977056 811307047 /nfs/dbraw/zinc/30/70/47/811307047.db2.gz HJEVKIPQULSYOO-ZIAGYGMSSA-N 1 0 278.352 2.491 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168980614 811307688 /nfs/dbraw/zinc/30/76/88/811307688.db2.gz DZEXJRKGHZQWBZ-MQYQWHSLSA-N 1 0 298.383 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001168981864 811310326 /nfs/dbraw/zinc/31/03/26/811310326.db2.gz HROJEVZCEYTHPJ-CHWSQXEVSA-N 1 0 275.352 2.148 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168985416 811310622 /nfs/dbraw/zinc/31/06/22/811310622.db2.gz FCMQNJBCFQDYKZ-WCQYABFASA-N 1 0 263.341 2.352 20 5 CEBDRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957502 811312538 /nfs/dbraw/zinc/31/25/38/811312538.db2.gz IISZSYJLFOMDST-WCQYABFASA-N 1 0 264.325 2.230 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnc2ccccn21 ZINC001168956250 811313204 /nfs/dbraw/zinc/31/32/04/811313204.db2.gz AMMAOBLVZMHRDV-UPJWGTAASA-N 1 0 288.351 2.430 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001168960014 811313769 /nfs/dbraw/zinc/31/37/69/811313769.db2.gz YZHYFTSMIRKHLW-NXEZZACHSA-N 1 0 270.279 2.500 20 5 CEBDRO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958974 811313989 /nfs/dbraw/zinc/31/39/89/811313989.db2.gz RTZWGOVQQIBHHG-UONOGXRCSA-N 1 0 277.368 2.358 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccn2)C1 ZINC001168962865 811315200 /nfs/dbraw/zinc/31/52/00/811315200.db2.gz NHGQSLIDRSKEBM-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO CCOC(CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168961937 811315766 /nfs/dbraw/zinc/31/57/66/811315766.db2.gz LKHCMEFQDDVBRN-OLZOCXBDSA-N 1 0 288.388 2.201 20 5 CEBDRO COc1ccccc1OCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967176 811318766 /nfs/dbraw/zinc/31/87/66/811318766.db2.gz NWRQVMKNBCGUQN-OLZOCXBDSA-N 1 0 294.351 2.109 20 5 CEBDRO CC(C)Cn1cnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996995 811324800 /nfs/dbraw/zinc/32/48/00/811324800.db2.gz ASKRGVZVHXCFRC-CHWSQXEVSA-N 1 0 280.372 2.074 20 5 CEBDRO CC(C)(Cc1ccccn1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998213 811327063 /nfs/dbraw/zinc/32/70/63/811327063.db2.gz JUHMSPKKJLKTJX-QWHCGFSZSA-N 1 0 277.368 2.438 20 5 CEBDRO Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004143 811331085 /nfs/dbraw/zinc/33/10/85/811331085.db2.gz QCSKUBIDHVTVHB-GHMZBOCLSA-N 1 0 269.370 2.029 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001169005477 811331170 /nfs/dbraw/zinc/33/11/70/811331170.db2.gz UUIDKONDZPDWAF-GIPNMCIBSA-N 1 0 267.304 2.317 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC001169009056 811331936 /nfs/dbraw/zinc/33/19/36/811331936.db2.gz UQDUNWBQZCHZNF-DOMZBBRYSA-N 1 0 260.337 2.490 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006681 811332222 /nfs/dbraw/zinc/33/22/22/811332222.db2.gz IXZJNEKQYGPAAM-WFASDCNBSA-N 1 0 290.363 2.499 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1Cl ZINC001168990495 811338704 /nfs/dbraw/zinc/33/87/04/811338704.db2.gz ZQCJILKLLALCBY-DTWKUNHWSA-N 1 0 282.731 2.095 20 5 CEBDRO C[N@H+](CCc1cccnc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033612 811346260 /nfs/dbraw/zinc/34/62/60/811346260.db2.gz CKOATMMBFHNUGQ-UONOGXRCSA-N 1 0 263.341 2.001 20 5 CEBDRO CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042048 811351224 /nfs/dbraw/zinc/35/12/24/811351224.db2.gz CSRJDLFERHYUGN-KBPBESRZSA-N 1 0 271.405 2.096 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169023899 811354256 /nfs/dbraw/zinc/35/42/56/811354256.db2.gz GKTAXHNNPMPNEY-CVEARBPZSA-N 1 0 295.427 2.240 20 5 CEBDRO CCN(CC)CC[N@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026568 811354532 /nfs/dbraw/zinc/35/45/32/811354532.db2.gz MYCJVBBNHPXSJU-KGLIPLIRSA-N 1 0 271.405 2.096 20 5 CEBDRO CC1(C)C[C@H](Nc2nccnc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169135994 811399427 /nfs/dbraw/zinc/39/94/27/811399427.db2.gz DTHOPBMGDPUROQ-IINYFYTJSA-N 1 0 293.371 2.340 20 5 CEBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[C@](C)(C[NH3+])C1 ZINC001169138925 811401961 /nfs/dbraw/zinc/40/19/61/811401961.db2.gz WSBRVJRXWJNZOC-HZMBPMFUSA-N 1 0 293.371 2.340 20 5 CEBDRO CCOc1cc(-n2ccc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001169235751 811455561 /nfs/dbraw/zinc/45/55/61/811455561.db2.gz ZMCDDGBOWHNBJG-VIFPVBQESA-N 1 0 276.296 2.199 20 5 CEBDRO CCOCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294838 812374427 /nfs/dbraw/zinc/37/44/27/812374427.db2.gz DEJVENGGDHBEOU-NSHDSACASA-N 1 0 282.340 2.161 20 5 CEBDRO CCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304500 812380287 /nfs/dbraw/zinc/38/02/87/812380287.db2.gz CQXDNVZIRQNVIX-AAEUAGOBSA-N 1 0 296.367 2.285 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)CC2COC2)c([N+](=O)[O-])c1 ZINC001170352808 812391970 /nfs/dbraw/zinc/39/19/70/812391970.db2.gz QRZHWSXIZZZWED-NSHDSACASA-N 1 0 294.351 2.113 20 5 CEBDRO CC[C@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157889140 812514391 /nfs/dbraw/zinc/51/43/91/812514391.db2.gz QZOPTDRKUCKUHL-UWVGGRQHSA-N 1 0 293.371 2.308 20 5 CEBDRO C[C@@]1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H](O)C1 ZINC001172899718 815539572 /nfs/dbraw/zinc/53/95/72/815539572.db2.gz BYIFLTAMMZHDAH-FVQBIDKESA-N 1 0 290.363 2.345 20 5 CEBDRO CC(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907918 815540576 /nfs/dbraw/zinc/54/05/76/815540576.db2.gz JQVSBUKVNJGCAT-AWEZNQCLSA-N 1 0 276.336 2.363 20 5 CEBDRO COCC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907054 815541013 /nfs/dbraw/zinc/54/10/13/815541013.db2.gz CDXDQIKFTYOGHC-CQSZACIVSA-N 1 0 278.352 2.420 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](CO)C1)CC2 ZINC001172910337 815559267 /nfs/dbraw/zinc/55/92/67/815559267.db2.gz LQKSSDMFFPOQAZ-SWLSCSKDSA-N 1 0 290.363 2.156 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1ncnc2cc3ccccc3cc21 ZINC001170859526 813545342 /nfs/dbraw/zinc/54/53/42/813545342.db2.gz SEFBAUDDFXCOGU-INIZCTEOSA-N 1 0 282.347 2.252 20 5 CEBDRO CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001171192318 814089077 /nfs/dbraw/zinc/08/90/77/814089077.db2.gz BPNAOTDAMFZCAY-UHFFFAOYSA-N 1 0 278.234 2.158 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000714022164 814882263 /nfs/dbraw/zinc/88/22/63/814882263.db2.gz SHWMCRFMPBGHQG-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO CC(=O)C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222754 815628009 /nfs/dbraw/zinc/62/80/09/815628009.db2.gz VHDKCIGUTHQNLB-SNVBAGLBSA-N 1 0 250.298 2.047 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C2COC2)C1 ZINC001173226632 815631493 /nfs/dbraw/zinc/63/14/93/815631493.db2.gz MXTIDTDXXFWHSQ-NSHDSACASA-N 1 0 276.336 2.104 20 5 CEBDRO COC(C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173234002 815632555 /nfs/dbraw/zinc/63/25/55/815632555.db2.gz NUVFCQJOVMEPDC-LLVKDONJSA-N 1 0 282.340 2.077 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C(F)(F)F ZINC001173234555 815634057 /nfs/dbraw/zinc/63/40/57/815634057.db2.gz PJYSDMSVSBPEEE-KCJUWKMLSA-N 1 0 292.257 2.039 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213684 815636522 /nfs/dbraw/zinc/63/65/22/815636522.db2.gz JUKWPAAKHAXXPD-NWDGAFQWSA-N 1 0 265.357 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H]1O ZINC000601305116 346816145 /nfs/dbraw/zinc/81/61/45/346816145.db2.gz SRVKNTNYCCSOMR-OBJOEFQTSA-N 1 0 262.309 2.085 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127662622 187324703 /nfs/dbraw/zinc/32/47/03/187324703.db2.gz QGZKLVHIWVDLKV-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO COC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103721 282101017 /nfs/dbraw/zinc/10/10/17/282101017.db2.gz BXUMXMUTBOBBIM-NEPJUHHUSA-N 1 0 266.341 2.398 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327428 346822256 /nfs/dbraw/zinc/82/22/56/346822256.db2.gz VYFUWTOZLZASBM-MWLCHTKSSA-N 1 0 283.759 2.275 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000449222137 282147133 /nfs/dbraw/zinc/14/71/33/282147133.db2.gz VOGIPLZYPMZGLM-CYBMUJFWSA-N 1 0 277.368 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000037668604 361921676 /nfs/dbraw/zinc/92/16/76/361921676.db2.gz SUWMCSNAHMODLZ-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000449260807 282161780 /nfs/dbraw/zinc/16/17/80/282161780.db2.gz XYPKLUDHUATQNB-LERXQTSPSA-N 1 0 278.352 2.275 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745071 187198572 /nfs/dbraw/zinc/19/85/72/187198572.db2.gz ZAKYQYLDKDMNPY-WFASDCNBSA-N 1 0 294.351 2.035 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000126041469 187212048 /nfs/dbraw/zinc/21/20/48/187212048.db2.gz QCDRAYAZJIEURL-CABZTGNLSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000041159061 362022443 /nfs/dbraw/zinc/02/24/43/362022443.db2.gz ZOGJJSHFBAJDQH-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000449420747 282228787 /nfs/dbraw/zinc/22/87/87/282228787.db2.gz GLDNQNIVODONNC-MNOVXSKESA-N 1 0 292.257 2.228 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132822065 529694664 /nfs/dbraw/zinc/69/46/64/529694664.db2.gz PEMDYFVXPWOCGH-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000294988270 199286913 /nfs/dbraw/zinc/28/69/13/199286913.db2.gz HKOFYRQPPSCSED-GBIKHYSHSA-N 1 0 280.324 2.259 20 5 CEBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037160759 343425352 /nfs/dbraw/zinc/42/53/52/343425352.db2.gz IYQRGCPMFSOHSJ-FZMZJTMJSA-N 1 0 293.367 2.406 20 5 CEBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000042504477 343451987 /nfs/dbraw/zinc/45/19/87/343451987.db2.gz OWQGDUNHBJWJBV-NSHDSACASA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000047873389 362229129 /nfs/dbraw/zinc/22/91/29/362229129.db2.gz INCJPFJJCACLOX-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000048071241 343525492 /nfs/dbraw/zinc/52/54/92/343525492.db2.gz WVVMYYIKXOCUCT-OCCSQVGLSA-N 1 0 296.367 2.455 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049235278 343536231 /nfs/dbraw/zinc/53/62/31/343536231.db2.gz WGDRIEGCXCTUIJ-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000052072099 343555260 /nfs/dbraw/zinc/55/52/60/343555260.db2.gz LINXATDLCZKIJC-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000449555095 282281548 /nfs/dbraw/zinc/28/15/48/282281548.db2.gz FPDJCLMBXQVENW-OLZOCXBDSA-N 1 0 279.384 2.456 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000601974345 346947712 /nfs/dbraw/zinc/94/77/12/346947712.db2.gz ILLKWUMPLLNQQO-PHIMTYICSA-N 1 0 282.727 2.326 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000601971695 346947149 /nfs/dbraw/zinc/94/71/49/346947149.db2.gz DVTRGHDQNJILIS-VIFPVBQESA-N 1 0 297.380 2.164 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C[NH3+])CCCC1 ZINC000127973624 187344514 /nfs/dbraw/zinc/34/45/14/187344514.db2.gz JUCHGJNXSGFZRV-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000067635462 343741210 /nfs/dbraw/zinc/74/12/10/343741210.db2.gz XYKPVPFQXHGMHA-SNVBAGLBSA-N 1 0 297.380 2.116 20 5 CEBDRO CC(C)(NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000602017226 346960897 /nfs/dbraw/zinc/96/08/97/346960897.db2.gz MWZXVSZDPJYEDK-UHFFFAOYSA-N 1 0 275.352 2.172 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000602027455 346964183 /nfs/dbraw/zinc/96/41/83/346964183.db2.gz SMNFAGPKILZZHV-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO CN1CCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602026790 346964450 /nfs/dbraw/zinc/96/44/50/346964450.db2.gz OHVWLASEJWGFSH-LBPRGKRZSA-N 1 0 263.297 2.018 20 5 CEBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698174 343809463 /nfs/dbraw/zinc/80/94/63/343809463.db2.gz YVXCGURODNBGFH-GXFFZTMASA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000075673794 343861586 /nfs/dbraw/zinc/86/15/86/343861586.db2.gz LJYIHFOYZCLUHC-LBPRGKRZSA-N 1 0 275.352 2.436 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CC2)CC1 ZINC000076665080 343894516 /nfs/dbraw/zinc/89/45/16/343894516.db2.gz KHXAGUKOBFYHBY-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000078744991 343962930 /nfs/dbraw/zinc/96/29/30/343962930.db2.gz KTDLEAMKKUYBLG-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049099991 362338615 /nfs/dbraw/zinc/33/86/15/362338615.db2.gz YMQKHAMHXOHJGW-JTQLQIEISA-N 1 0 280.284 2.009 20 5 CEBDRO COc1cc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000091481706 344164880 /nfs/dbraw/zinc/16/48/80/344164880.db2.gz AXISCRIOEBIJOR-ZDUSSCGKSA-N 1 0 279.340 2.356 20 5 CEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090065081 344135168 /nfs/dbraw/zinc/13/51/68/344135168.db2.gz NCVPKCHUCGVYQC-UHFFFAOYSA-N 1 0 298.346 2.409 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602460197 347042118 /nfs/dbraw/zinc/04/21/18/347042118.db2.gz VTKUXBDXOMZJGQ-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(OCC[C@H]2CC[NH2+]C2)c1 ZINC000122479537 344306547 /nfs/dbraw/zinc/30/65/47/344306547.db2.gz DTYJYNVOVAFRDA-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1cccc(NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000133502938 344368976 /nfs/dbraw/zinc/36/89/76/344368976.db2.gz YQYYOVBTMLNGNB-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000144353336 344407353 /nfs/dbraw/zinc/40/73/53/344407353.db2.gz SFAAOBHSHOGDHA-GFCCVEGCSA-N 1 0 281.381 2.326 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161883593 344465543 /nfs/dbraw/zinc/46/55/43/344465543.db2.gz ZVFRHUNRRBRGSM-HNNXBMFYSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000050162418 362407182 /nfs/dbraw/zinc/40/71/82/362407182.db2.gz YCAJRYQJUWKQIU-WCQYABFASA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cnc(CNCc2cccc([N+](=O)[O-])c2C)o1 ZINC000231650623 344575071 /nfs/dbraw/zinc/57/50/71/344575071.db2.gz JYFSAUHHJMTGKP-UHFFFAOYSA-N 1 0 261.281 2.489 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050104830 362400804 /nfs/dbraw/zinc/40/08/04/362400804.db2.gz ZKMIAIUZLAVIGA-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415297920 529997694 /nfs/dbraw/zinc/99/76/94/529997694.db2.gz OUQLZLUGBUPMBK-VIFPVBQESA-N 1 0 294.355 2.189 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445282 344742377 /nfs/dbraw/zinc/74/23/77/344742377.db2.gz BDUINTVHMWQDMM-IINYFYTJSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524522 347066349 /nfs/dbraw/zinc/06/63/49/347066349.db2.gz LAWSSDGGNMJYJO-SSDOTTSWSA-N 1 0 278.230 2.084 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602552690 347073933 /nfs/dbraw/zinc/07/39/33/347073933.db2.gz IDKVIAGUYCWWLB-NEPJUHHUSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602552693 347074102 /nfs/dbraw/zinc/07/41/02/347074102.db2.gz IDKVIAGUYCWWLB-NWDGAFQWSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1CC[NH3+] ZINC000404292956 344879103 /nfs/dbraw/zinc/87/91/03/344879103.db2.gz VXITZTULSDQQOX-ZJUUUORDSA-N 1 0 297.380 2.246 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000449789690 282368791 /nfs/dbraw/zinc/36/87/91/282368791.db2.gz ICKJFGTZQBFUSZ-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccns2)cc1 ZINC000404449097 344880516 /nfs/dbraw/zinc/88/05/16/344880516.db2.gz PUHASJWEOFUTMF-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602576443 347085523 /nfs/dbraw/zinc/08/55/23/347085523.db2.gz CBSWPLOTNOWFBD-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO CNC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000584698432 344976852 /nfs/dbraw/zinc/97/68/52/344976852.db2.gz UBMHNNZYCOAUQQ-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000588212116 345043060 /nfs/dbraw/zinc/04/30/60/345043060.db2.gz AXRPBPBSUGKICD-ZDUSSCGKSA-N 1 0 296.367 2.457 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CSC3)c2c1 ZINC000589210506 345072158 /nfs/dbraw/zinc/07/21/58/345072158.db2.gz KMPHLOFDCVEZCK-UHFFFAOYSA-N 1 0 277.349 2.324 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590053088 345111611 /nfs/dbraw/zinc/11/16/11/345111611.db2.gz XRCBINWZLMKTTK-CQPIPWFBSA-N 1 0 287.363 2.244 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591141918 345224370 /nfs/dbraw/zinc/22/43/70/345224370.db2.gz QHQIRTBWJRWBIN-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591271682 345236814 /nfs/dbraw/zinc/23/68/14/345236814.db2.gz QADVSBQLMKRPLU-UHFFFAOYSA-N 1 0 292.339 2.248 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591436520 345253795 /nfs/dbraw/zinc/25/37/95/345253795.db2.gz BDUIALWVGAIXRH-NWDGAFQWSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000591440713 345255071 /nfs/dbraw/zinc/25/50/71/345255071.db2.gz MLGWKIAQTUEMLX-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591440638 345255251 /nfs/dbraw/zinc/25/52/51/345255251.db2.gz AZHANZCXTMQLLQ-CQSZACIVSA-N 1 0 261.325 2.175 20 5 CEBDRO CC[C@@H](O)C[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000591742638 345276753 /nfs/dbraw/zinc/27/67/53/345276753.db2.gz JPDIWAVMMZUOOL-GFCCVEGCSA-N 1 0 281.356 2.066 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592329187 345343063 /nfs/dbraw/zinc/34/30/63/345343063.db2.gz OTUOLPCLDKNLOF-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO COc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357098 345344544 /nfs/dbraw/zinc/34/45/44/345344544.db2.gz TYVCLCWKCAWIRA-SECBINFHSA-N 1 0 290.279 2.078 20 5 CEBDRO CC(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592432291 345352493 /nfs/dbraw/zinc/35/24/93/345352493.db2.gz CAMKIYMNDUVRHB-CYBMUJFWSA-N 1 0 263.341 2.025 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493971 345360337 /nfs/dbraw/zinc/36/03/37/345360337.db2.gz MEHFMVARPGRXDC-ZDUSSCGKSA-N 1 0 275.352 2.169 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCC(C)(C)C ZINC000592145333 345328450 /nfs/dbraw/zinc/32/84/50/345328450.db2.gz UBALRULKAQJDFR-UHFFFAOYSA-N 1 0 281.356 2.125 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000593051733 345429078 /nfs/dbraw/zinc/42/90/78/345429078.db2.gz VJFZYYDAUBXYNU-UHFFFAOYSA-N 1 0 276.336 2.332 20 5 CEBDRO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097928102 232188999 /nfs/dbraw/zinc/18/89/99/232188999.db2.gz HOSMIICRNCKFNX-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592832145 345401754 /nfs/dbraw/zinc/40/17/54/345401754.db2.gz RNSRQDJVDXOBHB-LLVKDONJSA-N 1 0 297.380 2.213 20 5 CEBDRO CC(C)C[N@H+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000593480144 345494570 /nfs/dbraw/zinc/49/45/70/345494570.db2.gz MXJIQXQPHURBDM-UHFFFAOYSA-N 1 0 266.345 2.380 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718722 345526675 /nfs/dbraw/zinc/52/66/75/345526675.db2.gz PYVFTRRUUQZVBE-QWRGUYRKSA-N 1 0 270.304 2.274 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593722025 345526969 /nfs/dbraw/zinc/52/69/69/345526969.db2.gz GMUDOPXUXJFZIP-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593902931 345550612 /nfs/dbraw/zinc/55/06/12/345550612.db2.gz KDOPLUQJTOPNJI-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCn3ccnc32)c1 ZINC000594502400 345639143 /nfs/dbraw/zinc/63/91/43/345639143.db2.gz NQHNPANTEUFOFC-CQSZACIVSA-N 1 0 286.335 2.459 20 5 CEBDRO [NH3+]C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594583434 345651477 /nfs/dbraw/zinc/65/14/77/345651477.db2.gz MMXMKKCPHDGQSK-JOAKQRRISA-N 1 0 289.257 2.087 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000594592246 345653774 /nfs/dbraw/zinc/65/37/74/345653774.db2.gz RZRIHFGQNGCJQV-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000058938177 362644648 /nfs/dbraw/zinc/64/46/48/362644648.db2.gz LGDPWPIFFWLIFA-UHFFFAOYSA-N 1 0 280.284 2.009 20 5 CEBDRO C[N@H+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000058858414 362640025 /nfs/dbraw/zinc/64/00/25/362640025.db2.gz CSOXSOJAGVXJPZ-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103940 345742932 /nfs/dbraw/zinc/74/29/32/345742932.db2.gz PGOJRBYVJFWTHE-DRZSPHRISA-N 1 0 250.298 2.159 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000595306548 345759444 /nfs/dbraw/zinc/75/94/44/345759444.db2.gz OLNVHBPTHWMYLA-AWEZNQCLSA-N 1 0 293.342 2.404 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000595293484 345756272 /nfs/dbraw/zinc/75/62/72/345756272.db2.gz ADKYUXPBIFNFFM-UHFFFAOYSA-N 1 0 279.315 2.014 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920959 345702472 /nfs/dbraw/zinc/70/24/72/345702472.db2.gz NHOHMCDOKAQAHL-WCQYABFASA-N 1 0 280.324 2.261 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926852 345704790 /nfs/dbraw/zinc/70/47/90/345704790.db2.gz WATAIKZQVSVQLX-GZZJDILISA-N 1 0 292.335 2.443 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000594933992 345708183 /nfs/dbraw/zinc/70/81/83/345708183.db2.gz BYBVVFBSZYSPOP-JSGCOSHPSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1C ZINC000594940909 345710717 /nfs/dbraw/zinc/71/07/17/345710717.db2.gz VKOMFYYYOIJUOW-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594957551 345716787 /nfs/dbraw/zinc/71/67/87/345716787.db2.gz SNDJIEFQPBEHCC-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594984394 345721557 /nfs/dbraw/zinc/72/15/57/345721557.db2.gz UMMRNPQIDJUJMQ-UHFFFAOYSA-N 1 0 276.336 2.236 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000595005295 345724547 /nfs/dbraw/zinc/72/45/47/345724547.db2.gz BMVRKZZRVFGXGA-CMPLNLGQSA-N 1 0 280.324 2.433 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006934 345725460 /nfs/dbraw/zinc/72/54/60/345725460.db2.gz MXSWBEDTMFFOFT-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000595017316 345728083 /nfs/dbraw/zinc/72/80/83/345728083.db2.gz MJYVWRKUHWAQNC-SNVBAGLBSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000595036133 345732318 /nfs/dbraw/zinc/73/23/18/345732318.db2.gz PNEKHHGCBDOFIV-VHSXEESVSA-N 1 0 266.297 2.043 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056540 345735958 /nfs/dbraw/zinc/73/59/58/345735958.db2.gz LLMYCZPFNJVZDY-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056538 345736268 /nfs/dbraw/zinc/73/62/68/345736268.db2.gz LLMYCZPFNJVZDY-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066255 345738192 /nfs/dbraw/zinc/73/81/92/345738192.db2.gz HBZXUOPRGYEXLC-GWCFXTLKSA-N 1 0 276.336 2.333 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317127 345760571 /nfs/dbraw/zinc/76/05/71/345760571.db2.gz DGMIEZFUTFFHDV-NSHDSACASA-N 1 0 281.331 2.117 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595317126 345760865 /nfs/dbraw/zinc/76/08/65/345760865.db2.gz DGMIEZFUTFFHDV-LLVKDONJSA-N 1 0 281.331 2.117 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595326368 345762309 /nfs/dbraw/zinc/76/23/09/345762309.db2.gz BQYPISFXGATLNN-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000595387223 345772594 /nfs/dbraw/zinc/77/25/94/345772594.db2.gz BYGIPVNAABKTJI-BXUZGUMPSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595470483 345791101 /nfs/dbraw/zinc/79/11/01/345791101.db2.gz WAJMCXAGMSDQRD-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](n2cccn2)C1 ZINC000595495565 345795876 /nfs/dbraw/zinc/79/58/76/345795876.db2.gz VIXHQQPMAVICLP-ZDUSSCGKSA-N 1 0 290.298 2.377 20 5 CEBDRO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595750184 345865824 /nfs/dbraw/zinc/86/58/24/345865824.db2.gz PZWPTKZFZSNBSM-JYAVWHMHSA-N 1 0 278.352 2.086 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c2c(c1)COCO2 ZINC000595809037 345880748 /nfs/dbraw/zinc/88/07/48/345880748.db2.gz RFRZXEBLIQEOEU-QWRGUYRKSA-N 1 0 290.319 2.303 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595872645 345902927 /nfs/dbraw/zinc/90/29/27/345902927.db2.gz KIXYMAZKDPLJLY-FZMZJTMJSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595908754 345911352 /nfs/dbraw/zinc/91/13/52/345911352.db2.gz PXVZPTJEQGEBER-GZMMTYOYSA-N 1 0 291.273 2.477 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595925867 345914487 /nfs/dbraw/zinc/91/44/87/345914487.db2.gz VWMPPHRHIDUYPX-CQSZACIVSA-N 1 0 293.367 2.032 20 5 CEBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596092959 345937909 /nfs/dbraw/zinc/93/79/09/345937909.db2.gz YKHSRRVELLWZIU-GFCCVEGCSA-N 1 0 289.335 2.446 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596105901 345940761 /nfs/dbraw/zinc/94/07/61/345940761.db2.gz QNCRGHNWQMYNJQ-SNVBAGLBSA-N 1 0 269.370 2.495 20 5 CEBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])s1 ZINC000596129382 345946179 /nfs/dbraw/zinc/94/61/79/345946179.db2.gz SXSXGPAULCBEQW-UHFFFAOYSA-N 1 0 299.396 2.487 20 5 CEBDRO CC[NH+](CC)CCSc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596138874 345949484 /nfs/dbraw/zinc/94/94/84/345949484.db2.gz FUAGBENDCKRVSS-UHFFFAOYSA-N 1 0 271.342 2.129 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000128292153 187361982 /nfs/dbraw/zinc/36/19/82/187361982.db2.gz FJOLRAXMANPPFC-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1cccc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596432586 346022547 /nfs/dbraw/zinc/02/25/47/346022547.db2.gz RASMUFJZHYMQGT-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000596453336 346027621 /nfs/dbraw/zinc/02/76/21/346027621.db2.gz JNXCHRNIWOKRBI-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596636506 346069259 /nfs/dbraw/zinc/06/92/59/346069259.db2.gz MTCLNIKQWJFBAZ-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO CC[C@@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596655295 346072938 /nfs/dbraw/zinc/07/29/38/346072938.db2.gz UJXNIFKSBXUSEI-XGTXGMFGSA-N 1 0 275.352 2.388 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000597231103 346155990 /nfs/dbraw/zinc/15/59/90/346155990.db2.gz NNYLBEHMMNYRHU-KBPBESRZSA-N 1 0 276.336 2.372 20 5 CEBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000181080312 232398485 /nfs/dbraw/zinc/39/84/85/232398485.db2.gz HHBIGKGQALJSRI-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO COC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000181076276 232398655 /nfs/dbraw/zinc/39/86/55/232398655.db2.gz RIGCIWXXOJCJAQ-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000295126096 199359362 /nfs/dbraw/zinc/35/93/62/199359362.db2.gz NXLSLZXNYZTCSV-LLVKDONJSA-N 1 0 282.340 2.102 20 5 CEBDRO Cc1sc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597998091 346265776 /nfs/dbraw/zinc/26/57/76/346265776.db2.gz OZGCGGLUZRPOFV-MRVPVSSYSA-N 1 0 285.369 2.035 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041467 362676009 /nfs/dbraw/zinc/67/60/09/362676009.db2.gz MCVJYEJAAYFATE-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO [NH3+][C@]12CCC[C@@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717683 346407092 /nfs/dbraw/zinc/40/70/92/346407092.db2.gz HOIRUVIWAIUHEM-DURLZJIISA-N 1 0 287.363 2.421 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649146 346392877 /nfs/dbraw/zinc/39/28/77/346392877.db2.gz WPUSZKJMHNKURK-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO C/C=C/C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599006364 346445529 /nfs/dbraw/zinc/44/55/29/346445529.db2.gz VZCOLWQNSDFWEH-NSCUHMNNSA-N 1 0 264.281 2.032 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000599010638 346446165 /nfs/dbraw/zinc/44/61/65/346446165.db2.gz SUKNQZWYEAIGHQ-SMDDNHRTSA-N 1 0 280.299 2.391 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916278 346433727 /nfs/dbraw/zinc/43/37/27/346433727.db2.gz WLQSMKZNSFZWGF-UHFFFAOYSA-N 1 0 298.318 2.244 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000598987288 346442799 /nfs/dbraw/zinc/44/27/99/346442799.db2.gz JUAFZBJQBNPBOU-ZDUSSCGKSA-N 1 0 299.321 2.414 20 5 CEBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110254 346461120 /nfs/dbraw/zinc/46/11/20/346461120.db2.gz NCWDDEXMHJUKFL-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C[NH3+])CCCCC1 ZINC000602599539 347094694 /nfs/dbraw/zinc/09/46/94/347094694.db2.gz ATCKCEUMCCHHHB-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO CC[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179696 346474562 /nfs/dbraw/zinc/47/45/62/346474562.db2.gz RCBVOYARYJIFDT-VHSXEESVSA-N 1 0 267.304 2.311 20 5 CEBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000336793134 365814697 /nfs/dbraw/zinc/81/46/97/365814697.db2.gz VOIGCNVJWAYCBU-GFCCVEGCSA-N 1 0 254.261 2.003 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000063218440 362762797 /nfs/dbraw/zinc/76/27/97/362762797.db2.gz DHFZXDVYSVUGKA-OAHLLOKOSA-N 1 0 286.331 2.288 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063191972 362755384 /nfs/dbraw/zinc/75/53/84/362755384.db2.gz RRLCLVSPXKEXSC-MWLCHTKSSA-N 1 0 269.370 2.358 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000599589744 346543094 /nfs/dbraw/zinc/54/30/94/346543094.db2.gz UNKYDBPNOSVSEU-NWDGAFQWSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599622435 346547270 /nfs/dbraw/zinc/54/72/70/346547270.db2.gz DDCGENSZXHUWOU-KZWBYHQPSA-N 1 0 264.325 2.496 20 5 CEBDRO COc1ccc(CN2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000600716128 346677144 /nfs/dbraw/zinc/67/71/44/346677144.db2.gz WNQNVEFWEUIHKQ-AWEZNQCLSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000600776088 346688597 /nfs/dbraw/zinc/68/85/97/346688597.db2.gz WEAZDXUXYGXLGB-IYBDPMFKSA-N 1 0 289.379 2.335 20 5 CEBDRO CCCC[N@H+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601116697 346757978 /nfs/dbraw/zinc/75/79/78/346757978.db2.gz OJJDBSTXUXXYJV-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000601130050 346763349 /nfs/dbraw/zinc/76/33/49/346763349.db2.gz DDGMWLZNXGHTAW-PWSUYJOCSA-N 1 0 294.330 2.049 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165438 346774443 /nfs/dbraw/zinc/77/44/43/346774443.db2.gz OLHUGMQJKCCROM-PWSUYJOCSA-N 1 0 294.330 2.192 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105563 346753930 /nfs/dbraw/zinc/75/39/30/346753930.db2.gz CDNIBTWPAJLXAB-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO C[N@H+](CCNc1ccnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000601108465 346754678 /nfs/dbraw/zinc/75/46/78/346754678.db2.gz KQDFUCMDFFIKNI-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601216210 346791758 /nfs/dbraw/zinc/79/17/58/346791758.db2.gz KCWGJUHNHOCVCO-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000601229467 346796321 /nfs/dbraw/zinc/79/63/21/346796321.db2.gz QQJFZVZRMBYFRU-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236912900 370653542 /nfs/dbraw/zinc/65/35/42/370653542.db2.gz URAZYYLNYWZBGL-PXWWUCIGSA-N 1 0 293.367 2.454 20 5 CEBDRO C[C@H](F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602674006 347136244 /nfs/dbraw/zinc/13/62/44/347136244.db2.gz FTLUWFSHOZHIQN-NSHDSACASA-N 1 0 296.346 2.296 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686655 347146540 /nfs/dbraw/zinc/14/65/40/347146540.db2.gz GCYUDSCKCHXYFX-UHFFFAOYSA-N 1 0 292.339 2.166 20 5 CEBDRO C[C@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602711406 347165052 /nfs/dbraw/zinc/16/50/52/347165052.db2.gz QAPCTOAXBPRBLZ-VIFPVBQESA-N 1 0 291.307 2.081 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000602773026 347191969 /nfs/dbraw/zinc/19/19/69/347191969.db2.gz YKOBKGWGZMPFOL-UHFFFAOYSA-N 1 0 294.277 2.374 20 5 CEBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776987 347194327 /nfs/dbraw/zinc/19/43/27/347194327.db2.gz BNAYESAGCJYWMD-GFCCVEGCSA-N 1 0 266.345 2.339 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801124 347204826 /nfs/dbraw/zinc/20/48/26/347204826.db2.gz ZZVMGRRNCHCMGV-ONGXEEELSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000602801897 347205251 /nfs/dbraw/zinc/20/52/51/347205251.db2.gz VPGJZMSVKKRBGO-MNOVXSKESA-N 1 0 266.345 2.078 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C(C)C ZINC000602760450 347186788 /nfs/dbraw/zinc/18/67/88/347186788.db2.gz OZUWYXXKDNCKGJ-JTQLQIEISA-N 1 0 254.334 2.076 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000128467540 187372418 /nfs/dbraw/zinc/37/24/18/187372418.db2.gz PKTKOLDYHASSOM-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C(C)(C)C ZINC000602872363 347234148 /nfs/dbraw/zinc/23/41/48/347234148.db2.gz VYZFVXXNVONHFB-SECBINFHSA-N 1 0 254.334 2.124 20 5 CEBDRO C[C@](CO)([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602961474 347257669 /nfs/dbraw/zinc/25/76/69/347257669.db2.gz AIIYPVCYJXEVQD-CYBMUJFWSA-N 1 0 270.304 2.142 20 5 CEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000604379719 347412289 /nfs/dbraw/zinc/41/22/89/347412289.db2.gz IBWOLZDNUJGKMM-UTUOFQBUSA-N 1 0 295.387 2.107 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CSCC[NH2+]1 ZINC000603421267 347366191 /nfs/dbraw/zinc/36/61/91/347366191.db2.gz YZDDRZUCQADWKM-SECBINFHSA-N 1 0 287.772 2.365 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)CC(C)C ZINC000603421952 347366515 /nfs/dbraw/zinc/36/65/15/347366515.db2.gz FFGBMPMCKXRUJB-ZDUSSCGKSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000603859538 347392554 /nfs/dbraw/zinc/39/25/54/347392554.db2.gz ANBZKXWYMSNNRP-RYUDHWBXSA-N 1 0 295.387 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C2CC2)CC1 ZINC000450290617 282543893 /nfs/dbraw/zinc/54/38/93/282543893.db2.gz WUWYVBJVEHQBEG-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[NH+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129756631 365891810 /nfs/dbraw/zinc/89/18/10/365891810.db2.gz XHTOGJHSUQFUBM-UHFFFAOYSA-N 1 0 258.709 2.007 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609154025 347629426 /nfs/dbraw/zinc/62/94/26/347629426.db2.gz RHPZOESMFBGYPK-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000609204403 347630633 /nfs/dbraw/zinc/63/06/33/347630633.db2.gz MXINGRWUTFEDHI-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000610420474 347680212 /nfs/dbraw/zinc/68/02/12/347680212.db2.gz RFSVJLAOMCYSDG-GFCCVEGCSA-N 1 0 287.319 2.107 20 5 CEBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610732835 347707559 /nfs/dbraw/zinc/70/75/59/347707559.db2.gz BZVCYRLOYONWGS-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762786 347712780 /nfs/dbraw/zinc/71/27/80/347712780.db2.gz VIWXDRFRNXVMGB-YPMHNXCESA-N 1 0 292.335 2.467 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337473 347767551 /nfs/dbraw/zinc/76/75/51/347767551.db2.gz MSJGISWCQMLZDW-MFKMUULPSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337471 347767591 /nfs/dbraw/zinc/76/75/91/347767591.db2.gz MSJGISWCQMLZDW-GWCFXTLKSA-N 1 0 264.325 2.406 20 5 CEBDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335996 347767709 /nfs/dbraw/zinc/76/77/09/347767709.db2.gz GVMKJCWIFFVJKY-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610990912 347727856 /nfs/dbraw/zinc/72/78/56/347727856.db2.gz UOKXSYZRTKXVLX-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611091778 347739125 /nfs/dbraw/zinc/73/91/25/347739125.db2.gz MPSKCZFGWOGEPJ-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000611222082 347753321 /nfs/dbraw/zinc/75/33/21/347753321.db2.gz ZCUFKNSQWIHMDA-MNOVXSKESA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000611616051 347799208 /nfs/dbraw/zinc/79/92/08/347799208.db2.gz MVLAPCKEHISDIY-GFCCVEGCSA-N 1 0 278.356 2.359 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)n1 ZINC000611616904 347799332 /nfs/dbraw/zinc/79/93/32/347799332.db2.gz WVGPPDVCDFGTCM-UHFFFAOYSA-N 1 0 290.367 2.139 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339361745 215121472 /nfs/dbraw/zinc/12/14/72/215121472.db2.gz LAYKPZDEKCNOHY-UHFFFAOYSA-N 1 0 292.339 2.376 20 5 CEBDRO C[C@@H]1CCCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000614191474 348156581 /nfs/dbraw/zinc/15/65/81/348156581.db2.gz ASLYYLDJHQFZTO-DGCLKSJQSA-N 1 0 266.345 2.350 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000128781648 187389717 /nfs/dbraw/zinc/38/97/17/187389717.db2.gz GEOQNOHJBIIYFI-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000067592373 362913267 /nfs/dbraw/zinc/91/32/67/362913267.db2.gz JQLIPIDVYYBMIQ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)C(F)(F)F ZINC000616487334 348510075 /nfs/dbraw/zinc/51/00/75/348510075.db2.gz YFZUOFZQBLJDSD-USEMIUTHSA-N 1 0 290.241 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CC1)CCC2 ZINC000618571578 348979018 /nfs/dbraw/zinc/97/90/18/348979018.db2.gz NSMQAEWWWVTAEK-CQSZACIVSA-N 1 0 276.336 2.334 20 5 CEBDRO Cc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000357778606 233142080 /nfs/dbraw/zinc/14/20/80/233142080.db2.gz IXNIWEJXEIPRLK-ZYHUDNBSSA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339622947 215272129 /nfs/dbraw/zinc/27/21/29/215272129.db2.gz QVTMBKPBOGYVCV-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)F)c1 ZINC000090322683 179958644 /nfs/dbraw/zinc/95/86/44/179958644.db2.gz MGRPSBRHBPHTJB-DTORHVGOSA-N 1 0 283.278 2.188 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000090539813 180000241 /nfs/dbraw/zinc/00/02/41/180000241.db2.gz VEMGSAYGNASGNZ-SECBINFHSA-N 1 0 266.326 2.204 20 5 CEBDRO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539719 180000387 /nfs/dbraw/zinc/00/03/87/180000387.db2.gz SSXOCMLOVGJTDM-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO CCOC(=O)c1cc(NCC[N@H+](C)CC)ccc1[N+](=O)[O-] ZINC000091461697 180161684 /nfs/dbraw/zinc/16/16/84/180161684.db2.gz IXELGQUVBVPVBI-UHFFFAOYSA-N 1 0 295.339 2.135 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000271328983 191076627 /nfs/dbraw/zinc/07/66/27/191076627.db2.gz PXVQGWSMHPZRNV-ZDUSSCGKSA-N 1 0 279.340 2.036 20 5 CEBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000280020264 282688404 /nfs/dbraw/zinc/68/84/04/282688404.db2.gz HJVMUZFVQSTPSK-AWEZNQCLSA-N 1 0 286.335 2.496 20 5 CEBDRO COc1ccc(CSCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000339743563 215322354 /nfs/dbraw/zinc/32/23/54/215322354.db2.gz TXNRLTFUEKEVFR-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000106865386 186143388 /nfs/dbraw/zinc/14/33/88/186143388.db2.gz OIURQITXYLLJOH-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110647876 186309751 /nfs/dbraw/zinc/30/97/51/186309751.db2.gz PSXSVWLXVQEINC-SNVBAGLBSA-N 1 0 292.339 2.186 20 5 CEBDRO COc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000109804444 186274205 /nfs/dbraw/zinc/27/42/05/186274205.db2.gz FKEQJWNRCKOODP-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000111268114 186382866 /nfs/dbraw/zinc/38/28/66/186382866.db2.gz XFCOGUVPXSTYAB-AAEUAGOBSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000069787028 363001284 /nfs/dbraw/zinc/00/12/84/363001284.db2.gz QJZOAXIPQMRBJQ-GFCCVEGCSA-N 1 0 274.324 2.217 20 5 CEBDRO C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070177142 363048552 /nfs/dbraw/zinc/04/85/52/363048552.db2.gz JJFMCVVRPYQDTA-ZWNOBZJWSA-N 1 0 292.339 2.186 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000070534359 363093470 /nfs/dbraw/zinc/09/34/70/363093470.db2.gz GOWAOXZLPYFVES-ZDUSSCGKSA-N 1 0 263.341 2.298 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236847 187079508 /nfs/dbraw/zinc/07/95/08/187079508.db2.gz KMHRWUSBEHDOBJ-FZMZJTMJSA-N 1 0 280.324 2.051 20 5 CEBDRO CC[NH+](CC)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000165 363191072 /nfs/dbraw/zinc/19/10/72/363191072.db2.gz SQZPNEREDHTYNX-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO Cc1c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131607 198175601 /nfs/dbraw/zinc/17/56/01/198175601.db2.gz LFQXSRLETYHURS-INIZCTEOSA-N 1 0 289.379 2.431 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135209088 187806573 /nfs/dbraw/zinc/80/65/73/187806573.db2.gz PRBANPQFMKZWBA-PWSUYJOCSA-N 1 0 250.298 2.109 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000292169417 198190129 /nfs/dbraw/zinc/19/01/29/198190129.db2.gz PLSDMKWVFVMKLC-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000494459059 290974613 /nfs/dbraw/zinc/97/46/13/290974613.db2.gz TVYSZQIPLMHUJJ-GXTWGEPZSA-N 1 0 280.299 2.391 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000153161011 188067555 /nfs/dbraw/zinc/06/75/55/188067555.db2.gz IBPICQGIIIDRHJ-QWRGUYRKSA-N 1 0 282.340 2.273 20 5 CEBDRO COCC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000158189767 188362384 /nfs/dbraw/zinc/36/23/84/188362384.db2.gz DLJMXDFMKZBOSO-FNORWQNLSA-N 1 0 294.351 2.203 20 5 CEBDRO C[C@H]([N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295183238 199392469 /nfs/dbraw/zinc/39/24/69/199392469.db2.gz QAMRUTRVCMFCCJ-LBPRGKRZSA-N 1 0 296.367 2.455 20 5 CEBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292689919 198378075 /nfs/dbraw/zinc/37/80/75/198378075.db2.gz NKJJZVKZTVMUTR-GFCCVEGCSA-N 1 0 293.367 2.237 20 5 CEBDRO C[C@H](CCn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000159177789 188411866 /nfs/dbraw/zinc/41/18/66/188411866.db2.gz QMSREMZZRPTSRC-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132604643 366157373 /nfs/dbraw/zinc/15/73/73/366157373.db2.gz HLYTWOOURJHKNA-LLVKDONJSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cn(CC[N@@H+](C)Cc2ccc(F)cc2)nc1[N+](=O)[O-] ZINC000337936709 366184615 /nfs/dbraw/zinc/18/46/15/366184615.db2.gz QEMXMJWAFQZIQA-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132728741 366167793 /nfs/dbraw/zinc/16/77/93/366167793.db2.gz AYCONQFLJHVIHD-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000132747744 366168687 /nfs/dbraw/zinc/16/86/87/366168687.db2.gz OUEYHHJLQQMHLC-PRHODGIISA-N 1 0 297.742 2.058 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451543679 283028251 /nfs/dbraw/zinc/02/82/51/283028251.db2.gz LPSHXXLKONFYIB-FZMZJTMJSA-N 1 0 294.351 2.460 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000074772687 363387690 /nfs/dbraw/zinc/38/76/90/363387690.db2.gz XGEYSTPWKFFUNY-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133539959 366234251 /nfs/dbraw/zinc/23/42/51/366234251.db2.gz IZWWGEBWNIBCSO-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163671 540203956 /nfs/dbraw/zinc/20/39/56/540203956.db2.gz HKVXZAPTDQVDKP-ZWNOBZJWSA-N 1 0 291.351 2.362 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000133775066 366253459 /nfs/dbraw/zinc/25/34/59/366253459.db2.gz QIIAPDKODYYQCL-SNVBAGLBSA-N 1 0 277.324 2.252 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892606 366369497 /nfs/dbraw/zinc/36/94/97/366369497.db2.gz VLQUWNQIFWKINC-MNOVXSKESA-N 1 0 291.351 2.221 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507233 291122036 /nfs/dbraw/zinc/12/20/36/291122036.db2.gz LZGLTKXTMXIMDH-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000570668155 299270949 /nfs/dbraw/zinc/27/09/49/299270949.db2.gz FTNHFPFWXSZOBF-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO CC(C)(CO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294923692 199251054 /nfs/dbraw/zinc/25/10/54/199251054.db2.gz YWNSRKHWJFAKFA-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415589042 236683064 /nfs/dbraw/zinc/68/30/64/236683064.db2.gz YLNZSUROKKDXAC-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135706997 366470463 /nfs/dbraw/zinc/47/04/63/366470463.db2.gz HLNKWZKBSDCOFG-RYUDHWBXSA-N 1 0 293.367 2.406 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(SCC[NH+](C)C)c1 ZINC000136306956 366507836 /nfs/dbraw/zinc/50/78/36/366507836.db2.gz OVRINYQNGTUQGL-UHFFFAOYSA-N 1 0 284.337 2.035 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000338895526 366562897 /nfs/dbraw/zinc/56/28/97/366562897.db2.gz XBSUUUAUCFXKOJ-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484292 366589328 /nfs/dbraw/zinc/58/93/28/366589328.db2.gz KYRCECLEBXAOLL-HOSYDEDBSA-N 1 0 250.298 2.423 20 5 CEBDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181403 363704868 /nfs/dbraw/zinc/70/48/68/363704868.db2.gz ZGQCPAVBEMFPRM-BXUZGUMPSA-N 1 0 291.351 2.255 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236960546 370666908 /nfs/dbraw/zinc/66/69/08/370666908.db2.gz URAZYYLNYWZBGL-PUYPPJJSSA-N 1 0 293.367 2.454 20 5 CEBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](C)C ZINC000298248494 200371092 /nfs/dbraw/zinc/37/10/92/200371092.db2.gz MRBQOHIOEGFQKE-GFCCVEGCSA-N 1 0 279.340 2.490 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081520194 363725993 /nfs/dbraw/zinc/72/59/93/363725993.db2.gz PPJQHVNRAJKNPL-GFCCVEGCSA-N 1 0 264.325 2.453 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177597513 189059737 /nfs/dbraw/zinc/05/97/37/189059737.db2.gz QIWRAAIKLKEOSA-CHWSQXEVSA-N 1 0 291.351 2.197 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400144 283554605 /nfs/dbraw/zinc/55/46/05/283554605.db2.gz KTTMXZVSFLCRSA-PWSUYJOCSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571523798 299313911 /nfs/dbraw/zinc/31/39/11/299313911.db2.gz OSBQTFXPGSGMHD-MNOVXSKESA-N 1 0 294.355 2.459 20 5 CEBDRO CO[C@@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182201606 189316960 /nfs/dbraw/zinc/31/69/60/189316960.db2.gz NCDPTZJOQWSQGN-LBPRGKRZSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340157410 366785685 /nfs/dbraw/zinc/78/56/85/366785685.db2.gz WXZPYDGBICBQHN-UPJWGTAASA-N 1 0 292.383 2.190 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428429 189358613 /nfs/dbraw/zinc/35/86/13/189358613.db2.gz HSGGMXKLFIYLGT-ZDUSSCGKSA-N 1 0 252.314 2.154 20 5 CEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000018057002 361514284 /nfs/dbraw/zinc/51/42/84/361514284.db2.gz ADYMXURKZUPNKO-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019803123 361556766 /nfs/dbraw/zinc/55/67/66/361556766.db2.gz ISWPSVOTBWUUIL-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312188 189382821 /nfs/dbraw/zinc/38/28/21/189382821.db2.gz UQPBCDLSYGIUIA-OKAXRFMISA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1nn(C)c(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302111750 201345708 /nfs/dbraw/zinc/34/57/08/201345708.db2.gz AXVJISBUABZFBD-NSHDSACASA-N 1 0 295.387 2.313 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000088147782 363879243 /nfs/dbraw/zinc/87/92/43/363879243.db2.gz SVNIZFWZYJKNOF-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090795017 364064193 /nfs/dbraw/zinc/06/41/93/364064193.db2.gz MXNVLMBECOFMTM-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO COCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000092732755 364102746 /nfs/dbraw/zinc/10/27/46/364102746.db2.gz JAUOZLHHVSBZTA-DHZHZOJOSA-N 1 0 250.298 2.234 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189315368 189529895 /nfs/dbraw/zinc/52/98/95/189529895.db2.gz VWKUEASCUSTJDP-GYSYKLTISA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(NC(=O)CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000094294006 364264921 /nfs/dbraw/zinc/26/49/21/364264921.db2.gz FEOANWOTOYXERO-UHFFFAOYSA-N 1 0 263.297 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CC3)CC2)cc1F ZINC000094774532 364295902 /nfs/dbraw/zinc/29/59/02/364295902.db2.gz PMSHLNFGKJVVBM-UHFFFAOYSA-N 1 0 279.315 2.014 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353189748 219949001 /nfs/dbraw/zinc/94/90/01/219949001.db2.gz GOIGPHABQZZHAT-ZVTBTPLYSA-N 1 0 291.351 2.064 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CC2CC2)CC1 ZINC000103469196 364657282 /nfs/dbraw/zinc/65/72/82/364657282.db2.gz DVAGXYXCLMXLIZ-UHFFFAOYSA-N 1 0 293.342 2.262 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000245408409 370816491 /nfs/dbraw/zinc/81/64/91/370816491.db2.gz HBCWDINMAVUFKD-GXTWGEPZSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236312 366892865 /nfs/dbraw/zinc/89/28/65/366892865.db2.gz YUWSSVRMKQEJMQ-FZMZJTMJSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000159262525 366894873 /nfs/dbraw/zinc/89/48/73/366894873.db2.gz NRTVSRKCMZMMFS-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000120824749 365481718 /nfs/dbraw/zinc/48/17/18/365481718.db2.gz POCYXLHHBHTPQY-FZMZJTMJSA-N 1 0 291.351 2.007 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000160427006 367005670 /nfs/dbraw/zinc/00/56/70/367005670.db2.gz KCXGFQGKGXMPBR-LLVKDONJSA-N 1 0 295.339 2.038 20 5 CEBDRO Cc1nc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000161522307 367094239 /nfs/dbraw/zinc/09/42/39/367094239.db2.gz JCRPVYWZLNDSJX-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000162722044 367184394 /nfs/dbraw/zinc/18/43/94/367184394.db2.gz YSHNVWNBDSEEMD-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215606 367223461 /nfs/dbraw/zinc/22/34/61/367223461.db2.gz UNMPYLKTFWLCNF-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342861732 367576099 /nfs/dbraw/zinc/57/60/99/367576099.db2.gz WNRQRXWUAOLMLA-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343542536 367873309 /nfs/dbraw/zinc/87/33/09/367873309.db2.gz YHDQBHBYSWWNCI-PSASIEDQSA-N 1 0 297.380 2.177 20 5 CEBDRO CCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])COC1 ZINC000343577364 367895570 /nfs/dbraw/zinc/89/55/70/367895570.db2.gz BVFWUWKLOBDKHG-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO CC(=O)c1ccc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343788583 368004929 /nfs/dbraw/zinc/00/49/29/368004929.db2.gz FANMVYIHIUPBCL-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174496807 368031082 /nfs/dbraw/zinc/03/10/82/368031082.db2.gz UVSULHMUUUEGDL-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000175057267 368094237 /nfs/dbraw/zinc/09/42/37/368094237.db2.gz FKCSURBOTSTKFW-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060582 368143272 /nfs/dbraw/zinc/14/32/72/368143272.db2.gz MAVQXMIIIDSDPY-OUCADQQQSA-N 1 0 276.336 2.491 20 5 CEBDRO CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000345349761 368244784 /nfs/dbraw/zinc/24/47/84/368244784.db2.gz QITIJFUXHLMMHO-STQMWFEESA-N 1 0 295.408 2.385 20 5 CEBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176206009 368211946 /nfs/dbraw/zinc/21/19/46/368211946.db2.gz BXLMJGZSJZKKQC-UHFFFAOYSA-N 1 0 254.334 2.158 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C2CCC2)n1 ZINC000176228700 368214644 /nfs/dbraw/zinc/21/46/44/368214644.db2.gz UXKBPYTYLKQCRI-GFCCVEGCSA-N 1 0 264.329 2.056 20 5 CEBDRO CCSCC[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176287071 368219512 /nfs/dbraw/zinc/21/95/12/368219512.db2.gz FRMXEIUWBLVBJO-NSHDSACASA-N 1 0 286.401 2.255 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000182825276 368593594 /nfs/dbraw/zinc/59/35/94/368593594.db2.gz LERWPGYMFRECPO-BXUZGUMPSA-N 1 0 264.325 2.421 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCCn2ccnn2)cccc1[N+](=O)[O-] ZINC000184276544 368684344 /nfs/dbraw/zinc/68/43/44/368684344.db2.gz OAMXCJYLDYUETL-LBPRGKRZSA-N 1 0 289.339 2.236 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186713583 369024984 /nfs/dbraw/zinc/02/49/84/369024984.db2.gz HQUHUIPNEDKWPD-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187317267 369138309 /nfs/dbraw/zinc/13/83/09/369138309.db2.gz ZLAQUTRUIYNTNG-YRGRVCCFSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000349383965 369315877 /nfs/dbraw/zinc/31/58/77/369315877.db2.gz NOKLUDYELQIIKX-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO COC(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000188680630 369394360 /nfs/dbraw/zinc/39/43/60/369394360.db2.gz PZZSKEQSNWFFHE-GQCTYLIASA-N 1 0 290.319 2.151 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000188887629 369424992 /nfs/dbraw/zinc/42/49/92/369424992.db2.gz GFQXUMHPMLRRMP-UHFFFAOYSA-N 1 0 279.340 2.010 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000349955981 369464022 /nfs/dbraw/zinc/46/40/22/369464022.db2.gz ATJCIUQOROMTQA-MRVPVSSYSA-N 1 0 293.348 2.277 20 5 CEBDRO CO[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189311756 369495936 /nfs/dbraw/zinc/49/59/36/369495936.db2.gz BZQLIMIQRMIUQC-DOMZBBRYSA-N 1 0 278.352 2.494 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267464 370982377 /nfs/dbraw/zinc/98/23/77/370982377.db2.gz QBFZJWLBMXKTGM-HONMWMINSA-N 1 0 291.351 2.160 20 5 CEBDRO CCc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000358266886 370983071 /nfs/dbraw/zinc/98/30/71/370983071.db2.gz QCFUGRWOPSNTDX-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189630483 369549472 /nfs/dbraw/zinc/54/94/72/369549472.db2.gz VTOUTWKRVRPYLN-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191221592 369691701 /nfs/dbraw/zinc/69/17/01/369691701.db2.gz FYVVXHUEGRXNDK-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192015285 369764594 /nfs/dbraw/zinc/76/45/94/369764594.db2.gz MLKRJIHTQKFBGO-VXGBXAGGSA-N 1 0 293.367 2.315 20 5 CEBDRO Cn1cncc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000352447332 369736269 /nfs/dbraw/zinc/73/62/69/369736269.db2.gz KNJRIBDIMPAKJP-GQCTYLIASA-N 1 0 272.308 2.131 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352667187 369824727 /nfs/dbraw/zinc/82/47/27/369824727.db2.gz JGRBMMZNNTWEAL-OCCSQVGLSA-N 1 0 294.351 2.339 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000194217483 370015359 /nfs/dbraw/zinc/01/53/59/370015359.db2.gz QLAMCPOXXFMEPQ-NSHDSACASA-N 1 0 282.340 2.417 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194625642 370058391 /nfs/dbraw/zinc/05/83/91/370058391.db2.gz FGOFHCNTRXTQMK-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000218990149 370215502 /nfs/dbraw/zinc/21/55/02/370215502.db2.gz SGRNQNKKFAUGBQ-GFCCVEGCSA-N 1 0 277.368 2.210 20 5 CEBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059566 370217837 /nfs/dbraw/zinc/21/78/37/370217837.db2.gz VWOIIBJESNFCEP-MFKMUULPSA-N 1 0 284.381 2.105 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000354206269 370260835 /nfs/dbraw/zinc/26/08/35/370260835.db2.gz JTDKUHWHQUQVMC-MBNYWOFBSA-N 1 0 294.351 2.065 20 5 CEBDRO CCC[N@H+](CC)CCNCc1csc([N+](=O)[O-])c1 ZINC000223229084 370262746 /nfs/dbraw/zinc/26/27/46/370262746.db2.gz RXUVAEABVKHSBG-UHFFFAOYSA-N 1 0 271.386 2.478 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C(C)(C)O ZINC000227348266 370367602 /nfs/dbraw/zinc/36/76/02/370367602.db2.gz XYXWCBSBPDWALH-UHFFFAOYSA-N 1 0 282.340 2.243 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374771 370369106 /nfs/dbraw/zinc/36/91/06/370369106.db2.gz CXASYQGXAZKBDH-GXTWGEPZSA-N 1 0 277.368 2.476 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714848 370382186 /nfs/dbraw/zinc/38/21/86/370382186.db2.gz XTMPWJVJXBUPGX-UONOGXRCSA-N 1 0 282.340 2.297 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000226518910 370342569 /nfs/dbraw/zinc/34/25/69/370342569.db2.gz PVGUSKGMMHSEPN-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000229162667 370420607 /nfs/dbraw/zinc/42/06/07/370420607.db2.gz ITTUPZDOYUVAHM-UHFFFAOYSA-N 1 0 297.311 2.142 20 5 CEBDRO COc1ccc(C[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000230159922 370443195 /nfs/dbraw/zinc/44/31/95/370443195.db2.gz QDBOGXSLSUQZOC-NSHDSACASA-N 1 0 282.340 2.102 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000230348873 370454023 /nfs/dbraw/zinc/45/40/23/370454023.db2.gz UPWRWDIIHCAPFM-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704245 370466318 /nfs/dbraw/zinc/46/63/18/370466318.db2.gz QOUBQOHLWWRXDU-NSHDSACASA-N 1 0 252.339 2.498 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000230893251 370468050 /nfs/dbraw/zinc/46/80/50/370468050.db2.gz ZYAWWTQVFPZFBT-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000230938961 370471398 /nfs/dbraw/zinc/47/13/98/370471398.db2.gz DAPLITCQMUESCF-UHFFFAOYSA-N 1 0 261.256 2.419 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000232232854 370502404 /nfs/dbraw/zinc/50/24/04/370502404.db2.gz RIDJRUCYIPFUCW-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000343976818 217002205 /nfs/dbraw/zinc/00/22/05/217002205.db2.gz RRWDOBMRLLIQOX-LBPRGKRZSA-N 1 0 278.356 2.006 20 5 CEBDRO CC(C)([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232569848 370507293 /nfs/dbraw/zinc/50/72/93/370507293.db2.gz HWNRQRAEBGSGQH-UHFFFAOYSA-N 1 0 278.234 2.158 20 5 CEBDRO CC[N@H+](CCc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355545098 370595159 /nfs/dbraw/zinc/59/51/59/370595159.db2.gz OANHVNJBOQIRNT-UHFFFAOYSA-N 1 0 294.380 2.454 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)C(C)C ZINC000355545715 370595422 /nfs/dbraw/zinc/59/54/22/370595422.db2.gz OQVZXWPTSDUZFG-JTQLQIEISA-N 1 0 254.334 2.195 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000236247741 370585514 /nfs/dbraw/zinc/58/55/14/370585514.db2.gz MVICCQZXZBTJHC-GXTWGEPZSA-N 1 0 280.299 2.391 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCOC1 ZINC000236858375 370641647 /nfs/dbraw/zinc/64/16/47/370641647.db2.gz LLYNBXXWHLRUFJ-GFCCVEGCSA-N 1 0 280.324 2.262 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248344030 371177274 /nfs/dbraw/zinc/17/72/74/371177274.db2.gz LBFRXXLXZXVGDH-IUODEOHRSA-N 1 0 286.335 2.484 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000249028074 371283805 /nfs/dbraw/zinc/28/38/05/371283805.db2.gz LETHTTKMEPVOJE-CLLJXQQHSA-N 1 0 294.351 2.207 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249115903 371296680 /nfs/dbraw/zinc/29/66/80/371296680.db2.gz RWODQTORMUVACP-BXUZGUMPSA-N 1 0 292.335 2.226 20 5 CEBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000359220211 371381124 /nfs/dbraw/zinc/38/11/24/371381124.db2.gz OGAFCGZHGBPNKC-LBPRGKRZSA-N 1 0 265.313 2.182 20 5 CEBDRO C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200965 371501900 /nfs/dbraw/zinc/50/19/00/371501900.db2.gz XJXHMUSTONPBOU-GXSJLCMTSA-N 1 0 269.370 2.073 20 5 CEBDRO CCOC(=O)CN(CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254935549 371541941 /nfs/dbraw/zinc/54/19/41/371541941.db2.gz HJWYEHGRNFOWON-CLFYSBASSA-N 1 0 292.335 2.493 20 5 CEBDRO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695815 371703594 /nfs/dbraw/zinc/70/35/94/371703594.db2.gz LAJFRUOYJDHWKB-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361592771 371960008 /nfs/dbraw/zinc/96/00/08/371960008.db2.gz WRDDJQSRXAPVCL-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130899 217063628 /nfs/dbraw/zinc/06/36/28/217063628.db2.gz IIJDUXOVEWSJLI-DGCLKSJQSA-N 1 0 278.352 2.496 20 5 CEBDRO COC(=O)[C@@]1(F)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665002 372078477 /nfs/dbraw/zinc/07/84/77/372078477.db2.gz NNZOJPIWLYALLN-IINYFYTJSA-N 1 0 296.298 2.243 20 5 CEBDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268795892 372226478 /nfs/dbraw/zinc/22/64/78/372226478.db2.gz DLLCYRHWSNUUQY-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344422874 217187310 /nfs/dbraw/zinc/18/73/10/217187310.db2.gz CNWNMQSSMNTZKD-LBPRGKRZSA-N 1 0 264.329 2.276 20 5 CEBDRO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269968870 372618336 /nfs/dbraw/zinc/61/83/36/372618336.db2.gz PZXJRNLYJFBPLT-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO COc1cc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000364297827 372718934 /nfs/dbraw/zinc/71/89/34/372718934.db2.gz BJCJETGCZFVNFU-FZMZJTMJSA-N 1 0 291.351 2.134 20 5 CEBDRO CC[C@@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344755645 217299590 /nfs/dbraw/zinc/29/95/90/217299590.db2.gz DEUSDAQUJLDEJP-HJTPGIPUSA-N 1 0 264.325 2.359 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCCO1 ZINC000344797990 217314933 /nfs/dbraw/zinc/31/49/33/217314933.db2.gz XDJZRTMUXDQVNY-CUXKMMBLSA-N 1 0 292.335 2.003 20 5 CEBDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961304 373735235 /nfs/dbraw/zinc/73/52/35/373735235.db2.gz SMCZYRIPSDJOCJ-CHWSQXEVSA-N 1 0 296.367 2.311 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275387028 374215660 /nfs/dbraw/zinc/21/56/60/374215660.db2.gz PWPBAXVDKDUMQU-LLVKDONJSA-N 1 0 290.367 2.093 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000374047849 374474418 /nfs/dbraw/zinc/47/44/18/374474418.db2.gz CWASAOVVZHXIDE-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000277968998 374697278 /nfs/dbraw/zinc/69/72/78/374697278.db2.gz SNXFWQCBLLGYMN-RISCZKNCSA-N 1 0 264.325 2.418 20 5 CEBDRO C[N@H+]1CC=C(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278148953 374734739 /nfs/dbraw/zinc/73/47/39/374734739.db2.gz BELPVDKMSUNHMV-UHFFFAOYSA-N 1 0 288.351 2.237 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000278157064 374735844 /nfs/dbraw/zinc/73/58/44/374735844.db2.gz AUVRODISVJSROS-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO COC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000378005630 374998815 /nfs/dbraw/zinc/99/88/15/374998815.db2.gz ZGMLUYCVZIHFBF-CYBMUJFWSA-N 1 0 292.335 2.226 20 5 CEBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000280534325 375235474 /nfs/dbraw/zinc/23/54/74/375235474.db2.gz RYNJMDWRRAHMGN-HZRUHFOJSA-N 1 0 276.336 2.311 20 5 CEBDRO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386129302 375253177 /nfs/dbraw/zinc/25/31/77/375253177.db2.gz OGZSUTBPDFHFKR-DOMZBBRYSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851286 375594430 /nfs/dbraw/zinc/59/44/30/375594430.db2.gz UCYJKMHOZWLWLF-MNOVXSKESA-N 1 0 297.330 2.028 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937038 375618682 /nfs/dbraw/zinc/61/86/82/375618682.db2.gz YQIXRXFLUGIUQK-GWCFXTLKSA-N 1 0 297.330 2.110 20 5 CEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283197055 375671581 /nfs/dbraw/zinc/67/15/81/375671581.db2.gz RDPAHDMHZSLYRG-AWEZNQCLSA-N 1 0 296.298 2.119 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921974 375781397 /nfs/dbraw/zinc/78/13/97/375781397.db2.gz DRJIZCVWVZFVPP-NXEZZACHSA-N 1 0 289.339 2.322 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283939987 375784327 /nfs/dbraw/zinc/78/43/27/375784327.db2.gz FJLSDFMIFJYSPS-WFBYXXMGSA-N 1 0 279.340 2.131 20 5 CEBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000284055048 375803136 /nfs/dbraw/zinc/80/31/36/375803136.db2.gz SPWAYOFGFBZEKP-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328684 375832457 /nfs/dbraw/zinc/83/24/57/375832457.db2.gz AUBFBXFZBMDARV-RYUDHWBXSA-N 1 0 293.367 2.467 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414537427 375840886 /nfs/dbraw/zinc/84/08/86/375840886.db2.gz YZCWDIAURMFAKF-ZIAGYGMSSA-N 1 0 266.341 2.480 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286267230 375892128 /nfs/dbraw/zinc/89/21/28/375892128.db2.gz NLXZJWAJAFXSTA-MRVPVSSYSA-N 1 0 295.368 2.352 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000286461259 375960990 /nfs/dbraw/zinc/96/09/90/375960990.db2.gz KIRSVOAOPOMNLG-UNPMEBSKSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1c(NC(=O)NC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414706992 375931531 /nfs/dbraw/zinc/93/15/31/375931531.db2.gz OXCAGLZUPAFJDE-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000414710077 375935832 /nfs/dbraw/zinc/93/58/32/375935832.db2.gz RJJUORCAAUPAJX-LLVKDONJSA-N 1 0 294.355 2.398 20 5 CEBDRO O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000261638986 190042185 /nfs/dbraw/zinc/04/21/85/190042185.db2.gz WTGWAICTXRSIDL-JTQLQIEISA-N 1 0 263.297 2.066 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCN(C)C)cccc1[N+](=O)[O-] ZINC000287216169 376176307 /nfs/dbraw/zinc/17/63/07/376176307.db2.gz XFNJWCAEVXNCTP-NSHDSACASA-N 1 0 251.330 2.115 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262607565 190058190 /nfs/dbraw/zinc/05/81/90/190058190.db2.gz CBBWWCFMAMAYTN-UHTWSYAYSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287366815 376216156 /nfs/dbraw/zinc/21/61/56/376216156.db2.gz HNXJOVYGUCVCTM-GFCCVEGCSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887411 376529686 /nfs/dbraw/zinc/52/96/86/376529686.db2.gz YWAWHLVEDVELDU-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO [NH3+]CCN(C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000289877074 376541276 /nfs/dbraw/zinc/54/12/76/376541276.db2.gz RRDCKSLMTWHNBQ-LBPRGKRZSA-N 1 0 277.324 2.053 20 5 CEBDRO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+](C)C ZINC000310137523 376614701 /nfs/dbraw/zinc/61/47/01/376614701.db2.gz CCUPXRKLMWMIGX-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000311962476 376695649 /nfs/dbraw/zinc/69/56/49/376695649.db2.gz PFSACOKOWLLCHH-OCCSQVGLSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420946963 376745044 /nfs/dbraw/zinc/74/50/44/376745044.db2.gz SRBNBTWYAFPLHE-RYUDHWBXSA-N 1 0 294.351 2.054 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421004002 376779153 /nfs/dbraw/zinc/77/91/53/376779153.db2.gz NRSANWFUANUTRN-CQSZACIVSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422950081 376873228 /nfs/dbraw/zinc/87/32/28/376873228.db2.gz VDWZBOPLCSYZGB-STQMWFEESA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000423142934 377041128 /nfs/dbraw/zinc/04/11/28/377041128.db2.gz BTLMLTQSBUFBID-WDMOLILDSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000291292836 377161903 /nfs/dbraw/zinc/16/19/03/377161903.db2.gz RHNZCVPFEIBBBK-GHMZBOCLSA-N 1 0 252.314 2.277 20 5 CEBDRO CC[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244077 377164916 /nfs/dbraw/zinc/16/49/16/377164916.db2.gz XIRSMSSAKOAIAV-JSGCOSHPSA-N 1 0 263.341 2.388 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H](NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423246666 377166593 /nfs/dbraw/zinc/16/65/93/377166593.db2.gz ZRFDNONGMSMHKG-CABCVRRESA-N 1 0 289.379 2.258 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264846325 190138960 /nfs/dbraw/zinc/13/89/60/190138960.db2.gz BGOWHXAXWHPAAT-BCPZQOPPSA-N 1 0 291.351 2.064 20 5 CEBDRO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[S@](C)=O ZINC000563415587 377217360 /nfs/dbraw/zinc/21/73/60/377217360.db2.gz DJTCDSQDPDRVBX-FBWDIHGXSA-N 1 0 296.392 2.329 20 5 CEBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000331168135 377311433 /nfs/dbraw/zinc/31/14/33/377311433.db2.gz NVZRUUAAOIGMSG-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000278155360 193846085 /nfs/dbraw/zinc/84/60/85/193846085.db2.gz AUVRODISVJSROS-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO COc1cc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000293106548 377430784 /nfs/dbraw/zinc/43/07/84/377430784.db2.gz PYUINSNJNWFBOT-JTQLQIEISA-N 1 0 297.330 2.130 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564584040 377411849 /nfs/dbraw/zinc/41/18/49/377411849.db2.gz DGBNRLJJMYLLRA-LLVKDONJSA-N 1 0 291.351 2.500 20 5 CEBDRO Cc1noc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332073491 377509631 /nfs/dbraw/zinc/50/96/31/377509631.db2.gz DOZDYFUOLYHYMH-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000293336478 377526593 /nfs/dbraw/zinc/52/65/93/377526593.db2.gz GVZZFFMGAFZLKI-WDEREUQCSA-N 1 0 250.298 2.314 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313187067 249389536 /nfs/dbraw/zinc/38/95/36/249389536.db2.gz ZDDADNVCKWFSIZ-QWHCGFSZSA-N 1 0 270.304 2.373 20 5 CEBDRO CCC1(CC)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000438505533 377904651 /nfs/dbraw/zinc/90/46/51/377904651.db2.gz BYGSZCRYQQGXAB-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112594 377909306 /nfs/dbraw/zinc/90/93/06/377909306.db2.gz KDDVDQHZQCYFGN-KOLCDFICSA-N 1 0 267.329 2.253 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000294664335 378005956 /nfs/dbraw/zinc/00/59/56/378005956.db2.gz HLGMVIRFQDNDGH-ZDUSSCGKSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295216436 378052675 /nfs/dbraw/zinc/05/26/75/378052675.db2.gz MEGBJDVVPCWHIF-VIFPVBQESA-N 1 0 291.307 2.198 20 5 CEBDRO CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000295252496 378071696 /nfs/dbraw/zinc/07/16/96/378071696.db2.gz FFJHIWRSFGRZBK-GXFFZTMASA-N 1 0 279.340 2.112 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450307926 378349300 /nfs/dbraw/zinc/34/93/00/378349300.db2.gz IKXDUQMRQXYJDW-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1=CC[N@H+](C)CC1 ZINC000450439028 378418126 /nfs/dbraw/zinc/41/81/26/378418126.db2.gz WQAAPQMYLFENDS-SNVBAGLBSA-N 1 0 262.313 2.052 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)c2nccn21 ZINC000450828828 378599556 /nfs/dbraw/zinc/59/95/56/378599556.db2.gz LEUXECGTQDTICU-WPRPVWTQSA-N 1 0 259.269 2.304 20 5 CEBDRO CC(C)OCC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107143 378710173 /nfs/dbraw/zinc/71/01/73/378710173.db2.gz XYZRKFBPRYRIPO-SWLSCSKDSA-N 1 0 296.367 2.421 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000453112929 378807287 /nfs/dbraw/zinc/80/72/87/378807287.db2.gz UDUZNMLBOOSDKS-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257402 378844947 /nfs/dbraw/zinc/84/49/47/378844947.db2.gz NDMDKJULXSZNPW-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453627185 378926575 /nfs/dbraw/zinc/92/65/75/378926575.db2.gz HWVDSJMLBVZLIL-CUCMZFDFSA-N 1 0 276.336 2.359 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000347030745 218098942 /nfs/dbraw/zinc/09/89/42/218098942.db2.gz XVAABFPCLPLQLM-AWEZNQCLSA-N 1 0 277.368 2.335 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)C1 ZINC000347345995 218199448 /nfs/dbraw/zinc/19/94/48/218199448.db2.gz VDEPNAZFVVRNAP-DPQIITEBSA-N 1 0 262.309 2.065 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347460797 218243796 /nfs/dbraw/zinc/24/37/96/218243796.db2.gz VQBQCIBJVYXJHK-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289456517 197355110 /nfs/dbraw/zinc/35/51/10/197355110.db2.gz CBXIHZOJUBIJRW-STQMWFEESA-N 1 0 277.324 2.167 20 5 CEBDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000510093156 379113185 /nfs/dbraw/zinc/11/31/85/379113185.db2.gz FURWOATZNPOYSP-TXEJJXNPSA-N 1 0 280.324 2.213 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000347467804 218246154 /nfs/dbraw/zinc/24/61/54/218246154.db2.gz FDIVZZMBQMOYAM-VIFPVBQESA-N 1 0 258.343 2.249 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000301246952 379233220 /nfs/dbraw/zinc/23/32/20/379233220.db2.gz HYICIBMRYMPMGO-GFCCVEGCSA-N 1 0 295.387 2.313 20 5 CEBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301256152 379235736 /nfs/dbraw/zinc/23/57/36/379235736.db2.gz FSFPWFUOZKIQQB-UHFFFAOYSA-N 1 0 295.387 2.313 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000517683017 379372863 /nfs/dbraw/zinc/37/28/63/379372863.db2.gz UWNWKTFOTDWMPF-GFCCVEGCSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000518533276 379391330 /nfs/dbraw/zinc/39/13/30/379391330.db2.gz SKEPELKGKYVHGU-VHSXEESVSA-N 1 0 280.328 2.151 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835719 190283567 /nfs/dbraw/zinc/28/35/67/190283567.db2.gz JXQXCSMRJPTNPC-NWDGAFQWSA-N 1 0 278.356 2.217 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000267015016 190297376 /nfs/dbraw/zinc/29/73/76/190297376.db2.gz INVAZBZDDLLDAK-UHFFFAOYSA-N 1 0 279.315 2.014 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305206585 379683586 /nfs/dbraw/zinc/68/35/86/379683586.db2.gz YEDHTKDJNUVZFN-FZMZJTMJSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)O ZINC000267183766 190309399 /nfs/dbraw/zinc/30/93/99/190309399.db2.gz ZYQMHQWAPWXHAU-SNVBAGLBSA-N 1 0 252.314 2.359 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305177251 379673355 /nfs/dbraw/zinc/67/33/55/379673355.db2.gz LZWSKRKHTHBEKR-NHYWBVRUSA-N 1 0 278.352 2.496 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000458180522 380033122 /nfs/dbraw/zinc/03/31/22/380033122.db2.gz YTDINPIHFDWFIM-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167094 190382681 /nfs/dbraw/zinc/38/26/81/190382681.db2.gz PTMRZLGBGBUCSE-ZWNOBZJWSA-N 1 0 261.325 2.489 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891206 380285754 /nfs/dbraw/zinc/28/57/54/380285754.db2.gz WQFRKPCXRLDEMU-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543739754 380341986 /nfs/dbraw/zinc/34/19/86/380341986.db2.gz KUMFFTMHXBFTEF-SNVBAGLBSA-N 1 0 289.339 2.223 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414660574 533022467 /nfs/dbraw/zinc/02/24/67/533022467.db2.gz OQDYMLLPYZHQGY-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](C2CC2)CC1 ZINC000178835193 285090865 /nfs/dbraw/zinc/09/08/65/285090865.db2.gz UCYAMNYRQKTXQW-UHFFFAOYSA-N 1 0 296.758 2.318 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000289427719 197342082 /nfs/dbraw/zinc/34/20/82/197342082.db2.gz VICQXCDBJQTPMQ-SNVBAGLBSA-N 1 0 252.314 2.186 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000226775123 285180664 /nfs/dbraw/zinc/18/06/64/285180664.db2.gz JYNNIUWYJBIXLV-RKDXNWHRSA-N 1 0 268.342 2.090 20 5 CEBDRO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281306021 195188989 /nfs/dbraw/zinc/18/89/89/195188989.db2.gz HTJPFWKUYXVMGH-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CSCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282400766 195598503 /nfs/dbraw/zinc/59/85/03/195598503.db2.gz HTBGLIWXTLIVLL-UHFFFAOYSA-N 1 0 254.355 2.432 20 5 CEBDRO C[C@@H](O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354804604 533589941 /nfs/dbraw/zinc/58/99/41/533589941.db2.gz HHZTUSCMQYWJEP-LLVKDONJSA-N 1 0 264.325 2.114 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000412100332 533557736 /nfs/dbraw/zinc/55/77/36/533557736.db2.gz XMYUBJCMBGRIGL-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000237806845 131058476 /nfs/dbraw/zinc/05/84/76/131058476.db2.gz MEVQKNPVESBRSJ-UHFFFAOYSA-N 1 0 263.297 2.195 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277281147 291997989 /nfs/dbraw/zinc/99/79/89/291997989.db2.gz YVJZZSFBEKXMBX-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413090459 394482350 /nfs/dbraw/zinc/48/23/50/394482350.db2.gz IXKUBGNSMBVWPP-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000235647565 394484099 /nfs/dbraw/zinc/48/40/99/394484099.db2.gz RPWZZLRHZBFHRZ-GXFFZTMASA-N 1 0 291.351 2.103 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238003938 394493855 /nfs/dbraw/zinc/49/38/55/394493855.db2.gz NFWQRAQGOUUYOV-UFBFGSQYSA-N 1 0 297.742 2.105 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413266774 394515970 /nfs/dbraw/zinc/51/59/70/394515970.db2.gz KRMNULLTKDCVQU-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421704470 394569573 /nfs/dbraw/zinc/56/95/73/394569573.db2.gz OQMPWFYICODDBD-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413309017 394522641 /nfs/dbraw/zinc/52/26/41/394522641.db2.gz ALNBFQWYYDXZGO-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421411235 394527294 /nfs/dbraw/zinc/52/72/94/394527294.db2.gz QIMMOVXQHQSELO-OAHLLOKOSA-N 1 0 277.368 2.429 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000315043429 394544576 /nfs/dbraw/zinc/54/45/76/394544576.db2.gz XVDKAKRZSTVILZ-JTQLQIEISA-N 1 0 297.330 2.192 20 5 CEBDRO CC(C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049442762 394547435 /nfs/dbraw/zinc/54/74/35/394547435.db2.gz JGGWEWJFDPVKQU-UHFFFAOYSA-N 1 0 265.313 2.121 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356771612 394609044 /nfs/dbraw/zinc/60/90/44/394609044.db2.gz LJNTYAUWKRTDSM-NSHDSACASA-N 1 0 279.340 2.053 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331263670 394629605 /nfs/dbraw/zinc/62/96/05/394629605.db2.gz FYQHLAVFRMHNOU-FZMZJTMJSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000267205445 394673780 /nfs/dbraw/zinc/67/37/80/394673780.db2.gz KGDQYEWRBSAHKF-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422796004 394792204 /nfs/dbraw/zinc/79/22/04/394792204.db2.gz XHTXZQHYRJNHNT-LLVKDONJSA-N 1 0 286.335 2.296 20 5 CEBDRO Cc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414905249 394797622 /nfs/dbraw/zinc/79/76/22/394797622.db2.gz OFUOOSZYCCFIEC-HNNXBMFYSA-N 1 0 277.368 2.383 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000122109102 394809475 /nfs/dbraw/zinc/80/94/75/394809475.db2.gz FMTZXQMVNBYFQF-GFCCVEGCSA-N 1 0 285.369 2.150 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272837 394811268 /nfs/dbraw/zinc/81/12/68/394811268.db2.gz ZAXXZKSBQOOHOJ-WCQYABFASA-N 1 0 275.352 2.310 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414972122 394832719 /nfs/dbraw/zinc/83/27/19/394832719.db2.gz MBQDUPWXOXTKJJ-AWEZNQCLSA-N 1 0 277.368 2.381 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000278834480 394837183 /nfs/dbraw/zinc/83/71/83/394837183.db2.gz VHBTUPXZCKUJBG-AOOOYVTPSA-N 1 0 281.743 2.246 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000415030089 394854887 /nfs/dbraw/zinc/85/48/87/394854887.db2.gz BUNRFGHTWVVZSU-BRLPQQTGSA-N 1 0 275.352 2.338 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282156147 394911855 /nfs/dbraw/zinc/91/18/55/394911855.db2.gz CJYOOXUYKBDBHP-LBPRGKRZSA-N 1 0 278.356 2.098 20 5 CEBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CCC1 ZINC000282197340 394913094 /nfs/dbraw/zinc/91/30/94/394913094.db2.gz HTWFIDMYQFIYOG-UHFFFAOYSA-N 1 0 264.329 2.073 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419806 394930055 /nfs/dbraw/zinc/93/00/55/394930055.db2.gz RIAOFQGMOAXLCW-PWSUYJOCSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415484855 394936817 /nfs/dbraw/zinc/93/68/17/394936817.db2.gz ORXOEQGWYYNMCF-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415499185 394938461 /nfs/dbraw/zinc/93/84/61/394938461.db2.gz JSQCNMQQRGNTGK-WDEREUQCSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415504126 394938995 /nfs/dbraw/zinc/93/89/95/394938995.db2.gz OWQKUEQCMDFDIJ-LLVKDONJSA-N 1 0 294.355 2.398 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966356 394939248 /nfs/dbraw/zinc/93/92/48/394939248.db2.gz FDIYVDFUQPGBEE-CABZTGNLSA-N 1 0 295.295 2.018 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415510798 394940032 /nfs/dbraw/zinc/94/00/32/394940032.db2.gz ZTKWVYOBEICSBZ-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285999692 394998484 /nfs/dbraw/zinc/99/84/84/394998484.db2.gz GEFOYAUYDCENJB-WDEREUQCSA-N 1 0 284.385 2.055 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834822 394998580 /nfs/dbraw/zinc/99/85/80/394998580.db2.gz CYAMXRGGSBEBGB-GFCCVEGCSA-N 1 0 299.758 2.382 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423698195 394969266 /nfs/dbraw/zinc/96/92/66/394969266.db2.gz MMIMOHSUWKOIDF-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000285885278 394978804 /nfs/dbraw/zinc/97/88/04/394978804.db2.gz JRGMQFJWKTTZMC-BXKDBHETSA-N 1 0 282.365 2.445 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416291325 395048242 /nfs/dbraw/zinc/04/82/42/395048242.db2.gz OHJBDBIEVQWKEU-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000287372508 395040321 /nfs/dbraw/zinc/04/03/21/395040321.db2.gz MLWKRPCUDDJUOB-GFCCVEGCSA-N 1 0 266.341 2.230 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173448517 395114092 /nfs/dbraw/zinc/11/40/92/395114092.db2.gz GRHCPFNTAATHQS-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO COc1cc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000397916720 395229240 /nfs/dbraw/zinc/22/92/40/395229240.db2.gz IVRSTNUWQHAREM-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO CC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000433145207 395202916 /nfs/dbraw/zinc/20/29/16/395202916.db2.gz FXYKWPWUECAEIG-UONOGXRCSA-N 1 0 293.367 2.393 20 5 CEBDRO CCn1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000433194628 395208800 /nfs/dbraw/zinc/20/88/00/395208800.db2.gz YBZMNSJULGVTRR-UHFFFAOYSA-N 1 0 287.319 2.066 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000296137959 395308701 /nfs/dbraw/zinc/30/87/01/395308701.db2.gz XAMVVGWPJGQNQO-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000294214214 395269501 /nfs/dbraw/zinc/26/95/01/395269501.db2.gz YKZNZPOUHCQUGN-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212292 395354032 /nfs/dbraw/zinc/35/40/32/395354032.db2.gz ZFQOLGAETSEYFL-CHWSQXEVSA-N 1 0 290.367 2.300 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000411471463 395328940 /nfs/dbraw/zinc/32/89/40/395328940.db2.gz FGMMMGNCVUREFA-GFCCVEGCSA-N 1 0 293.367 2.421 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297413686 395340091 /nfs/dbraw/zinc/34/00/91/395340091.db2.gz RAAOYFFPBQHRNN-MJVIPROJSA-N 1 0 291.351 2.101 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CCCC2)CC1 ZINC000355355195 395418888 /nfs/dbraw/zinc/41/88/88/395418888.db2.gz TXDAKMLBUJYSML-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO CC[N@H+](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000194160265 395426646 /nfs/dbraw/zinc/42/66/46/395426646.db2.gz LBJQWWIFGBLYDF-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2C[C@@H](O)C2)C2CC2)c1 ZINC000420930310 395437756 /nfs/dbraw/zinc/43/77/56/395437756.db2.gz DZGFXYWXOCQDAX-JNSHFYNHSA-N 1 0 276.336 2.330 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291908 395627567 /nfs/dbraw/zinc/62/75/67/395627567.db2.gz JMRFSGICFNIYDS-LITPITGPSA-N 1 0 296.392 2.329 20 5 CEBDRO Cc1c(C[NH2+]Cc2cnc3cnccn23)cccc1[N+](=O)[O-] ZINC000359819665 155142516 /nfs/dbraw/zinc/14/25/16/155142516.db2.gz QXCPHDSHFFXFAE-UHFFFAOYSA-N 1 0 297.318 2.236 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000360068666 155208393 /nfs/dbraw/zinc/20/83/93/155208393.db2.gz ATPAEWJPSRISJW-NSHDSACASA-N 1 0 297.330 2.175 20 5 CEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000188666868 153065071 /nfs/dbraw/zinc/06/50/71/153065071.db2.gz QGLCVVGRQXHONT-UHFFFAOYSA-N 1 0 297.314 2.128 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825568 155381279 /nfs/dbraw/zinc/38/12/79/155381279.db2.gz OUMCGIGDLQCJHQ-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1c[nH+]ccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192711584 153214194 /nfs/dbraw/zinc/21/41/94/153214194.db2.gz QLFVZTWZFZQXRD-GFCCVEGCSA-N 1 0 299.334 2.384 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930010 153372329 /nfs/dbraw/zinc/37/23/29/153372329.db2.gz OGXMTGLHASCVIT-QWRGUYRKSA-N 1 0 279.340 2.159 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230162919 153386130 /nfs/dbraw/zinc/38/61/30/153386130.db2.gz IFRBDJUBTJLNQR-NSHDSACASA-N 1 0 250.298 2.111 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230165926 153386335 /nfs/dbraw/zinc/38/63/35/153386335.db2.gz FEKNHNIYJSOEAJ-LBPRGKRZSA-N 1 0 264.325 2.419 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000262136177 153916365 /nfs/dbraw/zinc/91/63/65/153916365.db2.gz YRGZHHGFZPVTRH-INIZCTEOSA-N 1 0 298.346 2.136 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305029937 154205095 /nfs/dbraw/zinc/20/50/95/154205095.db2.gz HLXCYKLJZVOGAX-BZPMIXESSA-N 1 0 294.351 2.207 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000367163073 156141365 /nfs/dbraw/zinc/14/13/65/156141365.db2.gz AFMRSFPTMVTMCG-RYUDHWBXSA-N 1 0 276.340 2.216 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc([N+](=O)[O-])c1 ZINC000373928764 156914014 /nfs/dbraw/zinc/91/40/14/156914014.db2.gz HKSHOVGTYGOABU-QWRGUYRKSA-N 1 0 295.364 2.013 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1F ZINC000374792871 157016628 /nfs/dbraw/zinc/01/66/28/157016628.db2.gz JUYGTIODNFLFFY-ODOQXGPZSA-N 1 0 294.326 2.327 20 5 CEBDRO Cc1csc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374785868 157017021 /nfs/dbraw/zinc/01/70/21/157017021.db2.gz XMOQCCADXLIQPX-UHFFFAOYSA-N 1 0 292.364 2.220 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000548424406 298409865 /nfs/dbraw/zinc/40/98/65/298409865.db2.gz FDVDMYVGGQABSY-GHMZBOCLSA-N 1 0 250.298 2.456 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168482739 162367684 /nfs/dbraw/zinc/36/76/84/162367684.db2.gz QWWYPBBVKYGGTC-WSHAHDTKSA-N 1 0 284.381 2.403 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000170741386 165040134 /nfs/dbraw/zinc/04/01/34/165040134.db2.gz BCZQWDKSKNKFQS-OAHLLOKOSA-N 1 0 275.352 2.265 20 5 CEBDRO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000181560601 165350441 /nfs/dbraw/zinc/35/04/41/165350441.db2.gz GXMQCXCLIMUFPE-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285283949 196240084 /nfs/dbraw/zinc/24/00/84/196240084.db2.gz ZKNOIGJPFFMGHT-LBPRGKRZSA-N 1 0 294.351 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccn2)cc1 ZINC000035677641 172348679 /nfs/dbraw/zinc/34/86/79/172348679.db2.gz GUDRIFOTRJPOQJ-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735717 172388677 /nfs/dbraw/zinc/38/86/77/172388677.db2.gz YJXXPKQJTUYEIV-GXFFZTMASA-N 1 0 280.324 2.261 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000285565994 196329822 /nfs/dbraw/zinc/32/98/22/196329822.db2.gz HJDAFJZTOOHKAP-NSHDSACASA-N 1 0 282.340 2.460 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH2+]CC1 ZINC000037537664 173257595 /nfs/dbraw/zinc/25/75/95/173257595.db2.gz HIRQJVWXYGZSIA-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO Nc1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000286078057 196490100 /nfs/dbraw/zinc/49/01/00/196490100.db2.gz JNWIDPADVKWJCX-UHFFFAOYSA-N 1 0 278.356 2.465 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604229550 414821755 /nfs/dbraw/zinc/82/17/55/414821755.db2.gz SQZATSQYBYMNGF-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044512921 175188343 /nfs/dbraw/zinc/18/83/43/175188343.db2.gz ZGPOXTPFYMKGEG-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO COc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070178096 175880235 /nfs/dbraw/zinc/88/02/35/175880235.db2.gz ICFGHXXEEHPDQQ-SMDDNHRTSA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300828 176113629 /nfs/dbraw/zinc/11/36/29/176113629.db2.gz QXUZLEXESUQWFP-ZANVPECISA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000073000351 176447948 /nfs/dbraw/zinc/44/79/48/176447948.db2.gz HAFWAHSGAAWIGS-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000078542714 177351731 /nfs/dbraw/zinc/35/17/31/177351731.db2.gz KVBWKCSGLJVTEP-CYBMUJFWSA-N 1 0 267.304 2.486 20 5 CEBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000078747676 177381304 /nfs/dbraw/zinc/38/13/04/177381304.db2.gz RFDJHIVHDFHDCL-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000248538864 287455526 /nfs/dbraw/zinc/45/55/26/287455526.db2.gz APUSMXHREMPBQZ-JYAVWHMHSA-N 1 0 293.367 2.171 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186753 260285594 /nfs/dbraw/zinc/28/55/94/260285594.db2.gz JVNPTHJKVWWTLP-RYUDHWBXSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000311405391 262247489 /nfs/dbraw/zinc/24/74/89/262247489.db2.gz HBHFJYQDQDKBRW-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245659 263207728 /nfs/dbraw/zinc/20/77/28/263207728.db2.gz HPOIAWUUIMIMIF-UHIISALHSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487623 270334208 /nfs/dbraw/zinc/33/42/08/270334208.db2.gz VEAINISZIVDHJV-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397398618 270353626 /nfs/dbraw/zinc/35/36/26/270353626.db2.gz HZHBIZQWRUAUDR-MDZLAQPJSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885807 270364366 /nfs/dbraw/zinc/36/43/66/270364366.db2.gz BXLRHLCMGIGSJQ-DGCLKSJQSA-N 1 0 278.352 2.354 20 5 CEBDRO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399411862 270370032 /nfs/dbraw/zinc/37/00/32/270370032.db2.gz CJQQPUNSEUXCRQ-CABZTGNLSA-N 1 0 265.313 2.153 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425551617 271168524 /nfs/dbraw/zinc/16/85/24/271168524.db2.gz QNFFAVOFDOOUOI-JQWIXIFHSA-N 1 0 287.323 2.263 20 5 CEBDRO C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565460 271391665 /nfs/dbraw/zinc/39/16/65/271391665.db2.gz AHHTYDABITUMBE-DOMZBBRYSA-N 1 0 293.367 2.033 20 5 CEBDRO COc1ccc(CN[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000430595104 271396090 /nfs/dbraw/zinc/39/60/90/271396090.db2.gz HBQIJHJHRWVJPV-CQSZACIVSA-N 1 0 281.356 2.066 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000433151833 271525693 /nfs/dbraw/zinc/52/56/93/271525693.db2.gz PBNGZQLBLBEDDG-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415581067 273686927 /nfs/dbraw/zinc/68/69/27/273686927.db2.gz MYGPKGXKKYGDDQ-LLVKDONJSA-N 1 0 294.355 2.331 20 5 CEBDRO CSCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172715406 274175166 /nfs/dbraw/zinc/17/51/66/274175166.db2.gz SHILSACYSZCLIM-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063193749 274238106 /nfs/dbraw/zinc/23/81/06/274238106.db2.gz OEVDDXXRXSXJRC-MFKMUULPSA-N 1 0 292.339 2.328 20 5 CEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331600138 274303510 /nfs/dbraw/zinc/30/35/10/274303510.db2.gz QBZMYZVCHBWZIM-BXUZGUMPSA-N 1 0 289.335 2.042 20 5 CEBDRO Cc1cc(N2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228444915 274705381 /nfs/dbraw/zinc/70/53/81/274705381.db2.gz ALNXCHCVZJSEFN-GFCCVEGCSA-N 1 0 287.319 2.413 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292344851 274710967 /nfs/dbraw/zinc/71/09/67/274710967.db2.gz BOJQAOUGDDEQFU-LBPRGKRZSA-N 1 0 291.326 2.493 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788445 274712871 /nfs/dbraw/zinc/71/28/71/274712871.db2.gz TUFLFXVXKPABHK-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286394993 274843277 /nfs/dbraw/zinc/84/32/77/274843277.db2.gz PDUNVWWSPOVCCR-WCQYABFASA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192850861 275555421 /nfs/dbraw/zinc/55/54/21/275555421.db2.gz AYQIIQUJRLRUKU-CYBMUJFWSA-N 1 0 264.325 2.333 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000359200074 276032868 /nfs/dbraw/zinc/03/28/68/276032868.db2.gz AEIQGBBFFYBUEB-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298135353 276173843 /nfs/dbraw/zinc/17/38/43/276173843.db2.gz BNZPNGOCMOIYNL-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]CCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000124741912 277267404 /nfs/dbraw/zinc/26/74/04/277267404.db2.gz UFNMKDKFYAPILQ-LLVKDONJSA-N 1 0 251.330 2.197 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267660788 277341182 /nfs/dbraw/zinc/34/11/82/277341182.db2.gz MPURUYYQGGUSKD-MNOVXSKESA-N 1 0 250.298 2.377 20 5 CEBDRO CC(C)c1ccc(CN[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414934373 278037413 /nfs/dbraw/zinc/03/74/13/278037413.db2.gz UNOLWCILRWYUCQ-SNVBAGLBSA-N 1 0 251.330 2.155 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149432979 278313874 /nfs/dbraw/zinc/31/38/74/278313874.db2.gz UTPMHSAJFJZKRM-RKDXNWHRSA-N 1 0 284.747 2.207 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000134079127 280012635 /nfs/dbraw/zinc/01/26/35/280012635.db2.gz VUFZACHNNXAUFE-BXUZGUMPSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063192569 281016598 /nfs/dbraw/zinc/01/65/98/281016598.db2.gz HBNSQSNLCASPHO-RISCZKNCSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000423470368 281050886 /nfs/dbraw/zinc/05/08/86/281050886.db2.gz PGNQLLWYBVOOIR-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513498 281058816 /nfs/dbraw/zinc/05/88/16/281058816.db2.gz LUDWQNVBJAKXSD-GJZGRUSLSA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423604529 281069005 /nfs/dbraw/zinc/06/90/05/281069005.db2.gz GHAZSPBRAWSPQK-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000110509724 281259231 /nfs/dbraw/zinc/25/92/31/281259231.db2.gz LWDNAETVSMLKRH-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000445900183 281706553 /nfs/dbraw/zinc/70/65/53/281706553.db2.gz YUDQUUASFMHGKO-MRVPVSSYSA-N 1 0 294.277 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CCO)CC2)c1 ZINC000447056477 281799765 /nfs/dbraw/zinc/79/97/65/281799765.db2.gz ZRFUAJLNZWPTLB-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000151406399 289057541 /nfs/dbraw/zinc/05/75/41/289057541.db2.gz VHQHHJHTXVULEZ-JOCQHMNTSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000311596156 289279915 /nfs/dbraw/zinc/27/99/15/289279915.db2.gz BLGMNRFELJDJEM-WCQYABFASA-N 1 0 261.325 2.091 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272208084 290160137 /nfs/dbraw/zinc/16/01/37/290160137.db2.gz PTQRIEDSZDAXEA-RISCZKNCSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000459617552 290196093 /nfs/dbraw/zinc/19/60/93/290196093.db2.gz RAWGXSLXNZRMOP-AAEUAGOBSA-N 1 0 266.345 2.350 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000364986292 290234631 /nfs/dbraw/zinc/23/46/31/290234631.db2.gz LCOAZHSTFGENBS-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721854 290267849 /nfs/dbraw/zinc/26/78/49/290267849.db2.gz IYDGQWIBMYISIY-MFKMUULPSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487059879 290330374 /nfs/dbraw/zinc/33/03/74/290330374.db2.gz OSZUUDHWEIGWSO-AWEZNQCLSA-N 1 0 293.367 2.380 20 5 CEBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+]1C ZINC000487101420 290331271 /nfs/dbraw/zinc/33/12/71/290331271.db2.gz PRMNCYQLJUSCQP-LBPRGKRZSA-N 1 0 296.346 2.093 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCO ZINC000487188606 290335804 /nfs/dbraw/zinc/33/58/04/290335804.db2.gz RFNZQGPNGVFWLA-XFXZXTDPSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300115 298102453 /nfs/dbraw/zinc/10/24/53/298102453.db2.gz AQMUABPQRKDMMX-TXEJJXNPSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NC(C)C ZINC000536883177 298206844 /nfs/dbraw/zinc/20/68/44/298206844.db2.gz RNCYOKPAINXMRK-GFCCVEGCSA-N 1 0 293.367 2.469 20 5 CEBDRO COc1cc(C[N@H+](C)CC(C)(C)OC)ccc1[N+](=O)[O-] ZINC000537607072 298214988 /nfs/dbraw/zinc/21/49/88/298214988.db2.gz NOMATGIKVWGXOR-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000542521107 298291687 /nfs/dbraw/zinc/29/16/87/298291687.db2.gz KCHDOKVHPOZPIM-GFCCVEGCSA-N 1 0 293.323 2.497 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184310 298328882 /nfs/dbraw/zinc/32/88/82/298328882.db2.gz NXJPXLYINNWCGQ-SWLSCSKDSA-N 1 0 294.351 2.359 20 5 CEBDRO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc[nH+]1 ZINC000548481362 298414032 /nfs/dbraw/zinc/41/40/32/298414032.db2.gz RHSCREKKGXZCHJ-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000565048025 298873229 /nfs/dbraw/zinc/87/32/29/298873229.db2.gz KCVUNTDHOHWPQY-DOMZBBRYSA-N 1 0 296.367 2.360 20 5 CEBDRO [NH3+]CC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(F)F ZINC000414991444 303388994 /nfs/dbraw/zinc/38/89/94/303388994.db2.gz PQHYYPHQWGAKLY-MZBZXASESA-N 1 0 285.294 2.180 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000515652756 313075565 /nfs/dbraw/zinc/07/55/65/313075565.db2.gz QGMFOJFVNDSHIA-RKDXNWHRSA-N 1 0 297.380 2.172 20 5 CEBDRO C[NH+](C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000522008551 313139419 /nfs/dbraw/zinc/13/94/19/313139419.db2.gz TZSPLDFYUCQKOX-NSHDSACASA-N 1 0 291.273 2.349 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000524771240 313142784 /nfs/dbraw/zinc/14/27/84/313142784.db2.gz HSBWAPZZLCPXDG-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO CCC(CC)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000530628215 313301176 /nfs/dbraw/zinc/30/11/76/313301176.db2.gz RYWLEUOZJRMFBA-UHFFFAOYSA-N 1 0 266.345 2.444 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078722 313657802 /nfs/dbraw/zinc/65/78/02/313657802.db2.gz YEGASPRJQSZJFY-ZWKOPEQDSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000567462613 313894785 /nfs/dbraw/zinc/89/47/85/313894785.db2.gz WZTIWGXZVPQQGU-JTQLQIEISA-N 1 0 281.381 2.027 20 5 CEBDRO C[C@@H](O)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000573083858 314139226 /nfs/dbraw/zinc/13/92/26/314139226.db2.gz FYSPAGANUDBMQY-NWDGAFQWSA-N 1 0 266.341 2.276 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000574219058 314198927 /nfs/dbraw/zinc/19/89/27/314198927.db2.gz INFOXVDVHJFHEU-SMDDNHRTSA-N 1 0 298.346 2.452 20 5 CEBDRO COc1cc(OCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000576156953 314248199 /nfs/dbraw/zinc/24/81/99/314248199.db2.gz SVNRJVLKSFOALO-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)C ZINC000576515759 314283517 /nfs/dbraw/zinc/28/35/17/314283517.db2.gz TURVSKRUUGLIAK-UHFFFAOYSA-N 1 0 295.339 2.272 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)C(C)C ZINC000183478972 321718126 /nfs/dbraw/zinc/71/81/26/321718126.db2.gz ZJVDMWPZTIFGEV-CQSZACIVSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1c(CN2CC[NH2+][C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000379440129 321825503 /nfs/dbraw/zinc/82/55/03/321825503.db2.gz QWKRWIWZUOKTHI-NEPJUHHUSA-N 1 0 263.341 2.085 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]12 ZINC000582291557 322460958 /nfs/dbraw/zinc/46/09/58/322460958.db2.gz ITWUPDWNUUUIOA-DDTOSNHZSA-N 1 0 298.346 2.317 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@H](C)[NH3+] ZINC000415292002 534321646 /nfs/dbraw/zinc/32/16/46/534321646.db2.gz GZIUHXDTZVLPJM-VIFPVBQESA-N 1 0 280.328 2.070 20 5 CEBDRO CC(C)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000157599086 519652588 /nfs/dbraw/zinc/65/25/88/519652588.db2.gz YLSGQEGQZLDPHR-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO C[N@H+](CCCCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000278804404 522730824 /nfs/dbraw/zinc/73/08/24/522730824.db2.gz GBOUSNBIRVHRLL-UHFFFAOYSA-N 1 0 293.323 2.330 20 5 CEBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000055901342 523276767 /nfs/dbraw/zinc/27/67/67/523276767.db2.gz GCRLJQVVRKBHAO-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc(CN[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049554069 524590080 /nfs/dbraw/zinc/59/00/80/524590080.db2.gz AANPMYFCEJYVMK-LBPRGKRZSA-N 1 0 265.357 2.333 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCOCC1 ZINC000156205505 525457683 /nfs/dbraw/zinc/45/76/83/525457683.db2.gz UGMFEFDNYIGRCF-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000052812389 525576161 /nfs/dbraw/zinc/57/61/61/525576161.db2.gz VOLYUCBUMNXCLK-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418141682 534887199 /nfs/dbraw/zinc/88/71/99/534887199.db2.gz XEAMOXSOPVAXMM-LLVKDONJSA-N 1 0 285.294 2.024 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174247359 526330854 /nfs/dbraw/zinc/33/08/54/526330854.db2.gz PEYMDDZTBJJIMU-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCCF)C2)c1 ZINC000367513191 527417267 /nfs/dbraw/zinc/41/72/67/527417267.db2.gz JREBVMJNVYGYRM-NSHDSACASA-N 1 0 270.308 2.178 20 5 CEBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880669 529233175 /nfs/dbraw/zinc/23/31/75/529233175.db2.gz JZDGHWLGZLJDTG-YPMHNXCESA-N 1 0 298.412 2.397 20 5 CEBDRO CC[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])C(C)C ZINC000726594901 574427886 /nfs/dbraw/zinc/42/78/86/574427886.db2.gz HYIYPGKFWANMAC-UHFFFAOYSA-N 1 0 291.355 2.385 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000742834176 575035293 /nfs/dbraw/zinc/03/52/93/575035293.db2.gz MKXMIZMMJQTVRX-CQSZACIVSA-N 1 0 293.367 2.219 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCCC1 ZINC000891774671 623958298 /nfs/dbraw/zinc/95/82/98/623958298.db2.gz FZVWHBQDIPLGPB-UHFFFAOYSA-N 1 0 294.355 2.285 20 5 CEBDRO C[NH2+]CCCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000843191090 624030557 /nfs/dbraw/zinc/03/05/57/624030557.db2.gz CGRRKPFXAQWVSM-UHFFFAOYSA-N 1 0 290.323 2.029 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000934124414 624245564 /nfs/dbraw/zinc/24/55/64/624245564.db2.gz HWDSHUKQGIJOIH-KBPBESRZSA-N 1 0 264.325 2.247 20 5 CEBDRO Cc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000158639702 624580928 /nfs/dbraw/zinc/58/09/28/624580928.db2.gz UKEPUOUPLBWIKN-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC1(C)C[C@H](NCC2([NH3+])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000902407796 634621617 /nfs/dbraw/zinc/62/16/17/634621617.db2.gz VALFUGVXFSYFOY-ZDUSSCGKSA-N 1 0 275.352 2.398 20 5 CEBDRO C[C@H](CCNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC000893148907 628036899 /nfs/dbraw/zinc/03/68/99/628036899.db2.gz CUUNVIYAISBHBN-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO CC(C)[C@](C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(N)=O ZINC000312311358 628226788 /nfs/dbraw/zinc/22/67/88/628226788.db2.gz ZSLLZXWJHYWZSX-ZDUSSCGKSA-N 1 0 299.758 2.238 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313467758 628602585 /nfs/dbraw/zinc/60/25/85/628602585.db2.gz DVFUXNVARVAEPM-GXFFZTMASA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000094340425 628822951 /nfs/dbraw/zinc/82/29/51/628822951.db2.gz HBRZAYHBEGJALY-PRHODGIISA-N 1 0 297.742 2.058 20 5 CEBDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925788214 628828351 /nfs/dbraw/zinc/82/83/51/628828351.db2.gz ZCPHSHRSLOACAZ-DDTOSNHZSA-N 1 0 263.341 2.243 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000893941584 629056281 /nfs/dbraw/zinc/05/62/81/629056281.db2.gz UZPQLUIHDODVNU-UFBFGSQYSA-N 1 0 283.278 2.013 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402154 634711647 /nfs/dbraw/zinc/71/16/47/634711647.db2.gz NJWLHGKQPPGQGT-JQWIXIFHSA-N 1 0 278.308 2.259 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCCCC[N@H+](C)C1CC1 ZINC000894140173 629164018 /nfs/dbraw/zinc/16/40/18/629164018.db2.gz ABDNWOXTOWLCEG-UHFFFAOYSA-N 1 0 294.355 2.285 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000791052534 629240173 /nfs/dbraw/zinc/24/01/73/629240173.db2.gz OXPTTYFZZICWAS-ZDUSSCGKSA-N 1 0 252.289 2.109 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924954237 629291034 /nfs/dbraw/zinc/29/10/34/629291034.db2.gz IEBWVQCMXYIUDK-GHMZBOCLSA-N 1 0 294.351 2.364 20 5 CEBDRO [NH3+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261978044 629408549 /nfs/dbraw/zinc/40/85/49/629408549.db2.gz QZTLMVNGCVDAPG-SNVBAGLBSA-N 1 0 269.732 2.171 20 5 CEBDRO Cc1ccnc(N)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000894542204 629521996 /nfs/dbraw/zinc/52/19/96/629521996.db2.gz HNCZXWNEBFDRCK-UHFFFAOYSA-N 1 0 286.335 2.479 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000795749281 629664883 /nfs/dbraw/zinc/66/48/83/629664883.db2.gz GIJFFDNAAUBKGR-JTQLQIEISA-N 1 0 292.339 2.177 20 5 CEBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793534362 629900829 /nfs/dbraw/zinc/90/08/29/629900829.db2.gz PDMLWPINILKRNE-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247119 630060420 /nfs/dbraw/zinc/06/04/20/630060420.db2.gz SXTNWBLUOXWZPY-PWSUYJOCSA-N 1 0 298.412 2.011 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000895328982 630113997 /nfs/dbraw/zinc/11/39/97/630113997.db2.gz ILWVZINQMFAZHS-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1nn(CN2CC(C)=C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000797419273 630231435 /nfs/dbraw/zinc/23/14/35/630231435.db2.gz IHHJRLHUEMTWOD-SECBINFHSA-N 1 0 264.329 2.264 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000895736478 630326247 /nfs/dbraw/zinc/32/62/47/630326247.db2.gz JDEUGPLNJCCHGL-BDAKNGLRSA-N 1 0 255.343 2.469 20 5 CEBDRO CCO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000896112681 630466998 /nfs/dbraw/zinc/46/69/98/630466998.db2.gz NNDZHEMIEZZHFX-NSHDSACASA-N 1 0 299.346 2.421 20 5 CEBDRO CCO[C@@H](CNc1cccc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000896113528 630467864 /nfs/dbraw/zinc/46/78/64/630467864.db2.gz QENFJYXIHUXITE-LBPRGKRZSA-N 1 0 281.356 2.282 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737321 630653446 /nfs/dbraw/zinc/65/34/46/630653446.db2.gz QYGPNAKVWNTXPM-GZMMTYOYSA-N 1 0 270.716 2.373 20 5 CEBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000798406316 630865677 /nfs/dbraw/zinc/86/56/77/630865677.db2.gz PLHLJNJWTOBELR-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000925155359 631123873 /nfs/dbraw/zinc/12/38/73/631123873.db2.gz VJQFKYDICXCJFR-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@@H](C[NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461742 631532160 /nfs/dbraw/zinc/53/21/60/631532160.db2.gz WURPFAFGHQCJPQ-TUAOUCFPSA-N 1 0 264.325 2.465 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010575 631683154 /nfs/dbraw/zinc/68/31/54/631683154.db2.gz GFDPJHXTERCJHG-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO CC[N@H+](CCC(=O)NC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000897709099 631880597 /nfs/dbraw/zinc/88/05/97/631880597.db2.gz IFPZQIPYMXBBAZ-UHFFFAOYSA-N 1 0 293.367 2.170 20 5 CEBDRO CC1(C)CC[N@H+](CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000898035351 632030723 /nfs/dbraw/zinc/03/07/23/632030723.db2.gz QKNRIPCLTGGHKI-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](O)[C@H](F)C1 ZINC000898183874 632098591 /nfs/dbraw/zinc/09/85/91/632098591.db2.gz OYAPOAGVTBPWJJ-OCCSQVGLSA-N 1 0 282.315 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898183875 632099177 /nfs/dbraw/zinc/09/91/77/632099177.db2.gz OYAPOAGVTBPWJJ-TZMCWYRMSA-N 1 0 282.315 2.116 20 5 CEBDRO [NH3+]CCN(C[C@@H]1CCC=CO1)c1ccc([N+](=O)[O-])cc1 ZINC000809735197 632134593 /nfs/dbraw/zinc/13/45/93/632134593.db2.gz UUFVJNFASFTDOU-AWEZNQCLSA-N 1 0 277.324 2.053 20 5 CEBDRO C[C@@H](CC[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841052404 632353916 /nfs/dbraw/zinc/35/39/16/632353916.db2.gz VCYPMUGSYHNPMJ-QMMMGPOBSA-N 1 0 257.721 2.075 20 5 CEBDRO CCO[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961390 632388855 /nfs/dbraw/zinc/38/88/55/632388855.db2.gz IWKIELDFSNXLKN-WFASDCNBSA-N 1 0 295.383 2.212 20 5 CEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000898481836 632509327 /nfs/dbraw/zinc/50/93/27/632509327.db2.gz QZHAFOPSYZQCGM-YPMHNXCESA-N 1 0 292.335 2.416 20 5 CEBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618051 633039036 /nfs/dbraw/zinc/03/90/36/633039036.db2.gz CMPGYYPZFSQODR-UWVGGRQHSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625712 633040122 /nfs/dbraw/zinc/04/01/22/633040122.db2.gz KPOJPFFQSAULND-HKPALBBZSA-N 1 0 271.267 2.481 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCc1cccc(Br)c1 ZINC000899878001 633068065 /nfs/dbraw/zinc/06/80/65/633068065.db2.gz NJDUUVVLSHKJNH-UHFFFAOYSA-N 1 0 287.157 2.248 20 5 CEBDRO COc1ccccc1C1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000899872383 633069709 /nfs/dbraw/zinc/06/97/09/633069709.db2.gz AEUAMXGUKCRALN-UHFFFAOYSA-N 1 0 278.352 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000819130638 634077022 /nfs/dbraw/zinc/07/70/22/634077022.db2.gz DBVWCVUOFSOLAJ-WCQYABFASA-N 1 0 282.365 2.113 20 5 CEBDRO CCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819137453 634080031 /nfs/dbraw/zinc/08/00/31/634080031.db2.gz AHTWJHCMWNLZPB-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO CC(C)(CO)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819163401 634089687 /nfs/dbraw/zinc/08/96/87/634089687.db2.gz JQTJHIQWDRLFET-AWEZNQCLSA-N 1 0 296.367 2.017 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000819218396 634106704 /nfs/dbraw/zinc/10/67/04/634106704.db2.gz ONMAORSLEURJKD-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO COCCC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819227500 634110125 /nfs/dbraw/zinc/11/01/25/634110125.db2.gz OSEDLBXRQFWWLF-CQSZACIVSA-N 1 0 296.367 2.281 20 5 CEBDRO CCOCC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819316402 634137722 /nfs/dbraw/zinc/13/77/22/634137722.db2.gz QJAYUXHIPKBOEA-CQSZACIVSA-N 1 0 296.367 2.281 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000819353645 634150840 /nfs/dbraw/zinc/15/08/40/634150840.db2.gz GLXQTPVLCXFAJP-IUODEOHRSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000819371624 634160889 /nfs/dbraw/zinc/16/08/89/634160889.db2.gz MIWOWUUUYVCPOT-OICBVUGWSA-N 1 0 294.351 2.031 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000819377086 634162286 /nfs/dbraw/zinc/16/22/86/634162286.db2.gz LHDKCJIXNJPDJX-MCIONIFRSA-N 1 0 288.303 2.367 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000822509697 634934106 /nfs/dbraw/zinc/93/41/06/634934106.db2.gz MEVRNSXWTAJSJQ-QWHCGFSZSA-N 1 0 299.415 2.201 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCn2ccnc2)cc([N+](=O)[O-])c1 ZINC000903057077 634949330 /nfs/dbraw/zinc/94/93/30/634949330.db2.gz BCAAFESQDCVPJV-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903076312 634957927 /nfs/dbraw/zinc/95/79/27/634957927.db2.gz NDUUUXOMBTYJLD-GHMZBOCLSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000903078050 634959024 /nfs/dbraw/zinc/95/90/24/634959024.db2.gz BYNFIHCRFZZGFN-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903098565 634967948 /nfs/dbraw/zinc/96/79/48/634967948.db2.gz QLTWDYVRVCJHGI-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903109650 634973181 /nfs/dbraw/zinc/97/31/81/634973181.db2.gz HCIBTZBRIDUSDA-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1ccc(-c2noc(CC[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722089 634980452 /nfs/dbraw/zinc/98/04/52/634980452.db2.gz BAJFQDHYANWSGO-VIFPVBQESA-N 1 0 276.296 2.233 20 5 CEBDRO Cc1ccc(-c2noc([C@H](C)[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722704 634980931 /nfs/dbraw/zinc/98/09/31/634980931.db2.gz JWEOYMCVQJCADJ-BDAKNGLRSA-N 1 0 276.296 2.404 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000903130742 634984701 /nfs/dbraw/zinc/98/47/01/634984701.db2.gz OJPLBXRSCATDDX-KBPBESRZSA-N 1 0 264.325 2.294 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822854517 635012840 /nfs/dbraw/zinc/01/28/40/635012840.db2.gz OIGWHPXXEOXXSH-ZDUSSCGKSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1cc(Cc2noc([C@@H](C)[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863713 635014781 /nfs/dbraw/zinc/01/47/81/635014781.db2.gz SKOGPRSHBWWXDX-UWVGGRQHSA-N 1 0 290.323 2.328 20 5 CEBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000903300436 635046924 /nfs/dbraw/zinc/04/69/24/635046924.db2.gz HXULAUJFWZTABW-LERXQTSPSA-N 1 0 275.352 2.264 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903286929 635051638 /nfs/dbraw/zinc/05/16/38/635051638.db2.gz JPKQSESOGLSPPT-HOSYDEDBSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903393745 635089886 /nfs/dbraw/zinc/08/98/86/635089886.db2.gz SHXNWTBBOSLFSH-WQAKAFBOSA-N 1 0 262.309 2.207 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000903796477 635274598 /nfs/dbraw/zinc/27/45/98/635274598.db2.gz WBUGRXFNRLOROV-HIFRSBDPSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000903798448 635275643 /nfs/dbraw/zinc/27/56/43/635275643.db2.gz NNIJUOVSFXSMPF-DGCLKSJQSA-N 1 0 281.381 2.360 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903859446 635310493 /nfs/dbraw/zinc/31/04/93/635310493.db2.gz NKKMPAFFKNQZBD-ZFWWWQNUSA-N 1 0 275.352 2.216 20 5 CEBDRO CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000903984448 635403257 /nfs/dbraw/zinc/40/32/57/635403257.db2.gz AUOOVLGMXDICBQ-BRLPQQTGSA-N 1 0 275.352 2.277 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987801 635407036 /nfs/dbraw/zinc/40/70/36/635407036.db2.gz JVIAKEJRVJLKAA-DMDPSCGWSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000824384181 635417537 /nfs/dbraw/zinc/41/75/37/635417537.db2.gz ZCXQLGSOLQMZHY-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000824432319 635425709 /nfs/dbraw/zinc/42/57/09/635425709.db2.gz QWUSXHSXEDBTFY-NSHDSACASA-N 1 0 293.367 2.282 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000904080164 635441921 /nfs/dbraw/zinc/44/19/21/635441921.db2.gz XWIBTAWQHBFMMO-NSHDSACASA-N 1 0 288.307 2.358 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000905031443 635794561 /nfs/dbraw/zinc/79/45/61/635794561.db2.gz QYAWWEGOYMNHTE-UHFFFAOYSA-N 1 0 292.257 2.132 20 5 CEBDRO CC[C@H](CSc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905178769 635851384 /nfs/dbraw/zinc/85/13/84/635851384.db2.gz DIHGZEQUSOOAKF-LLVKDONJSA-N 1 0 254.355 2.424 20 5 CEBDRO CCSc1ccccc1CC[NH2+]CC[N+](=O)[O-] ZINC000905565250 636328504 /nfs/dbraw/zinc/32/85/04/636328504.db2.gz QZBOINKPTZAIEX-UHFFFAOYSA-N 1 0 254.355 2.207 20 5 CEBDRO C[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905644499 636379389 /nfs/dbraw/zinc/37/93/89/636379389.db2.gz RECSWQDPPVOOLN-VIFPVBQESA-N 1 0 287.157 2.419 20 5 CEBDRO C[C@@H](C[NH2+]C[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905645456 636380249 /nfs/dbraw/zinc/38/02/49/636380249.db2.gz YMKIOFGCTCESDF-HZMBPMFUSA-N 1 0 264.325 2.059 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644914 636380453 /nfs/dbraw/zinc/38/04/53/636380453.db2.gz UHSDTYZTCSVYDK-CHWSQXEVSA-N 1 0 296.367 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)cn1 ZINC000906170224 636633279 /nfs/dbraw/zinc/63/32/79/636633279.db2.gz ABWZFJHLUARYOV-CYBMUJFWSA-N 1 0 270.292 2.476 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149231903 636843466 /nfs/dbraw/zinc/84/34/66/636843466.db2.gz IWEHBTVHSUJABP-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000876530683 650306880 /nfs/dbraw/zinc/30/68/80/650306880.db2.gz PODVFUYBNXZQSY-QWRGUYRKSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000876532235 650307794 /nfs/dbraw/zinc/30/77/94/650307794.db2.gz CHOLCMAHYRWXBK-PWSUYJOCSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876545830 650316489 /nfs/dbraw/zinc/31/64/89/650316489.db2.gz VKIZIQRWWZUGBZ-PWSUYJOCSA-N 1 0 277.324 2.215 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1F ZINC000832787386 637671090 /nfs/dbraw/zinc/67/10/90/637671090.db2.gz WYYJBGOWICCVPR-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO Cn1cc(C[NH+]2CCC3(CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000876690322 650401780 /nfs/dbraw/zinc/40/17/80/650401780.db2.gz UXOUPLAYZKWFRO-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO Cc1c(NC(=O)C2=CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000911956047 638495504 /nfs/dbraw/zinc/49/55/04/638495504.db2.gz JMDALGWEAZJPBK-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO CNC(=O)CCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876774327 650427127 /nfs/dbraw/zinc/42/71/27/650427127.db2.gz RRMPFDPZRKPOIW-UHFFFAOYSA-N 1 0 293.367 2.170 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000228082616 639613998 /nfs/dbraw/zinc/61/39/98/639613998.db2.gz VOYNEQAAHSPRAK-IUCAKERBSA-N 1 0 272.732 2.497 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228372549 639632622 /nfs/dbraw/zinc/63/26/22/639632622.db2.gz HGQMNHCTRMFXLW-ZWNOBZJWSA-N 1 0 284.381 2.105 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841058433 639635731 /nfs/dbraw/zinc/63/57/31/639635731.db2.gz HAFKWYFGHBAPDT-NOZJJQNGSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064485 639639259 /nfs/dbraw/zinc/63/92/59/639639259.db2.gz RDCOXVGXLSPNDU-CABZTGNLSA-N 1 0 283.759 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000228559774 639644365 /nfs/dbraw/zinc/64/43/65/639644365.db2.gz IKUINBVFHCAFHD-JTQLQIEISA-N 1 0 274.280 2.112 20 5 CEBDRO Cc1cnccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228668335 639651770 /nfs/dbraw/zinc/65/17/70/639651770.db2.gz KCJWTBBISUIBPK-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104242 639670265 /nfs/dbraw/zinc/67/02/65/639670265.db2.gz VWEGTJXZRNDDDW-RQJHMYQMSA-N 1 0 286.719 2.105 20 5 CEBDRO Cn1nccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000231033246 639822649 /nfs/dbraw/zinc/82/26/49/639822649.db2.gz YJQOQEPFABODDS-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000231884715 639881921 /nfs/dbraw/zinc/88/19/21/639881921.db2.gz DRMPATRZIHFSCI-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000929457196 639946005 /nfs/dbraw/zinc/94/60/05/639946005.db2.gz DFGGGPPFHZYJMA-UHFFFAOYSA-N 1 0 266.316 2.357 20 5 CEBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC[N+](=O)[O-])C1 ZINC000929724272 640034819 /nfs/dbraw/zinc/03/48/19/640034819.db2.gz YWVCQKQGNBTWCG-MFKMUULPSA-N 1 0 252.289 2.485 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877046643 650546221 /nfs/dbraw/zinc/54/62/21/650546221.db2.gz NWDWIZZAMHUPIO-PWSUYJOCSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000877060222 650553422 /nfs/dbraw/zinc/55/34/22/650553422.db2.gz VOKATNNIRQIDGJ-CQSZACIVSA-N 1 0 290.319 2.362 20 5 CEBDRO Cc1ccc(N2CCN(CC[N+](=O)[O-])[C@@H](C)C2)cc1C ZINC000929778434 640182524 /nfs/dbraw/zinc/18/25/24/640182524.db2.gz JBPCOHDLZPDIMX-AWEZNQCLSA-N 1 0 277.368 2.091 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843100525 640280867 /nfs/dbraw/zinc/28/08/67/640280867.db2.gz WAJPTOSICMMXIG-UXIGCNINSA-N 1 0 296.367 2.015 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000843511643 640447048 /nfs/dbraw/zinc/44/70/48/640447048.db2.gz QDYMFMGSBZEUNW-UHFFFAOYSA-N 1 0 293.367 2.461 20 5 CEBDRO CC(=O)OC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000153468487 640510417 /nfs/dbraw/zinc/51/04/17/640510417.db2.gz FVTGDWKLABYASJ-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[NH+](C)C ZINC000843797589 640527840 /nfs/dbraw/zinc/52/78/40/640527840.db2.gz HJWRLGVVYOWBMK-UHFFFAOYSA-N 1 0 297.330 2.114 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403218 640709445 /nfs/dbraw/zinc/70/94/45/640709445.db2.gz DUJQIRNKVHHNBW-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000844743127 640822834 /nfs/dbraw/zinc/82/28/34/640822834.db2.gz UJJIYUHEOHOERG-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CC(O)C1 ZINC000877344042 650680394 /nfs/dbraw/zinc/68/03/94/650680394.db2.gz CRDAOWWRAYUIKI-UHFFFAOYSA-N 1 0 264.325 2.167 20 5 CEBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000849010057 642226726 /nfs/dbraw/zinc/22/67/26/642226726.db2.gz ZDTDZAYCOPXMEN-UHFFFAOYSA-N 1 0 276.340 2.148 20 5 CEBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000849331854 642334408 /nfs/dbraw/zinc/33/44/08/642334408.db2.gz XVRARFJZBLTXBG-NWDGAFQWSA-N 1 0 286.278 2.263 20 5 CEBDRO C[C@H]([NH2+]CC1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551426 642750704 /nfs/dbraw/zinc/75/07/04/642750704.db2.gz ICZHPXZAHPTBGP-ZBOXLXRLSA-N 1 0 293.367 2.379 20 5 CEBDRO CS[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000921863409 642763280 /nfs/dbraw/zinc/76/32/80/642763280.db2.gz VLFHCYUYXLDILS-CMPLNLGQSA-N 1 0 284.385 2.055 20 5 CEBDRO COC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877554341 650785844 /nfs/dbraw/zinc/78/58/44/650785844.db2.gz ISMIKZODLGMYBN-UHFFFAOYSA-N 1 0 294.355 2.044 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1OCCCO1 ZINC000922281586 642998287 /nfs/dbraw/zinc/99/82/87/642998287.db2.gz VUJUKLXIZTYHSW-WQLSENKSSA-N 1 0 292.335 2.351 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@H]3C3CCC3)C2)c1 ZINC000877597414 650808298 /nfs/dbraw/zinc/80/82/98/650808298.db2.gz KSTCNAGMELDJLG-DZYMPVBWSA-N 1 0 276.340 2.273 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000922685876 643202336 /nfs/dbraw/zinc/20/23/36/643202336.db2.gz BQKMDUUIRBWXJR-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923005683 643506526 /nfs/dbraw/zinc/50/65/26/643506526.db2.gz PRIOWKCRFXOSIG-HAQNSBGRSA-N 1 0 264.325 2.072 20 5 CEBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242761 643720253 /nfs/dbraw/zinc/72/02/53/643720253.db2.gz WSYMAMOZGTZHCH-QWRGUYRKSA-N 1 0 297.380 2.240 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)O ZINC000824921418 643789378 /nfs/dbraw/zinc/78/93/78/643789378.db2.gz LKMMJMWCWKJDAR-KWQFWETISA-N 1 0 272.732 2.497 20 5 CEBDRO CCC[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853905633 643939815 /nfs/dbraw/zinc/93/98/15/643939815.db2.gz BMSSVBNRPOLOCJ-JTQLQIEISA-N 1 0 294.311 2.399 20 5 CEBDRO CC(C)C[C@H](C[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000854160610 644001669 /nfs/dbraw/zinc/00/16/69/644001669.db2.gz PYRHADKYXFFUAB-VIFPVBQESA-N 1 0 294.311 2.401 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839198283 644191743 /nfs/dbraw/zinc/19/17/43/644191743.db2.gz KWBVQCXLEGJAJJ-YPMHNXCESA-N 1 0 268.288 2.391 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000788138315 644194861 /nfs/dbraw/zinc/19/48/61/644194861.db2.gz ZOVPWOYCUBKMBM-VXGBXAGGSA-N 1 0 290.319 2.378 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000855415637 644337572 /nfs/dbraw/zinc/33/75/72/644337572.db2.gz LDDHYKOUHDITPU-JTQLQIEISA-N 1 0 297.330 2.112 20 5 CEBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H](C)[NH2+]1 ZINC000858631661 645225692 /nfs/dbraw/zinc/22/56/92/645225692.db2.gz ICWPJLZJGHYXQN-DTORHVGOSA-N 1 0 292.364 2.391 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059222 645686188 /nfs/dbraw/zinc/68/61/88/645686188.db2.gz WYQYNEYKKKXNFB-JOYOIKCWSA-N 1 0 293.348 2.436 20 5 CEBDRO CN1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765768450 645806009 /nfs/dbraw/zinc/80/60/09/645806009.db2.gz PGQXBBWWONXWSD-GJZGRUSLSA-N 1 0 289.379 2.210 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000768101072 646083343 /nfs/dbraw/zinc/08/33/43/646083343.db2.gz HBJYOLJPKUDAAD-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000864462735 647017370 /nfs/dbraw/zinc/01/73/70/647017370.db2.gz OIKXCQWONTVMNH-LDYMZIIASA-N 1 0 296.758 2.313 20 5 CEBDRO CCCCC[N@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582804 647074741 /nfs/dbraw/zinc/07/47/41/647074741.db2.gz VRRYVFDHLQANRR-HNNXBMFYSA-N 1 0 296.367 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865692105 647426306 /nfs/dbraw/zinc/42/63/06/647426306.db2.gz BHKOAIODZQTTJQ-RCZQDCHWSA-N 1 0 274.320 2.108 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000866206027 647669203 /nfs/dbraw/zinc/66/92/03/647669203.db2.gz IIHDJLYOQQJGDW-RISCZKNCSA-N 1 0 261.325 2.125 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265933 647705049 /nfs/dbraw/zinc/70/50/49/647705049.db2.gz VODFKSFZSVXYCK-ZWNOBZJWSA-N 1 0 284.331 2.416 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000783579735 647731592 /nfs/dbraw/zinc/73/15/92/647731592.db2.gz IADGKCPHRWWYFI-GXFFZTMASA-N 1 0 284.743 2.451 20 5 CEBDRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783620740 647739337 /nfs/dbraw/zinc/73/93/37/647739337.db2.gz OHAXEXVRJJKMGP-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1Cl ZINC000783635473 647741709 /nfs/dbraw/zinc/74/17/09/647741709.db2.gz VMQBQLDMUSGSMH-NSHDSACASA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000866399165 647773991 /nfs/dbraw/zinc/77/39/91/647773991.db2.gz TWPMOJMBPOAOJC-OUJBWJOFSA-N 1 0 282.315 2.025 20 5 CEBDRO Cc1ccc(CN[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000866661662 647858997 /nfs/dbraw/zinc/85/89/97/647858997.db2.gz RVTYPTMBGMSYMW-CQSZACIVSA-N 1 0 265.357 2.366 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000784535049 647859742 /nfs/dbraw/zinc/85/97/42/647859742.db2.gz OHMMATFCWQLPKH-QWRGUYRKSA-N 1 0 289.339 2.137 20 5 CEBDRO CCC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867950413 647999488 /nfs/dbraw/zinc/99/94/88/647999488.db2.gz VCKZYCPRQUILIP-HZMBPMFUSA-N 1 0 279.340 2.074 20 5 CEBDRO CCC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867950416 647999893 /nfs/dbraw/zinc/99/98/93/647999893.db2.gz VCKZYCPRQUILIP-YGRLFVJLSA-N 1 0 279.340 2.074 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788615155 648207564 /nfs/dbraw/zinc/20/75/64/648207564.db2.gz VLCWZZMTVARJLS-GWCFXTLKSA-N 1 0 281.356 2.499 20 5 CEBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788661596 648212025 /nfs/dbraw/zinc/21/20/25/648212025.db2.gz BGNHYZLMSWUEQG-ZYHUDNBSSA-N 1 0 281.356 2.379 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000789981815 648365513 /nfs/dbraw/zinc/36/55/13/648365513.db2.gz DPFVCMBDQNMTOL-UHFFFAOYSA-N 1 0 278.308 2.238 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872035039 649248499 /nfs/dbraw/zinc/24/84/99/649248499.db2.gz KAMBPYPIZIOJPR-QMMMGPOBSA-N 1 0 256.277 2.155 20 5 CEBDRO COC[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059229 649257334 /nfs/dbraw/zinc/25/73/34/649257334.db2.gz BPOAWGCZMTYZHO-ZJUUUORDSA-N 1 0 286.303 2.046 20 5 CEBDRO CON1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078965 649266227 /nfs/dbraw/zinc/26/62/27/649266227.db2.gz FIPNVZUUYLMAEU-JTQLQIEISA-N 1 0 297.330 2.410 20 5 CEBDRO CON(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083904 649268439 /nfs/dbraw/zinc/26/84/39/649268439.db2.gz DWPZICQSRWOBMR-JTQLQIEISA-N 1 0 299.396 2.461 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781764 649488946 /nfs/dbraw/zinc/48/89/46/649488946.db2.gz YLPALYGCRVVTNM-NWDGAFQWSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1ccnc1 ZINC000873009183 649530435 /nfs/dbraw/zinc/53/04/35/649530435.db2.gz YGUDCGHCFWSRLL-UHFFFAOYSA-N 1 0 274.324 2.198 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N(C)C ZINC000873043737 649541816 /nfs/dbraw/zinc/54/18/16/649541816.db2.gz RZCGVNOYONAVBY-LLVKDONJSA-N 1 0 265.357 2.251 20 5 CEBDRO Cc1noc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873046856 649542314 /nfs/dbraw/zinc/54/23/14/649542314.db2.gz UBRLVKWNXUPEKY-UHFFFAOYSA-N 1 0 290.323 2.317 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873051813 649543915 /nfs/dbraw/zinc/54/39/15/649543915.db2.gz HNFRWZZDUXNOPO-OAHLLOKOSA-N 1 0 296.367 2.089 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151526 649571398 /nfs/dbraw/zinc/57/13/98/649571398.db2.gz XPFNCALTFFAGOA-KCJUWKMLSA-N 1 0 292.257 2.305 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000879064707 651237515 /nfs/dbraw/zinc/23/75/15/651237515.db2.gz MTNRKCXWIIOVFN-NWANDNLSSA-N 1 0 276.336 2.248 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624188 651331942 /nfs/dbraw/zinc/33/19/42/651331942.db2.gz OIGROWFBCOMUEV-CYBMUJFWSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000880143996 651392255 /nfs/dbraw/zinc/39/22/55/651392255.db2.gz UUVUGZQCWXTLFI-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000880298262 651418984 /nfs/dbraw/zinc/41/89/84/651418984.db2.gz WPFUREPJVXUKCD-LLVKDONJSA-N 1 0 295.314 2.215 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CC[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000128392252 651433630 /nfs/dbraw/zinc/43/36/30/651433630.db2.gz MCLCMSZRKKGGAY-DGIBIBHMSA-N 1 0 284.381 2.150 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000881815078 651891556 /nfs/dbraw/zinc/89/15/56/651891556.db2.gz AEQXNLONXXHZNJ-ZJUUUORDSA-N 1 0 280.303 2.168 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882057133 651948412 /nfs/dbraw/zinc/94/84/12/651948412.db2.gz OPKIOTCCPUHKJL-UWVGGRQHSA-N 1 0 282.319 2.414 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882530729 652123251 /nfs/dbraw/zinc/12/32/51/652123251.db2.gz SRKWZMZSJQKYAJ-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883268876 652419252 /nfs/dbraw/zinc/41/92/52/652419252.db2.gz UYOHRXJKNQSYAS-ZDUSSCGKSA-N 1 0 290.319 2.129 20 5 CEBDRO [NH3+]Cc1cnn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])c1 ZINC001168257325 806447738 /nfs/dbraw/zinc/44/77/38/806447738.db2.gz SFKXXFLNJRGLRZ-UHFFFAOYSA-N 1 0 295.302 2.301 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160405493 806869544 /nfs/dbraw/zinc/86/95/44/806869544.db2.gz YXAYGYWCMPNCCN-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001167275224 802622144 /nfs/dbraw/zinc/62/21/44/802622144.db2.gz JOOUOXDWDSGBJL-JTQLQIEISA-N 1 0 260.297 2.192 20 5 CEBDRO Cc1cnc(-n2ccc3cc(C[NH3+])cnc32)cc1[N+](=O)[O-] ZINC001167313276 802675401 /nfs/dbraw/zinc/67/54/01/802675401.db2.gz INJJUVGDKIADFF-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CCCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001266626955 802794031 /nfs/dbraw/zinc/79/40/31/802794031.db2.gz DMYAPDNSTYWCSK-UHFFFAOYSA-N 1 0 285.369 2.004 20 5 CEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC001117747584 814942231 /nfs/dbraw/zinc/94/22/31/814942231.db2.gz QBXQMXULNZRTQJ-NWDGAFQWSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[NH2+]C1 ZINC001218284238 803576123 /nfs/dbraw/zinc/57/61/23/803576123.db2.gz OIUKZVSBHVVDEC-LBPRGKRZSA-N 1 0 250.298 2.342 20 5 CEBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218380297 803592255 /nfs/dbraw/zinc/59/22/55/803592255.db2.gz AAKDLGOALMXYHW-LDWIPMOCSA-N 1 0 276.214 2.353 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CC=CC1 ZINC001117799107 814953023 /nfs/dbraw/zinc/95/30/23/814953023.db2.gz OYBBYMVOZSQLIW-UHFFFAOYSA-N 1 0 284.319 2.427 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1C[NH+](C)C1 ZINC000692652636 803748569 /nfs/dbraw/zinc/74/85/69/803748569.db2.gz GEIHUGOSGWGKDU-UHFFFAOYSA-N 1 0 283.759 2.242 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CCC[NH2+]C3)c2)c1 ZINC001118134880 814988158 /nfs/dbraw/zinc/98/81/58/814988158.db2.gz HJXPMIGDLTVQLK-GFCCVEGCSA-N 1 0 286.335 2.458 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000716022976 815014928 /nfs/dbraw/zinc/01/49/28/815014928.db2.gz VDAHUUXBXPBLCK-LBPRGKRZSA-N 1 0 294.351 2.474 20 5 CEBDRO Cc1cc(Cl)c(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167884078 804566017 /nfs/dbraw/zinc/56/60/17/804566017.db2.gz PGLQJJWTPKNIDZ-UHFFFAOYSA-N 1 0 299.762 2.232 20 5 CEBDRO C[C@@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000261642380 804609000 /nfs/dbraw/zinc/60/90/00/804609000.db2.gz AJYSVFAFCHRUAR-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC(=N)SCC[NH3+] ZINC001167916899 804754830 /nfs/dbraw/zinc/75/48/30/804754830.db2.gz ZUTFCTYHSNVDDD-UHFFFAOYSA-N 1 0 272.305 2.081 20 5 CEBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001225613807 805027601 /nfs/dbraw/zinc/02/76/01/805027601.db2.gz UVWRWIVWYZEXTI-LLVKDONJSA-N 1 0 266.297 2.076 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCCO2 ZINC001233588429 807426917 /nfs/dbraw/zinc/42/69/17/807426917.db2.gz NJWBEJLTCMOPEK-LBPRGKRZSA-N 1 0 250.362 2.485 20 5 CEBDRO COC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1F ZINC001234402956 807653766 /nfs/dbraw/zinc/65/37/66/807653766.db2.gz OUVKYIAYPHMCAV-VIFPVBQESA-N 1 0 288.314 2.225 20 5 CEBDRO CC(=O)n1ncc2cc(O[C@@H](C)C[N+](C)(C)C)ccc21 ZINC001234871038 807726993 /nfs/dbraw/zinc/72/69/93/807726993.db2.gz FMSGUVULMDDGRM-NSHDSACASA-N 1 0 276.360 2.170 20 5 CEBDRO C[C@@H](C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001119855014 815164651 /nfs/dbraw/zinc/16/46/51/815164651.db2.gz KZSMYVXXGGDGTP-JTQLQIEISA-N 1 0 264.329 2.227 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000094659361 808743407 /nfs/dbraw/zinc/74/34/07/808743407.db2.gz FHJCNEASLGSMST-CYBMUJFWSA-N 1 0 261.325 2.409 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCO2 ZINC000028078600 809207967 /nfs/dbraw/zinc/20/79/67/809207967.db2.gz LTBNXORNMFIZBN-LBPRGKRZSA-N 1 0 292.335 2.495 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631398 809335392 /nfs/dbraw/zinc/33/53/92/809335392.db2.gz GWZZXZHSLLLXEY-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO C[N@@H+]1CCC[C@@](C)(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001162343000 809412902 /nfs/dbraw/zinc/41/29/02/809412902.db2.gz ZCWIOBOMPDQWGI-GFCCVEGCSA-N 1 0 268.292 2.025 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038938 809489662 /nfs/dbraw/zinc/48/96/62/809489662.db2.gz MJGSVQZQZXNRQJ-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1c(C[NH2+]CCC2CC(O)C2)cccc1[N+](=O)[O-] ZINC000702465522 809559908 /nfs/dbraw/zinc/55/99/08/809559908.db2.gz CEPGFTZYORJRNM-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422849 810070271 /nfs/dbraw/zinc/07/02/71/810070271.db2.gz CYPKHMHGNCAYAX-MFKMUULPSA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1nc(N[C@H]2C[NH2+]Cc3ccsc32)ncc1[N+](=O)[O-] ZINC001155571864 811090019 /nfs/dbraw/zinc/09/00/19/811090019.db2.gz VRMNYIDSKHFXNQ-VIFPVBQESA-N 1 0 291.336 2.011 20 5 CEBDRO [NH3+][C@H]1CCc2nn(-c3cc4cc[nH]c4c([N+](=O)[O-])c3)cc2C1 ZINC001168816446 811244601 /nfs/dbraw/zinc/24/46/01/811244601.db2.gz QROOOZPIZXMLHI-NSHDSACASA-N 1 0 297.318 2.078 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3[C@H]2O)C1 ZINC001168976768 811305596 /nfs/dbraw/zinc/30/55/96/811305596.db2.gz GHTGLAOXNMJHPN-WXYCVUISSA-N 1 0 290.363 2.070 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168978288 811306225 /nfs/dbraw/zinc/30/62/25/811306225.db2.gz QSLAFBWLBXMCFT-TZMCWYRMSA-N 1 0 291.351 2.050 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC2CCCCC2)C1 ZINC001168978442 811307023 /nfs/dbraw/zinc/30/70/23/811307023.db2.gz SEYTZYSMEDWCFK-KFWWJZLASA-N 1 0 284.400 2.353 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001168977053 811307416 /nfs/dbraw/zinc/30/74/16/811307416.db2.gz HJEVKIPQULSYOO-KBPBESRZSA-N 1 0 278.352 2.491 20 5 CEBDRO Cc1ccnc(CCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168979476 811307678 /nfs/dbraw/zinc/30/76/78/811307678.db2.gz YKVMGRRZNYFEGN-DZGCQCFKSA-N 1 0 277.368 2.358 20 5 CEBDRO CC(C)c1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001168979026 811308002 /nfs/dbraw/zinc/30/80/02/811308002.db2.gz WFNNGHGLTSTKBY-MNOVXSKESA-N 1 0 267.329 2.333 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001168959645 811313353 /nfs/dbraw/zinc/31/33/53/811313353.db2.gz XSAPTFWZXAZLQI-DGCLKSJQSA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001168959557 811314048 /nfs/dbraw/zinc/31/40/48/811314048.db2.gz WQKLAMOZBGFWPX-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO COc1ccccc1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959565 811314093 /nfs/dbraw/zinc/31/40/93/811314093.db2.gz WTWIBKXLLPJROH-JSGCOSHPSA-N 1 0 278.352 2.273 20 5 CEBDRO COC(=O)c1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965880 811316922 /nfs/dbraw/zinc/31/69/22/811316922.db2.gz DDVAAYSIQDANRE-YPMHNXCESA-N 1 0 292.335 2.008 20 5 CEBDRO [NH3+]CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168965714 811317850 /nfs/dbraw/zinc/31/78/50/811317850.db2.gz CFUXQAODSXAJMM-HIFRSBDPSA-N 1 0 283.416 2.415 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC001168966850 811319265 /nfs/dbraw/zinc/31/92/65/811319265.db2.gz LQOGFZBICVHESE-WCQYABFASA-N 1 0 282.315 2.240 20 5 CEBDRO [NH3+]CCc1nc2ccccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966829 811319508 /nfs/dbraw/zinc/31/95/08/811319508.db2.gz LMDVZYPOKYCNKV-NWDGAFQWSA-N 1 0 288.351 2.155 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001168973407 811322064 /nfs/dbraw/zinc/32/20/64/811322064.db2.gz OPVKZEWHAFDPLG-RYUDHWBXSA-N 1 0 282.315 2.369 20 5 CEBDRO Cc1cccnc1C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999069 811326217 /nfs/dbraw/zinc/32/62/17/811326217.db2.gz RSKDOSSKEOATRO-KBPBESRZSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCCC3)C2)C1 ZINC001168997240 811326373 /nfs/dbraw/zinc/32/63/73/811326373.db2.gz YFAIAIMFVXPPGG-XHSDSOJGSA-N 1 0 295.427 2.286 20 5 CEBDRO Cc1cccc([C@@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998183 811326541 /nfs/dbraw/zinc/32/65/41/811326541.db2.gz JGPDZJKZIDEFSK-AEGPPILISA-N 1 0 278.352 2.063 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006676 811332278 /nfs/dbraw/zinc/33/22/78/811332278.db2.gz IXZJNEKQYGPAAM-IUODEOHRSA-N 1 0 290.363 2.499 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001169007252 811333263 /nfs/dbraw/zinc/33/32/63/811333263.db2.gz MCOQMCDCSKUVGC-GDBMZVCRSA-N 1 0 295.427 2.382 20 5 CEBDRO Nc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169010207 811334188 /nfs/dbraw/zinc/33/41/88/811334188.db2.gz ZVLRCCDXASIIIQ-FZMZJTMJSA-N 1 0 275.352 2.293 20 5 CEBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988637 811338341 /nfs/dbraw/zinc/33/83/41/811338341.db2.gz TYBLZDFLIIXXTK-XBFCOCLRSA-N 1 0 278.352 2.358 20 5 CEBDRO Cc1nc2c(s1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033658 811346438 /nfs/dbraw/zinc/34/64/38/811346438.db2.gz CZLWFXSSDQGZNH-QWRGUYRKSA-N 1 0 281.381 2.255 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC001169034215 811347203 /nfs/dbraw/zinc/34/72/03/811347203.db2.gz GAHYJVPSNJXDIM-BPLDGKMQSA-N 1 0 275.352 2.316 20 5 CEBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039171 811348412 /nfs/dbraw/zinc/34/84/12/811348412.db2.gz NWYOTPMTSBMAKX-UMVBOHGHSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](C2CCC2)C2CCOCC2)C1 ZINC001169057430 811359454 /nfs/dbraw/zinc/35/94/54/811359454.db2.gz VGIURQUUSLAKBC-DOMZBBRYSA-N 1 0 282.384 2.465 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ncc(C(C)(C)C)cc2[N+](=O)[O-])n1 ZINC001169227654 811440406 /nfs/dbraw/zinc/44/04/06/811440406.db2.gz DNGLSTDXKQTWPY-SECBINFHSA-N 1 0 289.339 2.493 20 5 CEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001169605772 811585351 /nfs/dbraw/zinc/58/53/51/811585351.db2.gz VGTQRNBJUKTGEA-MWKHJINRSA-N 1 0 252.358 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169718816 811641252 /nfs/dbraw/zinc/64/12/52/811641252.db2.gz YTOCBGOIBFAKEK-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC1C[NH+](C)C1 ZINC001170258248 812363683 /nfs/dbraw/zinc/36/36/83/812363683.db2.gz HLZBNRBURINHLW-UHFFFAOYSA-N 1 0 253.277 2.016 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170299845 812376790 /nfs/dbraw/zinc/37/67/90/812376790.db2.gz WQQHKWFRLIFHMF-NSHDSACASA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC001170298405 812377200 /nfs/dbraw/zinc/37/72/00/812377200.db2.gz KZUOOPGTWJWIQU-LLVKDONJSA-N 1 0 296.367 2.143 20 5 CEBDRO COCC1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329797 812389640 /nfs/dbraw/zinc/38/96/40/812389640.db2.gz UTKIFXFNTFIJCQ-NSHDSACASA-N 1 0 294.351 2.113 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CCO)c([N+](=O)[O-])c1 ZINC001170307831 812390062 /nfs/dbraw/zinc/39/00/62/812390062.db2.gz IOOJPKXDLYQHER-LLVKDONJSA-N 1 0 296.367 2.285 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898785 815539450 /nfs/dbraw/zinc/53/94/50/815539450.db2.gz JGLCAKUPZNKKMB-SMDDNHRTSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC(CO)C1)CC2 ZINC001172900579 815539646 /nfs/dbraw/zinc/53/96/46/815539646.db2.gz WCKJFFDYPHAXMZ-WPBUFGDCSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897646 815539964 /nfs/dbraw/zinc/53/99/64/815539964.db2.gz BWCYRJHQEPAAMR-WFASDCNBSA-N 1 0 291.395 2.382 20 5 CEBDRO COCC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907053 815541003 /nfs/dbraw/zinc/54/10/03/815541003.db2.gz CDXDQIKFTYOGHC-AWEZNQCLSA-N 1 0 278.352 2.420 20 5 CEBDRO C[NH+]1CC(CNc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001159218951 813302124 /nfs/dbraw/zinc/30/21/24/813302124.db2.gz URTLAKBJAPINLY-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)CC[NH+](C)C ZINC001135504064 813447886 /nfs/dbraw/zinc/44/78/86/813447886.db2.gz AYYDGWRSDJYJOZ-NSHDSACASA-N 1 0 279.340 2.430 20 5 CEBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001116037565 814765612 /nfs/dbraw/zinc/76/56/12/814765612.db2.gz TZAGMMLGRLJSHZ-VHSXEESVSA-N 1 0 297.380 2.259 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000712570076 814767200 /nfs/dbraw/zinc/76/72/00/814767200.db2.gz DCJIKJCKPLWATQ-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712565724 814767276 /nfs/dbraw/zinc/76/72/76/814767276.db2.gz QVCAQVMOHQGYDU-KBPBESRZSA-N 1 0 263.341 2.340 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000712569721 814767284 /nfs/dbraw/zinc/76/72/84/814767284.db2.gz BXNRKINJOAGGDV-SMDDNHRTSA-N 1 0 263.341 2.340 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000714613665 814905137 /nfs/dbraw/zinc/90/51/37/814905137.db2.gz KBUXWDFRLSTPAD-MQMHXKEQSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000714981497 814920415 /nfs/dbraw/zinc/92/04/15/814920415.db2.gz CEILUKMWVZWUKM-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cnc(CC[NH3+])n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215116 815623614 /nfs/dbraw/zinc/62/36/14/815623614.db2.gz SJQFJEULIYNFQV-LLVKDONJSA-N 1 0 288.351 2.405 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001173219184 815625045 /nfs/dbraw/zinc/62/50/45/815625045.db2.gz YMDSHFOALPKZMC-CORIIIEPSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2c1C[NH2+]CC2 ZINC001173220783 815625891 /nfs/dbraw/zinc/62/58/91/815625891.db2.gz CKYWDBZNOKHJMR-LLVKDONJSA-N 1 0 286.335 2.241 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC[C@@H]1F ZINC001173230036 815631629 /nfs/dbraw/zinc/63/16/29/815631629.db2.gz PXUDDNQUHDMUCV-SWHYSGLUSA-N 1 0 282.315 2.242 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCCO1 ZINC001173209205 815635184 /nfs/dbraw/zinc/63/51/84/815635184.db2.gz AJNWMNKFONGMIB-ZDUSSCGKSA-N 1 0 293.367 2.143 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccno1 ZINC001173209284 815635434 /nfs/dbraw/zinc/63/54/34/815635434.db2.gz BANYYHKNHWDCJV-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@@H](NC(=O)[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001141891485 816597105 /nfs/dbraw/zinc/59/71/05/816597105.db2.gz UGLLBIYSUQPUOM-NWDGAFQWSA-N 1 0 293.367 2.360 20 5 CEBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[C@H]2CCC[NH2+]2)s1 ZINC000261657486 816621719 /nfs/dbraw/zinc/62/17/19/816621719.db2.gz DSZKKCSFGMSDAB-MRVPVSSYSA-N 1 0 293.352 2.154 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000449091903 282097404 /nfs/dbraw/zinc/09/74/04/282097404.db2.gz RJKLAACFYOKRPN-LLVKDONJSA-N 1 0 264.325 2.294 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000035019475 361804308 /nfs/dbraw/zinc/80/43/08/361804308.db2.gz HSLCLDMTJFAIIV-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccn(C)c1 ZINC000124997184 187165246 /nfs/dbraw/zinc/16/52/46/187165246.db2.gz NFJZNNWUALGLSY-UHFFFAOYSA-N 1 0 275.308 2.232 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449192257 282136965 /nfs/dbraw/zinc/13/69/65/282136965.db2.gz UAFDGWWJNOFSAD-JGRMJRGVSA-N 1 0 298.408 2.273 20 5 CEBDRO CC[C@@](C)(CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220413 282146349 /nfs/dbraw/zinc/14/63/49/282146349.db2.gz QBAOOVBEJIRXLU-RISCZKNCSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000037668391 361919464 /nfs/dbraw/zinc/91/94/64/361919464.db2.gz RTALSCDTFWTLDZ-XUJVJEKNSA-N 1 0 277.368 2.413 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449322635 282187978 /nfs/dbraw/zinc/18/79/78/282187978.db2.gz YKXGQQULQBIFHO-JSGCOSHPSA-N 1 0 280.368 2.380 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000041911605 362052259 /nfs/dbraw/zinc/05/22/59/362052259.db2.gz DBFVYWMREZTGDM-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042813520 362121018 /nfs/dbraw/zinc/12/10/18/362121018.db2.gz WZLYSFFMKIXNBT-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294986385 199286035 /nfs/dbraw/zinc/28/60/35/199286035.db2.gz HCNKPZHVUIXMGC-ZYHUDNBSSA-N 1 0 288.294 2.397 20 5 CEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449458323 282245093 /nfs/dbraw/zinc/24/50/93/282245093.db2.gz JAGLTEWXLJZUDS-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000007203114 343358470 /nfs/dbraw/zinc/35/84/70/343358470.db2.gz UQUGGXOGMGFZRK-SSDOTTSWSA-N 1 0 291.336 2.403 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000449479093 282253380 /nfs/dbraw/zinc/25/33/80/282253380.db2.gz UBQSTVNZXUBRKV-AWEZNQCLSA-N 1 0 298.339 2.214 20 5 CEBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCCCC1 ZINC000041297860 343439704 /nfs/dbraw/zinc/43/97/04/343439704.db2.gz STJGMCPYTWANIN-UHFFFAOYSA-N 1 0 295.339 2.182 20 5 CEBDRO COCC(COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449532500 282275047 /nfs/dbraw/zinc/27/50/47/282275047.db2.gz AKMPUJUNRZKIQB-UHFFFAOYSA-N 1 0 296.367 2.469 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC1 ZINC000046602511 343501529 /nfs/dbraw/zinc/50/15/29/343501529.db2.gz UVSZYTZYVCYENK-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000601977272 346947863 /nfs/dbraw/zinc/94/78/63/346947863.db2.gz SQDZKIFSXFESBT-GFCCVEGCSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336724202 365786234 /nfs/dbraw/zinc/78/62/34/365786234.db2.gz BECMFPOTUFETRT-CBAPKCEASA-N 1 0 258.368 2.497 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000066137406 343707686 /nfs/dbraw/zinc/70/76/86/343707686.db2.gz GZTGJMZZXVHBDQ-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCC1 ZINC000067164554 343731246 /nfs/dbraw/zinc/73/12/46/343731246.db2.gz DYWICJGDUDBHCU-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2ccnn2)c(Cl)c1 ZINC000126944149 187272173 /nfs/dbraw/zinc/27/21/73/187272173.db2.gz OWXDMLPSTXZARS-UHFFFAOYSA-N 1 0 295.730 2.020 20 5 CEBDRO C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290553453 197748540 /nfs/dbraw/zinc/74/85/40/197748540.db2.gz BAVZVSUNGCLFFZ-LURJTMIESA-N 1 0 279.123 2.372 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075640144 343860857 /nfs/dbraw/zinc/86/08/57/343860857.db2.gz PBIRBODAINJONJ-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000076300619 343887951 /nfs/dbraw/zinc/88/79/51/343887951.db2.gz BCGRSUJMTGHOKG-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000048484607 362277232 /nfs/dbraw/zinc/27/72/32/362277232.db2.gz WJANGXXBNWLJAZ-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078583642 343958200 /nfs/dbraw/zinc/95/82/00/343958200.db2.gz CDBPKWZOIIGLFX-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CC1CC[NH+](CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000048966525 362317452 /nfs/dbraw/zinc/31/74/52/362317452.db2.gz ZJNIHLHOVCSVGN-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](C)O ZINC000083171018 344075232 /nfs/dbraw/zinc/07/52/32/344075232.db2.gz HZMLYLWVUHXCIQ-SNVBAGLBSA-N 1 0 293.323 2.327 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049096338 362339338 /nfs/dbraw/zinc/33/93/38/362339338.db2.gz BKWGGSZLKJMHAM-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000091482576 344164765 /nfs/dbraw/zinc/16/47/65/344164765.db2.gz UBGVHJXIWLLCTN-CYBMUJFWSA-N 1 0 261.325 2.491 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C1CC1)[NH+](C)C ZINC000091481941 344164984 /nfs/dbraw/zinc/16/49/84/344164984.db2.gz HSALCCGTESRGFQ-OAHLLOKOSA-N 1 0 293.367 2.493 20 5 CEBDRO Cn1cc(C[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])n1 ZINC000602430034 347029312 /nfs/dbraw/zinc/02/93/12/347029312.db2.gz KBWKQECPBYPXQC-UHFFFAOYSA-N 1 0 266.345 2.483 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000090522984 344140719 /nfs/dbraw/zinc/14/07/19/344140719.db2.gz BBZNWAYXDHBQSW-JSGCOSHPSA-N 1 0 291.351 2.021 20 5 CEBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049480638 362367043 /nfs/dbraw/zinc/36/70/43/362367043.db2.gz CEEJTOLGPIYUGG-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000094136455 344233690 /nfs/dbraw/zinc/23/36/90/344233690.db2.gz UBNXJDLRXUQTAL-NSHDSACASA-N 1 0 295.387 2.177 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000092650600 344197326 /nfs/dbraw/zinc/19/73/26/344197326.db2.gz OJCWUMYBRKQOPZ-CYBMUJFWSA-N 1 0 297.330 2.495 20 5 CEBDRO Cc1c(CN2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499177 344315121 /nfs/dbraw/zinc/31/51/21/344315121.db2.gz VKZUKEAGSZJXKG-GWCFXTLKSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541041 344337469 /nfs/dbraw/zinc/33/74/69/344337469.db2.gz VXYOEGPDXSHMDP-OLZOCXBDSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122552369 344307062 /nfs/dbraw/zinc/30/70/62/344307062.db2.gz GKBOQTJHAMJHQJ-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122530055 344307106 /nfs/dbraw/zinc/30/71/06/344307106.db2.gz CMEWLHRZVMRHLH-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000144545866 344407801 /nfs/dbraw/zinc/40/78/01/344407801.db2.gz XSBLMLFNMRLZDG-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1C[NH2+]C1 ZINC000357060283 529982332 /nfs/dbraw/zinc/98/23/32/529982332.db2.gz XVGSZQUSQRJUQP-UHFFFAOYSA-N 1 0 287.319 2.258 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162443599 344467520 /nfs/dbraw/zinc/46/75/20/344467520.db2.gz SWKUDZZOYIGHLL-NXEZZACHSA-N 1 0 297.742 2.248 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162443355 344467694 /nfs/dbraw/zinc/46/76/94/344467694.db2.gz SWKUDZZOYIGHLL-VHSXEESVSA-N 1 0 297.742 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCSC2)cc1 ZINC000167462196 344478388 /nfs/dbraw/zinc/47/83/88/344478388.db2.gz VEQHCRQFJFGMHO-NSHDSACASA-N 1 0 282.365 2.459 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770749 344551487 /nfs/dbraw/zinc/55/14/87/344551487.db2.gz CWSZYOKNYWMQOG-VIFPVBQESA-N 1 0 270.358 2.194 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000228411207 344560544 /nfs/dbraw/zinc/56/05/44/344560544.db2.gz ARSQYYQKZWJDCB-UHFFFAOYSA-N 1 0 288.303 2.469 20 5 CEBDRO Cc1c(C[N@@H+](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000050103860 362400036 /nfs/dbraw/zinc/40/00/36/362400036.db2.gz IKXXDKXKIGZRGS-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO [NH3+]C[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444828 362421762 /nfs/dbraw/zinc/42/17/62/362421762.db2.gz YIAJXXFBTJGSQV-SNVBAGLBSA-N 1 0 283.759 2.419 20 5 CEBDRO CC(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602500914 347058784 /nfs/dbraw/zinc/05/87/84/347058784.db2.gz BMVKACZOEGEAML-UHFFFAOYSA-N 1 0 278.356 2.204 20 5 CEBDRO C[C@H](O)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051837640 362440370 /nfs/dbraw/zinc/44/03/70/362440370.db2.gz RNIIQEGWPQKPHO-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050182615 362407738 /nfs/dbraw/zinc/40/77/38/362407738.db2.gz CJCYGMBGBUDGSK-UHFFFAOYSA-N 1 0 274.324 2.349 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000051916536 362448115 /nfs/dbraw/zinc/44/81/15/362448115.db2.gz XWWJQXIUFDYJKL-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO COCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602504906 347060275 /nfs/dbraw/zinc/06/02/75/347060275.db2.gz NJTXXESEUPLZIW-UHFFFAOYSA-N 1 0 295.158 2.155 20 5 CEBDRO C[C@@H](O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272624249 344667852 /nfs/dbraw/zinc/66/78/52/344667852.db2.gz VEUHLEKSSBMZEG-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285320242 344678464 /nfs/dbraw/zinc/67/84/64/344678464.db2.gz MXYPSSSWFZNQRZ-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514595 347063686 /nfs/dbraw/zinc/06/36/86/347063686.db2.gz LGSGEMYPDBLKSF-BDAKNGLRSA-N 1 0 261.281 2.482 20 5 CEBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000313973406 344743965 /nfs/dbraw/zinc/74/39/65/344743965.db2.gz HYSAZOMXQOKIFV-JTQLQIEISA-N 1 0 289.339 2.148 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000305192171 344710047 /nfs/dbraw/zinc/71/00/47/344710047.db2.gz YLUZVCSWYDYZDT-NSHDSACASA-N 1 0 264.325 2.326 20 5 CEBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1csc([N+](=O)[O-])c1 ZINC000401671339 344869176 /nfs/dbraw/zinc/86/91/76/344869176.db2.gz QZZCJJBCHSABOG-SNVBAGLBSA-N 1 0 295.364 2.061 20 5 CEBDRO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222907 344878238 /nfs/dbraw/zinc/87/82/38/344878238.db2.gz ZPVDROPUZDUVBQ-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000588819011 345056338 /nfs/dbraw/zinc/05/63/38/345056338.db2.gz GIRLVLKDKJJTAV-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000590122724 345115248 /nfs/dbraw/zinc/11/52/48/345115248.db2.gz FFEFHLBKJKLKGZ-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000590245305 345123138 /nfs/dbraw/zinc/12/31/38/345123138.db2.gz SXQBKMNUWNULMC-NSHDSACASA-N 1 0 282.340 2.377 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052488 345111208 /nfs/dbraw/zinc/11/12/08/345111208.db2.gz DAPSLQRBYKQYSL-DZGCQCFKSA-N 1 0 275.352 2.039 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000590702023 345163908 /nfs/dbraw/zinc/16/39/08/345163908.db2.gz NSURPFLXRNBJEH-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590402717 345133473 /nfs/dbraw/zinc/13/34/73/345133473.db2.gz FBEYNEFEMUVEPP-PSASIEDQSA-N 1 0 297.380 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCC[NH2+]1 ZINC000591275567 345236880 /nfs/dbraw/zinc/23/68/80/345236880.db2.gz DQPBFPDRIFGQEK-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO CCOc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591436867 345253770 /nfs/dbraw/zinc/25/37/70/345253770.db2.gz BZISXBKHBMIPJI-DGCLKSJQSA-N 1 0 291.351 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1(O)CCC1)CC2 ZINC000591016047 345211314 /nfs/dbraw/zinc/21/13/14/345211314.db2.gz JMAWDAPHCLBTJE-UHFFFAOYSA-N 1 0 276.336 2.258 20 5 CEBDRO O=[N+]([O-])c1ccccc1NCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356738 345344627 /nfs/dbraw/zinc/34/46/27/345344627.db2.gz HKAFQICNRWNJSE-JTQLQIEISA-N 1 0 289.295 2.014 20 5 CEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000593210675 345453501 /nfs/dbraw/zinc/45/35/01/345453501.db2.gz XJZSBCRILFLDIG-UHFFFAOYSA-N 1 0 299.396 2.364 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592832211 345401761 /nfs/dbraw/zinc/40/17/61/345401761.db2.gz TVDNPIPOSVOVII-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1O ZINC000594494768 345637673 /nfs/dbraw/zinc/63/76/73/345637673.db2.gz FSRNPUDSUQONJD-KCQAQPDRSA-N 1 0 276.336 2.475 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000594591240 345653145 /nfs/dbraw/zinc/65/31/45/345653145.db2.gz IUCMDLGHILSBLN-JGZJWPJOSA-N 1 0 267.304 2.486 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000594591073 345653185 /nfs/dbraw/zinc/65/31/85/345653185.db2.gz KNGXXODYFKVUIO-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000594592817 345654070 /nfs/dbraw/zinc/65/40/70/345654070.db2.gz YLBZVAZQZHIJPJ-AOOOYVTPSA-N 1 0 267.304 2.486 20 5 CEBDRO Cc1ccc(CNCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738117 345682695 /nfs/dbraw/zinc/68/26/95/345682695.db2.gz HYQBRLZAACOSRO-UHFFFAOYSA-N 1 0 263.341 2.264 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000595074061 345739936 /nfs/dbraw/zinc/73/99/36/345739936.db2.gz VGWGNCIRELKTCM-SGUJLRQBSA-N 1 0 280.324 2.193 20 5 CEBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594966152 345719016 /nfs/dbraw/zinc/71/90/16/345719016.db2.gz NQKSHTQAVPYANM-TXNVCOODSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cs1 ZINC000594990336 345722461 /nfs/dbraw/zinc/72/24/61/345722461.db2.gz XDEJZDRLMYPCKA-VHSXEESVSA-N 1 0 268.338 2.049 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000595010877 345726287 /nfs/dbraw/zinc/72/62/87/345726287.db2.gz ZNPDQBYWIQBYLE-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018292 345728219 /nfs/dbraw/zinc/72/82/19/345728219.db2.gz NGKTZEAOHGHPAB-JQWIXIFHSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCn2nccc21 ZINC000595024484 345730423 /nfs/dbraw/zinc/73/04/23/345730423.db2.gz GKMKIKYKRAPCKG-ZDUSSCGKSA-N 1 0 286.335 2.459 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045879 345734122 /nfs/dbraw/zinc/73/41/22/345734122.db2.gz UVFJZUGWBFJZHN-MWLCHTKSSA-N 1 0 268.313 2.025 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064679 345737977 /nfs/dbraw/zinc/73/79/77/345737977.db2.gz AFEBXJBICZPYSZ-MNOVXSKESA-N 1 0 264.325 2.406 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399631 345774818 /nfs/dbraw/zinc/77/48/18/345774818.db2.gz DSBSJIRBWASJQM-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO Cc1noc(CN(C)CC2(O)CCCCCC2)c1[N+](=O)[O-] ZINC000595446116 345784790 /nfs/dbraw/zinc/78/47/90/345784790.db2.gz KLXWMCRDZNXFMY-UHFFFAOYSA-N 1 0 297.355 2.408 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000595454709 345786794 /nfs/dbraw/zinc/78/67/94/345786794.db2.gz OGGVGTZTNJCYBI-GWCFXTLKSA-N 1 0 282.315 2.375 20 5 CEBDRO COCC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595498045 345796722 /nfs/dbraw/zinc/79/67/22/345796722.db2.gz AHMDINZHHUIATC-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO CO[C@H]1C[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595520714 345802528 /nfs/dbraw/zinc/80/25/28/345802528.db2.gz SPDOCBQKFBBSPM-RYUDHWBXSA-N 1 0 295.339 2.281 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595533448 345804955 /nfs/dbraw/zinc/80/49/55/345804955.db2.gz MMHVXBMJPPMDAO-YPMHNXCESA-N 1 0 268.288 2.391 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595613717 345827917 /nfs/dbraw/zinc/82/79/17/345827917.db2.gz AIMUOLWLGPULII-CYBMUJFWSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750137 345865861 /nfs/dbraw/zinc/86/58/61/345865861.db2.gz OWSSCOOERPBIDJ-OAHLLOKOSA-N 1 0 276.336 2.332 20 5 CEBDRO COc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595749892 345865965 /nfs/dbraw/zinc/86/59/65/345865965.db2.gz NSLPMHTUPUFOKL-QWRGUYRKSA-N 1 0 294.351 2.052 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595751430 345866586 /nfs/dbraw/zinc/86/65/86/345866586.db2.gz QJHRVAJYDDZREZ-OAHLLOKOSA-N 1 0 276.336 2.332 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756755 345868558 /nfs/dbraw/zinc/86/85/58/345868558.db2.gz WNUWSCGZRHVVPR-DOMZBBRYSA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595777662 345874481 /nfs/dbraw/zinc/87/44/81/345874481.db2.gz IVSURCFISSLCOJ-OLZOCXBDSA-N 1 0 280.299 2.127 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595924813 345914498 /nfs/dbraw/zinc/91/44/98/345914498.db2.gz PODOIJHMLVSXFG-LBPRGKRZSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596078066 345934974 /nfs/dbraw/zinc/93/49/74/345934974.db2.gz ZIWJLQNBVHZAKE-JTQLQIEISA-N 1 0 298.774 2.351 20 5 CEBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000596085019 345936110 /nfs/dbraw/zinc/93/61/10/345936110.db2.gz GANXNLSYFZMDRP-LLVKDONJSA-N 1 0 294.355 2.229 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217872 345972277 /nfs/dbraw/zinc/97/22/77/345972277.db2.gz YOPWROCVGSXGCZ-NSHDSACASA-N 1 0 294.355 2.228 20 5 CEBDRO Cc1cnc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000596235927 345976333 /nfs/dbraw/zinc/97/63/33/345976333.db2.gz BSLHURJFSRXGFA-UHFFFAOYSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596305883 345995355 /nfs/dbraw/zinc/99/53/55/345995355.db2.gz BYODMMGUHZMOHB-SECBINFHSA-N 1 0 284.385 2.006 20 5 CEBDRO C[C@@H](CCNc1nccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429601 346021569 /nfs/dbraw/zinc/02/15/69/346021569.db2.gz IGNLXEUBJCTLSN-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596453470 346028244 /nfs/dbraw/zinc/02/82/44/346028244.db2.gz KOCWRKJBNDLMCX-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000597206162 346147998 /nfs/dbraw/zinc/14/79/98/346147998.db2.gz QUWCTHUSCFAYBO-VXGBXAGGSA-N 1 0 278.352 2.352 20 5 CEBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000602585663 347089299 /nfs/dbraw/zinc/08/92/99/347089299.db2.gz HWQJZTWODGHOTR-YPMHNXCESA-N 1 0 291.351 2.132 20 5 CEBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000597947238 346256056 /nfs/dbraw/zinc/25/60/56/346256056.db2.gz WJRHRJHMPISIEV-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000598342424 346332100 /nfs/dbraw/zinc/33/21/00/346332100.db2.gz NAKUBMCABMLIHD-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000598682893 346400074 /nfs/dbraw/zinc/40/00/74/346400074.db2.gz QEZDGYIPUHHLEA-QMTHXVAHSA-N 1 0 279.315 2.047 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1COC1 ZINC000599010174 346445565 /nfs/dbraw/zinc/44/55/65/346445565.db2.gz RDGMKICAZOSYII-VZUCSPMQSA-N 1 0 262.309 2.234 20 5 CEBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000336793135 365815154 /nfs/dbraw/zinc/81/51/54/365815154.db2.gz VOIGCNVJWAYCBU-LBPRGKRZSA-N 1 0 254.261 2.003 20 5 CEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C1CC[NH+](C)CC1 ZINC000599045704 346451978 /nfs/dbraw/zinc/45/19/78/346451978.db2.gz ZHJDFFCAFFGXAA-SECBINFHSA-N 1 0 296.346 2.458 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC000599078837 346456484 /nfs/dbraw/zinc/45/64/84/346456484.db2.gz BVKPVXBVJBLUAC-LLVKDONJSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1COC1)CCC2 ZINC000599083938 346457987 /nfs/dbraw/zinc/45/79/87/346457987.db2.gz YNFIMKVTAQHSKR-AWEZNQCLSA-N 1 0 262.309 2.208 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[NH+](C)C ZINC000085636018 179109213 /nfs/dbraw/zinc/10/92/13/179109213.db2.gz GVXPRWWBFGMSLP-UHFFFAOYSA-N 1 0 294.355 2.237 20 5 CEBDRO Cc1cc(C(=O)NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000129129185 365827718 /nfs/dbraw/zinc/82/77/18/365827718.db2.gz QLIQCMYRVFYIFB-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600892494 346705037 /nfs/dbraw/zinc/70/50/37/346705037.db2.gz RKUHDOCLJUDOIC-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601136651 346765384 /nfs/dbraw/zinc/76/53/84/346765384.db2.gz IQROPBPUBCREFO-UHFFFAOYSA-N 1 0 256.277 2.441 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601140170 346766948 /nfs/dbraw/zinc/76/69/48/346766948.db2.gz SEZXMVHNERYITL-GFCCVEGCSA-N 1 0 252.314 2.236 20 5 CEBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812415 365851435 /nfs/dbraw/zinc/85/14/35/365851435.db2.gz AFRYOVYJMILNAX-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H](O)C(F)F ZINC000601147535 346769030 /nfs/dbraw/zinc/76/90/30/346769030.db2.gz QWYQOUHJJUVJKH-KTLBGCOUSA-N 1 0 286.278 2.214 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000236901595 370649796 /nfs/dbraw/zinc/64/97/96/370649796.db2.gz UTWVTGUOAQJSQT-CQSZACIVSA-N 1 0 293.367 2.459 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814626 365856852 /nfs/dbraw/zinc/85/68/52/365856852.db2.gz XPYWANCBCZLWIA-ONGXEEELSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000602677597 347138697 /nfs/dbraw/zinc/13/86/97/347138697.db2.gz JBKZWMXBJMPLAI-VXGBXAGGSA-N 1 0 288.294 2.132 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000602766797 347189677 /nfs/dbraw/zinc/18/96/77/347189677.db2.gz CDRXJQVPYQGOSE-NSHDSACASA-N 1 0 268.361 2.466 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804596 347206534 /nfs/dbraw/zinc/20/65/34/347206534.db2.gz KEEQNPHVVKBTRN-QWRGUYRKSA-N 1 0 287.323 2.024 20 5 CEBDRO CCC[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732115 347175912 /nfs/dbraw/zinc/17/59/12/347175912.db2.gz OGRDKDQNXDLJMS-HUUCEWRRSA-N 1 0 296.367 2.207 20 5 CEBDRO CCn1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602817754 347211912 /nfs/dbraw/zinc/21/19/12/347211912.db2.gz WDFUPNRYBYFORK-UHFFFAOYSA-N 1 0 291.355 2.053 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000602817069 347211953 /nfs/dbraw/zinc/21/19/53/347211953.db2.gz SBKCOIXLVXRXIQ-UTUOFQBUSA-N 1 0 280.372 2.466 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C2CC2)CC1 ZINC000602838720 347219929 /nfs/dbraw/zinc/21/99/29/347219929.db2.gz GYTRUAXNGOYEOJ-UHFFFAOYSA-N 1 0 278.356 2.222 20 5 CEBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845192 347222826 /nfs/dbraw/zinc/22/28/26/347222826.db2.gz GEXRLWVVNKRZCY-MNOVXSKESA-N 1 0 266.345 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000602879370 347236145 /nfs/dbraw/zinc/23/61/45/347236145.db2.gz CVIHGEIMISVBAL-CYBMUJFWSA-N 1 0 288.307 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000085962968 179204610 /nfs/dbraw/zinc/20/46/10/179204610.db2.gz JVBPZMGZAFNQCP-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO CCc1nn(C)c(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603405978 347360832 /nfs/dbraw/zinc/36/08/32/347360832.db2.gz JUCYJTKCGCHYND-QWRGUYRKSA-N 1 0 295.387 2.031 20 5 CEBDRO Cc1ccc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603418219 347365220 /nfs/dbraw/zinc/36/52/20/347365220.db2.gz DNTBGTNTERNERJ-JTQLQIEISA-N 1 0 267.354 2.020 20 5 CEBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583502 347645235 /nfs/dbraw/zinc/64/52/35/347645235.db2.gz MJCLDXBZVXDOAL-NSHDSACASA-N 1 0 291.351 2.055 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000609595616 347645653 /nfs/dbraw/zinc/64/56/53/347645653.db2.gz XQOGZMOHXUDUDH-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000609613883 347646619 /nfs/dbraw/zinc/64/66/19/347646619.db2.gz ZHZFJGSZKWQVPP-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000129944478 365910198 /nfs/dbraw/zinc/91/01/98/365910198.db2.gz GGAJTVLFCJLPBE-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000610636302 347697707 /nfs/dbraw/zinc/69/77/07/347697707.db2.gz NGULVSKZLZBCLR-QWRGUYRKSA-N 1 0 279.340 2.031 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610655624 347698904 /nfs/dbraw/zinc/69/89/04/347698904.db2.gz CRZNCFDCAPGCHB-GFCCVEGCSA-N 1 0 266.345 2.364 20 5 CEBDRO C[C@H](Nc1cccnc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000610661481 347699307 /nfs/dbraw/zinc/69/93/07/347699307.db2.gz VEVUYZDMPAUXJI-JTQLQIEISA-N 1 0 266.345 2.378 20 5 CEBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC1 ZINC000611272193 347761860 /nfs/dbraw/zinc/76/18/60/347761860.db2.gz GKUGOHKASMKBPI-UHFFFAOYSA-N 1 0 278.308 2.350 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)CO ZINC000611235461 347754531 /nfs/dbraw/zinc/75/45/31/347754531.db2.gz BMXOMLFPAYPWGJ-GFCCVEGCSA-N 1 0 266.341 2.434 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992677 365914612 /nfs/dbraw/zinc/91/46/12/365914612.db2.gz JPLRSEKQMRRJSB-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336885526 365933005 /nfs/dbraw/zinc/93/30/05/365933005.db2.gz AUDLKAAOZFWGKT-VIFPVBQESA-N 1 0 256.327 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCOCC2)cc1 ZINC000086874102 179364836 /nfs/dbraw/zinc/36/48/36/179364836.db2.gz HBIBCNUYMLEOAF-CYBMUJFWSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000614711172 348230878 /nfs/dbraw/zinc/23/08/78/348230878.db2.gz HMOMBNUDCMNYIY-NXEZZACHSA-N 1 0 297.380 2.177 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000273377749 192131855 /nfs/dbraw/zinc/13/18/55/192131855.db2.gz HDKYINPRFVBGJV-AAEUAGOBSA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000088147794 179556710 /nfs/dbraw/zinc/55/67/10/179556710.db2.gz NKTPMQHRYKBGOY-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129149743 187413503 /nfs/dbraw/zinc/41/35/03/187413503.db2.gz YDDLHTOGBLFNMR-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000618905625 349063926 /nfs/dbraw/zinc/06/39/26/349063926.db2.gz ZNLFKGZCPVYHAK-SNVBAGLBSA-N 1 0 250.298 2.200 20 5 CEBDRO Cc1c(CN[C@H](C)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339388 233176811 /nfs/dbraw/zinc/17/68/11/233176811.db2.gz GITLJDFOKVPLOZ-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000412066187 233327624 /nfs/dbraw/zinc/32/76/24/233327624.db2.gz DBKXWPKJECYWSO-JSGCOSHPSA-N 1 0 278.352 2.230 20 5 CEBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091491267 180170767 /nfs/dbraw/zinc/17/07/67/180170767.db2.gz KRTFIGRYLFSRNX-UHFFFAOYSA-N 1 0 284.743 2.451 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000091550287 180188820 /nfs/dbraw/zinc/18/88/20/180188820.db2.gz DRLLCTDNDMHRGC-NWDGAFQWSA-N 1 0 293.371 2.158 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274122344 192450103 /nfs/dbraw/zinc/45/01/03/192450103.db2.gz XEHFCCCRSHEDBS-QWRGUYRKSA-N 1 0 280.324 2.272 20 5 CEBDRO CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092026857 180308666 /nfs/dbraw/zinc/30/86/66/180308666.db2.gz ONGURCZSQKHZMU-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794611 186071705 /nfs/dbraw/zinc/07/17/05/186071705.db2.gz MZAVKFHSCOUKTO-NSHDSACASA-N 1 0 289.339 2.367 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000105895620 186085297 /nfs/dbraw/zinc/08/52/97/186085297.db2.gz FQSCCSBZWPRDJB-JTQLQIEISA-N 1 0 279.340 2.160 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393838 180376248 /nfs/dbraw/zinc/37/62/48/180376248.db2.gz MSFBTQAKJLQLLM-GWCFXTLKSA-N 1 0 252.314 2.262 20 5 CEBDRO COC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352212514 219364537 /nfs/dbraw/zinc/36/45/37/219364537.db2.gz QMEFHQKJMXDBOW-UHFFFAOYSA-N 1 0 250.298 2.204 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@@H](C)O ZINC000352212268 219365642 /nfs/dbraw/zinc/36/56/42/219365642.db2.gz OBDLMQCNCLPJMY-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO Cc1cccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000110646918 186309807 /nfs/dbraw/zinc/30/98/07/186309807.db2.gz LWXDIIRWXOAWHX-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352234999 219376391 /nfs/dbraw/zinc/37/63/91/219376391.db2.gz PWZDVDWTDCPGAI-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070170078 363043831 /nfs/dbraw/zinc/04/38/31/363043831.db2.gz UTOPFCIBRGZRQN-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070175314 363048925 /nfs/dbraw/zinc/04/89/25/363048925.db2.gz MIJYSSLPZAUYPC-GXSJLCMTSA-N 1 0 269.370 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000122073036 187013953 /nfs/dbraw/zinc/01/39/53/187013953.db2.gz YTYXDZLUNWAULE-SECBINFHSA-N 1 0 256.689 2.127 20 5 CEBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000291897284 198099127 /nfs/dbraw/zinc/09/91/27/198099127.db2.gz PQLQLEZLIVQKCQ-MRVPVSSYSA-N 1 0 295.368 2.209 20 5 CEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123684503 187104125 /nfs/dbraw/zinc/10/41/25/187104125.db2.gz CQWCCLYYAWPQAZ-AAEUAGOBSA-N 1 0 291.351 2.150 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000339889163 215383226 /nfs/dbraw/zinc/38/32/26/215383226.db2.gz GYIVDTCJELZBKV-UHFFFAOYSA-N 1 0 282.259 2.495 20 5 CEBDRO CC(C)([NH2+]CCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292114828 198168221 /nfs/dbraw/zinc/16/82/21/198168221.db2.gz JLKYADVOMVSZGM-UHFFFAOYSA-N 1 0 274.324 2.316 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000153160782 188068284 /nfs/dbraw/zinc/06/82/84/188068284.db2.gz IBPICQGIIIDRHJ-MNOVXSKESA-N 1 0 282.340 2.273 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671760 191269778 /nfs/dbraw/zinc/26/97/78/191269778.db2.gz AZGGXBLPADPEGP-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154406121 188140813 /nfs/dbraw/zinc/14/08/13/188140813.db2.gz MFPGRIPQXFQUSJ-WDMOLILDSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCCCCCC2)c1 ZINC000157347985 188311716 /nfs/dbraw/zinc/31/17/16/188311716.db2.gz RJIOUGMXRNUXTH-UHFFFAOYSA-N 1 0 252.318 2.057 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132604855 366156453 /nfs/dbraw/zinc/15/64/53/366156453.db2.gz HLYTWOOURJHKNA-NSHDSACASA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247606 366208441 /nfs/dbraw/zinc/20/84/41/366208441.db2.gz RVRKMAAAHMMFTC-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740800 363380146 /nfs/dbraw/zinc/38/01/46/363380146.db2.gz GRZRIPIMQHGAQY-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO CCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074750914 363382386 /nfs/dbraw/zinc/38/23/86/363382386.db2.gz CDVPEFLOQKGOFO-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133523459 366233051 /nfs/dbraw/zinc/23/30/51/366233051.db2.gz QMYNBBRDOADCAI-ZJUUUORDSA-N 1 0 262.313 2.027 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778810 191320879 /nfs/dbraw/zinc/32/08/79/191320879.db2.gz KNLZXHGYWBKGGC-JSGCOSHPSA-N 1 0 296.367 2.340 20 5 CEBDRO CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251756096 540113039 /nfs/dbraw/zinc/11/30/39/540113039.db2.gz LQKRAFVYMVKLJM-QWHCGFSZSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795937 291079585 /nfs/dbraw/zinc/07/95/85/291079585.db2.gz RHNVHWUFJVZBMA-PWSUYJOCSA-N 1 0 293.323 2.004 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1cnccn1 ZINC000273706720 192271152 /nfs/dbraw/zinc/27/11/52/192271152.db2.gz FGXDSMMTKYJAEX-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO CCSCC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000273747909 192289694 /nfs/dbraw/zinc/28/96/94/192289694.db2.gz ORESNKVJJDDDHO-UHFFFAOYSA-N 1 0 254.355 2.480 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000338349751 366311058 /nfs/dbraw/zinc/31/10/58/366311058.db2.gz HMCZBVZXRJFTSU-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134530606 366333797 /nfs/dbraw/zinc/33/37/97/366333797.db2.gz WRCCWXJLUUOMGW-UHFFFAOYSA-N 1 0 295.339 2.209 20 5 CEBDRO Cc1ccnc(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134679695 366351967 /nfs/dbraw/zinc/35/19/67/366351967.db2.gz BCFXTTDGRUVEFS-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575796463 366360188 /nfs/dbraw/zinc/36/01/88/366360188.db2.gz BPUZEGYALZCGRO-CHWSQXEVSA-N 1 0 296.367 2.359 20 5 CEBDRO COc1cccc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000134913267 366373035 /nfs/dbraw/zinc/37/30/35/366373035.db2.gz LVNWEGCGDLXXDY-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000339533719 283291352 /nfs/dbraw/zinc/29/13/52/283291352.db2.gz BGXSNSTYFVVFCF-OAHLLOKOSA-N 1 0 299.330 2.301 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414657512 236434190 /nfs/dbraw/zinc/43/41/90/236434190.db2.gz KELDAAQVEQAAOX-JQWIXIFHSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135204287 366408897 /nfs/dbraw/zinc/40/88/97/366408897.db2.gz QBXYDZYETCEJRJ-AAEUAGOBSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906826 199242824 /nfs/dbraw/zinc/24/28/24/199242824.db2.gz FHKMBBQNQYPDJX-NWDGAFQWSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415491097 236675609 /nfs/dbraw/zinc/67/56/09/236675609.db2.gz YXPSVBDSWBEPHU-NXEZZACHSA-N 1 0 280.328 2.069 20 5 CEBDRO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135741730 366473765 /nfs/dbraw/zinc/47/37/65/366473765.db2.gz KHDOQEIUOOUYLI-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000578327533 366479393 /nfs/dbraw/zinc/47/93/93/366479393.db2.gz ZXSQSQIWICWIIX-CQSZACIVSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000341539883 216006562 /nfs/dbraw/zinc/00/65/62/216006562.db2.gz WPPTXZKKBNQSGB-GFCCVEGCSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000297040880 200069307 /nfs/dbraw/zinc/06/93/07/200069307.db2.gz VFBWCMGYTZBQLM-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297662072 200255445 /nfs/dbraw/zinc/25/54/45/200255445.db2.gz ZFGVNAHRXOQURS-LLVKDONJSA-N 1 0 289.339 2.002 20 5 CEBDRO C[C@H](C(=O)NC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579322006 366626212 /nfs/dbraw/zinc/62/62/12/366626212.db2.gz BWTBAWGBXGCVBN-NSHDSACASA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1cc(=O)n(C[C@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000339114725 366659156 /nfs/dbraw/zinc/65/91/56/366659156.db2.gz DBXYDDSTXJOUBG-CYBMUJFWSA-N 1 0 293.367 2.328 20 5 CEBDRO Cc1cc(NCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000081275252 363708765 /nfs/dbraw/zinc/70/87/65/363708765.db2.gz PUDLOOWORISUON-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000178224016 189098609 /nfs/dbraw/zinc/09/86/09/189098609.db2.gz QCPNXFZUTQKQQJ-GFCCVEGCSA-N 1 0 293.367 2.326 20 5 CEBDRO [NH3+]C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000342139368 216234293 /nfs/dbraw/zinc/23/42/93/216234293.db2.gz QENBWFMRBVQIDJ-UHFFFAOYSA-N 1 0 269.732 2.219 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000453599471 283603823 /nfs/dbraw/zinc/60/38/23/283603823.db2.gz RIMOIZBMONYGTB-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c1 ZINC000342251917 216278247 /nfs/dbraw/zinc/27/82/47/216278247.db2.gz RBJZSBDTWOXWSR-OCCSQVGLSA-N 1 0 278.352 2.483 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000339571492 366707666 /nfs/dbraw/zinc/70/76/66/366707666.db2.gz KHOXMVSEXOUDAQ-UWVGGRQHSA-N 1 0 250.298 2.444 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000181827456 189307408 /nfs/dbraw/zinc/30/74/08/189307408.db2.gz HOXGLXHGHXMQAL-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841421 189307941 /nfs/dbraw/zinc/30/79/41/189307941.db2.gz PPATYOQEEXSWSQ-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000342362424 216325196 /nfs/dbraw/zinc/32/51/96/216325196.db2.gz SZJDTFAGJCESNR-MFKMUULPSA-N 1 0 292.339 2.199 20 5 CEBDRO COC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183436126 189359213 /nfs/dbraw/zinc/35/92/13/189359213.db2.gz OUPIOIHNTUEEEB-OAHLLOKOSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184020809 189374689 /nfs/dbraw/zinc/37/46/89/189374689.db2.gz DZDZEIBGZBMNMB-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310354 189382928 /nfs/dbraw/zinc/38/29/28/189382928.db2.gz FQIDZTPKKKVUQU-ADWYPQAOSA-N 1 0 284.381 2.321 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301804469 201207630 /nfs/dbraw/zinc/20/76/30/201207630.db2.gz DPOWAWZLURECSC-CYBMUJFWSA-N 1 0 293.367 2.426 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185813768 189422476 /nfs/dbraw/zinc/42/24/76/189422476.db2.gz TUKCFGGSGWPXAH-VMZHVLLKSA-N 1 0 256.327 2.073 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440125 363810956 /nfs/dbraw/zinc/81/09/56/363810956.db2.gz GKPJKSZNGQCUCQ-LBPRGKRZSA-N 1 0 272.732 2.499 20 5 CEBDRO CC1(C)C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000088146773 363878768 /nfs/dbraw/zinc/87/87/68/363878768.db2.gz KBPZKWQWIVDTSN-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000088147792 363878935 /nfs/dbraw/zinc/87/89/35/363878935.db2.gz QGZLCEUCGQGZHR-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089106956 363931163 /nfs/dbraw/zinc/93/11/63/363931163.db2.gz WUZPCEUCIUTAJT-FZMZJTMJSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000572000589 299338150 /nfs/dbraw/zinc/33/81/50/299338150.db2.gz JRXDKDNSICFVND-NXEZZACHSA-N 1 0 280.328 2.151 20 5 CEBDRO COC[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237237354 370704019 /nfs/dbraw/zinc/70/40/19/370704019.db2.gz BSKXCIPYPGRINR-ZRQQLDRUSA-N 1 0 250.298 2.233 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000093873602 364236873 /nfs/dbraw/zinc/23/68/73/364236873.db2.gz UXZMPNVVQIYERL-UHFFFAOYSA-N 1 0 280.328 2.043 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093985992 364244817 /nfs/dbraw/zinc/24/48/17/364244817.db2.gz NJQPISBRTPWCJV-STQMWFEESA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282630 291306733 /nfs/dbraw/zinc/30/67/33/291306733.db2.gz FCLWGERFRGXYSS-NWDGAFQWSA-N 1 0 276.340 2.053 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000094774803 364295413 /nfs/dbraw/zinc/29/54/13/364295413.db2.gz FFQWELQDVJBGDY-ZDUSSCGKSA-N 1 0 293.342 2.404 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000581943357 366838423 /nfs/dbraw/zinc/83/84/23/366838423.db2.gz CFKBLTTWUWGDMQ-RKDXNWHRSA-N 1 0 280.328 2.151 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000581871290 366829336 /nfs/dbraw/zinc/82/93/36/366829336.db2.gz XYBWFIWIHUVVMA-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000158444777 366856513 /nfs/dbraw/zinc/85/65/13/366856513.db2.gz AJDUYWNMGKAHSW-NXEZZACHSA-N 1 0 289.339 2.366 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000353191702 219950779 /nfs/dbraw/zinc/95/07/79/219950779.db2.gz KDMSBUDDTGJCMQ-CRFLGQKZSA-N 1 0 276.336 2.359 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111829588 364762426 /nfs/dbraw/zinc/76/24/26/364762426.db2.gz PRPAUJILULIBAI-LLVKDONJSA-N 1 0 280.328 2.090 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000112017966 364769086 /nfs/dbraw/zinc/76/90/86/364769086.db2.gz YQMUVASPQLBURT-UHFFFAOYSA-N 1 0 252.314 2.236 20 5 CEBDRO CCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336990 365102613 /nfs/dbraw/zinc/10/26/13/365102613.db2.gz OPBDIDKNBXRAJJ-UHFFFAOYSA-N 1 0 293.323 2.235 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000119990850 365356887 /nfs/dbraw/zinc/35/68/87/365356887.db2.gz LAQXYMCNHYXQBQ-LBPRGKRZSA-N 1 0 282.365 2.411 20 5 CEBDRO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524506 366920786 /nfs/dbraw/zinc/92/07/86/366920786.db2.gz ISLSVTCLPABRQX-WCQYABFASA-N 1 0 289.339 2.316 20 5 CEBDRO CCOC(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)OCC ZINC000159544501 366924340 /nfs/dbraw/zinc/92/43/40/366924340.db2.gz RENJWLXWYQMWGP-UHFFFAOYSA-N 1 0 282.340 2.474 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736132 366952028 /nfs/dbraw/zinc/95/20/28/366952028.db2.gz UDSSGCRHVPFBJD-NRUUGDAUSA-N 1 0 264.325 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000582835638 366964711 /nfs/dbraw/zinc/96/47/11/366964711.db2.gz FAHNYTKRBJXNBP-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000583261716 367023132 /nfs/dbraw/zinc/02/31/32/367023132.db2.gz CXSAPHGXLJEUOT-GARJFASQSA-N 1 0 294.355 2.081 20 5 CEBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000340720502 367001354 /nfs/dbraw/zinc/00/13/54/367001354.db2.gz PJTYFESQNLCAQE-UHFFFAOYSA-N 1 0 288.307 2.237 20 5 CEBDRO CC(C)N(Cc1nncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000160840291 367037935 /nfs/dbraw/zinc/03/79/35/367037935.db2.gz WQMRHHRPVVMAQW-UHFFFAOYSA-N 1 0 289.339 2.134 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC[NH+]1CCCC1 ZINC000340896692 367079477 /nfs/dbraw/zinc/07/94/77/367079477.db2.gz HYPAQPLLGNPXAY-UHFFFAOYSA-N 1 0 295.387 2.042 20 5 CEBDRO Cc1nc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000161526742 367094183 /nfs/dbraw/zinc/09/41/83/367094183.db2.gz ANNABHYOYQGSAT-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000162840400 367195326 /nfs/dbraw/zinc/19/53/26/367195326.db2.gz DVGWVEIXVTUUPD-DGCLKSJQSA-N 1 0 291.351 2.223 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000162854477 367195775 /nfs/dbraw/zinc/19/57/75/367195775.db2.gz HPXXJUWQECSAIK-VIFPVBQESA-N 1 0 285.369 2.212 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000162861485 367197533 /nfs/dbraw/zinc/19/75/33/367197533.db2.gz CTDOMFGBNKBWTR-LLVKDONJSA-N 1 0 264.329 2.100 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341273733 367261469 /nfs/dbraw/zinc/26/14/69/367261469.db2.gz XPDSIYUIDSSSEI-GXTWGEPZSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343542538 367873680 /nfs/dbraw/zinc/87/36/80/367873680.db2.gz YHDQBHBYSWWNCI-WCBMZHEXSA-N 1 0 297.380 2.177 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343452728 367823532 /nfs/dbraw/zinc/82/35/32/367823532.db2.gz ORRGJICCQFNDQY-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173391137 367906527 /nfs/dbraw/zinc/90/65/27/367906527.db2.gz UZCZGPXHKHOXFE-SECBINFHSA-N 1 0 276.296 2.180 20 5 CEBDRO [NH3+]CC1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000343630479 367926930 /nfs/dbraw/zinc/92/69/30/367926930.db2.gz UFVSTSJUYPDQBL-UHFFFAOYSA-N 1 0 291.351 2.090 20 5 CEBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000173617845 367927653 /nfs/dbraw/zinc/92/76/53/367927653.db2.gz OUSOTPRJZPFWNT-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174516233 368032850 /nfs/dbraw/zinc/03/28/50/368032850.db2.gz RTTUFFVYZGHGEA-JTQLQIEISA-N 1 0 297.380 2.070 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000174809080 368069881 /nfs/dbraw/zinc/06/98/81/368069881.db2.gz CUYFMQABEGPOPG-SECBINFHSA-N 1 0 292.261 2.066 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174844562 368072696 /nfs/dbraw/zinc/07/26/96/368072696.db2.gz YUMUELXGHDPYPH-UHFFFAOYSA-N 1 0 280.353 2.293 20 5 CEBDRO CCSCC[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176287059 368219420 /nfs/dbraw/zinc/21/94/20/368219420.db2.gz FRMXEIUWBLVBJO-LLVKDONJSA-N 1 0 286.401 2.255 20 5 CEBDRO Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000182864353 368596837 /nfs/dbraw/zinc/59/68/37/368596837.db2.gz UXFXAIRHGUKWQP-UHFFFAOYSA-N 1 0 294.355 2.319 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+](C)C ZINC000182864670 368597042 /nfs/dbraw/zinc/59/70/42/368597042.db2.gz QRGDYFGTCHOZJM-UHFFFAOYSA-N 1 0 294.355 2.319 20 5 CEBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000346554253 368716510 /nfs/dbraw/zinc/71/65/10/368716510.db2.gz GNQJAQYJAJCBDB-CMPLNLGQSA-N 1 0 298.412 2.482 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)CO)cc1[N+](=O)[O-] ZINC000188672063 369392825 /nfs/dbraw/zinc/39/28/25/369392825.db2.gz OQNUWHDRGPRSSD-PWSUYJOCSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1ccc(-c2noc([C@H]3CC[N@@H+](C)C3)n2)cc1[N+](=O)[O-] ZINC000349961913 369465704 /nfs/dbraw/zinc/46/57/04/369465704.db2.gz YKCGXZSGSTWWRW-NSHDSACASA-N 1 0 288.307 2.372 20 5 CEBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000276108615 193216277 /nfs/dbraw/zinc/21/62/77/193216277.db2.gz ZVEJOLHIKODBLC-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000189338629 369500247 /nfs/dbraw/zinc/50/02/47/369500247.db2.gz GXNASLBRVIPJJQ-ZIAGYGMSSA-N 1 0 294.351 2.243 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCCC3)CC2)c1 ZINC000350090020 369501955 /nfs/dbraw/zinc/50/19/55/369501955.db2.gz YMLKRBKYVAGAHY-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189678067 369559257 /nfs/dbraw/zinc/55/92/57/369559257.db2.gz RBUGWFIBANDZEQ-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000189739008 369565188 /nfs/dbraw/zinc/56/51/88/369565188.db2.gz LKECSDPFFWJKFQ-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000276448652 193335026 /nfs/dbraw/zinc/33/50/26/193335026.db2.gz TUDXGKMRPQDIQB-LLVKDONJSA-N 1 0 294.355 2.283 20 5 CEBDRO COC1CC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000352220668 369666889 /nfs/dbraw/zinc/66/68/89/369666889.db2.gz IYHHAPJXZBIZAI-UHFFFAOYSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358529 369688859 /nfs/dbraw/zinc/68/88/59/369688859.db2.gz YJUBUDILNAYZIF-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000352416675 369721632 /nfs/dbraw/zinc/72/16/32/369721632.db2.gz IHZYHUJUHGVAAX-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352525408 369772280 /nfs/dbraw/zinc/77/22/80/369772280.db2.gz GIMGGHLMJGQTKV-HNNXBMFYSA-N 1 0 275.352 2.170 20 5 CEBDRO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352426522 369726996 /nfs/dbraw/zinc/72/69/96/369726996.db2.gz VJKKGBWDWPNPPD-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192131101 369774829 /nfs/dbraw/zinc/77/48/29/369774829.db2.gz RSUBBNGWOYUKOS-MFKMUULPSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192250527 369784988 /nfs/dbraw/zinc/78/49/88/369784988.db2.gz DWPZKCVJPOBGND-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000192774513 369851282 /nfs/dbraw/zinc/85/12/82/369851282.db2.gz ZMUWDVMSDXGXEP-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000352791255 369878972 /nfs/dbraw/zinc/87/89/72/369878972.db2.gz HGFJFLDRWHLFPK-GWCFXTLKSA-N 1 0 282.365 2.315 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000353122651 370026540 /nfs/dbraw/zinc/02/65/40/370026540.db2.gz VQINDJJRVKYDFI-PSASIEDQSA-N 1 0 266.297 2.197 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353154844 370043264 /nfs/dbraw/zinc/04/32/64/370043264.db2.gz PAWQMGFMASURBD-GJZGRUSLSA-N 1 0 294.351 2.187 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])s1 ZINC000193856521 369985836 /nfs/dbraw/zinc/98/58/36/369985836.db2.gz RBYQDKDPXCJCFO-UHFFFAOYSA-N 1 0 258.347 2.195 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000217854401 370201930 /nfs/dbraw/zinc/20/19/30/370201930.db2.gz FSWNCFPNJVYOMJ-CYBMUJFWSA-N 1 0 284.381 2.107 20 5 CEBDRO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000354204352 370259422 /nfs/dbraw/zinc/25/94/22/370259422.db2.gz FMAAGSNUHXTLGS-NWDGAFQWSA-N 1 0 291.351 2.288 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000223239503 370262703 /nfs/dbraw/zinc/26/27/03/370262703.db2.gz HTHMOXCSTHJVJG-UHFFFAOYSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000227116114 370360935 /nfs/dbraw/zinc/36/09/35/370360935.db2.gz CAIDCVAUUIOZOX-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000227920316 370389332 /nfs/dbraw/zinc/38/93/32/370389332.db2.gz VKLPYKOYBNXLGM-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000230183867 370443850 /nfs/dbraw/zinc/44/38/50/370443850.db2.gz YSGCIOOMAADODH-JTQLQIEISA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000230375734 370458557 /nfs/dbraw/zinc/45/85/57/370458557.db2.gz NVEQTQIVRWWBEH-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233295671 370518184 /nfs/dbraw/zinc/51/81/84/370518184.db2.gz LFISWJAEKICBCP-GXTWGEPZSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000234888277 370546955 /nfs/dbraw/zinc/54/69/55/370546955.db2.gz SRHOKAXQALZXMY-HIFRSBDPSA-N 1 0 292.335 2.261 20 5 CEBDRO CC(C)(C)c1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000236744061 370618005 /nfs/dbraw/zinc/61/80/05/370618005.db2.gz HFQQOLNXPGQQPN-UHFFFAOYSA-N 1 0 293.367 2.361 20 5 CEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000235819082 189831313 /nfs/dbraw/zinc/83/13/13/189831313.db2.gz NCDOCMCIYLAPEK-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000359153838 371355783 /nfs/dbraw/zinc/35/57/83/371355783.db2.gz MANNXRRUJOILJC-OLZOCXBDSA-N 1 0 268.288 2.127 20 5 CEBDRO CO[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251508433 371403708 /nfs/dbraw/zinc/40/37/08/371403708.db2.gz BZQLIMIQRMIUQC-IUODEOHRSA-N 1 0 278.352 2.494 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000359219046 371380078 /nfs/dbraw/zinc/38/00/78/371380078.db2.gz HSBHTMVJOWTKEH-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189743 371501766 /nfs/dbraw/zinc/50/17/66/371501766.db2.gz KOAYSSVQIBDGEN-WCQYABFASA-N 1 0 263.341 2.012 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254989838 371546742 /nfs/dbraw/zinc/54/67/42/371546742.db2.gz QDSBEGWZVSQJKT-IQCBXXCUSA-N 1 0 264.325 2.359 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000361045620 371617289 /nfs/dbraw/zinc/61/72/89/371617289.db2.gz YDYIWQZSBVTHIS-WDEREUQCSA-N 1 0 282.340 2.243 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000361047419 371619453 /nfs/dbraw/zinc/61/94/53/371619453.db2.gz XPDNCQIZLCPEDQ-JOYOIKCWSA-N 1 0 293.371 2.014 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261575327 371657578 /nfs/dbraw/zinc/65/75/78/371657578.db2.gz BLURZDQVJOZHID-RISCZKNCSA-N 1 0 263.341 2.327 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000261705907 371707263 /nfs/dbraw/zinc/70/72/63/371707263.db2.gz ILFOTFVGUVMAHW-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708265 371708847 /nfs/dbraw/zinc/70/88/47/371708847.db2.gz JCSMBTAKRXINAS-LBPRGKRZSA-N 1 0 281.331 2.437 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261726041 371712338 /nfs/dbraw/zinc/71/23/38/371712338.db2.gz KSOBUJSIVDNABA-DYEKYZERSA-N 1 0 275.352 2.340 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000261750007 371720524 /nfs/dbraw/zinc/72/05/24/371720524.db2.gz MSZYNYYQMOBASL-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000261688700 371702136 /nfs/dbraw/zinc/70/21/36/371702136.db2.gz NCPJNUPIGXVMNO-UHIISALHSA-N 1 0 291.351 2.020 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000264231568 371988555 /nfs/dbraw/zinc/98/85/55/371988555.db2.gz XZMTXYBZRGYSQG-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344215051 217103619 /nfs/dbraw/zinc/10/36/19/217103619.db2.gz PIYHWDXUYMGAQO-SNVBAGLBSA-N 1 0 266.345 2.196 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000344190929 217090526 /nfs/dbraw/zinc/09/05/26/217090526.db2.gz XXQSTICJXUQCBO-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1cnc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268208328 372090613 /nfs/dbraw/zinc/09/06/13/372090613.db2.gz YXACFJBCEBFOSE-PWSUYJOCSA-N 1 0 276.340 2.193 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701941 372185803 /nfs/dbraw/zinc/18/58/03/372185803.db2.gz BUGSPRSTWAFZPI-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO CN(CCCn1ccnc1)c1cccc(F)c1[N+](=O)[O-] ZINC000269003261 372312333 /nfs/dbraw/zinc/31/23/33/372312333.db2.gz YOHZXLYFGUVYJM-UHFFFAOYSA-N 1 0 278.287 2.457 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099557 372340937 /nfs/dbraw/zinc/34/09/37/372340937.db2.gz TUHPNFTWPGFXLE-MFKMUULPSA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621837 372509273 /nfs/dbraw/zinc/50/92/73/372509273.db2.gz BAMNGDSHPUGZJQ-WDMOLILDSA-N 1 0 264.325 2.216 20 5 CEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621880 372509293 /nfs/dbraw/zinc/50/92/93/372509293.db2.gz BDOUUKOJQLARCM-SUNKGSAMSA-N 1 0 296.392 2.454 20 5 CEBDRO C[C@@H]1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621833 372509495 /nfs/dbraw/zinc/50/94/95/372509495.db2.gz BAMNGDSHPUGZJQ-JTNHKYCSSA-N 1 0 264.325 2.216 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000269631395 372512471 /nfs/dbraw/zinc/51/24/71/372512471.db2.gz FLZSDKWGCHGAJF-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000269714916 372544915 /nfs/dbraw/zinc/54/49/15/372544915.db2.gz RPNFSUZUUQTEII-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO Cn1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000270580878 372852669 /nfs/dbraw/zinc/85/26/69/372852669.db2.gz AFDIEXGKDUTWSJ-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270848103 372981827 /nfs/dbraw/zinc/98/18/27/372981827.db2.gz GEHXVNCOBOACOO-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272257549 373390824 /nfs/dbraw/zinc/39/08/24/373390824.db2.gz ZNPGBOXINSXBHK-SMDDNHRTSA-N 1 0 291.351 2.134 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000371863983 373994757 /nfs/dbraw/zinc/99/47/57/373994757.db2.gz JSBSVNLRJZTGTN-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277252491 374454771 /nfs/dbraw/zinc/45/47/71/374454771.db2.gz VSDHEGCGWLNFTC-SNVBAGLBSA-N 1 0 296.346 2.237 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000377282924 374829975 /nfs/dbraw/zinc/82/99/75/374829975.db2.gz KRBPPGNNEILOFC-GXTWGEPZSA-N 1 0 292.335 2.214 20 5 CEBDRO C[N@H+](CCCCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279684369 374953454 /nfs/dbraw/zinc/95/34/54/374953454.db2.gz GXTJOMQSTYUFNK-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000280142181 375105857 /nfs/dbraw/zinc/10/58/57/375105857.db2.gz PRMYTPHXJYPCKK-CQSZACIVSA-N 1 0 286.335 2.496 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000385648278 375238396 /nfs/dbraw/zinc/23/83/96/375238396.db2.gz DRGUOFOVZRFVHG-NSHDSACASA-N 1 0 293.371 2.016 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000385897441 375247386 /nfs/dbraw/zinc/24/73/86/375247386.db2.gz OCYJJVXNBFTJAM-YPMHNXCESA-N 1 0 264.325 2.106 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283764529 375757635 /nfs/dbraw/zinc/75/76/35/375757635.db2.gz NPFVCMJANXYTGB-LBPRGKRZSA-N 1 0 292.383 2.345 20 5 CEBDRO COCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000283880140 375776932 /nfs/dbraw/zinc/77/69/32/375776932.db2.gz HCKQNYMGWKPJFK-UHFFFAOYSA-N 1 0 256.327 2.315 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414541744 375844293 /nfs/dbraw/zinc/84/42/93/375844293.db2.gz JNVMNRZXHADXPG-XYLWRLHESA-N 1 0 291.351 2.111 20 5 CEBDRO CC(=O)c1cc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000286261847 375891033 /nfs/dbraw/zinc/89/10/33/375891033.db2.gz VWRPJLDZIGCKEC-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000286296990 375902530 /nfs/dbraw/zinc/90/25/30/375902530.db2.gz CJJZIFHTIAYQBE-FHXAZYNBSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000414658617 375904290 /nfs/dbraw/zinc/90/42/90/375904290.db2.gz LLZBFATWKKBDLG-GHMZBOCLSA-N 1 0 292.339 2.152 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585574 375869519 /nfs/dbraw/zinc/86/95/19/375869519.db2.gz UEQFIGANNADLEV-OLZOCXBDSA-N 1 0 294.351 2.244 20 5 CEBDRO CC(C)[C@H]([NH3+])CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414795136 375977653 /nfs/dbraw/zinc/97/76/53/375977653.db2.gz MQLIFDHMICEBNZ-VUDGCMKMSA-N 1 0 263.341 2.181 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261811103 190044540 /nfs/dbraw/zinc/04/45/40/190044540.db2.gz ZQQYNCSUBSLPQI-WCQYABFASA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@H](CO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312670 376186665 /nfs/dbraw/zinc/18/66/65/376186665.db2.gz OBLBBPPQUKHIDH-QMTHXVAHSA-N 1 0 264.325 2.333 20 5 CEBDRO C[NH+](C)C1(CNc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000287437900 376233007 /nfs/dbraw/zinc/23/30/07/376233007.db2.gz VBRCHGOXNIQUCB-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO Nc1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000287969950 376352647 /nfs/dbraw/zinc/35/26/47/376352647.db2.gz ZPYRFWWYXRISQR-UHFFFAOYSA-N 1 0 290.367 2.463 20 5 CEBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000289638029 376428924 /nfs/dbraw/zinc/42/89/24/376428924.db2.gz WKYUNJVJRYQXGA-BETUJISGSA-N 1 0 290.319 2.170 20 5 CEBDRO Cc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000289681338 376443886 /nfs/dbraw/zinc/44/38/86/376443886.db2.gz FASIALKZLQVJMS-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000263713151 190074936 /nfs/dbraw/zinc/07/49/36/190074936.db2.gz NNPXHYXYIUZRDR-SNVBAGLBSA-N 1 0 250.298 2.445 20 5 CEBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000419376923 376447531 /nfs/dbraw/zinc/44/75/31/376447531.db2.gz UKSLYYVVYPQATR-GMTAPVOTSA-N 1 0 291.351 2.170 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305814772 376501025 /nfs/dbraw/zinc/50/10/25/376501025.db2.gz JNUFIUFSZLQICG-OCCSQVGLSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000263802052 190079716 /nfs/dbraw/zinc/07/97/16/190079716.db2.gz KGAWLLSFRVDXFI-NSHDSACASA-N 1 0 252.314 2.418 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264365523 190105240 /nfs/dbraw/zinc/10/52/40/190105240.db2.gz CIJAJMYYUZCJIB-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000312637043 376723424 /nfs/dbraw/zinc/72/34/24/376723424.db2.gz ZGOCESWLGDQKQN-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)cc1 ZINC000312707536 376726833 /nfs/dbraw/zinc/72/68/33/376726833.db2.gz SIQOJKFOYUELMX-KBPBESRZSA-N 1 0 278.352 2.483 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000264479339 190112995 /nfs/dbraw/zinc/11/29/95/190112995.db2.gz ZNDRCLFTWARLEE-FZMZJTMJSA-N 1 0 294.351 2.339 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145449 376764976 /nfs/dbraw/zinc/76/49/76/376764976.db2.gz KEALKHBPXXBKIX-QWHCGFSZSA-N 1 0 293.342 2.450 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000312980493 376735602 /nfs/dbraw/zinc/73/56/02/376735602.db2.gz PRZVRHWMCWSQCB-ZDUSSCGKSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000560618720 376771210 /nfs/dbraw/zinc/77/12/10/376771210.db2.gz GOBSXSBKHALMMV-GFCCVEGCSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290732616 376900466 /nfs/dbraw/zinc/90/04/66/376900466.db2.gz GCNWCOVOOMCKEE-MWLCHTKSSA-N 1 0 276.340 2.214 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422940784 376869402 /nfs/dbraw/zinc/86/94/02/376869402.db2.gz JAKMRHZDZRBLEN-OLZOCXBDSA-N 1 0 263.341 2.344 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291011644 377029896 /nfs/dbraw/zinc/02/98/96/377029896.db2.gz BBYMJZIXEUMIKY-LLVKDONJSA-N 1 0 252.314 2.452 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000562980977 377043170 /nfs/dbraw/zinc/04/31/70/377043170.db2.gz ROICHOGYWHLNPB-ZDUSSCGKSA-N 1 0 290.298 2.315 20 5 CEBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290957301 377003371 /nfs/dbraw/zinc/00/33/71/377003371.db2.gz RFMFSOJDBVKCCZ-AWEZNQCLSA-N 1 0 278.352 2.482 20 5 CEBDRO C[NH2+]CCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423202232 377118324 /nfs/dbraw/zinc/11/83/24/377118324.db2.gz QJBKBPKXSRCJFG-CQSZACIVSA-N 1 0 263.341 2.171 20 5 CEBDRO Cc1ccc([C@@H](C)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423287201 377217157 /nfs/dbraw/zinc/21/71/57/377217157.db2.gz KVRNJOBSTSZCTA-SNVBAGLBSA-N 1 0 251.330 2.291 20 5 CEBDRO CC[C@@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277201 377202324 /nfs/dbraw/zinc/20/23/24/377202324.db2.gz NWXCIPOWGAIPNS-ZIAGYGMSSA-N 1 0 263.341 2.373 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154013 377305452 /nfs/dbraw/zinc/30/54/52/377305452.db2.gz IZXGOXRLXKSJNI-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293167583 377454626 /nfs/dbraw/zinc/45/46/26/377454626.db2.gz VYIOWEFAPDXSFY-RISCZKNCSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973446 377518710 /nfs/dbraw/zinc/51/87/10/377518710.db2.gz BALDTNXRMKXBMR-INIZCTEOSA-N 1 0 289.379 2.479 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000332200515 377539658 /nfs/dbraw/zinc/53/96/58/377539658.db2.gz DESNSXYSQRITRX-GZBFAFLISA-N 1 0 276.336 2.188 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000265424164 190180865 /nfs/dbraw/zinc/18/08/65/190180865.db2.gz KDRXTHXKROQLGC-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000167452419 249322349 /nfs/dbraw/zinc/32/23/49/249322349.db2.gz DMFBPCIGUVELEA-UHFFFAOYSA-N 1 0 263.341 2.041 20 5 CEBDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565213300 377608047 /nfs/dbraw/zinc/60/80/47/377608047.db2.gz AFURWTHVIULMFD-GFCCVEGCSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000314523060 249404120 /nfs/dbraw/zinc/40/41/20/249404120.db2.gz OLHDQCVJRWFDOJ-JLVNDZCYSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313127127 249385763 /nfs/dbraw/zinc/38/57/63/249385763.db2.gz ZHCOMULYNPNRGD-CHWSQXEVSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313192834 249389451 /nfs/dbraw/zinc/38/94/51/249389451.db2.gz OWFNAMVECJSSBW-YPMHNXCESA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293625483 377663750 /nfs/dbraw/zinc/66/37/50/377663750.db2.gz HEZQGTVTMZVEKJ-QWRGUYRKSA-N 1 0 292.383 2.310 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000293638874 377672862 /nfs/dbraw/zinc/67/28/62/377672862.db2.gz JONUNEQJPLNECA-ZDUSSCGKSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000293648097 377676932 /nfs/dbraw/zinc/67/69/32/377676932.db2.gz DXMDYXUGOGAVSC-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432419858 377761229 /nfs/dbraw/zinc/76/12/29/377761229.db2.gz GQUSPZJKACSOAC-IFQILLTASA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)CCOC(C)C)cccc1[N+](=O)[O-] ZINC000567161326 377805921 /nfs/dbraw/zinc/80/59/21/377805921.db2.gz UHVQPRXRQJIOEL-AWEZNQCLSA-N 1 0 296.367 2.169 20 5 CEBDRO Cc1c[nH+]ccc1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567536835 377836919 /nfs/dbraw/zinc/83/69/19/377836919.db2.gz YTPGJYCXVSDKAA-UHFFFAOYSA-N 1 0 273.292 2.211 20 5 CEBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112593 377909763 /nfs/dbraw/zinc/90/97/63/377909763.db2.gz KDDVDQHZQCYFGN-GXSJLCMTSA-N 1 0 267.329 2.253 20 5 CEBDRO Nc1c(F)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000443425276 378052507 /nfs/dbraw/zinc/05/25/07/378052507.db2.gz CXZVBLWPYPIFDA-ZJUUUORDSA-N 1 0 294.330 2.355 20 5 CEBDRO C[C@H](NC(=O)CCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000295230753 378062364 /nfs/dbraw/zinc/06/23/64/378062364.db2.gz BQZSUZRANOWVQJ-JTQLQIEISA-N 1 0 288.307 2.128 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccnc1N ZINC000295343756 378113394 /nfs/dbraw/zinc/11/33/94/378113394.db2.gz QDABFJZKLRMBPO-UHFFFAOYSA-N 1 0 286.335 2.247 20 5 CEBDRO Cc1nc(NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447813176 378141578 /nfs/dbraw/zinc/14/15/78/378141578.db2.gz UZRHJAYOGWSRCP-CYBMUJFWSA-N 1 0 292.383 2.252 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000296043017 378401059 /nfs/dbraw/zinc/40/10/59/378401059.db2.gz UMQBJRUOUZNATJ-GARJFASQSA-N 1 0 250.298 2.077 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450351954 378370623 /nfs/dbraw/zinc/37/06/23/378370623.db2.gz UUSIJDXZJWQOQU-PWSUYJOCSA-N 1 0 293.371 2.002 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296204903 378452723 /nfs/dbraw/zinc/45/27/23/378452723.db2.gz FOCZCXAXQISYFF-RYUDHWBXSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000296240818 378463695 /nfs/dbraw/zinc/46/36/95/378463695.db2.gz FGLHGNMTMGLSRL-NSHDSACASA-N 1 0 264.329 2.073 20 5 CEBDRO C[NH+](C)C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCC1 ZINC000278373713 193947956 /nfs/dbraw/zinc/94/79/56/193947956.db2.gz LFCBNTIKTKNTIQ-UHFFFAOYSA-N 1 0 290.367 2.459 20 5 CEBDRO COC[C@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296562007 378576138 /nfs/dbraw/zinc/57/61/38/378576138.db2.gz CNEWBGVTDZEVMG-OAHLLOKOSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450955875 378659845 /nfs/dbraw/zinc/65/98/45/378659845.db2.gz QVXMFMNUCXVDTN-GFCCVEGCSA-N 1 0 278.356 2.217 20 5 CEBDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278464948 193998788 /nfs/dbraw/zinc/99/87/88/193998788.db2.gz NACRVSPUAQZMSU-QGLTVNCISA-N 1 0 294.351 2.175 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000266187721 190238969 /nfs/dbraw/zinc/23/89/69/190238969.db2.gz FGOYWUGQOCWJNJ-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CN(CC[NH+](C)C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278504655 194016651 /nfs/dbraw/zinc/01/66/51/194016651.db2.gz XRXCOOXLFMMZCX-UHFFFAOYSA-N 1 0 292.261 2.006 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392108 378883465 /nfs/dbraw/zinc/88/34/65/378883465.db2.gz ZDAYECKEQWJACW-IINYFYTJSA-N 1 0 291.351 2.086 20 5 CEBDRO CON1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000453618818 378921599 /nfs/dbraw/zinc/92/15/99/378921599.db2.gz JUOPIDQUHJDZQG-UHFFFAOYSA-N 1 0 285.369 2.114 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278615828 194069875 /nfs/dbraw/zinc/06/98/75/194069875.db2.gz FYUBIFHUIIRHSD-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347428651 218232190 /nfs/dbraw/zinc/23/21/90/218232190.db2.gz LUUWFLMGEWJUFW-UHFFFAOYSA-N 1 0 287.323 2.044 20 5 CEBDRO CCOC1CC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347457265 218242370 /nfs/dbraw/zinc/24/23/70/218242370.db2.gz UEGALSOAUWETFQ-UHFFFAOYSA-N 1 0 294.351 2.473 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347469502 218247948 /nfs/dbraw/zinc/24/79/48/218247948.db2.gz GRKUOILQOFEBNX-JTQLQIEISA-N 1 0 292.339 2.064 20 5 CEBDRO Cc1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301436397 379278991 /nfs/dbraw/zinc/27/89/91/379278991.db2.gz JVYVLVXIWDSONF-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000347629772 218297186 /nfs/dbraw/zinc/29/71/86/218297186.db2.gz LSCBWACLPYGKFJ-UHFFFAOYSA-N 1 0 278.308 2.170 20 5 CEBDRO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000303990185 379507021 /nfs/dbraw/zinc/50/70/21/379507021.db2.gz KZSAEHADLRTSAK-LBPRGKRZSA-N 1 0 282.340 2.065 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000457118460 379677100 /nfs/dbraw/zinc/67/71/00/379677100.db2.gz MZHXJSXHNUPMPA-LBPRGKRZSA-N 1 0 291.351 2.150 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000267132842 190305784 /nfs/dbraw/zinc/30/57/84/190305784.db2.gz WAEPNUSBAHWKPB-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[NH+](C)C ZINC000267916440 190362823 /nfs/dbraw/zinc/36/28/23/190362823.db2.gz BQWBADFQOOZPDH-JTQLQIEISA-N 1 0 294.355 2.283 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c(F)c1 ZINC000489277879 380171335 /nfs/dbraw/zinc/17/13/35/380171335.db2.gz MRESPRHTZGBACK-CQSZACIVSA-N 1 0 280.299 2.081 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000547363441 380434019 /nfs/dbraw/zinc/43/40/19/380434019.db2.gz QEMRXQWBFOPDQS-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000057857750 285095157 /nfs/dbraw/zinc/09/51/57/285095157.db2.gz KXSYKWDYTNTBQZ-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO COCCO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560671 285114273 /nfs/dbraw/zinc/11/42/73/285114273.db2.gz NRSQXRMOXSIISF-OLZOCXBDSA-N 1 0 294.351 2.393 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000061173196 285125629 /nfs/dbraw/zinc/12/56/29/285125629.db2.gz PDPKKGUSHFEBDZ-UHFFFAOYSA-N 1 0 284.319 2.316 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575869965 299575039 /nfs/dbraw/zinc/57/50/39/299575039.db2.gz SRELMNZXFCTSAU-GHMZBOCLSA-N 1 0 293.367 2.114 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000289107754 197235623 /nfs/dbraw/zinc/23/56/23/197235623.db2.gz COSCNXOYCGMGPL-UHFFFAOYSA-N 1 0 276.336 2.416 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)C1CC1 ZINC000353098142 285160254 /nfs/dbraw/zinc/16/02/54/285160254.db2.gz UWEGBOOIFIGZJN-PKXJPQMGSA-N 1 0 276.336 2.216 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204354 220606873 /nfs/dbraw/zinc/60/68/73/220606873.db2.gz FMAAGSNUHXTLGS-VXGBXAGGSA-N 1 0 291.351 2.288 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453634 195246827 /nfs/dbraw/zinc/24/68/27/195246827.db2.gz QSULKTVAPOTZJM-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(CC3CC[NH2+]CC3)n2)c1 ZINC000093679442 184705304 /nfs/dbraw/zinc/70/53/04/184705304.db2.gz MBBFZANKRYTTCI-UHFFFAOYSA-N 1 0 288.307 2.187 20 5 CEBDRO CC[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000094771757 184857565 /nfs/dbraw/zinc/85/75/65/184857565.db2.gz SCPSCPQKWIPQRB-UHFFFAOYSA-N 1 0 289.339 2.367 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395282 135068794 /nfs/dbraw/zinc/06/87/94/135068794.db2.gz OSJKCBHOXUPZQQ-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955339 394453647 /nfs/dbraw/zinc/45/36/47/394453647.db2.gz LIEQKXSWWGGIPI-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000421014365 394464106 /nfs/dbraw/zinc/46/41/06/394464106.db2.gz VVANWOCABLBLBH-CQSZACIVSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235688224 394483577 /nfs/dbraw/zinc/48/35/77/394483577.db2.gz RZPNOGNQHFTKOD-GXFFZTMASA-N 1 0 263.341 2.467 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CC1 ZINC000049238110 394544340 /nfs/dbraw/zinc/54/43/40/394544340.db2.gz MYKXWQXVVZBZAV-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413441598 394553181 /nfs/dbraw/zinc/55/31/81/394553181.db2.gz PXGPITKQGSYOLK-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H](C[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093465643 394667098 /nfs/dbraw/zinc/66/70/98/394667098.db2.gz CGAVULCQWDLOAL-WCQYABFASA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000331100616 394627862 /nfs/dbraw/zinc/62/78/62/394627862.db2.gz DAFSYOYSOBLUSE-GMTAPVOTSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000421892195 394629936 /nfs/dbraw/zinc/62/99/36/394629936.db2.gz NHJYUGJJXWMWCS-SNVBAGLBSA-N 1 0 293.367 2.139 20 5 CEBDRO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000357567367 394701152 /nfs/dbraw/zinc/70/11/52/394701152.db2.gz MZLYKOWBJRVZQK-NSHDSACASA-N 1 0 266.345 2.439 20 5 CEBDRO [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000414842414 394765723 /nfs/dbraw/zinc/76/57/23/394765723.db2.gz MQKBSVJOVBZDTE-UHFFFAOYSA-N 1 0 269.370 2.408 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272135637 394767886 /nfs/dbraw/zinc/76/78/86/394767886.db2.gz AJVSGGRPPITJBT-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272250243 394768638 /nfs/dbraw/zinc/76/86/38/394768638.db2.gz YHGWSJHHMDEPNF-RNCFNFMXSA-N 1 0 297.305 2.403 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414851538 394770617 /nfs/dbraw/zinc/77/06/17/394770617.db2.gz PFDDFQIYANKDJY-LLVKDONJSA-N 1 0 269.320 2.197 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414943967 394815167 /nfs/dbraw/zinc/81/51/67/394815167.db2.gz FZXLZELWRMJHJO-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278865843 394837016 /nfs/dbraw/zinc/83/70/16/394837016.db2.gz YSGNEOVZYSTPBU-BETUJISGSA-N 1 0 298.346 2.141 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414992413 394840741 /nfs/dbraw/zinc/84/07/41/394840741.db2.gz BROLQXPGGXINDJ-JQWIXIFHSA-N 1 0 281.331 2.341 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)cc1 ZINC000415040138 394859850 /nfs/dbraw/zinc/85/98/50/394859850.db2.gz PVLGCLDXPSSXLO-FOLVSLTJSA-N 1 0 299.330 2.162 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000362474268 394862140 /nfs/dbraw/zinc/86/21/40/394862140.db2.gz RBETXJNSGIYIDC-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C[NH3+] ZINC000423372639 394905587 /nfs/dbraw/zinc/90/55/87/394905587.db2.gz RGXXRPOJHYYRQI-WDEREUQCSA-N 1 0 283.397 2.402 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C[NH3+] ZINC000423372637 394905769 /nfs/dbraw/zinc/90/57/69/394905769.db2.gz RGXXRPOJHYYRQI-QWRGUYRKSA-N 1 0 283.397 2.402 20 5 CEBDRO CCC[NH2+]CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423460289 394926642 /nfs/dbraw/zinc/92/66/42/394926642.db2.gz MKNTWGPHAWKZFK-UHFFFAOYSA-N 1 0 293.367 2.249 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415416300 394930102 /nfs/dbraw/zinc/93/01/02/394930102.db2.gz KDNXREPXPIJGCN-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415484854 394936682 /nfs/dbraw/zinc/93/66/82/394936682.db2.gz ORXOEQGWYYNMCF-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000415508241 394938872 /nfs/dbraw/zinc/93/88/72/394938872.db2.gz UZAMJANRUPUWKW-MNOVXSKESA-N 1 0 292.339 2.234 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510803 394939992 /nfs/dbraw/zinc/93/99/92/394939992.db2.gz ZUZLPDOBTRBOFH-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415584756 394945729 /nfs/dbraw/zinc/94/57/29/394945729.db2.gz TUMJNZXYSVHGAZ-UHFFFAOYSA-N 1 0 292.339 2.215 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844644 395001195 /nfs/dbraw/zinc/00/11/95/395001195.db2.gz LWTTWWPXQXGAQJ-SECBINFHSA-N 1 0 299.758 2.253 20 5 CEBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCC1 ZINC000286831873 395029685 /nfs/dbraw/zinc/02/96/85/395029685.db2.gz ZEVRHRMSQQLCAL-UHFFFAOYSA-N 1 0 264.329 2.073 20 5 CEBDRO Cc1cnc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286325663 395019966 /nfs/dbraw/zinc/01/99/66/395019966.db2.gz HOAFFEAPOHTPAU-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000154893214 395025120 /nfs/dbraw/zinc/02/51/20/395025120.db2.gz LLGVMDUTGRNREN-LBPRGKRZSA-N 1 0 290.367 2.443 20 5 CEBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000288341985 395057961 /nfs/dbraw/zinc/05/79/61/395057961.db2.gz IRCUAJDPNJFMFZ-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000343270327 395035153 /nfs/dbraw/zinc/03/51/53/395035153.db2.gz LYAXDLJFEMPCJN-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433793335 395248071 /nfs/dbraw/zinc/24/80/71/395248071.db2.gz RUXQQBOIKVPODB-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399734978 395248119 /nfs/dbraw/zinc/24/81/19/395248119.db2.gz NNMYNTVDZGTPKC-MFKMUULPSA-N 1 0 279.340 2.461 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433791688 395248663 /nfs/dbraw/zinc/24/86/63/395248663.db2.gz JGGAEVQWBKWQON-LBPRGKRZSA-N 1 0 293.371 2.066 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292445780 395195383 /nfs/dbraw/zinc/19/53/83/395195383.db2.gz YRYZAYZIWRCUOG-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000181070152 395209266 /nfs/dbraw/zinc/20/92/66/395209266.db2.gz WQMVWXGKACRPIS-ICCXJUOJSA-N 1 0 250.298 2.159 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473240 395299853 /nfs/dbraw/zinc/29/98/53/395299853.db2.gz ZRFUWGSWFQERLO-GHMZBOCLSA-N 1 0 294.330 2.192 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000296199034 395310854 /nfs/dbraw/zinc/31/08/54/395310854.db2.gz BZOMSWRJEIPHMX-LLVKDONJSA-N 1 0 290.367 2.459 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232856 395357224 /nfs/dbraw/zinc/35/72/24/395357224.db2.gz PPGODWUYKJMQGG-NSHDSACASA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000443864064 395403517 /nfs/dbraw/zinc/40/35/17/395403517.db2.gz SLYUHQDAQBMZBN-BQUOTFMISA-N 1 0 276.336 2.311 20 5 CEBDRO C[NH+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193919876 395418333 /nfs/dbraw/zinc/41/83/33/395418333.db2.gz IPXYQYITBCPFTG-UHFFFAOYSA-N 1 0 293.348 2.101 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000574451737 395630133 /nfs/dbraw/zinc/63/01/33/395630133.db2.gz LCUMHRHGTZVSAV-SECBINFHSA-N 1 0 277.284 2.086 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063193748 400242219 /nfs/dbraw/zinc/24/22/19/400242219.db2.gz OEVDDXXRXSXJRC-GWCFXTLKSA-N 1 0 292.339 2.328 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]21 ZINC000360210203 155244288 /nfs/dbraw/zinc/24/42/88/155244288.db2.gz VNGCOCDJYLPVFI-IJLUTSLNSA-N 1 0 278.356 2.339 20 5 CEBDRO Cc1c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360517591 155319807 /nfs/dbraw/zinc/31/98/07/155319807.db2.gz ZHSIBYLSFHDAID-CQSZACIVSA-N 1 0 293.367 2.106 20 5 CEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000188680704 153067803 /nfs/dbraw/zinc/06/78/03/153067803.db2.gz CJAANYQCHSASAR-UHFFFAOYSA-N 1 0 297.314 2.128 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453770 153321602 /nfs/dbraw/zinc/32/16/02/153321602.db2.gz WPPACHWCCUIGDR-KWQFWETISA-N 1 0 274.267 2.180 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825878 153349336 /nfs/dbraw/zinc/34/93/36/153349336.db2.gz FMOJILSTZHSLPE-STQMWFEESA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000261694204 153811750 /nfs/dbraw/zinc/81/17/50/153811750.db2.gz HUQJFIVZHUEIDV-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261738850 153824313 /nfs/dbraw/zinc/82/43/13/153824313.db2.gz LVRUAAWYKZJXFR-ZWNOBZJWSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000261800444 153844867 /nfs/dbraw/zinc/84/48/67/153844867.db2.gz RGFOUTHFVAMYCP-NEPJUHHUSA-N 1 0 279.315 2.060 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000359790549 155130787 /nfs/dbraw/zinc/13/07/87/155130787.db2.gz CMYBVPINGUQHDV-CQSZACIVSA-N 1 0 296.367 2.489 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375033547 157044070 /nfs/dbraw/zinc/04/40/70/157044070.db2.gz WTLIGFYABIAXLN-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000375328013 157080544 /nfs/dbraw/zinc/08/05/44/157080544.db2.gz SEFWLHFJGBNNFJ-OAHLLOKOSA-N 1 0 292.335 2.229 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000165267237 162343917 /nfs/dbraw/zinc/34/39/17/162343917.db2.gz OPKJXLLZKXBOLX-UHFFFAOYSA-N 1 0 293.367 2.318 20 5 CEBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000301152918 162573523 /nfs/dbraw/zinc/57/35/23/162573523.db2.gz BMPLVDUNIMYVID-VIFPVBQESA-N 1 0 295.368 2.056 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174866611 165119956 /nfs/dbraw/zinc/11/99/56/165119956.db2.gz OIKPOUMMRVKMRB-BZPMIXESSA-N 1 0 278.356 2.444 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C2CCCC2)n1 ZINC000176215177 165158199 /nfs/dbraw/zinc/15/81/99/165158199.db2.gz NZFKJFGRZXJAQH-ZDUSSCGKSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182481614 165373724 /nfs/dbraw/zinc/37/37/24/165373724.db2.gz CBEWBRIBORMOQA-BNOWGMLFSA-N 1 0 278.356 2.302 20 5 CEBDRO COC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564119789 298818908 /nfs/dbraw/zinc/81/89/08/298818908.db2.gz AIDMROVHDABRNQ-SNVBAGLBSA-N 1 0 277.324 2.243 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020373650 171169582 /nfs/dbraw/zinc/16/95/82/171169582.db2.gz MRSYCLOQUCXSTL-BPNCWPANSA-N 1 0 289.335 2.454 20 5 CEBDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285246267 196231458 /nfs/dbraw/zinc/23/14/58/196231458.db2.gz PUYBKDNIAVRVJC-JTQLQIEISA-N 1 0 267.329 2.253 20 5 CEBDRO C[N@H+](CCOCC(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000285267393 196236496 /nfs/dbraw/zinc/23/64/96/196236496.db2.gz IHYPUGFTCHEZBL-UHFFFAOYSA-N 1 0 288.294 2.351 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338438 196254857 /nfs/dbraw/zinc/25/48/57/196254857.db2.gz URMGKHKYQXZCMA-IVZWLZJFSA-N 1 0 267.329 2.251 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000285666124 196359668 /nfs/dbraw/zinc/35/96/68/196359668.db2.gz MKAJKRRNFABDAK-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1c(CN2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531293 175196276 /nfs/dbraw/zinc/19/62/76/175196276.db2.gz QBTZHXJWLYLMFD-LBPRGKRZSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1c(CN2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000044559181 175204361 /nfs/dbraw/zinc/20/43/61/175204361.db2.gz NIAPDDZYCSBOCD-ZDUSSCGKSA-N 1 0 263.341 2.216 20 5 CEBDRO Cc1c(C[NH2+]C2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000053069478 175542488 /nfs/dbraw/zinc/54/24/88/175542488.db2.gz FKGYVTTYHBPZKY-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH2+]1 ZINC000070078160 175871444 /nfs/dbraw/zinc/87/14/44/175871444.db2.gz CSCBGBPHSVSWMV-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccnc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496685 175957438 /nfs/dbraw/zinc/95/74/38/175957438.db2.gz GWFRXUBEYKWMRV-LLVKDONJSA-N 1 0 264.329 2.100 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300831 176113568 /nfs/dbraw/zinc/11/35/68/176113568.db2.gz QXUZLEXESUQWFP-TVQRCGJNSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000077204332 177232455 /nfs/dbraw/zinc/23/24/55/177232455.db2.gz OPYZDTKBHOQJOP-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cnc(NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078658809 177367407 /nfs/dbraw/zinc/36/74/07/177367407.db2.gz QWMQGABPHFYKRV-JTQLQIEISA-N 1 0 264.329 2.193 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832070 292631450 /nfs/dbraw/zinc/63/14/50/292631450.db2.gz LIPQAEOINFMCRE-YPMHNXCESA-N 1 0 282.340 2.297 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000449150711 260258347 /nfs/dbraw/zinc/25/83/47/260258347.db2.gz SQLFLCSFHWLTNC-NSHDSACASA-N 1 0 264.325 2.030 20 5 CEBDRO Cc1cnc(OCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000188322003 270256488 /nfs/dbraw/zinc/25/64/88/270256488.db2.gz DCNBBJVYBNVBRN-UHFFFAOYSA-N 1 0 265.313 2.163 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000398129630 270357344 /nfs/dbraw/zinc/35/73/44/270357344.db2.gz KCQGOHOBVJKWJY-PSASIEDQSA-N 1 0 256.327 2.313 20 5 CEBDRO CCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237138007 270320073 /nfs/dbraw/zinc/32/00/73/270320073.db2.gz ZSDGYJZVERKKPG-GWCFXTLKSA-N 1 0 291.351 2.109 20 5 CEBDRO Cc1c(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399565711 270370852 /nfs/dbraw/zinc/37/08/52/270370852.db2.gz IFZYZMHBBJUGJP-BXUZGUMPSA-N 1 0 293.367 2.139 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000420935398 270572052 /nfs/dbraw/zinc/57/20/52/270572052.db2.gz JYIUPENRBIJNJH-DDTOSNHZSA-N 1 0 264.325 2.406 20 5 CEBDRO CCC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423307526 270893127 /nfs/dbraw/zinc/89/31/27/270893127.db2.gz GXRNGZQWHOIVDK-LLVKDONJSA-N 1 0 251.330 2.245 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423681179 270930421 /nfs/dbraw/zinc/93/04/21/270930421.db2.gz NXPCGCCVXHVBMC-RKDXNWHRSA-N 1 0 297.380 2.172 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217463 271363149 /nfs/dbraw/zinc/36/31/49/271363149.db2.gz HIZOOBCKBOWZLF-NSHDSACASA-N 1 0 280.324 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000430215713 271363462 /nfs/dbraw/zinc/36/34/62/271363462.db2.gz CPXRGFOTDBBBNR-LLVKDONJSA-N 1 0 282.340 2.195 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573169 271392706 /nfs/dbraw/zinc/39/27/06/271392706.db2.gz QADHWBARZKCGQX-QWRGUYRKSA-N 1 0 281.331 2.293 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)c1 ZINC000266466592 274118306 /nfs/dbraw/zinc/11/83/06/274118306.db2.gz ZOOHRRIURMOEEX-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170741352 275035862 /nfs/dbraw/zinc/03/58/62/275035862.db2.gz BGIZFBHQWKUATA-AWEZNQCLSA-N 1 0 293.342 2.404 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000072089524 275036854 /nfs/dbraw/zinc/03/68/54/275036854.db2.gz QGAIZUXMLLIKIJ-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672631 275040280 /nfs/dbraw/zinc/04/02/80/275040280.db2.gz BQOTWVYMBDJZOC-MNOVXSKESA-N 1 0 262.313 2.029 20 5 CEBDRO CC(C)[C@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000297681099 275718432 /nfs/dbraw/zinc/71/84/32/275718432.db2.gz PEFXYRBNMYXVEE-ZDUSSCGKSA-N 1 0 299.758 2.238 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C(C)C ZINC000090520213 276135086 /nfs/dbraw/zinc/13/50/86/276135086.db2.gz XAHJEFNOYDBUGG-GFCCVEGCSA-N 1 0 281.356 2.123 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266209439 276225791 /nfs/dbraw/zinc/22/57/91/276225791.db2.gz MHKUKKRLHINCJR-STQMWFEESA-N 1 0 292.383 2.465 20 5 CEBDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045687059 276277749 /nfs/dbraw/zinc/27/77/49/276277749.db2.gz FSGZKVCRYJOUOR-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628127 277177603 /nfs/dbraw/zinc/17/76/03/277177603.db2.gz MRUUXRLFSBWQPV-SWLSCSKDSA-N 1 0 275.352 2.121 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375050741 277179079 /nfs/dbraw/zinc/17/90/79/277179079.db2.gz SKHCZFRBIVHJFD-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO CC(C)([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000346832347 277306376 /nfs/dbraw/zinc/30/63/76/277306376.db2.gz ZJWZJVQHRQEJTP-UHFFFAOYSA-N 1 0 263.341 2.297 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860260 277778501 /nfs/dbraw/zinc/77/85/01/277778501.db2.gz XVAZGBIMWSAMSG-FZMZJTMJSA-N 1 0 280.324 2.051 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678232 278379082 /nfs/dbraw/zinc/37/90/82/278379082.db2.gz JJUMJNBSGFGRLW-VXGBXAGGSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866968 278391910 /nfs/dbraw/zinc/39/19/10/278391910.db2.gz SZENQXQVTKEJJC-QMTHXVAHSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000235336503 278638409 /nfs/dbraw/zinc/63/84/09/278638409.db2.gz UDJSFLSGEIDLIX-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189314289 279032744 /nfs/dbraw/zinc/03/27/44/279032744.db2.gz QAHFCOZSGOEMBF-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280399 279376416 /nfs/dbraw/zinc/37/64/16/279376416.db2.gz XGLVGDKKHRWUMV-JTBRIISXSA-N 1 0 296.392 2.329 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000262848344 280050004 /nfs/dbraw/zinc/05/00/04/280050004.db2.gz YYKYOXHTFSLKBQ-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321040 280060469 /nfs/dbraw/zinc/06/04/69/280060469.db2.gz ZLDUMZZZAXAEEV-NWDGAFQWSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235315568 280333396 /nfs/dbraw/zinc/33/33/96/280333396.db2.gz SOHPFHAXTKYKEQ-ZWNOBZJWSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000261596148 280529323 /nfs/dbraw/zinc/52/93/23/280529323.db2.gz CAAZWQMBYFYMFE-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1cc(NC(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000422576016 280924023 /nfs/dbraw/zinc/92/40/23/280924023.db2.gz QBJRQXNJCWBKSM-UHFFFAOYSA-N 1 0 280.328 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070176732 281016538 /nfs/dbraw/zinc/01/65/38/281016538.db2.gz UCGPQAWYNZFYGE-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000352767523 281022639 /nfs/dbraw/zinc/02/26/39/281022639.db2.gz BYZVZOKSTTWMOL-SUNKGSAMSA-N 1 0 264.325 2.277 20 5 CEBDRO C[C@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423528525 281062395 /nfs/dbraw/zinc/06/23/95/281062395.db2.gz OLZKFYQBWUBUMJ-NSHDSACASA-N 1 0 263.341 2.388 20 5 CEBDRO CCn1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433184071 281374671 /nfs/dbraw/zinc/37/46/71/281374671.db2.gz WTPXXCBFACOKQB-UHFFFAOYSA-N 1 0 287.319 2.066 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805632 290036264 /nfs/dbraw/zinc/03/62/64/290036264.db2.gz JQIXTIVECOKMID-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000459775902 290236131 /nfs/dbraw/zinc/23/61/31/290236131.db2.gz MZJQIAICYONFCY-KGLIPLIRSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1cnc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487065042 290330023 /nfs/dbraw/zinc/33/00/23/290330023.db2.gz QCQCHUFIKBTYQB-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156800546 294070135 /nfs/dbraw/zinc/07/01/35/294070135.db2.gz RJLUHDSYDJBSFL-LDYMZIIASA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1c(NC(=O)C2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000165545097 297463341 /nfs/dbraw/zinc/46/33/41/297463341.db2.gz GXYQZWWHIPIJSS-UHFFFAOYSA-N 1 0 277.324 2.361 20 5 CEBDRO COC(C)(C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000531575353 298111560 /nfs/dbraw/zinc/11/15/60/298111560.db2.gz UXGULHYWDVOJLZ-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CO1 ZINC000563122969 298739631 /nfs/dbraw/zinc/73/96/31/298739631.db2.gz BAPONVDEJJFACN-YVECIDJPSA-N 1 0 294.355 2.042 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(CCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000564075592 298815803 /nfs/dbraw/zinc/81/58/03/298815803.db2.gz HGTMEJMCRYAGHT-AWEZNQCLSA-N 1 0 286.335 2.370 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512619 298910270 /nfs/dbraw/zinc/91/02/70/298910270.db2.gz BCTSYEQMDGZFFD-AUSHCKSDSA-N 1 0 270.354 2.012 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[C@@H]1CCOC1)C2 ZINC000527116951 313168320 /nfs/dbraw/zinc/16/83/20/313168320.db2.gz NDRHTHBXIXNBBL-GFCCVEGCSA-N 1 0 276.336 2.380 20 5 CEBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000533298905 313366764 /nfs/dbraw/zinc/36/67/64/313366764.db2.gz PVACLESWPWMNES-UHFFFAOYSA-N 1 0 291.351 2.432 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820707 313751885 /nfs/dbraw/zinc/75/18/85/313751885.db2.gz KTVJFJHLXLJADP-RISCZKNCSA-N 1 0 294.351 2.223 20 5 CEBDRO [NH3+]CCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564979896 313787498 /nfs/dbraw/zinc/78/74/98/313787498.db2.gz XNNNSVXCWJXRJI-UHFFFAOYSA-N 1 0 264.329 2.019 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000567472405 313896059 /nfs/dbraw/zinc/89/60/59/313896059.db2.gz UMJRKDMXADCRKW-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C(F)F ZINC000577443810 314377143 /nfs/dbraw/zinc/37/71/43/314377143.db2.gz LUWLUCHIKGISAW-LDYMZIIASA-N 1 0 274.267 2.180 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385396921 321859946 /nfs/dbraw/zinc/85/99/46/321859946.db2.gz UVGWJYLBHFJTAZ-RNCFNFMXSA-N 1 0 281.743 2.042 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCC1CC1 ZINC000580316227 322310200 /nfs/dbraw/zinc/31/02/00/322310200.db2.gz UOKICBRECLCLTK-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732951 335876976 /nfs/dbraw/zinc/87/69/76/335876976.db2.gz CPLVDNSJLHQLLZ-CYBMUJFWSA-N 1 0 291.351 2.086 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000157360856 534055150 /nfs/dbraw/zinc/05/51/50/534055150.db2.gz MJCDDDOMRDRPFZ-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153451917 534423480 /nfs/dbraw/zinc/42/34/80/534423480.db2.gz SYDLLADKLMMXBQ-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000155947990 519807927 /nfs/dbraw/zinc/80/79/27/519807927.db2.gz QABMNIDMLBTPHS-CYBMUJFWSA-N 1 0 280.328 2.090 20 5 CEBDRO CCOCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443471 519967557 /nfs/dbraw/zinc/96/75/57/519967557.db2.gz WRZCFQKOAWJKIH-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1C ZINC000052812179 520692446 /nfs/dbraw/zinc/69/24/46/520692446.db2.gz SDHYXLMEEDNMDU-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000069091998 521510839 /nfs/dbraw/zinc/51/08/39/521510839.db2.gz GOGPSJHLUDVAHJ-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO COC[C@@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726543 522203579 /nfs/dbraw/zinc/20/35/79/522203579.db2.gz HHLWVAOWOYJCTK-NSHDSACASA-N 1 0 252.314 2.009 20 5 CEBDRO C[C@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000049553544 524165855 /nfs/dbraw/zinc/16/58/55/524165855.db2.gz KGENBLOKVHKIJG-LLVKDONJSA-N 1 0 251.330 2.025 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068340802 526872375 /nfs/dbraw/zinc/87/23/75/526872375.db2.gz AFAXUYXZVQGHRJ-JTQLQIEISA-N 1 0 297.380 2.131 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000736286207 574780995 /nfs/dbraw/zinc/78/09/95/574780995.db2.gz HAZRRIARQOPJDT-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000746392068 575155443 /nfs/dbraw/zinc/15/54/43/575155443.db2.gz RRLKOPLLBOVHFI-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CO[C@H](C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083627 575246103 /nfs/dbraw/zinc/24/61/03/575246103.db2.gz WLJXAMWAYSVECN-IUODEOHRSA-N 1 0 296.367 2.374 20 5 CEBDRO C[C@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097439857 622664274 /nfs/dbraw/zinc/66/42/74/622664274.db2.gz NHWDJAHLLDVEIC-SECBINFHSA-N 1 0 272.732 2.356 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096478433 623461535 /nfs/dbraw/zinc/46/15/35/623461535.db2.gz WMHZMRRMTIHYOD-GFCCVEGCSA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194236 624308950 /nfs/dbraw/zinc/30/89/50/624308950.db2.gz BBEBIYISAFRADS-CABZTGNLSA-N 1 0 293.348 2.436 20 5 CEBDRO Cc1c(C[NH2+][C@@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000161781257 624959649 /nfs/dbraw/zinc/95/96/49/624959649.db2.gz HDFHLJLYURAQTC-ZDUSSCGKSA-N 1 0 250.298 2.172 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[NH2+]C1 ZINC000236187395 625907936 /nfs/dbraw/zinc/90/79/36/625907936.db2.gz OPXYRFRMIAZVNM-LURJTMIESA-N 1 0 259.668 2.161 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000820634600 634482720 /nfs/dbraw/zinc/48/27/20/634482720.db2.gz TXPBVLRKQCYWKT-LBPRGKRZSA-N 1 0 291.351 2.176 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000892824009 627793834 /nfs/dbraw/zinc/79/38/34/627793834.db2.gz PPDWVTZHFMJBTB-QWRGUYRKSA-N 1 0 294.355 2.283 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926890897 627946605 /nfs/dbraw/zinc/94/66/05/627946605.db2.gz GRZLVHHUEAUTQW-ZLDLUXBVSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312478552 628275303 /nfs/dbraw/zinc/27/53/03/628275303.db2.gz NIHBAKMZKFAQKS-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000893329183 628335894 /nfs/dbraw/zinc/33/58/94/628335894.db2.gz BTWPJRBTJZDQMG-UHFFFAOYSA-N 1 0 254.286 2.197 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776592013 628500277 /nfs/dbraw/zinc/50/02/77/628500277.db2.gz OIWANGSANVJIAP-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902466500 634684162 /nfs/dbraw/zinc/68/41/62/634684162.db2.gz KKMZFHHYLRLZMT-QEGRKFQGSA-N 1 0 261.325 2.138 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261568321 628940341 /nfs/dbraw/zinc/94/03/41/628940341.db2.gz JZCXYXDVANZGIW-CYBMUJFWSA-N 1 0 263.341 2.073 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893869456 629031986 /nfs/dbraw/zinc/03/19/86/629031986.db2.gz AFTLLEHSBQJLEG-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000894119910 629141941 /nfs/dbraw/zinc/14/19/41/629141941.db2.gz LZNYAMHESYRPHB-VIFPVBQESA-N 1 0 298.364 2.152 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000791053845 629244615 /nfs/dbraw/zinc/24/46/15/629244615.db2.gz HZXJYMPFSPWQMZ-OCCSQVGLSA-N 1 0 264.325 2.021 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924954242 629291409 /nfs/dbraw/zinc/29/14/09/629291409.db2.gz IEBWVQCMXYIUDK-QWRGUYRKSA-N 1 0 294.351 2.364 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000794949764 629369474 /nfs/dbraw/zinc/36/94/74/629369474.db2.gz SIGZAXJWILIRJM-IINYFYTJSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000261985081 629409829 /nfs/dbraw/zinc/40/98/29/629409829.db2.gz RUJXDXJXVMLOGO-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCC(C)(F)F)c1[N+](=O)[O-] ZINC000894659150 629583224 /nfs/dbraw/zinc/58/32/24/629583224.db2.gz PBUFBXGRTKLSAE-UHFFFAOYSA-N 1 0 290.266 2.444 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH3+] ZINC000262049691 629602999 /nfs/dbraw/zinc/60/29/99/629602999.db2.gz QCWMVNUHOFHFRC-PRHODGIISA-N 1 0 269.732 2.027 20 5 CEBDRO Cc1cnc(N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000894848990 629688436 /nfs/dbraw/zinc/68/84/36/629688436.db2.gz OQYIATGNDBNUKT-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894879293 629713262 /nfs/dbraw/zinc/71/32/62/629713262.db2.gz RZOHPAIVCRQYER-BETUJISGSA-N 1 0 298.346 2.426 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000895328981 630114199 /nfs/dbraw/zinc/11/41/99/630114199.db2.gz ILWVZINQMFAZHS-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CC[NH+](C)C)C2)n1 ZINC000895331696 630119778 /nfs/dbraw/zinc/11/97/78/630119778.db2.gz VPDDMGFFXKNXGA-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]1[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895736868 630326751 /nfs/dbraw/zinc/32/67/51/630326751.db2.gz LZDXKHSYPDHLSI-GXFFZTMASA-N 1 0 286.335 2.069 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCn2nncc2C1 ZINC000895757078 630332441 /nfs/dbraw/zinc/33/24/41/630332441.db2.gz PNIBMWYOFZDZTD-UTCJRWHESA-N 1 0 299.334 2.105 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000896000695 630432062 /nfs/dbraw/zinc/43/20/62/630432062.db2.gz YCQVDPMXHNIDAA-SNVBAGLBSA-N 1 0 298.314 2.491 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896515576 630586725 /nfs/dbraw/zinc/58/67/25/630586725.db2.gz FTTJXSKFTZVXKX-ZDUSSCGKSA-N 1 0 291.351 2.260 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200589 630997400 /nfs/dbraw/zinc/99/74/00/630997400.db2.gz LTRVFOLVUMAMFU-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897464067 631531619 /nfs/dbraw/zinc/53/16/19/631531619.db2.gz KBPYRRLUZGKJKC-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465765 631531930 /nfs/dbraw/zinc/53/19/30/631531930.db2.gz HWDYOXGLYZLXJJ-WZRBSPASSA-N 1 0 264.325 2.465 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897527956 631656610 /nfs/dbraw/zinc/65/66/10/631656610.db2.gz UVWHKGPPCCQKJY-UHFFFAOYSA-N 1 0 290.363 2.422 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804392586 631676583 /nfs/dbraw/zinc/67/65/83/631676583.db2.gz CAMARVPSQQROJZ-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804521183 631698188 /nfs/dbraw/zinc/69/81/88/631698188.db2.gz LHZRJDMLXPASNA-SNVBAGLBSA-N 1 0 294.311 2.399 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000925305349 631759648 /nfs/dbraw/zinc/75/96/48/631759648.db2.gz BWXJHDFOMRBWEA-ZYHUDNBSSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000840116679 631871801 /nfs/dbraw/zinc/87/18/01/631871801.db2.gz QGUSSJGQDVHAOD-OSFYFWSMSA-N 1 0 288.351 2.201 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[NH+](C)C ZINC000807938786 631890301 /nfs/dbraw/zinc/89/03/01/631890301.db2.gz IARZYUJMDFVOPF-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000808226624 631938570 /nfs/dbraw/zinc/93/85/70/631938570.db2.gz GQBIJMOBNKFCHM-CYBMUJFWSA-N 1 0 278.356 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CC(CCO)C1 ZINC000898008842 632000452 /nfs/dbraw/zinc/00/04/52/632000452.db2.gz XAPBHWPENOWOHS-UHFFFAOYSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898202285 632083645 /nfs/dbraw/zinc/08/36/45/632083645.db2.gz GVHBKWDCQIZYEF-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO CCON1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000323106018 632283376 /nfs/dbraw/zinc/28/33/76/632283376.db2.gz FHEKCCJSQQFPKY-UHFFFAOYSA-N 1 0 279.340 2.100 20 5 CEBDRO Cc1c(C[NH2+][C@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000040777401 632352837 /nfs/dbraw/zinc/35/28/37/632352837.db2.gz BCFQBEJVZGVBRO-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H](NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000899271352 632768009 /nfs/dbraw/zinc/76/80/09/632768009.db2.gz VXWBPWXIGAXVON-SNVBAGLBSA-N 1 0 276.340 2.050 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000899875963 633067841 /nfs/dbraw/zinc/06/78/41/633067841.db2.gz LHTIYVDNZHJPIE-UONOGXRCSA-N 1 0 264.325 2.021 20 5 CEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000899872801 633070678 /nfs/dbraw/zinc/07/06/78/633070678.db2.gz FLDZANHBFUXDNS-UHFFFAOYSA-N 1 0 256.733 2.484 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000899994384 633158158 /nfs/dbraw/zinc/15/81/58/633158158.db2.gz ZBZXGJFAXRBAPK-MWLCHTKSSA-N 1 0 288.307 2.043 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCC2)c1C ZINC000900010808 633176262 /nfs/dbraw/zinc/17/62/62/633176262.db2.gz DTLSSOPNUAGNQF-UHFFFAOYSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817131551 633590551 /nfs/dbraw/zinc/59/05/51/633590551.db2.gz DESVPTDGYVKZSM-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957302 633799597 /nfs/dbraw/zinc/79/95/97/633799597.db2.gz AIHXIFRODRRZKI-CMPLNLGQSA-N 1 0 280.372 2.201 20 5 CEBDRO [NH3+]CCCCCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000818619915 633963929 /nfs/dbraw/zinc/96/39/29/633963929.db2.gz OCDJDVXDHOFGIJ-UHFFFAOYSA-N 1 0 287.747 2.319 20 5 CEBDRO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818954145 634014978 /nfs/dbraw/zinc/01/49/78/634014978.db2.gz SQBLLQLHAQUGCN-XHDPSFHLSA-N 1 0 290.319 2.442 20 5 CEBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819137635 634080534 /nfs/dbraw/zinc/08/05/34/634080534.db2.gz GEYULKRHHRHVSX-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1ccnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819332733 634144441 /nfs/dbraw/zinc/14/44/41/634144441.db2.gz CAEHDFAYSIVZSR-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000901515711 634171590 /nfs/dbraw/zinc/17/15/90/634171590.db2.gz AHFYKTWZGPGNEV-CYBMUJFWSA-N 1 0 277.324 2.406 20 5 CEBDRO Cc1ccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000819953295 634298076 /nfs/dbraw/zinc/29/80/76/634298076.db2.gz NSRANLXNZCWSBA-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](CC)CC ZINC000820002741 634310485 /nfs/dbraw/zinc/31/04/85/634310485.db2.gz XNXUGKKEHTUMDA-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903097545 634977587 /nfs/dbraw/zinc/97/75/87/634977587.db2.gz TWBBGBACEOGGBS-GXFFZTMASA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903158875 634993097 /nfs/dbraw/zinc/99/30/97/634993097.db2.gz WCNXCFSXALTJGU-MJVIPROJSA-N 1 0 294.351 2.415 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822854515 635012319 /nfs/dbraw/zinc/01/23/19/635012319.db2.gz OIGWHPXXEOXXSH-CYBMUJFWSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000903261447 635033860 /nfs/dbraw/zinc/03/38/60/635033860.db2.gz WOUUNUSSFJBJRC-XSRFYTQQSA-N 1 0 291.351 2.208 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903298987 635046163 /nfs/dbraw/zinc/04/61/63/635046163.db2.gz BIPLLKXDCJJJAH-UXIGCNINSA-N 1 0 294.351 2.358 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903410762 635105588 /nfs/dbraw/zinc/10/55/88/635105588.db2.gz JEUFICAEKUCBKD-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841078089 635260610 /nfs/dbraw/zinc/26/06/10/635260610.db2.gz FSSMCQANHHUVSD-YUMQZZPRSA-N 1 0 257.721 2.074 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903797934 635276242 /nfs/dbraw/zinc/27/62/42/635276242.db2.gz LLQSIILYPSHEIK-IUODEOHRSA-N 1 0 293.342 2.437 20 5 CEBDRO CC(C)([NH3+])CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000903938825 635363932 /nfs/dbraw/zinc/36/39/32/635363932.db2.gz MCDJAPJDIPGGMO-UHFFFAOYSA-N 1 0 271.748 2.465 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000825255753 635600407 /nfs/dbraw/zinc/60/04/07/635600407.db2.gz OGEZNEJALHWHNT-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@]34C[C@H]3CCCN4)n2)s1 ZINC000904689289 635700006 /nfs/dbraw/zinc/70/00/06/635700006.db2.gz JDPLAGFSGKKNMT-KRTXAFLBSA-N 1 0 292.320 2.305 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000904920223 635761630 /nfs/dbraw/zinc/76/16/30/635761630.db2.gz PFKDMNCFWRENRB-AWEZNQCLSA-N 1 0 277.324 2.001 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000904920224 635761650 /nfs/dbraw/zinc/76/16/50/635761650.db2.gz PFKDMNCFWRENRB-CQSZACIVSA-N 1 0 277.324 2.001 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000905244058 636169355 /nfs/dbraw/zinc/16/93/55/636169355.db2.gz ULFPPHRUHZFLEE-YPMHNXCESA-N 1 0 252.289 2.328 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1COc1ccc([N+](=O)[O-])c(F)c1F ZINC000905732751 636422455 /nfs/dbraw/zinc/42/24/55/636422455.db2.gz AYRPGZBBQLOQDU-SFYZADRCSA-N 1 0 272.251 2.107 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000905732814 636422650 /nfs/dbraw/zinc/42/26/50/636422650.db2.gz DJWCLTDTSMYBGY-YPMHNXCESA-N 1 0 286.335 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000876530682 650307137 /nfs/dbraw/zinc/30/71/37/650307137.db2.gz PODVFUYBNXZQSY-PHIMTYICSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000876545602 650316079 /nfs/dbraw/zinc/31/60/79/650316079.db2.gz PESJRWHZCDIDBX-ZYHUDNBSSA-N 1 0 277.324 2.215 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832188277 637515304 /nfs/dbraw/zinc/51/53/04/637515304.db2.gz WJJNAFDNDALUEO-GFCCVEGCSA-N 1 0 287.404 2.059 20 5 CEBDRO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000876587580 650347413 /nfs/dbraw/zinc/34/74/13/650347413.db2.gz KHNYNSDPLXWIEB-BIMULSAOSA-N 1 0 291.351 2.145 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000209669386 638544653 /nfs/dbraw/zinc/54/46/53/638544653.db2.gz KHHOSJHPPXLLPM-NXEZZACHSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1ccc(CN(C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000912861362 639041720 /nfs/dbraw/zinc/04/17/20/639041720.db2.gz WVWYHLBMHUAKNG-UHFFFAOYSA-N 1 0 260.297 2.189 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000166147542 639450083 /nfs/dbraw/zinc/45/00/83/639450083.db2.gz PHHLJZMMPOLXAI-SNVBAGLBSA-N 1 0 280.259 2.440 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168616221 639573888 /nfs/dbraw/zinc/57/38/88/639573888.db2.gz NTCKWZGFBOAYET-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO C[C@H](O)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227721319 639602506 /nfs/dbraw/zinc/60/25/06/639602506.db2.gz FSIPUUPEYSFICU-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO CCC[NH2+]CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841046852 639632331 /nfs/dbraw/zinc/63/23/31/639632331.db2.gz PLXGXKWVNFZVTB-UHFFFAOYSA-N 1 0 271.748 2.337 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064078 639639819 /nfs/dbraw/zinc/63/98/19/639639819.db2.gz PABNSEHPPHFDPX-RNCFNFMXSA-N 1 0 283.759 2.336 20 5 CEBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(F)F ZINC000841074159 639645001 /nfs/dbraw/zinc/64/50/01/639645001.db2.gz MNWRHNFELFKADK-SECBINFHSA-N 1 0 293.701 2.320 20 5 CEBDRO CC[C@@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505235 639862990 /nfs/dbraw/zinc/86/29/90/639862990.db2.gz RAMKQTGNJCAWBD-LLVKDONJSA-N 1 0 284.385 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474691 640074199 /nfs/dbraw/zinc/07/41/99/640074199.db2.gz CAZFNBXTLRJJLY-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842587321 640110261 /nfs/dbraw/zinc/11/02/61/640110261.db2.gz ZEDYMJBEUCMPOZ-SECBINFHSA-N 1 0 270.333 2.103 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843052800 640255750 /nfs/dbraw/zinc/25/57/50/640255750.db2.gz WJSGRPMMUODONZ-NOZJJQNGSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1c(Cc2noc(CC(C)(C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843192743 640344383 /nfs/dbraw/zinc/34/43/83/640344383.db2.gz YJHSWFRRYJVBCV-UHFFFAOYSA-N 1 0 290.323 2.157 20 5 CEBDRO C[C@](C[NH3+])(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000843356299 640401086 /nfs/dbraw/zinc/40/10/86/640401086.db2.gz TWKJPBFUETVVTF-CYBMUJFWSA-N 1 0 283.759 2.465 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cs1 ZINC000914433936 640404781 /nfs/dbraw/zinc/40/47/81/640404781.db2.gz YGDTYFYXZDYBPK-MNOVXSKESA-N 1 0 268.338 2.171 20 5 CEBDRO CC(C)[C@@H](C)[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000915208466 640529400 /nfs/dbraw/zinc/52/94/00/640529400.db2.gz NJWFUKSDWMKWBV-SNVBAGLBSA-N 1 0 293.323 2.437 20 5 CEBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403215 640709373 /nfs/dbraw/zinc/70/93/73/640709373.db2.gz DUJQIRNKVHHNBW-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403214 640709835 /nfs/dbraw/zinc/70/98/35/640709835.db2.gz DUJQIRNKVHHNBW-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844469765 640740576 /nfs/dbraw/zinc/74/05/76/640740576.db2.gz DZTLNDDMDYUGBM-CHWSQXEVSA-N 1 0 298.289 2.359 20 5 CEBDRO Cc1c(C[NH2+]CCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000917133843 640856102 /nfs/dbraw/zinc/85/61/02/640856102.db2.gz AEUJCBLUWBUZDR-UHFFFAOYSA-N 1 0 291.351 2.005 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877185851 650615155 /nfs/dbraw/zinc/61/51/55/650615155.db2.gz WAUHPXNHZSKFTD-CHWSQXEVSA-N 1 0 278.352 2.414 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527065 642034957 /nfs/dbraw/zinc/03/49/57/642034957.db2.gz QQMLXWBUIICWPR-CYBMUJFWSA-N 1 0 291.351 2.040 20 5 CEBDRO [NH3+]C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848714615 642109410 /nfs/dbraw/zinc/10/94/10/642109410.db2.gz ROAWAATYDNDBIH-SECBINFHSA-N 1 0 297.664 2.227 20 5 CEBDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021956 642235489 /nfs/dbraw/zinc/23/54/89/642235489.db2.gz NREHKKWYPROSQK-SECBINFHSA-N 1 0 264.329 2.316 20 5 CEBDRO CCC(O)(CC)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877470731 650736993 /nfs/dbraw/zinc/73/69/93/650736993.db2.gz IYHYELRKTMIRJQ-UHFFFAOYSA-N 1 0 296.371 2.026 20 5 CEBDRO CN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440087 642323211 /nfs/dbraw/zinc/32/32/11/642323211.db2.gz OBGPTNXOUJDPEV-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO CCC[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)OC ZINC000877521771 650765100 /nfs/dbraw/zinc/76/51/00/650765100.db2.gz CZKPOZCAOXIMAR-CQSZACIVSA-N 1 0 281.356 2.175 20 5 CEBDRO C[C@@H]([NH2+]CC1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551424 642750132 /nfs/dbraw/zinc/75/01/32/642750132.db2.gz ICZHPXZAHPTBGP-XSRFYTQQSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(CO)CC1 ZINC000080247344 642951005 /nfs/dbraw/zinc/95/10/05/642951005.db2.gz HGPJYFMNDUYZPK-UHFFFAOYSA-N 1 0 270.716 2.110 20 5 CEBDRO CO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)C ZINC000877593244 650805155 /nfs/dbraw/zinc/80/51/55/650805155.db2.gz QTXPLDQVXVGWPT-YIZWMMSDSA-N 1 0 296.371 2.146 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899166 643215386 /nfs/dbraw/zinc/21/53/86/643215386.db2.gz YSICFBZSHPIUPP-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO Cc1c(C[NH2+]CC2CC3(C2)OCCO3)cccc1[N+](=O)[O-] ZINC000922802599 643271066 /nfs/dbraw/zinc/27/10/66/643271066.db2.gz NSDZPDKUFRHKFY-UHFFFAOYSA-N 1 0 292.335 2.146 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3CCSC3)C2)c1 ZINC000877661454 650838829 /nfs/dbraw/zinc/83/88/29/650838829.db2.gz AJXRWENFOQNDEE-VOMCLLRMSA-N 1 0 296.396 2.228 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939270 643461902 /nfs/dbraw/zinc/46/19/02/643461902.db2.gz NFMYQYXVXBVQAO-LYKUJDHUSA-N 1 0 292.335 2.003 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000852917477 643598017 /nfs/dbraw/zinc/59/80/17/643598017.db2.gz MEJVXWISARHTOW-BMWLXYDHSA-N 1 0 291.351 2.098 20 5 CEBDRO CN(CCC[NH2+]C1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000923376640 643686256 /nfs/dbraw/zinc/68/62/56/643686256.db2.gz MNPHAIPOHZJQLE-UHFFFAOYSA-N 1 0 277.368 2.211 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000853231875 643717321 /nfs/dbraw/zinc/71/73/21/643717321.db2.gz NUCSBBGPZYUPRQ-LLVKDONJSA-N 1 0 289.335 2.446 20 5 CEBDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000877707387 650863691 /nfs/dbraw/zinc/86/36/91/650863691.db2.gz RRTSJTODYZDWMW-OAHLLOKOSA-N 1 0 292.335 2.416 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855162997 644261571 /nfs/dbraw/zinc/26/15/71/644261571.db2.gz QVQJAQDDRONFKN-LBPRGKRZSA-N 1 0 299.415 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(CC3CC3)C2)cc1 ZINC000857212862 644849778 /nfs/dbraw/zinc/84/97/78/644849778.db2.gz ZEXORXSPPNVNNP-OAHLLOKOSA-N 1 0 276.336 2.360 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000757910663 644855706 /nfs/dbraw/zinc/85/57/06/644855706.db2.gz PDZTWUBVGLGDIR-OLZOCXBDSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1nc(N2CCC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000760455247 645159199 /nfs/dbraw/zinc/15/91/99/645159199.db2.gz HCJGSMNWSQBAEN-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860066697 645689071 /nfs/dbraw/zinc/68/90/71/645689071.db2.gz WMOIEVCJMFGWAW-CQSZACIVSA-N 1 0 296.367 2.111 20 5 CEBDRO Cc1sc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000773198724 646715342 /nfs/dbraw/zinc/71/53/42/646715342.db2.gz OPWFRMSIAOXLSE-SECBINFHSA-N 1 0 297.380 2.179 20 5 CEBDRO [NH3+][C@@H]1CC=C(c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000863671194 646787077 /nfs/dbraw/zinc/78/70/77/646787077.db2.gz XQYZVBNMUZCWOL-SSDOTTSWSA-N 1 0 278.293 2.211 20 5 CEBDRO Cc1c(-c2noc(C3=CC[C@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000863678417 646789263 /nfs/dbraw/zinc/78/92/63/646789263.db2.gz USLFYBQQWLJGDL-JTQLQIEISA-N 1 0 286.291 2.458 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000774537475 646859658 /nfs/dbraw/zinc/85/96/58/646859658.db2.gz UBIGBLZTJAEWFE-ZIAGYGMSSA-N 1 0 295.408 2.385 20 5 CEBDRO C[N@@H+](Cc1ccoc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280077 647045249 /nfs/dbraw/zinc/04/52/49/647045249.db2.gz ZJNOIADTPCDHKL-AWEZNQCLSA-N 1 0 276.292 2.353 20 5 CEBDRO CC1=CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594192 647076451 /nfs/dbraw/zinc/07/64/51/647076451.db2.gz YGWKSJNYFRNHRL-AWEZNQCLSA-N 1 0 262.309 2.280 20 5 CEBDRO CCn1cncc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787931 647464472 /nfs/dbraw/zinc/46/44/72/647464472.db2.gz WAHSDPIRXCXOOL-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO Cc1c(C[NH2+][C@](C)(CO)C2CC2)cccc1[N+](=O)[O-] ZINC000782177311 647595679 /nfs/dbraw/zinc/59/56/79/647595679.db2.gz VLCYFTAOBFTLQC-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO C[N@@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CCC1(C)C ZINC000866113080 647614816 /nfs/dbraw/zinc/61/48/16/647614816.db2.gz SMBVGYWKGLPXBI-UHFFFAOYSA-N 1 0 278.356 2.098 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866113046 647615287 /nfs/dbraw/zinc/61/52/87/647615287.db2.gz QCIMIZNQBXHEPA-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO O=C(CC[N@H+]1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782530759 647634547 /nfs/dbraw/zinc/63/45/47/647634547.db2.gz IQQYSEGKINVNKJ-UHFFFAOYSA-N 1 0 293.298 2.324 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205560 647668120 /nfs/dbraw/zinc/66/81/20/647668120.db2.gz FSIGKISUFATMMS-QWHCGFSZSA-N 1 0 275.352 2.434 20 5 CEBDRO COc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204807 647668710 /nfs/dbraw/zinc/66/87/10/647668710.db2.gz GGXUGSWIJXIDMA-DGCLKSJQSA-N 1 0 291.351 2.134 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866206281 647669576 /nfs/dbraw/zinc/66/95/76/647669576.db2.gz RIQNDFPJDDSJQG-SKDRFNHKSA-N 1 0 296.758 2.174 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866207982 647671796 /nfs/dbraw/zinc/67/17/96/647671796.db2.gz ZGIRSHHXURPKJB-CHWSQXEVSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866210202 647674408 /nfs/dbraw/zinc/67/44/08/647674408.db2.gz ZHWCBMTVTCQFSZ-ZYHUDNBSSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000866288967 647718112 /nfs/dbraw/zinc/71/81/12/647718112.db2.gz BZALAAJKPFRKIP-NSHDSACASA-N 1 0 292.314 2.151 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000866338741 647742427 /nfs/dbraw/zinc/74/24/27/647742427.db2.gz WWDMXSWFPHFGRW-NSHDSACASA-N 1 0 296.342 2.417 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000866350786 647750367 /nfs/dbraw/zinc/75/03/67/647750367.db2.gz CBNZGMGSELABIL-LLVKDONJSA-N 1 0 284.331 2.417 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866446289 647790711 /nfs/dbraw/zinc/79/07/11/647790711.db2.gz DXSXBWYMOIYIRI-COMAGPEQSA-N 1 0 279.340 2.394 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000784034763 647790817 /nfs/dbraw/zinc/79/08/17/647790817.db2.gz NAWULBKNSFWLLR-LLVKDONJSA-N 1 0 266.345 2.425 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866682304 647867694 /nfs/dbraw/zinc/86/76/94/647867694.db2.gz HXCDWHBDLPSQMY-PSASIEDQSA-N 1 0 269.732 2.170 20 5 CEBDRO CC(C)CCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945057 647997178 /nfs/dbraw/zinc/99/71/78/647997178.db2.gz PDRGISHWNUNEGE-HNNXBMFYSA-N 1 0 293.367 2.321 20 5 CEBDRO C[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000867983517 648010088 /nfs/dbraw/zinc/01/00/88/648010088.db2.gz POPJVQKRNPYESK-BMIGLBTASA-N 1 0 293.367 2.320 20 5 CEBDRO C[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000786927097 648056552 /nfs/dbraw/zinc/05/65/52/648056552.db2.gz NPDBXGBSELYVEQ-MRVPVSSYSA-N 1 0 292.257 2.474 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000791754572 648563509 /nfs/dbraw/zinc/56/35/09/648563509.db2.gz NEBAGXFJKWVNCM-UHFFFAOYSA-N 1 0 291.307 2.185 20 5 CEBDRO CC[N@H+](CC1CCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000794682290 648902966 /nfs/dbraw/zinc/90/29/66/648902966.db2.gz HHJIHRZAKSZHCW-UHFFFAOYSA-N 1 0 252.318 2.179 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869099 648938424 /nfs/dbraw/zinc/93/84/24/648938424.db2.gz AJBKWJOXOMSKCQ-GMXVVIOVSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H]([NH2+]CC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034376 649248691 /nfs/dbraw/zinc/24/86/91/649248691.db2.gz HSKZEWIMDPTXKU-SECBINFHSA-N 1 0 268.288 2.300 20 5 CEBDRO C[C@H]([NH2+]CCN1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052523 649255517 /nfs/dbraw/zinc/25/55/17/649255517.db2.gz OEQACXUOELYSDR-JTQLQIEISA-N 1 0 267.304 2.090 20 5 CEBDRO C[C@@H](NCC1([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080844 649266874 /nfs/dbraw/zinc/26/68/74/649266874.db2.gz SSBRPJUAGALJFP-SNVBAGLBSA-N 1 0 281.331 2.479 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000872142523 649292220 /nfs/dbraw/zinc/29/22/20/649292220.db2.gz ZQLDAODHAHSDCQ-RBSFLKMASA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000872232137 649323167 /nfs/dbraw/zinc/32/31/67/649323167.db2.gz ZEQWOIUFDJJZTK-AWEZNQCLSA-N 1 0 296.367 2.169 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000872712617 649465061 /nfs/dbraw/zinc/46/50/61/649465061.db2.gz UZBOQMWNEIXFNQ-BETUJISGSA-N 1 0 276.340 2.264 20 5 CEBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872778426 649485661 /nfs/dbraw/zinc/48/56/61/649485661.db2.gz AJNZNIOFXDWXBC-QWHCGFSZSA-N 1 0 291.351 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C(F)(F)F ZINC000873020674 649533848 /nfs/dbraw/zinc/53/38/48/649533848.db2.gz ZVNVGURUTAGAEM-NSHDSACASA-N 1 0 292.257 2.224 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)O ZINC000873048722 649543127 /nfs/dbraw/zinc/54/31/27/649543127.db2.gz JTNFPSDMQSSLAP-UHFFFAOYSA-N 1 0 252.314 2.072 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cccc1[N+](=O)[O-] ZINC000873149306 649570652 /nfs/dbraw/zinc/57/06/52/649570652.db2.gz BVNHXFNJEIASCW-RDUHTLEXSA-N 1 0 288.347 2.416 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@@H]2CCOC2=O)cccc1[N+](=O)[O-] ZINC000873159220 649575086 /nfs/dbraw/zinc/57/50/86/649575086.db2.gz GHSUPJVRRIJAMJ-GFCCVEGCSA-N 1 0 292.335 2.336 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000873163392 649576767 /nfs/dbraw/zinc/57/67/67/649576767.db2.gz QPEUDINFYUJBOX-NSHDSACASA-N 1 0 278.308 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000873217315 649593925 /nfs/dbraw/zinc/59/39/25/649593925.db2.gz ZJYOONPHEBGYPI-PHIMTYICSA-N 1 0 281.743 2.184 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230167 649601077 /nfs/dbraw/zinc/60/10/77/649601077.db2.gz NBCIVWMFEXMMAM-ZOESHWHXSA-N 1 0 287.363 2.482 20 5 CEBDRO CO[C@H]1CC[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879322824 651285413 /nfs/dbraw/zinc/28/54/13/651285413.db2.gz YGUVLTDNSAZECC-DOMZBBRYSA-N 1 0 294.351 2.473 20 5 CEBDRO CC1(F)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879382913 651295271 /nfs/dbraw/zinc/29/52/71/651295271.db2.gz ULEDYKVUWTYNGR-CYBMUJFWSA-N 1 0 282.315 2.452 20 5 CEBDRO O=C(CC[NH+]1CCC(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000880240080 651407203 /nfs/dbraw/zinc/40/72/03/651407203.db2.gz YWKQFUZMIPGZPQ-UHFFFAOYSA-N 1 0 295.314 2.357 20 5 CEBDRO Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880435440 651440546 /nfs/dbraw/zinc/44/05/46/651440546.db2.gz OMGQEZAEWGQTNP-DGCLKSJQSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1cccc(C(=O)NCC2(C)CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000129037728 651734685 /nfs/dbraw/zinc/73/46/85/651734685.db2.gz JIJHWBJUNJFFBJ-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1c1cc[nH+]cc1 ZINC000882820236 652228397 /nfs/dbraw/zinc/22/83/97/652228397.db2.gz JGQXOZMIULVLMA-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000882960935 652292246 /nfs/dbraw/zinc/29/22/46/652292246.db2.gz ZTPOFYMBRYWCLG-NSHDSACASA-N 1 0 287.323 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1C ZINC000884030033 652641082 /nfs/dbraw/zinc/64/10/82/652641082.db2.gz DHUKJGDZBXVTKT-PHIMTYICSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000800123285 652656289 /nfs/dbraw/zinc/65/62/89/652656289.db2.gz ITAJLMGPPNLGDL-UHFFFAOYSA-N 1 0 295.339 2.066 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000800165034 652669023 /nfs/dbraw/zinc/66/90/23/652669023.db2.gz DWNCKOROBKKNDW-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265475918 721885618 /nfs/dbraw/zinc/88/56/18/721885618.db2.gz AZKNULYCKFRDPP-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO COc1cccc(O[C@@H](C)C[N+](C)(C)C)c1C(C)=O ZINC001226651510 805674799 /nfs/dbraw/zinc/67/47/99/805674799.db2.gz HBQYFUPWDGABFN-NSHDSACASA-N 1 0 266.361 2.371 20 5 CEBDRO COc1ccc(OC[C@@H](C)OCC[N+](C)(C)C)cc1 ZINC001224773235 806949955 /nfs/dbraw/zinc/94/99/55/806949955.db2.gz GOMSMMWETMOIHH-CYBMUJFWSA-N 1 0 268.377 2.185 20 5 CEBDRO CC(C)Oc1cncc(COCC[N+](C)(C)C)c1 ZINC001224773856 806950532 /nfs/dbraw/zinc/95/05/32/806950532.db2.gz MXCXTUSYKTYIIF-UHFFFAOYSA-N 1 0 253.366 2.092 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001167272889 802620120 /nfs/dbraw/zinc/62/01/20/802620120.db2.gz GRXKFKVKRVAWPC-VIFPVBQESA-N 1 0 290.298 2.398 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001167278161 802623757 /nfs/dbraw/zinc/62/37/57/802623757.db2.gz ABBBKXJNUPZMLL-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135037668 802734074 /nfs/dbraw/zinc/73/40/74/802734074.db2.gz MVWGFLMQQWOQRQ-LLVKDONJSA-N 1 0 272.732 2.499 20 5 CEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cccc1C[NH3+] ZINC001167592749 803173671 /nfs/dbraw/zinc/17/36/71/803173671.db2.gz CJKMEMGJNBZOJG-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC001117747583 814942792 /nfs/dbraw/zinc/94/27/92/814942792.db2.gz QBXQMXULNZRTQJ-NEPJUHHUSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173522184 803736118 /nfs/dbraw/zinc/73/61/18/803736118.db2.gz GEKHDQBRNQJXMU-SNVBAGLBSA-N 1 0 260.297 2.386 20 5 CEBDRO C[NH+]1CC(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000709858507 804652673 /nfs/dbraw/zinc/65/26/73/804652673.db2.gz XOCUIPPTCOXUCF-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO COc1cc(O[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001225435555 804879859 /nfs/dbraw/zinc/87/98/59/804879859.db2.gz IIJPYTHZXLSZGM-NSHDSACASA-N 1 0 266.297 2.076 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC1 ZINC001173234163 815633612 /nfs/dbraw/zinc/63/36/12/815633612.db2.gz OCKDGVRJZBPVFW-LLVKDONJSA-N 1 0 264.325 2.030 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792848 807845654 /nfs/dbraw/zinc/84/56/54/807845654.db2.gz WSJYURYHHMQNBA-GZMMTYOYSA-N 1 0 270.716 2.373 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1Nc1nccnc1C[NH3+] ZINC001171450087 815163506 /nfs/dbraw/zinc/16/35/06/815163506.db2.gz ZMLAGVYIXORTOO-UHFFFAOYSA-N 1 0 277.259 2.035 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001168601533 808698168 /nfs/dbraw/zinc/69/81/68/808698168.db2.gz SYBFPDNOJZRPKG-QWRGUYRKSA-N 1 0 282.319 2.414 20 5 CEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700602267 809331266 /nfs/dbraw/zinc/33/12/66/809331266.db2.gz HTJJXFMZJLWBRC-WCBMZHEXSA-N 1 0 297.742 2.105 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700615011 809332526 /nfs/dbraw/zinc/33/25/26/809332526.db2.gz SPMKZQBIAAPFEQ-GHMZBOCLSA-N 1 0 297.742 2.104 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000700626560 809333233 /nfs/dbraw/zinc/33/32/33/809333233.db2.gz ZPJHDAVRVMWWGV-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC000701043226 809383169 /nfs/dbraw/zinc/38/31/69/809383169.db2.gz PRQSXUNHMVQHMZ-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000702054258 809491119 /nfs/dbraw/zinc/49/11/19/809491119.db2.gz SOWBMFCAAWODON-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000702065723 809491415 /nfs/dbraw/zinc/49/14/15/809491415.db2.gz XCLFBAJVXRCHSS-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(C)COC1 ZINC000702980155 809606376 /nfs/dbraw/zinc/60/63/76/809606376.db2.gz JDKQWNNYWYRCGT-UHFFFAOYSA-N 1 0 268.288 2.202 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000704555757 809737695 /nfs/dbraw/zinc/73/76/95/809737695.db2.gz DBMOWXGREAXKPQ-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000705989702 809796255 /nfs/dbraw/zinc/79/62/55/809796255.db2.gz FPKXIVOCFDZATI-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000706505489 809827502 /nfs/dbraw/zinc/82/75/02/809827502.db2.gz NLVOSDPNFDKJEW-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707492589 809913565 /nfs/dbraw/zinc/91/35/65/809913565.db2.gz KSDYEDVHXWOOKU-DKTWLAJQSA-N 1 0 270.716 2.109 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000708384027 809927978 /nfs/dbraw/zinc/92/79/78/809927978.db2.gz AJKHUVHECARVFE-ZDUSSCGKSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC000709841586 809973160 /nfs/dbraw/zinc/97/31/60/809973160.db2.gz RTLJGQCDUCASCL-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000710833902 809995709 /nfs/dbraw/zinc/99/57/09/809995709.db2.gz NQFWLJCTRHBUBL-UHFFFAOYSA-N 1 0 279.340 2.186 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001163776588 810191588 /nfs/dbraw/zinc/19/15/88/810191588.db2.gz FDPIRMAMTWGUDV-SECBINFHSA-N 1 0 262.313 2.438 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)O[C@@H](C)C2 ZINC001229976465 810521791 /nfs/dbraw/zinc/52/17/91/810521791.db2.gz RCNRFMRDTBDMBN-RYUDHWBXSA-N 1 0 278.372 2.262 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712275311 810534720 /nfs/dbraw/zinc/53/47/20/810534720.db2.gz WNGPWWGDDZTOTD-LJWDBELGSA-N 1 0 296.754 2.451 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001122166357 815389321 /nfs/dbraw/zinc/38/93/21/815389321.db2.gz IXXIJUOETAWRNS-RAIGVLPGSA-N 1 0 291.351 2.290 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712334645 811193981 /nfs/dbraw/zinc/19/39/81/811193981.db2.gz VRRPNFVDWARBOE-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001122586414 815428390 /nfs/dbraw/zinc/42/83/90/815428390.db2.gz JEQNMDVDLJPCPZ-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCc2ccccn2)C1 ZINC001168977431 811306098 /nfs/dbraw/zinc/30/60/98/811306098.db2.gz JSGOSEVQUYTOFF-HIFRSBDPSA-N 1 0 277.368 2.439 20 5 CEBDRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168977740 811306431 /nfs/dbraw/zinc/30/64/31/811306431.db2.gz LNXRVDRWPKYPJT-HUUCEWRRSA-N 1 0 277.368 2.358 20 5 CEBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977163 811306499 /nfs/dbraw/zinc/30/64/99/811306499.db2.gz IMVZTQZZXLEVDL-AGIUHOORSA-N 1 0 272.389 2.351 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC001168978417 811306945 /nfs/dbraw/zinc/30/69/45/811306945.db2.gz RXMDLICUQDRKKH-KGYLQXTDSA-N 1 0 261.325 2.104 20 5 CEBDRO Cc1cccc(C(=[NH2+])N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168982927 811309819 /nfs/dbraw/zinc/30/98/19/811309819.db2.gz JGBXEUPLHWFPLC-AAEUAGOBSA-N 1 0 261.325 2.355 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C1 ZINC001168984349 811311218 /nfs/dbraw/zinc/31/12/18/811311218.db2.gz MGCOLAHAECHGDD-GDLCADMTSA-N 1 0 298.770 2.408 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001168965848 811317892 /nfs/dbraw/zinc/31/78/92/811317892.db2.gz CREYOAAZPCBLSG-HOSYDEDBSA-N 1 0 267.304 2.317 20 5 CEBDRO COc1cccc(OCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168968525 811320130 /nfs/dbraw/zinc/32/01/30/811320130.db2.gz ZVLGULOJZTYLAU-QWHCGFSZSA-N 1 0 294.351 2.109 20 5 CEBDRO Cn1cc2cccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2n1 ZINC001168975665 811322799 /nfs/dbraw/zinc/32/27/99/811322799.db2.gz WQXWDLYNOVFRRY-SMDDNHRTSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC001168992424 811324995 /nfs/dbraw/zinc/32/49/95/811324995.db2.gz JVBNCUVIOPMFDK-LRDDRELGSA-N 1 0 274.364 2.436 20 5 CEBDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168997553 811326795 /nfs/dbraw/zinc/32/67/95/811326795.db2.gz DHUMMSMFJZFZSI-NEPJUHHUSA-N 1 0 279.340 2.015 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(CC3CCC3)cn2)C1 ZINC001168998496 811327042 /nfs/dbraw/zinc/32/70/42/811327042.db2.gz NREMURIXVJDRTL-KGLIPLIRSA-N 1 0 292.383 2.218 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001169001044 811328715 /nfs/dbraw/zinc/32/87/15/811328715.db2.gz CNCVNFQCXZRCBK-GVXVVHGQSA-N 1 0 279.340 2.186 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(O)cc3C2)C1 ZINC001168986884 811336492 /nfs/dbraw/zinc/33/64/92/811336492.db2.gz FWOCLKLPPJEXBA-BYCMXARLSA-N 1 0 290.363 2.285 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2COCc3ccccc32)C1 ZINC001168987776 811337284 /nfs/dbraw/zinc/33/72/84/811337284.db2.gz KGHAACGLZUHFHJ-KYOSRNDESA-N 1 0 276.336 2.293 20 5 CEBDRO [NH3+]Cc1cccc2ncn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168988233 811337724 /nfs/dbraw/zinc/33/77/24/811337724.db2.gz PJYPHJPYMKVKOA-JQWIXIFHSA-N 1 0 274.324 2.113 20 5 CEBDRO COCCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169027507 811338669 /nfs/dbraw/zinc/33/86/69/811338669.db2.gz QRCQAFHDJMJXPK-KBPBESRZSA-N 1 0 270.373 2.180 20 5 CEBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168990691 811339447 /nfs/dbraw/zinc/33/94/47/811339447.db2.gz DJCASJYWAZSOJK-OSAQELSMSA-N 1 0 275.352 2.412 20 5 CEBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001168989398 811340295 /nfs/dbraw/zinc/34/02/95/811340295.db2.gz LUYRYCFWMBKAQE-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037001 811347098 /nfs/dbraw/zinc/34/70/98/811347098.db2.gz HWAJQVUCTQSSOM-NXEZZACHSA-N 1 0 292.351 2.258 20 5 CEBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038027 811347782 /nfs/dbraw/zinc/34/77/82/811347782.db2.gz VCZKVJNOIGCKTG-WUHRBBMRSA-N 1 0 266.341 2.018 20 5 CEBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040246 811348531 /nfs/dbraw/zinc/34/85/31/811348531.db2.gz ZBNZQSNKEUSMJF-MCIONIFRSA-N 1 0 298.383 2.097 20 5 CEBDRO C[NH2+]Cc1cccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169040375 811350672 /nfs/dbraw/zinc/35/06/72/811350672.db2.gz ZLYNKNXPCBXQJZ-JSGCOSHPSA-N 1 0 263.341 2.263 20 5 CEBDRO C[NH2+]Cc1cccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169040374 811350687 /nfs/dbraw/zinc/35/06/87/811350687.db2.gz ZLYNKNXPCBXQJZ-GXTWGEPZSA-N 1 0 263.341 2.263 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001169045741 811355398 /nfs/dbraw/zinc/35/53/98/811355398.db2.gz JVPCJRGSGLZMDY-DYEKYZERSA-N 1 0 292.383 2.344 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C1 ZINC001169050639 811356622 /nfs/dbraw/zinc/35/66/22/811356622.db2.gz CBYXWAUOBAADDG-JHJVBQTASA-N 1 0 276.340 2.059 20 5 CEBDRO COc1cc(-n2ccc([C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1C ZINC001169232751 811448525 /nfs/dbraw/zinc/44/85/25/811448525.db2.gz KAYNFRJXHZAKPU-VIFPVBQESA-N 1 0 276.296 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169797108 811663930 /nfs/dbraw/zinc/66/39/30/811663930.db2.gz YNZYXJQUQCURHQ-UHFFFAOYSA-N 1 0 276.340 2.196 20 5 CEBDRO Cc1c(C)c(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC001157043312 811988615 /nfs/dbraw/zinc/98/86/15/811988615.db2.gz LTQRIFSSPBTMRC-UHFFFAOYSA-N 1 0 296.396 2.067 20 5 CEBDRO C[NH+]1CC(CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001170254489 812374305 /nfs/dbraw/zinc/37/43/05/812374305.db2.gz NDMYFEFRSYEFMW-UHFFFAOYSA-N 1 0 260.297 2.050 20 5 CEBDRO COc1ccc(C[C@@H](C)n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001170307514 812390815 /nfs/dbraw/zinc/39/08/15/812390815.db2.gz GUAICIHTNNVYSG-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336193 812390979 /nfs/dbraw/zinc/39/09/79/812390979.db2.gz VQXRJHQXKLOGGX-SMDDNHRTSA-N 1 0 294.351 2.255 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOCC1 ZINC001254550423 812479782 /nfs/dbraw/zinc/47/97/82/812479782.db2.gz JPHFQIKRBYLJJB-LBPRGKRZSA-N 1 0 264.325 2.248 20 5 CEBDRO CN(CC[NH3+])CCNc1ncnc2cc3ccccc3cc21 ZINC001170497773 812574204 /nfs/dbraw/zinc/57/42/04/812574204.db2.gz DMAHAKILFGUDRN-UHFFFAOYSA-N 1 0 295.390 2.085 20 5 CEBDRO CN(CC[NH3+])CCNc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170505052 812587541 /nfs/dbraw/zinc/58/75/41/812587541.db2.gz JNWNIQNNHBBNMC-UHFFFAOYSA-N 1 0 288.351 2.050 20 5 CEBDRO O=C1CC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899243 815539209 /nfs/dbraw/zinc/53/92/09/815539209.db2.gz MWSQWKSHGCAEGU-LBPRGKRZSA-N 1 0 274.320 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCO1)CC2 ZINC001172899196 815539979 /nfs/dbraw/zinc/53/99/79/815539979.db2.gz LYOUIJONHBFQGQ-HIFRSBDPSA-N 1 0 276.336 2.221 20 5 CEBDRO C[C@@]1(O)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172905350 815541071 /nfs/dbraw/zinc/54/10/71/815541071.db2.gz RMHDMSMFKRNQOK-GOEBONIOSA-N 1 0 290.363 2.299 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000754080066 814117416 /nfs/dbraw/zinc/11/74/16/814117416.db2.gz PWLISXLDVOYNPF-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@H]1CCCC[NH2+]1 ZINC001171333031 814584087 /nfs/dbraw/zinc/58/40/87/814584087.db2.gz CEXLANJEOBHRTO-LLVKDONJSA-N 1 0 279.340 2.466 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC2CCC2)cs1 ZINC000690693980 814587681 /nfs/dbraw/zinc/58/76/81/814587681.db2.gz PWRZRSRUGYKCRG-UHFFFAOYSA-N 1 0 256.327 2.315 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712605240 814756133 /nfs/dbraw/zinc/75/61/33/814756133.db2.gz LNEAQWZTLGCTKV-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712616849 814758270 /nfs/dbraw/zinc/75/82/70/814758270.db2.gz RUYADVIASBHQDN-SNVBAGLBSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]CCC12CCC2 ZINC000713261093 814847647 /nfs/dbraw/zinc/84/76/47/814847647.db2.gz FRKWJXSQAKYPIY-UHFFFAOYSA-N 1 0 275.352 2.313 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](CC(C)C)[NH+](C)C ZINC001117280330 814913648 /nfs/dbraw/zinc/91/36/48/814913648.db2.gz YIMMUYMUBOFQEU-LBPRGKRZSA-N 1 0 280.372 2.108 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(C)OCCO1 ZINC001173215102 815623633 /nfs/dbraw/zinc/62/36/33/815623633.db2.gz SDODVVHEEPKLNZ-GFCCVEGCSA-N 1 0 294.351 2.269 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc[nH]c1=O ZINC001173218534 815624654 /nfs/dbraw/zinc/62/46/54/815624654.db2.gz KLCNVDPJIWYHGV-NSHDSACASA-N 1 0 287.319 2.416 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](O)C1 ZINC001173222018 815625908 /nfs/dbraw/zinc/62/59/08/815625908.db2.gz OLFLOCKTERYNFU-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCOC1 ZINC001173227086 815631004 /nfs/dbraw/zinc/63/10/04/815631004.db2.gz NWACVQUHGFCEAU-FZMZJTMJSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(C)COC1 ZINC001173227203 815631498 /nfs/dbraw/zinc/63/14/98/815631498.db2.gz OJEOJCWQFVYTSA-LBPRGKRZSA-N 1 0 278.352 2.494 20 5 CEBDRO Cc1nc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173211918 815635083 /nfs/dbraw/zinc/63/50/83/815635083.db2.gz VKKBRALTIFWUOA-SNVBAGLBSA-N 1 0 290.323 2.050 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208721 815635256 /nfs/dbraw/zinc/63/52/56/815635256.db2.gz AXXZDCZFCWLGPI-SMDDNHRTSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CN2CCC1CC2 ZINC001173212102 815635831 /nfs/dbraw/zinc/63/58/31/815635831.db2.gz WUGQVEADPYHNIF-WBMJQRKESA-N 1 0 289.379 2.210 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccn1 ZINC001173213603 815637142 /nfs/dbraw/zinc/63/71/42/815637142.db2.gz JCWLDQPAIMRKPQ-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000401494225 815898614 /nfs/dbraw/zinc/89/86/14/815898614.db2.gz TXAKZUICVSNFMC-NSHDSACASA-N 1 0 268.288 2.345 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCOCC1 ZINC001177337586 816549310 /nfs/dbraw/zinc/54/93/10/816549310.db2.gz IUWNVHICBPMSGW-UHFFFAOYSA-N 1 0 280.324 2.262 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC001178267778 816720971 /nfs/dbraw/zinc/72/09/71/816720971.db2.gz OIFUQDCIZWRBEX-CYBMUJFWSA-N 1 0 286.335 2.273 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000449060580 282084502 /nfs/dbraw/zinc/08/45/02/282084502.db2.gz DGCBARJSJRMFHU-LMWSTFAQSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000449063172 282085690 /nfs/dbraw/zinc/08/56/90/282085690.db2.gz LMHLHBHGZMSKLM-DGCLKSJQSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ccnc1 ZINC000449075951 282090421 /nfs/dbraw/zinc/09/04/21/282090421.db2.gz OGMPXTRVDAROAK-OLZOCXBDSA-N 1 0 288.351 2.401 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601290754 346814031 /nfs/dbraw/zinc/81/40/31/346814031.db2.gz BYXIIAONZWWIBR-SCDSUCTJSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)N(C)C ZINC000449088418 282095630 /nfs/dbraw/zinc/09/56/30/282095630.db2.gz IENCGVRCLISDOV-LRDDRELGSA-N 1 0 291.395 2.456 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000035121767 361816985 /nfs/dbraw/zinc/81/69/85/361816985.db2.gz FQWDLPKPJMPLFM-LLVKDONJSA-N 1 0 283.376 2.251 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174409 282131192 /nfs/dbraw/zinc/13/11/92/282131192.db2.gz HJZALLXHFYCVFW-DGCLKSJQSA-N 1 0 266.341 2.132 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601328852 346822176 /nfs/dbraw/zinc/82/21/76/346822176.db2.gz ATYSIOZTPUZXBB-TXEJJXNPSA-N 1 0 281.743 2.184 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794138 361858232 /nfs/dbraw/zinc/85/82/32/361858232.db2.gz HXZLPIRWDGSRRD-GXFFZTMASA-N 1 0 279.340 2.112 20 5 CEBDRO COC(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000037566655 361905080 /nfs/dbraw/zinc/90/50/80/361905080.db2.gz FZXTZAAOVFGHGL-JTQLQIEISA-N 1 0 268.313 2.173 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655338 361919781 /nfs/dbraw/zinc/91/97/81/361919781.db2.gz CFSPGFGBNONKEZ-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766567 361932382 /nfs/dbraw/zinc/93/23/82/361932382.db2.gz JALXYDDMDIHGNN-IINYFYTJSA-N 1 0 279.340 2.290 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766562 361932960 /nfs/dbraw/zinc/93/29/60/361932960.db2.gz IBZFGDZHDUGURI-GWCFXTLKSA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775659 361935835 /nfs/dbraw/zinc/93/58/35/361935835.db2.gz QNUHSDKVTBFYDH-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000040776467 361998442 /nfs/dbraw/zinc/99/84/42/361998442.db2.gz GPSPFQBCKRZRAT-JTQLQIEISA-N 1 0 258.343 2.153 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449322636 282187819 /nfs/dbraw/zinc/18/78/19/282187819.db2.gz YKXGQQULQBIFHO-OCCSQVGLSA-N 1 0 280.368 2.380 20 5 CEBDRO CCn1cc[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414297484 529586939 /nfs/dbraw/zinc/58/69/39/529586939.db2.gz IHBKAWBLSOJCQO-UHFFFAOYSA-N 1 0 276.296 2.432 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000041119370 362020307 /nfs/dbraw/zinc/02/03/07/362020307.db2.gz GMWYRGQIGRAYPN-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000041119436 362020452 /nfs/dbraw/zinc/02/04/52/362020452.db2.gz UWVIUMPRQAGJPY-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294988275 199287132 /nfs/dbraw/zinc/28/71/32/199287132.db2.gz HKOFYRQPPSCSED-GIPNMCIBSA-N 1 0 280.324 2.259 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CF)CCOCC2)c1 ZINC000449484280 282254217 /nfs/dbraw/zinc/25/42/17/282254217.db2.gz FXIAFFWLLUPPNR-UHFFFAOYSA-N 1 0 282.315 2.451 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000031825833 343410706 /nfs/dbraw/zinc/41/07/06/343410706.db2.gz YPOIHVMEZFDEII-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](CO)C1 ZINC000033394672 343417674 /nfs/dbraw/zinc/41/76/74/343417674.db2.gz VYUHYWOLTOTBRN-LLPBQKLSSA-N 1 0 276.336 2.312 20 5 CEBDRO COC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051155386 343548665 /nfs/dbraw/zinc/54/86/65/343548665.db2.gz GQWRFTNLAYRCHL-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973367 346947026 /nfs/dbraw/zinc/94/70/26/346947026.db2.gz LQXYMBWESGTSFV-WCFLWFBJSA-N 1 0 262.309 2.234 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057159547 343625919 /nfs/dbraw/zinc/62/59/19/343625919.db2.gz HDHNEZMMXIUYFO-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)[N@H+](CCC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349969 343688785 /nfs/dbraw/zinc/68/87/85/343688785.db2.gz OLDAENSRKBHYBQ-UHFFFAOYSA-N 1 0 293.367 2.284 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000068911115 343777131 /nfs/dbraw/zinc/77/71/31/343777131.db2.gz IOHMGXYYLLYORM-LBPRGKRZSA-N 1 0 297.330 2.257 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602032480 346964970 /nfs/dbraw/zinc/96/49/70/346964970.db2.gz XKBMYLQYRHHJEZ-LBPRGKRZSA-N 1 0 291.351 2.492 20 5 CEBDRO O=[N+]([O-])c1cccnc1NCCC[NH+]1CCCCC1 ZINC000072751772 343809863 /nfs/dbraw/zinc/80/98/63/343809863.db2.gz VQQQLRFXPVTBSW-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174737 346988493 /nfs/dbraw/zinc/98/84/93/346988493.db2.gz TYAMHWHLGXEUQR-OLZOCXBDSA-N 1 0 291.351 2.053 20 5 CEBDRO Cc1cc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076871904 343900871 /nfs/dbraw/zinc/90/08/71/343900871.db2.gz BKWLLCOEKFEWMH-UHFFFAOYSA-N 1 0 287.323 2.371 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000078332683 343947612 /nfs/dbraw/zinc/94/76/12/343947612.db2.gz XZNDXZAFLFIDLT-DGCLKSJQSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078632028 343959319 /nfs/dbraw/zinc/95/93/19/343959319.db2.gz BCQFYYFIMMOJPV-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO Cn1cc(CN2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602430669 347029445 /nfs/dbraw/zinc/02/94/45/347029445.db2.gz LVYLZGKNVAIBHL-CYBMUJFWSA-N 1 0 272.308 2.275 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049480641 362367284 /nfs/dbraw/zinc/36/72/84/362367284.db2.gz UFOHFBBGLSCOMQ-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO CCc1nn(C)c(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000094132569 344234082 /nfs/dbraw/zinc/23/40/82/344234082.db2.gz MOFMXIDYQSNXBU-UHFFFAOYSA-N 1 0 295.387 2.179 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000049800136 362373952 /nfs/dbraw/zinc/37/39/52/362373952.db2.gz WEYGBOYGNDAFBC-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO C[C@H](CO)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000121267110 344302183 /nfs/dbraw/zinc/30/21/83/344302183.db2.gz ZIRQJUOMPKKTTA-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCCCCC2)c1 ZINC000151283353 344420437 /nfs/dbraw/zinc/42/04/37/344420437.db2.gz CSRXSNUUVNXEKK-UHFFFAOYSA-N 1 0 252.318 2.104 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000153704786 344430232 /nfs/dbraw/zinc/43/02/32/344430232.db2.gz YLNAWFCWVMIMMX-OAHLLOKOSA-N 1 0 292.335 2.216 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000133773460 344370245 /nfs/dbraw/zinc/37/02/45/344370245.db2.gz QQSAJZNXDOEJJJ-LLVKDONJSA-N 1 0 279.340 2.357 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475381 347049664 /nfs/dbraw/zinc/04/96/64/347049664.db2.gz VOOGZUQBYRSKDB-MNOVXSKESA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134430571 344374446 /nfs/dbraw/zinc/37/44/46/344374446.db2.gz BEFUSMPUDSSVHF-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO COc1cccc(NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000134914092 344378843 /nfs/dbraw/zinc/37/88/43/344378843.db2.gz XHEHMWZWMJHHFZ-LLVKDONJSA-N 1 0 279.340 2.357 20 5 CEBDRO COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963107 362387809 /nfs/dbraw/zinc/38/78/09/362387809.db2.gz HEDXJGKPDGLDCF-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO COC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000161558713 344464819 /nfs/dbraw/zinc/46/48/19/344464819.db2.gz COXWWNDTOCFSLA-GFCCVEGCSA-N 1 0 294.351 2.441 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161883483 344465725 /nfs/dbraw/zinc/46/57/25/344465725.db2.gz ZVFRHUNRRBRGSM-OAHLLOKOSA-N 1 0 296.367 2.360 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000164983877 344473267 /nfs/dbraw/zinc/47/32/67/344473267.db2.gz UURSGVGYMWAKHW-JTQLQIEISA-N 1 0 290.279 2.078 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163125 362407257 /nfs/dbraw/zinc/40/72/57/362407257.db2.gz UFBSFBYAZIWOPD-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235676599 344592423 /nfs/dbraw/zinc/59/24/23/344592423.db2.gz DNAVGEUFTXITCN-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483763 347055350 /nfs/dbraw/zinc/05/53/50/347055350.db2.gz LCZFKEOLPPTPQR-GHMZBOCLSA-N 1 0 266.345 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)C1CCC1 ZINC000449742341 282349188 /nfs/dbraw/zinc/34/91/88/282349188.db2.gz YYNZNPZWPCGTDQ-SGJXGLNRSA-N 1 0 276.336 2.359 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000052102547 362464681 /nfs/dbraw/zinc/46/46/81/362464681.db2.gz FKDWIMVQIPGKOR-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392786 344667907 /nfs/dbraw/zinc/66/79/07/344667907.db2.gz YFWRGCZWBCFRPZ-HOCLYGCPSA-N 1 0 289.379 2.163 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000307950163 344725774 /nfs/dbraw/zinc/72/57/74/344725774.db2.gz RXNZIHFBUHUFFB-JTQLQIEISA-N 1 0 292.257 2.306 20 5 CEBDRO CCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328516174 344755081 /nfs/dbraw/zinc/75/50/81/344755081.db2.gz PQBPWNZAMDOESG-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000602569714 347082671 /nfs/dbraw/zinc/08/26/71/347082671.db2.gz RIBXHGCEQMLSFD-OKILXGFUSA-N 1 0 278.352 2.278 20 5 CEBDRO Cn1c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000602567704 347081856 /nfs/dbraw/zinc/08/18/56/347081856.db2.gz GCCGLXIXJXCKHV-UHFFFAOYSA-N 1 0 299.334 2.073 20 5 CEBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762981 344882018 /nfs/dbraw/zinc/88/20/18/344882018.db2.gz KCQNXYIJSMWXDN-TVYUQYBPSA-N 1 0 263.341 2.371 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273241096 192084207 /nfs/dbraw/zinc/08/42/07/192084207.db2.gz YTBLSTJQWNTQEJ-CYBMUJFWSA-N 1 0 287.323 2.100 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000590140384 345116964 /nfs/dbraw/zinc/11/69/64/345116964.db2.gz DVBFYTVVXRYRQJ-SECBINFHSA-N 1 0 255.343 2.044 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000056494959 362560979 /nfs/dbraw/zinc/56/09/79/362560979.db2.gz GNDOXKZBGJLBGB-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000590738463 345171672 /nfs/dbraw/zinc/17/16/72/345171672.db2.gz OPGLAMIVERYOFY-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000591243843 345233711 /nfs/dbraw/zinc/23/37/11/345233711.db2.gz BSMCEZPKYDTASC-VXGBXAGGSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437011 345253759 /nfs/dbraw/zinc/25/37/59/345253759.db2.gz DMDZZLMADDZDEO-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591436564 345253801 /nfs/dbraw/zinc/25/38/01/345253801.db2.gz BUZDDJKQXIHRDI-WCQYABFASA-N 1 0 261.325 2.091 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591679194 345274020 /nfs/dbraw/zinc/27/40/20/345274020.db2.gz KWVRJAUIUDZXTD-UHFFFAOYSA-N 1 0 291.351 2.200 20 5 CEBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000602578659 347086217 /nfs/dbraw/zinc/08/62/17/347086217.db2.gz PCWZUQXVYPDBSD-LBPRGKRZSA-N 1 0 295.314 2.077 20 5 CEBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000592432357 345353026 /nfs/dbraw/zinc/35/30/26/345353026.db2.gz FSQCEFGLSBTGDJ-CQSZACIVSA-N 1 0 281.331 2.164 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593188224 345451274 /nfs/dbraw/zinc/45/12/74/345451274.db2.gz ZALQNFVSFXXXKM-QJPTWQEYSA-N 1 0 291.351 2.148 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127436876 187306166 /nfs/dbraw/zinc/30/61/66/187306166.db2.gz DDIFGKYZHYRUJP-PPYMECGQSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000127447907 187306412 /nfs/dbraw/zinc/30/64/12/187306412.db2.gz WZFAPQIZKCYYLI-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CCF)CCC2 ZINC000593718697 345526467 /nfs/dbraw/zinc/52/64/67/345526467.db2.gz PCNHBTMGSKZQES-FZMZJTMJSA-N 1 0 282.315 2.282 20 5 CEBDRO CC[C@@H]([NH2+][C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719351 345527155 /nfs/dbraw/zinc/52/71/55/345527155.db2.gz WWUMDBUJEPHPIB-WCQYABFASA-N 1 0 270.304 2.356 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCCC[C@@H]1CO ZINC000594014354 345565992 /nfs/dbraw/zinc/56/59/92/345565992.db2.gz BLOLJMZVKOLAHF-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514455 345641607 /nfs/dbraw/zinc/64/16/07/345641607.db2.gz YEOVTNGXYPERHZ-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000059389295 362648544 /nfs/dbraw/zinc/64/85/44/362648544.db2.gz VFHBFEISBSRPFG-ZDUSSCGKSA-N 1 0 292.383 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595229732 345746613 /nfs/dbraw/zinc/74/66/13/345746613.db2.gz CZALVKQTLAIHJT-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000594939939 345710681 /nfs/dbraw/zinc/71/06/81/345710681.db2.gz WQHVJVUUEQJVQP-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO COC[C@@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000594948793 345714076 /nfs/dbraw/zinc/71/40/76/345714076.db2.gz AGKKRSACMRHOFI-CYBMUJFWSA-N 1 0 282.340 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c(F)c1 ZINC000594982381 345721494 /nfs/dbraw/zinc/72/14/94/345721494.db2.gz DMBUQXVTQCRKAS-UHFFFAOYSA-N 1 0 294.326 2.375 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000594982822 345721539 /nfs/dbraw/zinc/72/15/39/345721539.db2.gz IHGZARPTMLWCOJ-ZDUSSCGKSA-N 1 0 264.325 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594987459 345722059 /nfs/dbraw/zinc/72/20/59/345722059.db2.gz KMQLWZHEADCTRM-ZIAGYGMSSA-N 1 0 276.336 2.296 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988543 345722621 /nfs/dbraw/zinc/72/26/21/345722621.db2.gz QJFAFSGEMYGUDV-UONOGXRCSA-N 1 0 276.336 2.296 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006933 345725659 /nfs/dbraw/zinc/72/56/59/345725659.db2.gz MXSWBEDTMFFOFT-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020801 345728975 /nfs/dbraw/zinc/72/89/75/345728975.db2.gz NTDYMVLQEDZGJW-ZYHUDNBSSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(CO)CC1 ZINC000595050715 345734746 /nfs/dbraw/zinc/73/47/46/345734746.db2.gz JOLHHXHSNHBUJM-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C\CO)CCC2 ZINC000595066078 345738082 /nfs/dbraw/zinc/73/80/82/345738082.db2.gz BUOLAALJYXZRCX-DDGIKZQJSA-N 1 0 262.309 2.110 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCCC[C@H]1CO ZINC000595562211 345814363 /nfs/dbraw/zinc/81/43/63/345814363.db2.gz RVRBBODLIXGLFD-ZDUSSCGKSA-N 1 0 282.315 2.471 20 5 CEBDRO CN(Cc1cn[nH]c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380089 345771610 /nfs/dbraw/zinc/77/16/10/345771610.db2.gz ZXYABLYZHBCUOL-UHFFFAOYSA-N 1 0 264.260 2.089 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529725 345803840 /nfs/dbraw/zinc/80/38/40/345803840.db2.gz QZHSUNSDKFFTAH-WCQYABFASA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000595703877 345855353 /nfs/dbraw/zinc/85/53/53/345855353.db2.gz BBVLCGAGMVENNL-XHDPSFHLSA-N 1 0 286.335 2.109 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C3CCC3)CC2)c1 ZINC000595657739 345840357 /nfs/dbraw/zinc/84/03/57/345840357.db2.gz BOFYLDZIGDTPPS-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835831 345892298 /nfs/dbraw/zinc/89/22/98/345892298.db2.gz WALHWFJNNUHCHI-MNOVXSKESA-N 1 0 280.299 2.202 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776406 345873954 /nfs/dbraw/zinc/87/39/54/345873954.db2.gz AWXYJZRJIRFBIX-ZIAGYGMSSA-N 1 0 276.336 2.296 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595931418 345914158 /nfs/dbraw/zinc/91/41/58/345914158.db2.gz WYXYMGOZFSMVTQ-PWSUYJOCSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000595948089 345917367 /nfs/dbraw/zinc/91/73/67/345917367.db2.gz ABQOTDITWVQAGT-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH2+]C ZINC000595985095 345921191 /nfs/dbraw/zinc/92/11/91/345921191.db2.gz WESXKDGPXWJYOT-VIFPVBQESA-N 1 0 297.380 2.045 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C2CC2)CC1 ZINC000596065776 345931479 /nfs/dbraw/zinc/93/14/79/345931479.db2.gz KBEPEBWHOSXAKF-UHFFFAOYSA-N 1 0 296.758 2.104 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCCF ZINC000596095553 345938463 /nfs/dbraw/zinc/93/84/63/345938463.db2.gz RGLNVLQGKYOOCJ-LBPRGKRZSA-N 1 0 284.331 2.492 20 5 CEBDRO Cc1cc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596112773 345942773 /nfs/dbraw/zinc/94/27/73/345942773.db2.gz VSUGFGLIANKVOU-UHFFFAOYSA-N 1 0 269.370 2.497 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596117127 345943332 /nfs/dbraw/zinc/94/33/32/345943332.db2.gz WFLVKVBMFBEZPY-LLVKDONJSA-N 1 0 299.396 2.487 20 5 CEBDRO C[NH+](C)CC1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000596248037 345980089 /nfs/dbraw/zinc/98/00/89/345980089.db2.gz VTRHBTGRMCKADQ-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000596251719 345980882 /nfs/dbraw/zinc/98/08/82/345980882.db2.gz XKGUUJPOMCOTFA-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000596194750 345966806 /nfs/dbraw/zinc/96/68/06/345966806.db2.gz PUNALCNKGXJICZ-NSHDSACASA-N 1 0 294.355 2.372 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000596337426 346003009 /nfs/dbraw/zinc/00/30/09/346003009.db2.gz XDEOHPVQYRKGQC-NSHDSACASA-N 1 0 264.329 2.275 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477275 346032995 /nfs/dbraw/zinc/03/29/95/346032995.db2.gz IQUDOWMQXWJXIU-LLVKDONJSA-N 1 0 293.371 2.147 20 5 CEBDRO Cc1c(NC(=O)NCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596634679 346069365 /nfs/dbraw/zinc/06/93/65/346069365.db2.gz BMDSFWVVPADKNV-SNVBAGLBSA-N 1 0 294.355 2.365 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654540 346072662 /nfs/dbraw/zinc/07/26/62/346072662.db2.gz PYZFJRFKPFXAIE-WDEREUQCSA-N 1 0 281.356 2.252 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000085357768 179030700 /nfs/dbraw/zinc/03/07/00/179030700.db2.gz REFHUXGKCDWSNY-NWDGAFQWSA-N 1 0 263.297 2.051 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644995 346391474 /nfs/dbraw/zinc/39/14/74/346391474.db2.gz CMHPRKPJTKUYPF-WCQYABFASA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598647567 346392082 /nfs/dbraw/zinc/39/20/82/346392082.db2.gz OUHWSWJOJDOWCW-JQWIXIFHSA-N 1 0 282.315 2.184 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1COC1 ZINC000599010175 346446382 /nfs/dbraw/zinc/44/63/82/346446382.db2.gz RDGMKICAZOSYII-WZUFQYTHSA-N 1 0 262.309 2.234 20 5 CEBDRO Cc1ccc(C[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599022465 346447396 /nfs/dbraw/zinc/44/73/96/346447396.db2.gz LCWQPTISCOUOGX-UHFFFAOYSA-N 1 0 287.310 2.190 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914510 346433297 /nfs/dbraw/zinc/43/32/97/346433297.db2.gz GVBPOVWQOMHWLM-ZDUSSCGKSA-N 1 0 298.318 2.229 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599080456 346457109 /nfs/dbraw/zinc/45/71/09/346457109.db2.gz HBJGBPVETSRFCQ-WZRBSPASSA-N 1 0 264.325 2.325 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CC[C@H]1C2 ZINC000599082621 346457263 /nfs/dbraw/zinc/45/72/63/346457263.db2.gz DZFCGIPIAVPWMN-LBPRGKRZSA-N 1 0 284.319 2.037 20 5 CEBDRO C/C=C/C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599081414 346457364 /nfs/dbraw/zinc/45/73/64/346457364.db2.gz KKPPSDLNQPAQFY-UFFNRZRYSA-N 1 0 277.324 2.478 20 5 CEBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000599110539 346461208 /nfs/dbraw/zinc/46/12/08/346461208.db2.gz WLNOSDULBRTLBA-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000599164729 346470634 /nfs/dbraw/zinc/47/06/34/346470634.db2.gz KZVPEJJPCWYMHH-ZDUSSCGKSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599165740 346471294 /nfs/dbraw/zinc/47/12/94/346471294.db2.gz RTOVYTZMOWBOPW-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196047 362758014 /nfs/dbraw/zinc/75/80/14/362758014.db2.gz RNBKJXCZQJFALA-DOMZBBRYSA-N 1 0 277.368 2.339 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000599673671 346560300 /nfs/dbraw/zinc/56/03/00/346560300.db2.gz UHEJRPRVQNVMTM-UHFFFAOYSA-N 1 0 282.340 2.283 20 5 CEBDRO C[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599511840 346531116 /nfs/dbraw/zinc/53/11/16/346531116.db2.gz BWGNFUMPILHUKT-UWVGGRQHSA-N 1 0 288.298 2.014 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599585296 346542190 /nfs/dbraw/zinc/54/21/90/346542190.db2.gz FANKHKWETPLHLB-LBPRGKRZSA-N 1 0 290.323 2.001 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000601127228 346761697 /nfs/dbraw/zinc/76/16/97/346761697.db2.gz CJXWFJDEZMKLPY-WPRPVWTQSA-N 1 0 280.303 2.166 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000601186968 346780630 /nfs/dbraw/zinc/78/06/30/346780630.db2.gz IQMXAKQZLHNNNC-UHFFFAOYSA-N 1 0 278.356 2.137 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601153133 346771441 /nfs/dbraw/zinc/77/14/41/346771441.db2.gz JXDQCHQQUZQLNU-UHFFFAOYSA-N 1 0 296.346 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)c2ncccc12 ZINC000601194344 346783392 /nfs/dbraw/zinc/78/33/92/346783392.db2.gz ZCGJUTARWQEJFG-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601226622 346795779 /nfs/dbraw/zinc/79/57/79/346795779.db2.gz HSDFLZPCKPBWMH-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CCOc1cc(NC[C@@H](C)C[NH2+]C)ccc1[N+](=O)[O-] ZINC000129546023 365870470 /nfs/dbraw/zinc/87/04/70/365870470.db2.gz NTRJGWDBTZHRDL-JTQLQIEISA-N 1 0 267.329 2.261 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635645 347116151 /nfs/dbraw/zinc/11/61/51/347116151.db2.gz AULVEXLDAJDTQW-DTWKUNHWSA-N 1 0 292.364 2.455 20 5 CEBDRO CC[C@](C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000602639522 347117957 /nfs/dbraw/zinc/11/79/57/347117957.db2.gz JYQUEERSHLEVFG-CQSZACIVSA-N 1 0 296.371 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC000602715353 347166817 /nfs/dbraw/zinc/16/68/17/347166817.db2.gz FSICQVBFHFNOIR-UHFFFAOYSA-N 1 0 290.363 2.278 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602654095 347124879 /nfs/dbraw/zinc/12/48/79/347124879.db2.gz IYEGVDBRXQHLMY-RISCZKNCSA-N 1 0 290.367 2.347 20 5 CEBDRO CC[C@H](C)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784097 347197068 /nfs/dbraw/zinc/19/70/68/347197068.db2.gz MTISHLDOMXDIOY-JTQLQIEISA-N 1 0 254.334 2.078 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(F)F)CC1 ZINC000602784681 347197210 /nfs/dbraw/zinc/19/72/10/347197210.db2.gz IZJJGUXCGCQJLS-UHFFFAOYSA-N 1 0 288.298 2.077 20 5 CEBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803353 347206061 /nfs/dbraw/zinc/20/60/61/347206061.db2.gz XEDYMXNCSNKTMT-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1(C)CCCC1 ZINC000602819825 347212890 /nfs/dbraw/zinc/21/28/90/347212890.db2.gz DVDPOJMDJNDYME-UHFFFAOYSA-N 1 0 266.345 2.364 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810784 347209120 /nfs/dbraw/zinc/20/91/20/347209120.db2.gz JCRMVAHKEQNNEQ-SCVCMEIPSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nccs1 ZINC000602809874 347209175 /nfs/dbraw/zinc/20/91/75/347209175.db2.gz JDJTVZVBHGFQOE-JTQLQIEISA-N 1 0 295.368 2.297 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602751648 347185233 /nfs/dbraw/zinc/18/52/33/347185233.db2.gz KJZVZTXEBXYYKP-HNNXBMFYSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CC(C)(C)C1 ZINC000602840529 347220840 /nfs/dbraw/zinc/22/08/40/347220840.db2.gz MJSKDBFKISGPAL-UHFFFAOYSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000603141550 347296489 /nfs/dbraw/zinc/29/64/89/347296489.db2.gz DSQTWCPUHHIFCX-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@](CO)([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962884 347258248 /nfs/dbraw/zinc/25/82/48/347258248.db2.gz PXWANVVRKZGFIR-CQSZACIVSA-N 1 0 264.325 2.192 20 5 CEBDRO C[C@@](CO)([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962517 347258309 /nfs/dbraw/zinc/25/83/09/347258309.db2.gz LNZHFBHXIKHACH-AWEZNQCLSA-N 1 0 264.325 2.192 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000602998014 347270541 /nfs/dbraw/zinc/27/05/41/347270541.db2.gz VTMFSBPFRGPMGP-WOPDTQHZSA-N 1 0 295.339 2.017 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000086014153 179215262 /nfs/dbraw/zinc/21/52/62/179215262.db2.gz SJUPGYWOMWRLGU-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1(C)C ZINC000603405468 347360914 /nfs/dbraw/zinc/36/09/14/347360914.db2.gz IXBWMPKDXJMXEU-QWRGUYRKSA-N 1 0 282.319 2.270 20 5 CEBDRO CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000603431126 347368590 /nfs/dbraw/zinc/36/85/90/347368590.db2.gz FCNGOOADPIOJEB-NWDGAFQWSA-N 1 0 283.759 2.464 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609508344 347641707 /nfs/dbraw/zinc/64/17/07/347641707.db2.gz QMNZARNCUQDXMF-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000609707999 347649430 /nfs/dbraw/zinc/64/94/30/347649430.db2.gz VFBGDHJETPLEJR-IOCXFXADSA-N 1 0 264.325 2.357 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000610112078 347660590 /nfs/dbraw/zinc/66/05/90/347660590.db2.gz VCAGUAZPEHDSNX-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000610636301 347697751 /nfs/dbraw/zinc/69/77/51/347697751.db2.gz NGULVSKZLZBCLR-MNOVXSKESA-N 1 0 279.340 2.031 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129929547 365908675 /nfs/dbraw/zinc/90/86/75/365908675.db2.gz FIEKMANKWOCDSC-LBPRGKRZSA-N 1 0 293.367 2.470 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000610990758 347727778 /nfs/dbraw/zinc/72/77/78/347727778.db2.gz MINSQUVNNUEYPV-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611084707 347737846 /nfs/dbraw/zinc/73/78/46/347737846.db2.gz LSCDSZGGGRDEEO-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092217 347738779 /nfs/dbraw/zinc/73/87/79/347738779.db2.gz LSZBKZAKUYMKFY-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221670 347753449 /nfs/dbraw/zinc/75/34/49/347753449.db2.gz MEXBFGHZRKZXCA-NEPJUHHUSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611520891 347790182 /nfs/dbraw/zinc/79/01/82/347790182.db2.gz UKXVCZNRYUIWPN-JTQLQIEISA-N 1 0 290.323 2.356 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000612404361 347880679 /nfs/dbraw/zinc/88/06/79/347880679.db2.gz KGKRICYXEBFIGQ-KCQAQPDRSA-N 1 0 276.336 2.106 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CC1 ZINC000615724006 348382311 /nfs/dbraw/zinc/38/23/11/348382311.db2.gz HHWVIMIVGFIBKG-KPKJPENVSA-N 1 0 276.336 2.360 20 5 CEBDRO Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000128977567 187403661 /nfs/dbraw/zinc/40/36/61/187403661.db2.gz OAQFKINERIIAFW-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000619480698 349187498 /nfs/dbraw/zinc/18/74/98/349187498.db2.gz MQSAVQRJZVJGGC-GFCCVEGCSA-N 1 0 293.371 2.016 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339622949 215272074 /nfs/dbraw/zinc/27/20/74/215272074.db2.gz QVTMBKPBOGYVCV-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO O=[N+]([O-])c1cnc(Nc2cnn(-c3cc[nH+]cc3)c2)s1 ZINC000619695493 349219343 /nfs/dbraw/zinc/21/93/43/349219343.db2.gz RMEJXGCUWBJIOX-UHFFFAOYSA-N 1 0 288.292 2.376 20 5 CEBDRO Cc1cnc(OCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692864 180025332 /nfs/dbraw/zinc/02/53/32/180025332.db2.gz HFFSZRKBUIRHOJ-LLVKDONJSA-N 1 0 265.313 2.067 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)C)CC1 ZINC000130455785 365959187 /nfs/dbraw/zinc/95/91/87/365959187.db2.gz VPJAMVZROACQSK-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC000091556645 180190981 /nfs/dbraw/zinc/19/09/81/180190981.db2.gz GZZMDPVTROHUCG-LLVKDONJSA-N 1 0 295.387 2.406 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107692082 186186310 /nfs/dbraw/zinc/18/63/10/186186310.db2.gz KZXQAXYIGZQTSN-GFCCVEGCSA-N 1 0 264.325 2.453 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352230915 219374587 /nfs/dbraw/zinc/37/45/87/219374587.db2.gz NBWFYSHBJRDJIO-GFCCVEGCSA-N 1 0 250.298 2.206 20 5 CEBDRO CCC[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000569116002 299181836 /nfs/dbraw/zinc/18/18/36/299181836.db2.gz CKGGCGNJXQCUSH-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO Cc1ccnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131678308 366075560 /nfs/dbraw/zinc/07/55/60/366075560.db2.gz HACLRQAZFNKTLX-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000123681485 187104115 /nfs/dbraw/zinc/10/41/15/187104115.db2.gz QPSSRHZTZMISFL-NSHDSACASA-N 1 0 271.386 2.462 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000292268736 198224942 /nfs/dbraw/zinc/22/49/42/198224942.db2.gz ZHXVQMXLEIKALH-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423849 188017266 /nfs/dbraw/zinc/01/72/66/188017266.db2.gz CQFPOUWEWFEZNJ-RYUDHWBXSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157974839 188350583 /nfs/dbraw/zinc/35/05/83/188350583.db2.gz QGZABZUXQBYVNB-LLVKDONJSA-N 1 0 290.323 2.190 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337226156 366089690 /nfs/dbraw/zinc/08/96/90/366089690.db2.gz QQJUBZXJIMGYHG-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H]([NH2+]CCC1OCCCO1)c1ccccc1[N+](=O)[O-] ZINC000271714756 191288454 /nfs/dbraw/zinc/28/84/54/191288454.db2.gz JRIRLTWDFLDLSH-LLVKDONJSA-N 1 0 280.324 2.399 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC12CCCC2 ZINC000451457835 282995950 /nfs/dbraw/zinc/99/59/50/282995950.db2.gz NTMXPPTWGOOCTK-NSHDSACASA-N 1 0 264.329 2.141 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634589 283058905 /nfs/dbraw/zinc/05/89/05/283058905.db2.gz RVZDIDYOSZYQAJ-TYNCELHUSA-N 1 0 275.352 2.292 20 5 CEBDRO COC(=O)CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000271796248 191332245 /nfs/dbraw/zinc/33/22/45/191332245.db2.gz BEJPDPGMAZKBFH-UHFFFAOYSA-N 1 0 280.324 2.418 20 5 CEBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272129784 191530411 /nfs/dbraw/zinc/53/04/11/191530411.db2.gz RXGWGBLZKCWNQC-JQWIXIFHSA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134080740 366283114 /nfs/dbraw/zinc/28/31/14/366283114.db2.gz KMQFZTHMUIJHDM-DGCLKSJQSA-N 1 0 291.351 2.223 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000134248071 366302677 /nfs/dbraw/zinc/30/26/77/366302677.db2.gz XEYQXUGZJYJEMV-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000452137276 283201089 /nfs/dbraw/zinc/20/10/89/283201089.db2.gz ZVMGJQJJGLEJKR-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO CC(C)[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913626 366373289 /nfs/dbraw/zinc/37/32/89/366373289.db2.gz SZBLCTNJFUYRPY-GFCCVEGCSA-N 1 0 272.732 2.355 20 5 CEBDRO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079076699 363575077 /nfs/dbraw/zinc/57/50/77/363575077.db2.gz ADVGPRMBANPPEO-UHFFFAOYSA-N 1 0 291.351 2.430 20 5 CEBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000079198129 363584727 /nfs/dbraw/zinc/58/47/27/363584727.db2.gz BKFUFJGIFGIGPH-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO COc1ccc(C[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294687815 199134022 /nfs/dbraw/zinc/13/40/22/199134022.db2.gz CBJWRHFKFCUXHV-UHFFFAOYSA-N 1 0 282.340 2.102 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000135741656 366472435 /nfs/dbraw/zinc/47/24/35/366472435.db2.gz YAPCWEFDQSCYLG-GFCCVEGCSA-N 1 0 293.367 2.326 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136166217 366500082 /nfs/dbraw/zinc/50/00/82/366500082.db2.gz GMMTWNLWFKGLKV-SMDDNHRTSA-N 1 0 264.325 2.330 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668479 366531562 /nfs/dbraw/zinc/53/15/62/366531562.db2.gz DRNXINWKSIDXTK-GXFFZTMASA-N 1 0 296.392 2.286 20 5 CEBDRO COc1cccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338784992 366522109 /nfs/dbraw/zinc/52/21/09/366522109.db2.gz BCEULRWADWMWPH-GHMZBOCLSA-N 1 0 279.340 2.132 20 5 CEBDRO [NH3+]CC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(F)F ZINC000414991445 283445022 /nfs/dbraw/zinc/44/50/22/283445022.db2.gz PQHYYPHQWGAKLY-TZNOJPMFSA-N 1 0 285.294 2.180 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000297040882 200068831 /nfs/dbraw/zinc/06/88/31/200068831.db2.gz VFBWCMGYTZBQLM-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO CC(C)(C)[NH2+]CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571146480 299295657 /nfs/dbraw/zinc/29/56/57/299295657.db2.gz GBAXVMKONCBQFA-UHFFFAOYSA-N 1 0 277.368 2.341 20 5 CEBDRO Cn1cncc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000297592583 200235644 /nfs/dbraw/zinc/23/56/44/200235644.db2.gz JKCIMURAXORFPO-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000080677976 363677696 /nfs/dbraw/zinc/67/76/96/363677696.db2.gz GDMTZLANONOYGZ-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1C)C1CC1 ZINC000080977342 363692173 /nfs/dbraw/zinc/69/21/73/363692173.db2.gz OGHLCDJNUOFRSR-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000339114858 366659583 /nfs/dbraw/zinc/65/95/83/366659583.db2.gz SFTFJOFFCHBIJF-LBPRGKRZSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000341931414 216156569 /nfs/dbraw/zinc/15/65/69/216156569.db2.gz LCTMUAOWYHSWBR-CHWSQXEVSA-N 1 0 292.383 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(F)c1 ZINC000298700476 200509819 /nfs/dbraw/zinc/50/98/19/200509819.db2.gz HOOANIMLNBRFRN-UHFFFAOYSA-N 1 0 297.330 2.258 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237125005 283563735 /nfs/dbraw/zinc/56/37/35/283563735.db2.gz AGCSMTNRNJVIKO-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CCOC[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712053 189139301 /nfs/dbraw/zinc/13/93/01/189139301.db2.gz CELZMXYPTIIRHR-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1sc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178840891 189149654 /nfs/dbraw/zinc/14/96/54/189149654.db2.gz VPNPSACWEXZUIA-MRVPVSSYSA-N 1 0 297.380 2.164 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000238031932 283631409 /nfs/dbraw/zinc/63/14/09/283631409.db2.gz UOHREJPLRRVNFZ-RYUDHWBXSA-N 1 0 289.335 2.001 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153852453 366741342 /nfs/dbraw/zinc/74/13/42/366741342.db2.gz IDVPKYVKKQGEQR-AWEZNQCLSA-N 1 0 291.351 2.007 20 5 CEBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000008178084 361342266 /nfs/dbraw/zinc/34/22/66/361342266.db2.gz AVMVAIKIRAGVLQ-UHFFFAOYSA-N 1 0 269.732 2.390 20 5 CEBDRO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1(C)C ZINC000580211763 366767030 /nfs/dbraw/zinc/76/70/30/366767030.db2.gz IQIMYQLWIIPAOU-UHFFFAOYSA-N 1 0 299.321 2.399 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736324 366819196 /nfs/dbraw/zinc/81/91/96/366819196.db2.gz RVQBOSIKNPANGR-ZDUSSCGKSA-N 1 0 272.308 2.403 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340257462 366820854 /nfs/dbraw/zinc/82/08/54/366820854.db2.gz XTRHBQUXDGWDHD-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000020054293 361576105 /nfs/dbraw/zinc/57/61/05/361576105.db2.gz DYIICQCMBYJTCX-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO CNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025449186 361627508 /nfs/dbraw/zinc/62/75/08/361627508.db2.gz PJBHXLDGWLYBAE-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000084440160 363811284 /nfs/dbraw/zinc/81/12/84/363811284.db2.gz QJSOSFOPUIVWQK-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1c(C[NH2+]Cc2c[nH]c3nccnc23)cccc1[N+](=O)[O-] ZINC000356406502 370697228 /nfs/dbraw/zinc/69/72/28/370697228.db2.gz MRPUUHIFLBCZPB-UHFFFAOYSA-N 1 0 297.318 2.416 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH2+]C2CC2)nn1 ZINC000090299982 364051923 /nfs/dbraw/zinc/05/19/23/364051923.db2.gz YZMDRGOQAUFMCP-UHFFFAOYSA-N 1 0 293.714 2.081 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517643 364060853 /nfs/dbraw/zinc/06/08/53/364060853.db2.gz LNXAVWWYIOSDNV-QWHCGFSZSA-N 1 0 293.367 2.267 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093873069 364237286 /nfs/dbraw/zinc/23/72/86/364237286.db2.gz GGEBCNUBDNLYTP-UHFFFAOYSA-N 1 0 251.330 2.012 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)c1 ZINC000094269410 364264057 /nfs/dbraw/zinc/26/40/57/364264057.db2.gz DUXJCCKFPMCIJP-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771760 364293790 /nfs/dbraw/zinc/29/37/90/364293790.db2.gz MJUGOWTXVHXICW-SNVBAGLBSA-N 1 0 289.339 2.367 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000103955920 364671945 /nfs/dbraw/zinc/67/19/45/364671945.db2.gz XKOISBSHHJWRRB-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114681 364773807 /nfs/dbraw/zinc/77/38/07/364773807.db2.gz ICNYSCGQLFAFLM-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000112309816 364789560 /nfs/dbraw/zinc/78/95/60/364789560.db2.gz UWHRSXKLXWTGIX-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000114486726 364949306 /nfs/dbraw/zinc/94/93/06/364949306.db2.gz HNGAWIXJBMVZNF-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000114724188 364961068 /nfs/dbraw/zinc/96/10/68/364961068.db2.gz FYOWZXAYDCZCBD-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000159096195 366877625 /nfs/dbraw/zinc/87/76/25/366877625.db2.gz YZJTXUYLASKLNZ-RISCZKNCSA-N 1 0 294.351 2.339 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275820430 193138077 /nfs/dbraw/zinc/13/80/77/193138077.db2.gz HGRYFWOWGVYOEK-MQMHXKEQSA-N 1 0 294.351 2.209 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000159210676 366889428 /nfs/dbraw/zinc/88/94/28/366889428.db2.gz GYIDNWCYJYTERA-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000159238267 366892313 /nfs/dbraw/zinc/89/23/13/366892313.db2.gz ZWZWNKPNELWPOF-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000159747561 366945218 /nfs/dbraw/zinc/94/52/18/366945218.db2.gz OYBVEJCEQYMCCS-UHFFFAOYSA-N 1 0 293.367 2.411 20 5 CEBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000161539058 367095696 /nfs/dbraw/zinc/09/56/96/367095696.db2.gz KRNGHMRTYNHXBE-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341204051 367220284 /nfs/dbraw/zinc/22/02/84/367220284.db2.gz OZDGQHZCVBYSMF-PWSUYJOCSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000341207511 367221872 /nfs/dbraw/zinc/22/18/72/367221872.db2.gz TWKZOVBKVAMQFQ-CMPLNLGQSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449803 367240638 /nfs/dbraw/zinc/24/06/38/367240638.db2.gz JNFHSTYBIPYQCE-AAEUAGOBSA-N 1 0 263.341 2.012 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434463 367910875 /nfs/dbraw/zinc/91/08/75/367910875.db2.gz VWXAZTKPCFETHT-OPQQBVKSSA-N 1 0 284.381 2.358 20 5 CEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000343641355 367932926 /nfs/dbraw/zinc/93/29/26/367932926.db2.gz ZJQLFVHVRPZHDD-UHFFFAOYSA-N 1 0 298.346 2.310 20 5 CEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCO)CC2)cc1 ZINC000174247672 368002074 /nfs/dbraw/zinc/00/20/74/368002074.db2.gz GZDDFNRKQGYOAW-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000174650188 368052284 /nfs/dbraw/zinc/05/22/84/368052284.db2.gz JSRDELOBQRCWEL-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000174670752 368054933 /nfs/dbraw/zinc/05/49/33/368054933.db2.gz OKJFLQFMDHZYFO-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174463239 368025588 /nfs/dbraw/zinc/02/55/88/368025588.db2.gz AMUHRCZOLLOTJT-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000182687475 368579942 /nfs/dbraw/zinc/57/99/42/368579942.db2.gz MOPYWPPPOPJPGF-LLVKDONJSA-N 1 0 266.345 2.350 20 5 CEBDRO COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000346666223 368760166 /nfs/dbraw/zinc/76/01/66/368760166.db2.gz PWLZTKOTCLYBDG-SKDRFNHKSA-N 1 0 296.298 2.117 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000185809999 368865311 /nfs/dbraw/zinc/86/53/11/368865311.db2.gz FCVPMIARAWIOHI-OOPCZODUSA-N 1 0 264.325 2.320 20 5 CEBDRO CC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000186898631 369064492 /nfs/dbraw/zinc/06/44/92/369064492.db2.gz OPSIMURNAIBTSO-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000276067120 193203599 /nfs/dbraw/zinc/20/35/99/193203599.db2.gz VTSMVQRYSSEZNS-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000349403043 369318902 /nfs/dbraw/zinc/31/89/02/369318902.db2.gz BFPZYMVFZAWDAS-BQUOTFMISA-N 1 0 276.336 2.311 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000349793894 369403255 /nfs/dbraw/zinc/40/32/55/369403255.db2.gz YAAUKICCFFCQLO-SCOBNMCVSA-N 1 0 264.325 2.320 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000246435989 370961325 /nfs/dbraw/zinc/96/13/25/370961325.db2.gz IOVVWMFXELHFLP-TZMCWYRMSA-N 1 0 264.325 2.188 20 5 CEBDRO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352554907 369784461 /nfs/dbraw/zinc/78/44/61/369784461.db2.gz ILCNGHPFPGIUCB-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192249750 369784980 /nfs/dbraw/zinc/78/49/80/369784980.db2.gz XMZYPKRXRNJLMO-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO COc1cc(C[NH2+][C@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000352708730 369848315 /nfs/dbraw/zinc/84/83/15/369848315.db2.gz XMDRGIXCXHAUDY-CYBMUJFWSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000192793024 369854708 /nfs/dbraw/zinc/85/47/08/369854708.db2.gz UXWXQIQKADCQDS-GFCCVEGCSA-N 1 0 278.356 2.463 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193566804 369955778 /nfs/dbraw/zinc/95/57/78/369955778.db2.gz XJILUOBYMCIVNE-QPUJVOFHSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)[N@H+](C)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000221788358 370246090 /nfs/dbraw/zinc/24/60/90/370246090.db2.gz RZAQOGKUAPCBMO-UHFFFAOYSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000354043253 370192679 /nfs/dbraw/zinc/19/26/79/370192679.db2.gz XQGGRLZCAGDEOF-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000218104938 370205978 /nfs/dbraw/zinc/20/59/78/370205978.db2.gz FXMPFFQYHNYCGD-CQSZACIVSA-N 1 0 266.341 2.278 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000227072636 370357008 /nfs/dbraw/zinc/35/70/08/370357008.db2.gz IVHZFXPYTKOKMX-MGPQQGTHSA-N 1 0 276.336 2.498 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000227420407 370370814 /nfs/dbraw/zinc/37/08/14/370370814.db2.gz ONKRMDCOAUULPN-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031082 370393092 /nfs/dbraw/zinc/39/30/92/370393092.db2.gz SMDOBAWHUZSKBG-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898805 370468728 /nfs/dbraw/zinc/46/87/28/370468728.db2.gz LGJNKFUNZUXDFB-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)(C)[NH2+]CCNCc1ccccc1[N+](=O)[O-] ZINC000230973647 370472259 /nfs/dbraw/zinc/47/22/59/370472259.db2.gz AAFYWVBZEKBMRF-UHFFFAOYSA-N 1 0 251.330 2.073 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235449795 370566129 /nfs/dbraw/zinc/56/61/29/370566129.db2.gz BDHDCBLTQNXMES-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000248343321 371176810 /nfs/dbraw/zinc/17/68/10/371176810.db2.gz KDAKESSCCVTWTJ-YRGRVCCFSA-N 1 0 294.351 2.065 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248375756 371183044 /nfs/dbraw/zinc/18/30/44/371183044.db2.gz XWUOLIPUHICLTO-RWMBFGLXSA-N 1 0 296.367 2.359 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000248502997 371203024 /nfs/dbraw/zinc/20/30/24/371203024.db2.gz UQPBCDLSYGIUIA-MQYCPVHVSA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC[NH+]2CCCCC2)n1 ZINC000358838390 371243242 /nfs/dbraw/zinc/24/32/42/371243242.db2.gz DMXIJSOYNGJXIF-UHFFFAOYSA-N 1 0 279.340 2.471 20 5 CEBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248967702 371276219 /nfs/dbraw/zinc/27/62/19/371276219.db2.gz SAPGAQLKTFKBST-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000252413033 371436090 /nfs/dbraw/zinc/43/60/90/371436090.db2.gz MRSYCLOQUCXSTL-GDLCADMTSA-N 1 0 289.335 2.454 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000252513071 371451374 /nfs/dbraw/zinc/45/13/74/371451374.db2.gz JMVYETFGBYIYSY-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261596708 371670220 /nfs/dbraw/zinc/67/02/20/371670220.db2.gz NTYYTTVFHIACNE-ZDUSSCGKSA-N 1 0 281.312 2.059 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622391 371681791 /nfs/dbraw/zinc/68/17/91/371681791.db2.gz UUXZFLMXAIOQSM-COPLHBTASA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000261655288 371694033 /nfs/dbraw/zinc/69/40/33/371694033.db2.gz FGRGMVJSCUMTNI-UHFFFAOYSA-N 1 0 289.295 2.076 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261685812 371701676 /nfs/dbraw/zinc/70/16/76/371701676.db2.gz HEWNUAIJNVIHNT-ZETCQYMHSA-N 1 0 296.714 2.449 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000262133291 371829524 /nfs/dbraw/zinc/82/95/24/371829524.db2.gz YKSDAOYJLQTXHO-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262889798 371919579 /nfs/dbraw/zinc/91/95/79/371919579.db2.gz CLWGPORJNHBLJT-HIFRSBDPSA-N 1 0 291.351 2.119 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000267221147 372061122 /nfs/dbraw/zinc/06/11/22/372061122.db2.gz NVUTWIDPBIJUID-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000266395216 372044096 /nfs/dbraw/zinc/04/40/96/372044096.db2.gz OOLLEMCWDIWDDL-LBPRGKRZSA-N 1 0 291.351 2.278 20 5 CEBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344222190 217105353 /nfs/dbraw/zinc/10/53/53/217105353.db2.gz SLTBDTHIKFRFSK-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268512140 372124418 /nfs/dbraw/zinc/12/44/18/372124418.db2.gz SDDKSSCYFXVFGV-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268795894 372226531 /nfs/dbraw/zinc/22/65/31/372226531.db2.gz DLLCYRHWSNUUQY-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237552837 189881130 /nfs/dbraw/zinc/88/11/30/189881130.db2.gz JRNXQEXEMMBBKG-WCBMZHEXSA-N 1 0 297.380 2.307 20 5 CEBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000268852206 372255553 /nfs/dbraw/zinc/25/55/53/372255553.db2.gz HMKLHTFRUBUWHI-IUODEOHRSA-N 1 0 291.395 2.456 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000362373720 372338089 /nfs/dbraw/zinc/33/80/89/372338089.db2.gz OJJRYERDMHUGOL-MWLCHTKSSA-N 1 0 277.324 2.039 20 5 CEBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269232519 372390592 /nfs/dbraw/zinc/39/05/92/372390592.db2.gz VYYXAMBYKXBXIL-KWQFWETISA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269182568 372367617 /nfs/dbraw/zinc/36/76/17/372367617.db2.gz ILJJQHGDDFNXIM-SCZZXKLOSA-N 1 0 297.380 2.083 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000269631397 372512396 /nfs/dbraw/zinc/51/23/96/372512396.db2.gz FLZSDKWGCHGAJF-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000269772568 372562157 /nfs/dbraw/zinc/56/21/57/372562157.db2.gz BUNSZCFBUDYVQJ-ONGXEEELSA-N 1 0 270.354 2.392 20 5 CEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000365984935 372973484 /nfs/dbraw/zinc/97/34/84/372973484.db2.gz BWPFFYMVIKFNHH-UHFFFAOYSA-N 1 0 293.298 2.301 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCO ZINC000344783022 217310182 /nfs/dbraw/zinc/31/01/82/217310182.db2.gz IFSMFJLCJDYNMK-JATZPVMKSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271036108 373084141 /nfs/dbraw/zinc/08/41/41/373084141.db2.gz YEMVBXXWVFGFLM-QWRGUYRKSA-N 1 0 292.257 2.386 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368409860 373237047 /nfs/dbraw/zinc/23/70/47/373237047.db2.gz HTCDWKYIPOWRPO-RISCZKNCSA-N 1 0 276.336 2.421 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCCCC[C@@H]32)c1 ZINC000369454422 373422318 /nfs/dbraw/zinc/42/23/18/373422318.db2.gz ZZPMUAMFLQXUMQ-OCCSQVGLSA-N 1 0 278.356 2.446 20 5 CEBDRO Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000272611081 373580781 /nfs/dbraw/zinc/58/07/81/373580781.db2.gz ZINHQSRUCACFCF-LBPRGKRZSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000274064350 373799164 /nfs/dbraw/zinc/79/91/64/373799164.db2.gz PDFDPFMGKIZCNP-JTQLQIEISA-N 1 0 276.296 2.048 20 5 CEBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCCC1 ZINC000276790684 374301816 /nfs/dbraw/zinc/30/18/16/374301816.db2.gz WNIJULCSQKBWPU-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276952784 374358312 /nfs/dbraw/zinc/35/83/12/374358312.db2.gz UMSCITOSVFBBEM-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO CCOc1cc(C[N@H+](CC)CCOC)ccc1[N+](=O)[O-] ZINC000276963996 374361464 /nfs/dbraw/zinc/36/14/64/374361464.db2.gz VVKXVOQFJUCIAZ-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276917604 374347091 /nfs/dbraw/zinc/34/70/91/374347091.db2.gz OPFGPUIZZMTMBM-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000376487943 374707214 /nfs/dbraw/zinc/70/72/14/374707214.db2.gz ZIXKROWDRCJMFM-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000377234810 374818541 /nfs/dbraw/zinc/81/85/41/374818541.db2.gz AWJDQEFLQLQLFG-CQSZACIVSA-N 1 0 278.352 2.498 20 5 CEBDRO COc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382453215 375185869 /nfs/dbraw/zinc/18/58/69/375185869.db2.gz HDIMOFIYXJDKGT-VHSXEESVSA-N 1 0 265.313 2.285 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280378925 375188547 /nfs/dbraw/zinc/18/85/47/375188547.db2.gz ZEBRMCPTWRIJDE-UHFFFAOYSA-N 1 0 292.295 2.177 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000408463386 375488196 /nfs/dbraw/zinc/48/81/96/375488196.db2.gz BPRKZWYDHWNEKJ-MFKMUULPSA-N 1 0 294.330 2.049 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(N)c1 ZINC000282461884 375491574 /nfs/dbraw/zinc/49/15/74/375491574.db2.gz MXEYJKADDWKLQT-UHFFFAOYSA-N 1 0 286.335 2.247 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283934011 375782694 /nfs/dbraw/zinc/78/26/94/375782694.db2.gz FDZOYUGDSRDMDA-SNVBAGLBSA-N 1 0 281.356 2.236 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531714 375839486 /nfs/dbraw/zinc/83/94/86/375839486.db2.gz SCPCZIABWACTDU-IUODEOHRSA-N 1 0 296.367 2.489 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660906 375906254 /nfs/dbraw/zinc/90/62/54/375906254.db2.gz OVEQOPRYUFZZGO-MNOVXSKESA-N 1 0 292.339 2.152 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414665746 375907925 /nfs/dbraw/zinc/90/79/25/375907925.db2.gz VICFKIOGYAYYFN-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1ccc(CN2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414763149 375954339 /nfs/dbraw/zinc/95/43/39/375954339.db2.gz BLEGMIOGXFALES-FZMZJTMJSA-N 1 0 277.368 2.462 20 5 CEBDRO CC(=O)c1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000286457824 375959327 /nfs/dbraw/zinc/95/93/27/375959327.db2.gz SENGEVMBMIKDJN-UHFFFAOYSA-N 1 0 277.324 2.305 20 5 CEBDRO CC(=O)c1cc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286397324 375939228 /nfs/dbraw/zinc/93/92/28/375939228.db2.gz LJTASPUVLCVIGD-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000286713784 376043379 /nfs/dbraw/zinc/04/33/79/376043379.db2.gz WXRMAKBYHSGCNW-YERCRUGSSA-N 1 0 288.347 2.450 20 5 CEBDRO C[NH2+][C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261774987 190044033 /nfs/dbraw/zinc/04/40/33/190044033.db2.gz PNTGACMMBMQBEQ-QMMMGPOBSA-N 1 0 293.348 2.147 20 5 CEBDRO CC(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419004374 376377148 /nfs/dbraw/zinc/37/71/48/376377148.db2.gz OFDORPUFOPNKNG-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO [NH3+]CCN(C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000289668768 376438647 /nfs/dbraw/zinc/43/86/47/376438647.db2.gz DJCDMVPXTGCBKJ-LLVKDONJSA-N 1 0 281.381 2.113 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000420240091 376648731 /nfs/dbraw/zinc/64/87/31/376648731.db2.gz QPXLPHAFTAZNTB-MNOVXSKESA-N 1 0 293.323 2.063 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000312544121 376719722 /nfs/dbraw/zinc/71/97/22/376719722.db2.gz RDTUQGVOIDPKFO-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCCC1 ZINC000313417258 376745302 /nfs/dbraw/zinc/74/53/02/376745302.db2.gz WOAQJXVGKJZVSM-UHFFFAOYSA-N 1 0 281.360 2.017 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000313491100 376746750 /nfs/dbraw/zinc/74/67/50/376746750.db2.gz HKHPOSNJWUADNI-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422900010 376859131 /nfs/dbraw/zinc/85/91/31/376859131.db2.gz IQVUQJUTQIJOFR-CYBMUJFWSA-N 1 0 293.367 2.079 20 5 CEBDRO C[C@H](O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264701812 190129960 /nfs/dbraw/zinc/12/99/60/190129960.db2.gz IFWZCVAURHETIG-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180009 377093041 /nfs/dbraw/zinc/09/30/41/377093041.db2.gz DSMBHFFMZZQOCM-DGCLKSJQSA-N 1 0 293.367 2.396 20 5 CEBDRO Cc1ccc([C@H](C)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423287200 377217378 /nfs/dbraw/zinc/21/73/78/377217378.db2.gz KVRNJOBSTSZCTA-JTQLQIEISA-N 1 0 251.330 2.291 20 5 CEBDRO CCC(CC)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563705108 377280169 /nfs/dbraw/zinc/28/01/69/377280169.db2.gz DDAJTCGWFLDGNU-CYBMUJFWSA-N 1 0 296.367 2.360 20 5 CEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331124926 377291318 /nfs/dbraw/zinc/29/13/18/377291318.db2.gz OJOFCTSYKROBNA-GHMZBOCLSA-N 1 0 266.345 2.387 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820706 377297743 /nfs/dbraw/zinc/29/77/43/377297743.db2.gz KTVJFJHLXLJADP-FZMZJTMJSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425551294 377371919 /nfs/dbraw/zinc/37/19/19/377371919.db2.gz QJKHPTWHSPIMEG-MNOVXSKESA-N 1 0 287.323 2.263 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCO)cs2)c1 ZINC000264998056 190150822 /nfs/dbraw/zinc/15/08/22/190150822.db2.gz YVTHJAOYMHBGPP-UHFFFAOYSA-N 1 0 293.348 2.190 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564970549 377517683 /nfs/dbraw/zinc/51/76/83/377517683.db2.gz GGIZIKKPAUEHJH-ZJUUUORDSA-N 1 0 280.328 2.151 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265157666 190161778 /nfs/dbraw/zinc/16/17/78/190161778.db2.gz DARDXOSRDMLDPM-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000565198832 377601826 /nfs/dbraw/zinc/60/18/26/377601826.db2.gz HPGANTNPWFAHJO-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000288752707 249360549 /nfs/dbraw/zinc/36/05/49/249360549.db2.gz GQPSTYUUGIJFSB-JQWIXIFHSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293532229 377611460 /nfs/dbraw/zinc/61/14/60/377611460.db2.gz XFFVIRAYEKQQDN-AOOOYVTPSA-N 1 0 269.370 2.181 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313287840 249392412 /nfs/dbraw/zinc/39/24/12/249392412.db2.gz XWESNHVPIVNJCE-CDNLZTBQSA-N 1 0 291.351 2.098 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000567589090 377845788 /nfs/dbraw/zinc/84/57/88/377845788.db2.gz WKECIAIVBOZPIP-IMMZDGJCSA-N 1 0 287.363 2.293 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760579 377992364 /nfs/dbraw/zinc/99/23/64/377992364.db2.gz NQBWLCZAQDCQKP-FOSCPWQOSA-N 1 0 293.342 2.449 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000265974404 190219812 /nfs/dbraw/zinc/21/98/12/190219812.db2.gz CMLVCXMSPNKHRN-NSHDSACASA-N 1 0 294.311 2.033 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000295301661 378093335 /nfs/dbraw/zinc/09/33/35/378093335.db2.gz UYKIFKCIFVEIAX-ZDUSSCGKSA-N 1 0 280.324 2.131 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1F)C1COC1 ZINC000296067371 378408807 /nfs/dbraw/zinc/40/88/07/378408807.db2.gz PSFAASQDOMNHCH-UHFFFAOYSA-N 1 0 268.288 2.343 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000450455108 378427781 /nfs/dbraw/zinc/42/77/81/378427781.db2.gz NBLQKPXEXXHXBN-CQSZACIVSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346630711 217968276 /nfs/dbraw/zinc/96/82/76/217968276.db2.gz CHGQTNILQIXGTO-REPZICSESA-N 1 0 275.352 2.290 20 5 CEBDRO CC(C)[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000298701357 378805882 /nfs/dbraw/zinc/80/58/82/378805882.db2.gz VONFFDFGNPUAMT-CQSZACIVSA-N 1 0 296.367 2.453 20 5 CEBDRO COCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000299253482 378943796 /nfs/dbraw/zinc/94/37/96/378943796.db2.gz CSBFUNOHUDLIAL-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H](C)O ZINC000278587267 194058115 /nfs/dbraw/zinc/05/81/15/194058115.db2.gz GNDKDQJLTKEAOP-LLVKDONJSA-N 1 0 282.340 2.244 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CCSC2)c1 ZINC000278582522 194055127 /nfs/dbraw/zinc/05/51/27/194055127.db2.gz YQVRTZUTAHFBAT-LBPRGKRZSA-N 1 0 266.366 2.480 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170225 218144193 /nfs/dbraw/zinc/14/41/93/218144193.db2.gz NMMSMRBTHGMXCE-LLPBQKLSSA-N 1 0 275.352 2.279 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000347238621 218165566 /nfs/dbraw/zinc/16/55/66/218165566.db2.gz QLMAPDZKNVTOGM-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347354504 218202663 /nfs/dbraw/zinc/20/26/63/218202663.db2.gz RZYSGXJATWOBQF-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO CNC(=O)CC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356025 218203276 /nfs/dbraw/zinc/20/32/76/218203276.db2.gz KJOZRNBANJPDSZ-XFXZXTDPSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000299682539 379105675 /nfs/dbraw/zinc/10/56/75/379105675.db2.gz WCXCJOACJSKGRY-JTQLQIEISA-N 1 0 288.307 2.487 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000266456524 190258886 /nfs/dbraw/zinc/25/88/86/190258886.db2.gz YARXBYJILCDGDD-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000515671627 379235760 /nfs/dbraw/zinc/23/57/60/379235760.db2.gz PYZYNSJOAXWDCM-UHFFFAOYSA-N 1 0 275.352 2.298 20 5 CEBDRO C[C@H]([NH3+])C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000517903025 379378069 /nfs/dbraw/zinc/37/80/69/379378069.db2.gz GHSRWVOGMQADLO-JTQLQIEISA-N 1 0 290.367 2.126 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000457039496 379635639 /nfs/dbraw/zinc/63/56/39/379635639.db2.gz DOIHZERTYJVLDX-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000267085977 190302341 /nfs/dbraw/zinc/30/23/41/190302341.db2.gz ZNLMCJUFQRYIDS-LBPRGKRZSA-N 1 0 282.315 2.471 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457072504 379652751 /nfs/dbraw/zinc/65/27/51/379652751.db2.gz IYUDXSQJPLFPLP-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000267280761 190317546 /nfs/dbraw/zinc/31/75/46/190317546.db2.gz KSYYHVOUANBWAC-ZIAGYGMSSA-N 1 0 291.351 2.256 20 5 CEBDRO COC[C@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526124409 379705793 /nfs/dbraw/zinc/70/57/93/379705793.db2.gz BHNMDURBHYGNHN-LLVKDONJSA-N 1 0 264.325 2.235 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489393989 380183271 /nfs/dbraw/zinc/18/32/71/380183271.db2.gz CXZYDIDSBYVHRV-IUODEOHRSA-N 1 0 294.351 2.221 20 5 CEBDRO COCCOCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177145 285089460 /nfs/dbraw/zinc/08/94/60/285089460.db2.gz AFTGZIORHPKYEV-LBPRGKRZSA-N 1 0 282.340 2.299 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000350350321 219010724 /nfs/dbraw/zinc/01/07/24/219010724.db2.gz FONFTPNGLKTSLH-GFCCVEGCSA-N 1 0 264.325 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000094771845 285141427 /nfs/dbraw/zinc/14/14/27/285141427.db2.gz AJMMPXYKUAVMKI-SECBINFHSA-N 1 0 287.323 2.120 20 5 CEBDRO Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281175257 195136742 /nfs/dbraw/zinc/13/67/42/195136742.db2.gz YDTSWIKIBLDFMK-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412096735 533118018 /nfs/dbraw/zinc/11/80/18/533118018.db2.gz FZOGANLAJAMLTF-HNNXBMFYSA-N 1 0 292.335 2.370 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829813 285167007 /nfs/dbraw/zinc/16/70/07/285167007.db2.gz BQOTWVYMBDJZOC-WDEREUQCSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339717 184783955 /nfs/dbraw/zinc/78/39/55/184783955.db2.gz UGYOVFJWIDIXLE-LDYMZIIASA-N 1 0 297.742 2.058 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000283717079 195905679 /nfs/dbraw/zinc/90/56/79/195905679.db2.gz FRLMWVPLISCJTD-GFCCVEGCSA-N 1 0 278.356 2.463 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995712 195958647 /nfs/dbraw/zinc/95/86/47/195958647.db2.gz HOJOBAKNBKXYAN-IINYFYTJSA-N 1 0 281.356 2.499 20 5 CEBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000190933350 533259860 /nfs/dbraw/zinc/25/98/60/533259860.db2.gz RPTNVSBBOGVSQD-NEPJUHHUSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000418092717 533667873 /nfs/dbraw/zinc/66/78/73/533667873.db2.gz HYEJCWWJSMAKPG-NSHDSACASA-N 1 0 262.309 2.493 20 5 CEBDRO Cc1ccn(C[C@H]2CCCC[N@H+]2C(C)C)c(=O)c1[N+](=O)[O-] ZINC000413001516 394457006 /nfs/dbraw/zinc/45/70/06/394457006.db2.gz RXNSUBCMGSZUBX-CYBMUJFWSA-N 1 0 293.367 2.328 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413022736 394464322 /nfs/dbraw/zinc/46/43/22/394464322.db2.gz FTPWIQXPYNWRLM-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1c(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235327736 394482446 /nfs/dbraw/zinc/48/24/46/394482446.db2.gz XSRLPWLPMPAPLB-ZYHUDNBSSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000413231570 394508953 /nfs/dbraw/zinc/50/89/53/394508953.db2.gz BRKVYIMFYGKFON-VIFPVBQESA-N 1 0 280.303 2.191 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH]c2nccnc12 ZINC000356195956 394558916 /nfs/dbraw/zinc/55/89/16/394558916.db2.gz RYLBAAOPZKQQIP-UHFFFAOYSA-N 1 0 297.318 2.150 20 5 CEBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102367 394569941 /nfs/dbraw/zinc/56/99/41/394569941.db2.gz GLQDDCVWNXVQIC-FZMZJTMJSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1cc(NC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000308649298 394529843 /nfs/dbraw/zinc/52/98/43/394529843.db2.gz XDSVDDRQZHNAQH-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000090824859 394655670 /nfs/dbraw/zinc/65/56/70/394655670.db2.gz JMVYETFGBYIYSY-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(O)C1 ZINC000267294445 394675773 /nfs/dbraw/zinc/67/57/73/394675773.db2.gz AQOWPBIAMKUSRA-MFKMUULPSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1nc(N2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000268541568 394696782 /nfs/dbraw/zinc/69/67/82/394696782.db2.gz ZLJMYEUHZUTERY-LLVKDONJSA-N 1 0 287.323 2.405 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015635 394708079 /nfs/dbraw/zinc/70/80/79/394708079.db2.gz YIZPOGDLJSNZFJ-ZWNOBZJWSA-N 1 0 282.365 2.113 20 5 CEBDRO COc1ccc(CN[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414830448 394757742 /nfs/dbraw/zinc/75/77/42/394757742.db2.gz AZPDPYMOJGQHCA-LBPRGKRZSA-N 1 0 281.356 2.066 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000359560777 394761669 /nfs/dbraw/zinc/76/16/69/394761669.db2.gz ACMFMPMANFBFFW-WDEREUQCSA-N 1 0 281.360 2.014 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422756483 394762233 /nfs/dbraw/zinc/76/22/33/394762233.db2.gz LOHJNSCQHZDUMN-NSHDSACASA-N 1 0 291.351 2.152 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272249926 394768982 /nfs/dbraw/zinc/76/89/82/394768982.db2.gz YBBGAANEJSETNB-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@H](NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422778591 394777392 /nfs/dbraw/zinc/77/73/92/394777392.db2.gz ATVSHZVMSUQOCE-GXTWGEPZSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000272983169 394780141 /nfs/dbraw/zinc/78/01/41/394780141.db2.gz PHFCCQAIIZDGBC-LLVKDONJSA-N 1 0 276.340 2.361 20 5 CEBDRO C[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCC[NH2+]C1 ZINC000414914180 394802132 /nfs/dbraw/zinc/80/21/32/394802132.db2.gz XKXPMESUZSFAAH-AWEZNQCLSA-N 1 0 281.331 2.213 20 5 CEBDRO CC[N@@H+]1CCCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275467651 394807596 /nfs/dbraw/zinc/80/75/96/394807596.db2.gz NTBWSBPGSOOFJU-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)c1 ZINC000275539803 394807890 /nfs/dbraw/zinc/80/78/90/394807890.db2.gz ZYOCKGFQMHTQJX-UHFFFAOYSA-N 1 0 279.340 2.037 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414934787 394811049 /nfs/dbraw/zinc/81/10/49/394811049.db2.gz YEPDKDFAEOUBSZ-STQMWFEESA-N 1 0 293.367 2.353 20 5 CEBDRO Cc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414949816 394818724 /nfs/dbraw/zinc/81/87/24/394818724.db2.gz GUWGCINAFISUQZ-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H](CN)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949168 394819628 /nfs/dbraw/zinc/81/96/28/394819628.db2.gz YZOYHZFTDLFZRD-OBJOEFQTSA-N 1 0 277.368 2.243 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000415052031 394864982 /nfs/dbraw/zinc/86/49/82/394864982.db2.gz GSLNWBGGMVSLGM-LBPRGKRZSA-N 1 0 269.320 2.197 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000414962393 394827344 /nfs/dbraw/zinc/82/73/44/394827344.db2.gz WMSUZIOENMKACM-BXUZGUMPSA-N 1 0 293.367 2.224 20 5 CEBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365432931 394925320 /nfs/dbraw/zinc/92/53/20/394925320.db2.gz OTOFFWOIVHIFRZ-SNVBAGLBSA-N 1 0 264.329 2.093 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482808 394930397 /nfs/dbraw/zinc/93/03/97/394930397.db2.gz RBLQMRDDSWDBGX-JOYOIKCWSA-N 1 0 285.294 2.243 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415448148 394933259 /nfs/dbraw/zinc/93/32/59/394933259.db2.gz XNBYKIJMCXUCIA-CMPLNLGQSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415582977 394946072 /nfs/dbraw/zinc/94/60/72/394946072.db2.gz QDUXPRHGSPFJIO-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377573 394985111 /nfs/dbraw/zinc/98/51/11/394985111.db2.gz ULDMWEFMAYGISA-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286394996 395021772 /nfs/dbraw/zinc/02/17/72/395021772.db2.gz PDUNVWWSPOVCCR-YPMHNXCESA-N 1 0 290.367 2.361 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286532606 395024465 /nfs/dbraw/zinc/02/44/65/395024465.db2.gz TUPLSNWTQUVISU-JTQLQIEISA-N 1 0 299.321 2.257 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423683887 394964661 /nfs/dbraw/zinc/96/46/61/394964661.db2.gz QPXDUKMMYAAEMV-UWVGGRQHSA-N 1 0 279.340 2.184 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520974 395087898 /nfs/dbraw/zinc/08/78/98/395087898.db2.gz PPAHYBISQVJMBD-RAALSFIWSA-N 1 0 270.354 2.012 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375048483 395090011 /nfs/dbraw/zinc/09/00/11/395090011.db2.gz ILXKXVRRVSTXQM-NOZJJQNGSA-N 1 0 297.305 2.403 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375051815 395090410 /nfs/dbraw/zinc/09/04/10/395090410.db2.gz XEEASZBEYQSVFR-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000343462192 395039267 /nfs/dbraw/zinc/03/92/67/395039267.db2.gz SYJLBVOLKSXKGB-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000494211869 395099507 /nfs/dbraw/zinc/09/95/07/395099507.db2.gz JACCKASJXCOCAN-NSHDSACASA-N 1 0 252.314 2.418 20 5 CEBDRO CCC1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291859960 395177397 /nfs/dbraw/zinc/17/73/97/395177397.db2.gz KDGIFHCQUOYLDT-ZDUSSCGKSA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c(F)c1 ZINC000438908355 395236266 /nfs/dbraw/zinc/23/62/66/395236266.db2.gz UTUYZXNQMKOZBQ-BNOWGMLFSA-N 1 0 280.299 2.391 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292345725 395192645 /nfs/dbraw/zinc/19/26/45/395192645.db2.gz QJJMKOUHSWUMTG-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000295216434 395290576 /nfs/dbraw/zinc/29/05/76/395290576.db2.gz MEGBJDVVPCWHIF-SECBINFHSA-N 1 0 291.307 2.198 20 5 CEBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358231 395298496 /nfs/dbraw/zinc/29/84/96/395298496.db2.gz DQLGFKROSCVHBZ-VXGBXAGGSA-N 1 0 291.351 2.163 20 5 CEBDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420642664 395399712 /nfs/dbraw/zinc/39/97/12/395399712.db2.gz WKKUHEXBVJMILX-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000420636382 395395262 /nfs/dbraw/zinc/39/52/62/395395262.db2.gz NHEAANWGSYGPMK-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1cccc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420642270 395399998 /nfs/dbraw/zinc/39/99/98/395399998.db2.gz VQKQPVUIEHYAGL-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420336875 395335113 /nfs/dbraw/zinc/33/51/13/395335113.db2.gz QIKBPVVWHMKLAE-BXUZGUMPSA-N 1 0 281.331 2.289 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411938989 395342178 /nfs/dbraw/zinc/34/21/78/395342178.db2.gz NCQPMNKIMBIILY-VXGBXAGGSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444686838 395445681 /nfs/dbraw/zinc/44/56/81/395445681.db2.gz XXUQJAYUXXRHBP-ZANVPECISA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444686837 395445635 /nfs/dbraw/zinc/44/56/35/395445635.db2.gz XXUQJAYUXXRHBP-TVQRCGJNSA-N 1 0 290.323 2.128 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000045693402 400158458 /nfs/dbraw/zinc/15/84/58/400158458.db2.gz GSHYWSRKXNSBDG-SNVBAGLBSA-N 1 0 271.386 2.476 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191407 400242284 /nfs/dbraw/zinc/24/22/84/400242284.db2.gz UZWYTUKFQFXPGE-RISCZKNCSA-N 1 0 263.341 2.297 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193602457 153237926 /nfs/dbraw/zinc/23/79/26/153237926.db2.gz WCAGJHXKQIITNO-BNOWGMLFSA-N 1 0 275.352 2.149 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000195527355 153290888 /nfs/dbraw/zinc/29/08/88/153290888.db2.gz UTRRYUJITMADRX-UHFFFAOYSA-N 1 0 265.313 2.264 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223191110 153315752 /nfs/dbraw/zinc/31/57/52/153315752.db2.gz VIDSNXZHOPATRX-SMDDNHRTSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000223245352 153316001 /nfs/dbraw/zinc/31/60/01/153316001.db2.gz PZZNQGUMHOENLC-UHFFFAOYSA-N 1 0 281.381 2.364 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000227526602 153345800 /nfs/dbraw/zinc/34/58/00/153345800.db2.gz MYLUKMMUTQJBRG-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860877 153355106 /nfs/dbraw/zinc/35/51/06/153355106.db2.gz MPWXUSVEWIRCFE-QMMMGPOBSA-N 1 0 271.292 2.010 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000234831796 153427133 /nfs/dbraw/zinc/42/71/33/153427133.db2.gz MNWGIXSHEUHHDY-ZIAGYGMSSA-N 1 0 294.351 2.377 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262889784 153990635 /nfs/dbraw/zinc/99/06/35/153990635.db2.gz CLWGPORJNHBLJT-DZGCQCFKSA-N 1 0 291.351 2.119 20 5 CEBDRO CO[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662440 155100484 /nfs/dbraw/zinc/10/04/84/155100484.db2.gz GSAHZJQWWVCYDU-VOKGJARPSA-N 1 0 292.335 2.003 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCO3)CC2)c1 ZINC000367093525 156128674 /nfs/dbraw/zinc/12/86/74/156128674.db2.gz LCTGBGNUMRTCNH-UHFFFAOYSA-N 1 0 292.335 2.229 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455325381 289450901 /nfs/dbraw/zinc/45/09/01/289450901.db2.gz FRYIWMRKHSBEJZ-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000530495451 298074333 /nfs/dbraw/zinc/07/43/33/298074333.db2.gz LYXACRGZBGYDHL-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376008542 157173309 /nfs/dbraw/zinc/17/33/09/157173309.db2.gz SGAPCFLRSBAMLB-HUUCEWRRSA-N 1 0 292.335 2.227 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000376494290 157233061 /nfs/dbraw/zinc/23/30/61/157233061.db2.gz DPIAJVPOYFGIAA-VDKLAZJHSA-N 1 0 274.320 2.471 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000543417823 298307843 /nfs/dbraw/zinc/30/78/43/298307843.db2.gz DFKQADIMVDRSEQ-ADWYPQAOSA-N 1 0 284.381 2.321 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237457872 286825478 /nfs/dbraw/zinc/82/54/78/286825478.db2.gz GREQXUUZVOPKNI-JTQLQIEISA-N 1 0 293.367 2.312 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080492 165036264 /nfs/dbraw/zinc/03/62/64/165036264.db2.gz RBAZAMSJUSLGDM-DTWKUNHWSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005453103 170100642 /nfs/dbraw/zinc/10/06/42/170100642.db2.gz GAJGQHIVEQLXMZ-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020125482 171008538 /nfs/dbraw/zinc/00/85/38/171008538.db2.gz VCLGASFUFZBDMR-LLVKDONJSA-N 1 0 279.340 2.018 20 5 CEBDRO CCC[C@@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188651 171053319 /nfs/dbraw/zinc/05/33/19/171053319.db2.gz UBVRZAUTIGBKRT-CYBMUJFWSA-N 1 0 252.314 2.408 20 5 CEBDRO CCOCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020552934 171248288 /nfs/dbraw/zinc/24/82/88/171248288.db2.gz ZJTALVNSYDNQFO-UHFFFAOYSA-N 1 0 268.313 2.120 20 5 CEBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035274162 172093955 /nfs/dbraw/zinc/09/39/55/172093955.db2.gz CFCXOQFGCPVWPX-AWEZNQCLSA-N 1 0 286.335 2.496 20 5 CEBDRO CO[C@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285206965 196220390 /nfs/dbraw/zinc/22/03/90/196220390.db2.gz DIPDCNAQTQAKEI-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000285270539 196237387 /nfs/dbraw/zinc/23/73/87/196237387.db2.gz DTLRZBXDNLWQTJ-TXEJJXNPSA-N 1 0 280.324 2.083 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000285395453 196270953 /nfs/dbraw/zinc/27/09/53/196270953.db2.gz ASNJCPQUUSDUSI-GWCFXTLKSA-N 1 0 266.366 2.478 20 5 CEBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000037395893 173175880 /nfs/dbraw/zinc/17/58/80/173175880.db2.gz KBVFNOHULYAUQE-UHFFFAOYSA-N 1 0 295.339 2.320 20 5 CEBDRO CC[C@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751812 173675642 /nfs/dbraw/zinc/67/56/42/173675642.db2.gz JTCAZXOYTNYNRB-ZDUSSCGKSA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044863 174052688 /nfs/dbraw/zinc/05/26/88/174052688.db2.gz YNNUGZLEHNXKNZ-CYBMUJFWSA-N 1 0 264.325 2.419 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCCO1 ZINC000044417539 175173304 /nfs/dbraw/zinc/17/33/04/175173304.db2.gz CHMMXVVEIWTKQS-GFCCVEGCSA-N 1 0 250.298 2.254 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070573915 175989194 /nfs/dbraw/zinc/98/91/94/175989194.db2.gz TWPXREBAJKNYLO-GHMZBOCLSA-N 1 0 277.324 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000077204331 177232575 /nfs/dbraw/zinc/23/25/75/177232575.db2.gz OPYZDTKBHOQJOP-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(=O)NCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000566796760 299022644 /nfs/dbraw/zinc/02/26/44/299022644.db2.gz IIWXHJLSLHIFOB-XFXZXTDPSA-N 1 0 291.351 2.066 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216265511 262022817 /nfs/dbraw/zinc/02/28/17/262022817.db2.gz IZXKISDZTOFTRX-UJZCVKTISA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000311405392 262247497 /nfs/dbraw/zinc/24/74/97/262247497.db2.gz HBHFJYQDQDKBRW-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCn2ccnc2)cc1 ZINC000044353213 270229370 /nfs/dbraw/zinc/22/93/70/270229370.db2.gz RCXOQLAUNJZOCW-UHFFFAOYSA-N 1 0 274.324 2.361 20 5 CEBDRO CCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000237138033 270320089 /nfs/dbraw/zinc/32/00/89/270320089.db2.gz ZSDGYJZVERKKPG-MFKMUULPSA-N 1 0 291.351 2.109 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000322514430 270335183 /nfs/dbraw/zinc/33/51/83/270335183.db2.gz JULANKGDZGBBNP-CYBMUJFWSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227197 270352832 /nfs/dbraw/zinc/35/28/32/270352832.db2.gz CPEKQQRLNHPHMG-YRGRVCCFSA-N 1 0 277.368 2.400 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397354178 270353374 /nfs/dbraw/zinc/35/33/74/270353374.db2.gz DLVJLFRUUSXMLK-GRYCIOLGSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397354181 270353678 /nfs/dbraw/zinc/35/36/78/270353678.db2.gz DLVJLFRUUSXMLK-IJLUTSLNSA-N 1 0 291.351 2.040 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420244947 270493156 /nfs/dbraw/zinc/49/31/56/270493156.db2.gz ZCHXLZJQDBIHGT-NXEZZACHSA-N 1 0 287.323 2.220 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000420361728 270525733 /nfs/dbraw/zinc/52/57/33/270525733.db2.gz IIGSCKVSMSAJDA-GYSYKLTISA-N 1 0 263.341 2.071 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000421361613 270609299 /nfs/dbraw/zinc/60/92/99/270609299.db2.gz LDYQXHFKHRFPTE-WCQYABFASA-N 1 0 278.352 2.354 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422791869 270770726 /nfs/dbraw/zinc/77/07/26/270770726.db2.gz VLQMEWSLZNUYDU-GFCCVEGCSA-N 1 0 291.351 2.200 20 5 CEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423631606 270928415 /nfs/dbraw/zinc/92/84/15/270928415.db2.gz MUZTWCUYXAWKBF-SNVBAGLBSA-N 1 0 279.340 2.056 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423739936 270934934 /nfs/dbraw/zinc/93/49/34/270934934.db2.gz IRLVJCLIVQDNQZ-NWDGAFQWSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000424336722 271047701 /nfs/dbraw/zinc/04/77/01/271047701.db2.gz YMCLMBHFNAKVDD-ADSMDIBLSA-N 1 0 290.363 2.419 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425360973 271159395 /nfs/dbraw/zinc/15/93/95/271159395.db2.gz WSTGJROCPUSCRX-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063192878 274736750 /nfs/dbraw/zinc/73/67/50/274736750.db2.gz RJCBQOADRXOUKH-WCQYABFASA-N 1 0 291.351 2.245 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272232335 277147279 /nfs/dbraw/zinc/14/72/79/277147279.db2.gz UXKDWTZPLPQWPA-BXKDBHETSA-N 1 0 296.758 2.174 20 5 CEBDRO CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340205003 277530222 /nfs/dbraw/zinc/53/02/22/277530222.db2.gz RJVXRUCVYLZTKF-STQMWFEESA-N 1 0 281.381 2.077 20 5 CEBDRO CC(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359460851 278037040 /nfs/dbraw/zinc/03/70/40/278037040.db2.gz XVKUDUFIVFCHQS-OKILXGFUSA-N 1 0 289.379 2.369 20 5 CEBDRO C[C@@H](CN)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949171 278251009 /nfs/dbraw/zinc/25/10/09/278251009.db2.gz YZOYHZFTDLFZRD-SCRDCRAPSA-N 1 0 277.368 2.243 20 5 CEBDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000036319108 278336972 /nfs/dbraw/zinc/33/69/72/278336972.db2.gz SWAMSLCICSQFPW-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000286412974 279088846 /nfs/dbraw/zinc/08/88/46/279088846.db2.gz MHGZHMHAFWVOQJ-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000269077828 279091109 /nfs/dbraw/zinc/09/11/09/279091109.db2.gz CKSDUYNNPBUGKU-JSGCOSHPSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174852304 279134364 /nfs/dbraw/zinc/13/43/64/279134364.db2.gz BEBRMSPDXLMALL-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049075945 279386517 /nfs/dbraw/zinc/38/65/17/279386517.db2.gz IWSSRRFRQGSQQQ-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000189291246 279486494 /nfs/dbraw/zinc/48/64/94/279486494.db2.gz AUSUKQGCQDDFIA-MJVIPROJSA-N 1 0 264.325 2.406 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000089091241 279642374 /nfs/dbraw/zinc/64/23/74/279642374.db2.gz RLGVWFYFGAPQSP-GZMMTYOYSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127769869 279871697 /nfs/dbraw/zinc/87/16/97/279871697.db2.gz QXBHWLPKDFAEHL-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130197843 279931536 /nfs/dbraw/zinc/93/15/36/279931536.db2.gz FBEJQAQULCGGAJ-RYUDHWBXSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000246295326 280285900 /nfs/dbraw/zinc/28/59/00/280285900.db2.gz CRJTVVOOGSPLSC-ZKYQVNSYSA-N 1 0 264.325 2.467 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)c1 ZINC000397911699 280687501 /nfs/dbraw/zinc/68/75/01/280687501.db2.gz GLHSJAMZRZTADD-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051839 280942400 /nfs/dbraw/zinc/94/24/00/280942400.db2.gz VXDQKSZQKKLZRK-VXGBXAGGSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000245521970 281020428 /nfs/dbraw/zinc/02/04/28/281020428.db2.gz LERWPGYMFRECPO-RISCZKNCSA-N 1 0 264.325 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000182825297 281021988 /nfs/dbraw/zinc/02/19/88/281021988.db2.gz LERWPGYMFRECPO-SMDDNHRTSA-N 1 0 264.325 2.421 20 5 CEBDRO Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000439660284 281525286 /nfs/dbraw/zinc/52/52/86/281525286.db2.gz XOPBYQIMZZGIED-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597333 281844237 /nfs/dbraw/zinc/84/42/37/281844237.db2.gz FCAMXJSSXDRNDP-QWHCGFSZSA-N 1 0 296.371 2.290 20 5 CEBDRO CC(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153270362 289109480 /nfs/dbraw/zinc/10/94/80/289109480.db2.gz HJACUFBVHJSAGO-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[NH+](C)CCSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000157750383 289220821 /nfs/dbraw/zinc/22/08/21/289220821.db2.gz PMZAIPACTPZJND-UHFFFAOYSA-N 1 0 298.364 2.256 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000305656988 289272751 /nfs/dbraw/zinc/27/27/51/289272751.db2.gz PUXJAYLLJSKIIY-HUUCEWRRSA-N 1 0 276.336 2.256 20 5 CEBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000459617556 290195947 /nfs/dbraw/zinc/19/59/47/290195947.db2.gz RAWGXSLXNZRMOP-WCQYABFASA-N 1 0 266.345 2.350 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCSCC2)cs1 ZINC000459720951 290216616 /nfs/dbraw/zinc/21/66/16/290216616.db2.gz GPTKVOQEEJVQDO-UHFFFAOYSA-N 1 0 288.394 2.004 20 5 CEBDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000558138515 298582894 /nfs/dbraw/zinc/58/28/94/298582894.db2.gz KBLPQSKXBDEJSI-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000563952141 298811010 /nfs/dbraw/zinc/81/10/10/298811010.db2.gz PCUWKKOLQSXRKU-HAQNSBGRSA-N 1 0 294.351 2.231 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168521076 298901726 /nfs/dbraw/zinc/90/17/26/298901726.db2.gz PPAHYBISQVJMBD-JJQCHNSYSA-N 1 0 270.354 2.012 20 5 CEBDRO CC[C@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000566557087 299002343 /nfs/dbraw/zinc/00/23/43/299002343.db2.gz NWPYNBMMUINTCY-AWEZNQCLSA-N 1 0 266.341 2.278 20 5 CEBDRO Cc1cccc(C(=O)NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000170796125 312664302 /nfs/dbraw/zinc/66/43/02/312664302.db2.gz IOJDOMVSZSLFDK-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC(C)=CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564651108 313771953 /nfs/dbraw/zinc/77/19/53/313771953.db2.gz KCOZGZWIFLZIDM-CQSZACIVSA-N 1 0 294.351 2.280 20 5 CEBDRO CON1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569708180 314011596 /nfs/dbraw/zinc/01/15/96/314011596.db2.gz JHRYRMZODUGSFD-CQSZACIVSA-N 1 0 291.351 2.198 20 5 CEBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581175 314097962 /nfs/dbraw/zinc/09/79/62/314097962.db2.gz JMBSJKRDZYXYRX-UKRRQHHQSA-N 1 0 276.336 2.333 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]12 ZINC000573098925 314140847 /nfs/dbraw/zinc/14/08/47/314140847.db2.gz TVNDRCTVLWTCBB-JHJVBQTASA-N 1 0 298.346 2.317 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577209351 314352526 /nfs/dbraw/zinc/35/25/26/314352526.db2.gz KBBLOUKPBBIHRP-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)O ZINC000577389108 314372118 /nfs/dbraw/zinc/37/21/18/314372118.db2.gz VUNMTCRLGOIBND-XDTLVQLUSA-N 1 0 264.325 2.331 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000381825850 321837358 /nfs/dbraw/zinc/83/73/58/321837358.db2.gz WVSZUWSAUNEIED-WDSKDSINSA-N 1 0 278.234 2.156 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]3)CC2)c2ccncc21 ZINC000580311404 322310036 /nfs/dbraw/zinc/31/00/36/322310036.db2.gz CQBKHMLEYPAVRN-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000580704771 322336876 /nfs/dbraw/zinc/33/68/76/322336876.db2.gz IUYJJKONHNRSJP-UHFFFAOYSA-N 1 0 275.352 2.483 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000582168480 322451930 /nfs/dbraw/zinc/45/19/30/322451930.db2.gz TXXODNABZJCZLD-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415050866 534137471 /nfs/dbraw/zinc/13/74/71/534137471.db2.gz DHUHERIBPKHYRN-IKHFIWMDSA-N 1 0 261.325 2.030 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000387339685 517828208 /nfs/dbraw/zinc/82/82/08/517828208.db2.gz DZSMOHNSNCUYAZ-NRUUGDAUSA-N 1 0 252.314 2.405 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000063169176 522039556 /nfs/dbraw/zinc/03/95/56/522039556.db2.gz WDZKZOYGYPMETN-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000155797376 522946294 /nfs/dbraw/zinc/94/62/94/522946294.db2.gz ZFXWVBBYOJCLOG-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000125224718 649875140 /nfs/dbraw/zinc/87/51/40/649875140.db2.gz MVKHILJMPMOTAI-GFCCVEGCSA-N 1 0 292.364 2.339 20 5 CEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748241575 574437883 /nfs/dbraw/zinc/43/78/83/574437883.db2.gz AETIERQXNOEKQW-LBPRGKRZSA-N 1 0 286.353 2.478 20 5 CEBDRO CC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000729629213 574490083 /nfs/dbraw/zinc/49/00/83/574490083.db2.gz SZFQNVLXOYTWRR-UHFFFAOYSA-N 1 0 292.364 2.346 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000742427115 575021251 /nfs/dbraw/zinc/02/12/51/575021251.db2.gz DUEJRMZSYLIVEC-VIFPVBQESA-N 1 0 295.368 2.200 20 5 CEBDRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000746392057 575155529 /nfs/dbraw/zinc/15/55/29/575155529.db2.gz RRLKOPLLBOVHFI-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000749392589 575217622 /nfs/dbraw/zinc/21/76/22/575217622.db2.gz PMGHTULLEJYTIF-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CCC[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749949248 575241346 /nfs/dbraw/zinc/24/13/46/575241346.db2.gz MVZXATNGHHOSHO-UHFFFAOYSA-N 1 0 277.328 2.337 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050373048 623404063 /nfs/dbraw/zinc/40/40/63/623404063.db2.gz KIIXFUPSTQNDQC-UONOGXRCSA-N 1 0 264.325 2.294 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000891603609 623820678 /nfs/dbraw/zinc/82/06/78/623820678.db2.gz ZPWWZOICKRWSDK-JTQLQIEISA-N 1 0 298.364 2.246 20 5 CEBDRO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235671772 625704760 /nfs/dbraw/zinc/70/47/60/625704760.db2.gz NNXMTXFSNFDBJX-ZETCQYMHSA-N 1 0 273.695 2.185 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934038617 624184463 /nfs/dbraw/zinc/18/44/63/624184463.db2.gz FEPFOQBYXJIZGM-KCPJHIHWSA-N 1 0 294.351 2.358 20 5 CEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891979940 624224539 /nfs/dbraw/zinc/22/45/39/624224539.db2.gz XYUVEWVTFZHLEK-IJLUTSLNSA-N 1 0 295.387 2.107 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124018 624246368 /nfs/dbraw/zinc/24/63/68/624246368.db2.gz GSDDEWIFNKPZPE-QWHCGFSZSA-N 1 0 250.298 2.204 20 5 CEBDRO CCCCOCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158627787 624578752 /nfs/dbraw/zinc/57/87/52/624578752.db2.gz IMTAISFTWYHAET-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000892288494 624643128 /nfs/dbraw/zinc/64/31/28/624643128.db2.gz QNPFCTICXPJDAU-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000235860477 625778420 /nfs/dbraw/zinc/77/84/20/625778420.db2.gz SJGSZCSYVWHXTH-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000235884764 625782135 /nfs/dbraw/zinc/78/21/35/625782135.db2.gz XRIHPXPVVZSIOD-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO CCNc1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000902340557 634581441 /nfs/dbraw/zinc/58/14/41/634581441.db2.gz XDPABJPRGANWMO-UHFFFAOYSA-N 1 0 289.339 2.013 20 5 CEBDRO C[C@@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833694 627718052 /nfs/dbraw/zinc/71/80/52/627718052.db2.gz BGDJOGJQVANBGR-FOGDFJRCSA-N 1 0 250.298 2.280 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081554780 628179904 /nfs/dbraw/zinc/17/99/04/628179904.db2.gz QNLPPOKTCMVWBB-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902429025 634650358 /nfs/dbraw/zinc/65/03/58/634650358.db2.gz JJIDYFXBEBDGDZ-BZPMIXESSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000776592015 628500029 /nfs/dbraw/zinc/50/00/29/628500029.db2.gz OIWANGSANVJIAP-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000313494321 628610612 /nfs/dbraw/zinc/61/06/12/628610612.db2.gz IBKSCIMPPYTMHI-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000305967172 628834410 /nfs/dbraw/zinc/83/44/10/628834410.db2.gz JIRVTMIVMNQQBV-SNVBAGLBSA-N 1 0 252.314 2.498 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261633195 628953612 /nfs/dbraw/zinc/95/36/12/628953612.db2.gz WCWSMWGYBBHWRQ-ZDUSSCGKSA-N 1 0 283.759 2.419 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000894558916 629526859 /nfs/dbraw/zinc/52/68/59/629526859.db2.gz DADBGQVNQCCAKZ-LLVKDONJSA-N 1 0 293.371 2.147 20 5 CEBDRO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@@H](C)OC ZINC000894576691 629541401 /nfs/dbraw/zinc/54/14/01/629541401.db2.gz DMIHQPINXNBYRO-SNVBAGLBSA-N 1 0 298.339 2.166 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000894804700 629643781 /nfs/dbraw/zinc/64/37/81/629643781.db2.gz PIXCVARUFAYCKB-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000895139509 629951159 /nfs/dbraw/zinc/95/11/59/629951159.db2.gz MVSKWUSRARONOD-NSHDSACASA-N 1 0 280.324 2.192 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)CCF ZINC000895177549 630006586 /nfs/dbraw/zinc/00/65/86/630006586.db2.gz GQWOMFOTKKWWSO-SNVBAGLBSA-N 1 0 276.695 2.058 20 5 CEBDRO C[C@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734963 630324577 /nfs/dbraw/zinc/32/45/77/630324577.db2.gz BGVRMODGSCBMOK-CMPLNLGQSA-N 1 0 286.335 2.069 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151955 631091591 /nfs/dbraw/zinc/09/15/91/631091591.db2.gz FWLBHTOMPIZWHM-PWSUYJOCSA-N 1 0 287.323 2.024 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526774 631282842 /nfs/dbraw/zinc/28/28/42/631282842.db2.gz XBVIKJGPUVXMBU-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](C[NH2+]C1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897458552 631529541 /nfs/dbraw/zinc/52/95/41/631529541.db2.gz AXJINPSBNOCYMN-BMTQXLHTSA-N 1 0 296.392 2.199 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465763 631532175 /nfs/dbraw/zinc/53/21/75/631532175.db2.gz HWDYOXGLYZLXJJ-NQBHXWOUSA-N 1 0 264.325 2.465 20 5 CEBDRO CO[C@]1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000897465285 631532237 /nfs/dbraw/zinc/53/22/37/631532237.db2.gz VHLLJSIZMNRFIM-DOMZBBRYSA-N 1 0 294.351 2.093 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530272 631670706 /nfs/dbraw/zinc/67/07/06/631670706.db2.gz GBLJEVJROPOBPJ-UHFFFAOYSA-N 1 0 276.336 2.380 20 5 CEBDRO C[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CC1 ZINC000804375052 631671335 /nfs/dbraw/zinc/67/13/35/631671335.db2.gz KVKMKKIDEIGLIM-UHFFFAOYSA-N 1 0 280.284 2.009 20 5 CEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC[NH3+])no1 ZINC000843130377 631773936 /nfs/dbraw/zinc/77/39/36/631773936.db2.gz IWDXBBSELUSIFP-MRVPVSSYSA-N 1 0 294.336 2.332 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC(CCO)C1 ZINC000898016165 632016064 /nfs/dbraw/zinc/01/60/64/632016064.db2.gz YVWIIUDDYXESFF-UHFFFAOYSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1Cl ZINC000898204231 632085162 /nfs/dbraw/zinc/08/51/62/632085162.db2.gz QJIVNXRLFUYKHF-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809725835 632133821 /nfs/dbraw/zinc/13/38/21/632133821.db2.gz CHUCKYNMQXXSEQ-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO Cc1csc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1 ZINC000809734592 632134669 /nfs/dbraw/zinc/13/46/69/632134669.db2.gz IGJGRSWMRMCUOZ-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO Cc1cc(Br)cc(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905074230 635813716 /nfs/dbraw/zinc/81/37/16/635813716.db2.gz FNMMWICOMZYTMJ-UHFFFAOYSA-N 1 0 287.157 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000898385015 632476361 /nfs/dbraw/zinc/47/63/61/632476361.db2.gz BICJOWCTFKFBSI-KBPBESRZSA-N 1 0 262.309 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000898385016 632476679 /nfs/dbraw/zinc/47/66/79/632476679.db2.gz BICJOWCTFKFBSI-KGLIPLIRSA-N 1 0 262.309 2.109 20 5 CEBDRO COc1ccc(C[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000898434809 632495629 /nfs/dbraw/zinc/49/56/29/632495629.db2.gz AANCUMWBJSACSD-GORDUTHDSA-N 1 0 256.689 2.446 20 5 CEBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000812298417 632504314 /nfs/dbraw/zinc/50/43/14/632504314.db2.gz MLXBPGXLGMWUBO-CYBMUJFWSA-N 1 0 290.323 2.013 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+](C)C ZINC000813613506 632717328 /nfs/dbraw/zinc/71/73/28/632717328.db2.gz FCAWRIOEMJWPLQ-SECBINFHSA-N 1 0 282.300 2.113 20 5 CEBDRO C[C@H](NC(=[NH2+])NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000899266694 632763975 /nfs/dbraw/zinc/76/39/75/632763975.db2.gz URNBXYZFRAFMAF-VIFPVBQESA-N 1 0 262.313 2.007 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)CO ZINC000814169915 632797772 /nfs/dbraw/zinc/79/77/72/632797772.db2.gz OLIGHPFCWKXXOL-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO CC(C)CCOCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818982137 634027623 /nfs/dbraw/zinc/02/76/23/634027623.db2.gz GQHZKBWYBFNITH-HNNXBMFYSA-N 1 0 296.367 2.281 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCSCC2)c1 ZINC000818995552 634033148 /nfs/dbraw/zinc/03/31/48/634033148.db2.gz XTMNVFSSQWOQJU-CYBMUJFWSA-N 1 0 282.365 2.113 20 5 CEBDRO CC1(C)C[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819061449 634056854 /nfs/dbraw/zinc/05/68/54/634056854.db2.gz VWNGEVOJXJXHAM-YPMHNXCESA-N 1 0 264.325 2.264 20 5 CEBDRO CC1(C)C[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819061444 634056949 /nfs/dbraw/zinc/05/69/49/634056949.db2.gz VWNGEVOJXJXHAM-AAEUAGOBSA-N 1 0 264.325 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)C2CC2)cc1 ZINC000819091524 634065313 /nfs/dbraw/zinc/06/53/13/634065313.db2.gz HEUDHKKVVWGDHC-HNNXBMFYSA-N 1 0 278.352 2.278 20 5 CEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105549 634069901 /nfs/dbraw/zinc/06/99/01/634069901.db2.gz HBFOTQXUUWFIOT-FZMZJTMJSA-N 1 0 296.367 2.421 20 5 CEBDRO CC[NH2+]Cc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398391 634091210 /nfs/dbraw/zinc/09/12/10/634091210.db2.gz RNBRRJCZEDADPK-UHFFFAOYSA-N 1 0 291.263 2.088 20 5 CEBDRO CC(C)OCCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222688 634109349 /nfs/dbraw/zinc/10/93/49/634109349.db2.gz VBKWJRNQZJQNMG-HNNXBMFYSA-N 1 0 296.367 2.423 20 5 CEBDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819247924 634116070 /nfs/dbraw/zinc/11/60/70/634116070.db2.gz RROXNFCHLDQEQX-UONOGXRCSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819341740 634147054 /nfs/dbraw/zinc/14/70/54/634147054.db2.gz SYJMSALCTHQSQA-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000819370465 634159567 /nfs/dbraw/zinc/15/95/67/634159567.db2.gz SKMSSAXCRKROBQ-MCIONIFRSA-N 1 0 282.315 2.499 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000819371619 634159721 /nfs/dbraw/zinc/15/97/21/634159721.db2.gz MIWOWUUUYVCPOT-CVMIBZJCSA-N 1 0 294.351 2.031 20 5 CEBDRO CC1CC[NH+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822231291 634873294 /nfs/dbraw/zinc/87/32/94/634873294.db2.gz JYHRTDYIVWTIMX-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902934957 634904550 /nfs/dbraw/zinc/90/45/50/634904550.db2.gz SYFUMMCJIAZTLZ-SECBINFHSA-N 1 0 298.730 2.074 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092783 634974969 /nfs/dbraw/zinc/97/49/69/634974969.db2.gz LWVWPNOKMBPGGH-ZYHUDNBSSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903158874 634992915 /nfs/dbraw/zinc/99/29/15/634992915.db2.gz WCNXCFSXALTJGU-MISXGVKJSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC[NH2+][C@@H]2C)n1 ZINC000822808037 635000498 /nfs/dbraw/zinc/00/04/98/635000498.db2.gz OSHJUFAMKZIMQJ-BXKDBHETSA-N 1 0 288.307 2.419 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903200448 635010126 /nfs/dbraw/zinc/01/01/26/635010126.db2.gz SEBLVYCYOUESNC-GHMZBOCLSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)cc([N+](=O)[O-])c1 ZINC000903204213 635011934 /nfs/dbraw/zinc/01/19/34/635011934.db2.gz RPRCTZPVDPJCLU-FZZIBODNSA-N 1 0 280.324 2.431 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903189883 635013764 /nfs/dbraw/zinc/01/37/64/635013764.db2.gz KCVZRRIEPSEVKE-LLVKDONJSA-N 1 0 293.367 2.348 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C ZINC000903325393 635055574 /nfs/dbraw/zinc/05/55/74/635055574.db2.gz YXLVXPWNNFQTAV-JSGCOSHPSA-N 1 0 277.368 2.210 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC[C@H](O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903410763 635105164 /nfs/dbraw/zinc/10/51/64/635105164.db2.gz JEUFICAEKUCBKD-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469444 635141319 /nfs/dbraw/zinc/14/13/19/635141319.db2.gz VBOQWKYWTNTYHM-CQSZACIVSA-N 1 0 275.352 2.012 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485346 635151968 /nfs/dbraw/zinc/15/19/68/635151968.db2.gz MCZCAMRQTWOPFT-CQSZACIVSA-N 1 0 275.352 2.359 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]([NH3+])CC(F)F ZINC000903918281 635366130 /nfs/dbraw/zinc/36/61/30/635366130.db2.gz WDYTXANZEDHQRQ-NSHDSACASA-N 1 0 287.310 2.052 20 5 CEBDRO CC[NH+]1CCC(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826109738 635762486 /nfs/dbraw/zinc/76/24/86/635762486.db2.gz OQWMRWLTBPDXOR-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCS1 ZINC000905040323 635782591 /nfs/dbraw/zinc/78/25/91/635782591.db2.gz BCRUWROHVCJGJX-NSHDSACASA-N 1 0 294.380 2.104 20 5 CEBDRO CC(C)(C)OCc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905090816 635802533 /nfs/dbraw/zinc/80/25/33/635802533.db2.gz USWCHWCCTUGRNJ-UHFFFAOYSA-N 1 0 266.341 2.368 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(Sc2ccccc2)CC1 ZINC000905107506 635818833 /nfs/dbraw/zinc/81/88/33/635818833.db2.gz ZXCRXNGPIMCFTQ-UHFFFAOYSA-N 1 0 252.339 2.178 20 5 CEBDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905255411 636176436 /nfs/dbraw/zinc/17/64/36/636176436.db2.gz HMCGKNWDTIRBLD-LBPRGKRZSA-N 1 0 266.341 2.444 20 5 CEBDRO CC(C)[NH2+]Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000905800410 636465809 /nfs/dbraw/zinc/46/58/09/636465809.db2.gz WMCOXEGBPYQLFG-LLVKDONJSA-N 1 0 289.339 2.294 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828837384 636694890 /nfs/dbraw/zinc/69/48/90/636694890.db2.gz BSGCKYBQNWNPCG-HUUCEWRRSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000828987300 636746213 /nfs/dbraw/zinc/74/62/13/636746213.db2.gz AULWVAXZROMNFW-RNCFNFMXSA-N 1 0 281.743 2.389 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000829251476 636812897 /nfs/dbraw/zinc/81/28/97/636812897.db2.gz CEKAROUEQCGCMY-NSHDSACASA-N 1 0 278.356 2.098 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)c(F)c1F ZINC000830409472 637063850 /nfs/dbraw/zinc/06/38/50/637063850.db2.gz PEFAKDFXSAVRBS-UHFFFAOYSA-N 1 0 272.251 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000876532234 650308021 /nfs/dbraw/zinc/30/80/21/650308021.db2.gz CHOLCMAHYRWXBK-JQWIXIFHSA-N 1 0 291.351 2.021 20 5 CEBDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000876545221 650316157 /nfs/dbraw/zinc/31/61/57/650316157.db2.gz JCFLYZHKEROCFL-XUIVZRPNSA-N 1 0 275.308 2.089 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000834383636 637807545 /nfs/dbraw/zinc/80/75/45/637807545.db2.gz UZYAXJWCZMVARS-UONOGXRCSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H](C)[NH3+] ZINC000876860448 650462215 /nfs/dbraw/zinc/46/22/15/650462215.db2.gz BBGLMKGTJCWRPP-VHSXEESVSA-N 1 0 287.319 2.214 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841058017 639635776 /nfs/dbraw/zinc/63/57/76/639635776.db2.gz DWDAIRJIZHZISK-CABZTGNLSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000228559969 639644161 /nfs/dbraw/zinc/64/41/61/639644161.db2.gz DHKOOBRAAWESOO-JTQLQIEISA-N 1 0 288.307 2.420 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC000841089359 639653103 /nfs/dbraw/zinc/65/31/03/639653103.db2.gz GMAZKBJCGWQSGZ-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000172919228 639827535 /nfs/dbraw/zinc/82/75/35/639827535.db2.gz DVAHYBMWVJSWMX-QWRGUYRKSA-N 1 0 252.318 2.259 20 5 CEBDRO CC[C@@]1(C)CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173425737 639854167 /nfs/dbraw/zinc/85/41/67/639854167.db2.gz UZOIAKYNAKWUSP-LBPRGKRZSA-N 1 0 252.318 2.261 20 5 CEBDRO C[NH2+]C[C@@H](C)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000842578133 640106026 /nfs/dbraw/zinc/10/60/26/640106026.db2.gz URHSXFZRKDOCOU-VHODGJRUSA-N 1 0 288.307 2.471 20 5 CEBDRO O=[N+]([O-])c1cccc(Cc2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000842664745 640141259 /nfs/dbraw/zinc/14/12/59/640141259.db2.gz HIOLAOIARJJDFQ-LLVKDONJSA-N 1 0 288.307 2.036 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000843116045 640286409 /nfs/dbraw/zinc/28/64/09/640286409.db2.gz NLKKEFQQNAGELN-ZNMIVQPWSA-N 1 0 296.367 2.013 20 5 CEBDRO Cc1ccc(-c2noc(CC3([NH3+])CCC3)n2)cc1[N+](=O)[O-] ZINC000843178780 640329840 /nfs/dbraw/zinc/32/98/40/640329840.db2.gz KCHYCSVRGBEQSJ-UHFFFAOYSA-N 1 0 288.307 2.377 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC2([NH3+])CCC2)n1 ZINC000843186832 640337619 /nfs/dbraw/zinc/33/76/19/640337619.db2.gz DRYOSJGSXUWQHU-UHFFFAOYSA-N 1 0 288.307 2.377 20 5 CEBDRO Cc1cc(-c2noc(CC3([NH3+])CCC3)n2)cc([N+](=O)[O-])c1 ZINC000843239175 640365175 /nfs/dbraw/zinc/36/51/75/640365175.db2.gz FSFLCSIAYLLTIA-UHFFFAOYSA-N 1 0 288.307 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000843345399 640397625 /nfs/dbraw/zinc/39/76/25/640397625.db2.gz HPXCCJXXSSBGNN-UHFFFAOYSA-N 1 0 293.342 2.450 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107159 650576119 /nfs/dbraw/zinc/57/61/19/650576119.db2.gz YHDDBICHOCBSFC-VIFPVBQESA-N 1 0 297.380 2.126 20 5 CEBDRO [NH3+]CCCCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000843511182 640447155 /nfs/dbraw/zinc/44/71/55/640447155.db2.gz FJOLOAZMEBVMDR-UHFFFAOYSA-N 1 0 293.367 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3C4CCC3CC4)n2)cc1 ZINC000915203550 640526400 /nfs/dbraw/zinc/52/64/00/640526400.db2.gz WTCVKYXTLDCOFT-UHFFFAOYSA-N 1 0 299.334 2.438 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877173114 650610147 /nfs/dbraw/zinc/61/01/47/650610147.db2.gz YMQRFONEIMULPR-ZYHUDNBSSA-N 1 0 299.330 2.310 20 5 CEBDRO CC[C@@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000877241050 650637368 /nfs/dbraw/zinc/63/73/68/650637368.db2.gz LHWVSAWJOASPEQ-HNNXBMFYSA-N 1 0 291.351 2.052 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847825122 641793339 /nfs/dbraw/zinc/79/33/39/641793339.db2.gz AEIXYENHANSKPJ-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847827801 641796044 /nfs/dbraw/zinc/79/60/44/641796044.db2.gz XVNVDBIPRXLMMQ-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000848386130 641973702 /nfs/dbraw/zinc/97/37/02/641973702.db2.gz HPVNZTDKXOQLIB-MMRAYRKESA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1cc(C(=O)N(C)CCCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000877440906 650723017 /nfs/dbraw/zinc/72/30/17/650723017.db2.gz PDVWIWMWVFVJGI-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO Cc1c(C(=O)N(C)CCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000877442072 650723364 /nfs/dbraw/zinc/72/33/64/650723364.db2.gz WCLJZXZABSHGME-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO COc1cncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000850159336 642598751 /nfs/dbraw/zinc/59/87/51/642598751.db2.gz DKKWXZXLFIPKLA-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000877528018 650768121 /nfs/dbraw/zinc/76/81/21/650768121.db2.gz RBAXNLQNBUOMNV-HNNXBMFYSA-N 1 0 278.352 2.414 20 5 CEBDRO CC/C=C/C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877563962 650791647 /nfs/dbraw/zinc/79/16/47/650791647.db2.gz SIEVDNCEESQZSH-ONEGZZNKSA-N 1 0 250.302 2.051 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)C2)c1 ZINC000877607761 650811913 /nfs/dbraw/zinc/81/19/13/650811913.db2.gz KVLKOZTVQWLQJK-OTQSUOKKSA-N 1 0 276.340 2.273 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877630793 650823627 /nfs/dbraw/zinc/82/36/27/650823627.db2.gz MSXKBLONRHWDAX-NPZBDFSRSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093113 643381485 /nfs/dbraw/zinc/38/14/85/643381485.db2.gz BAUSBYCXBLGEEJ-FZMZJTMJSA-N 1 0 277.368 2.320 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520905 643749400 /nfs/dbraw/zinc/74/94/00/643749400.db2.gz WEKFQDGVCJJBLG-KWCYVHTRSA-N 1 0 275.352 2.197 20 5 CEBDRO CC(C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492250 643788017 /nfs/dbraw/zinc/78/80/17/643788017.db2.gz JHCXSMLXIASFMS-UHFFFAOYSA-N 1 0 289.339 2.399 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000126715450 650903512 /nfs/dbraw/zinc/90/35/12/650903512.db2.gz ZDGROPCPJUPVGK-CQSZACIVSA-N 1 0 276.336 2.406 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835738 650928260 /nfs/dbraw/zinc/92/82/60/650928260.db2.gz WGEXDEIYJROBIY-GFCCVEGCSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000755918542 644581568 /nfs/dbraw/zinc/58/15/68/644581568.db2.gz CVVSVAHTYQQXDF-LBPRGKRZSA-N 1 0 266.345 2.344 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672380 644780429 /nfs/dbraw/zinc/78/04/29/644780429.db2.gz FVKQADUSYLENOP-ZYHUDNBSSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(CC3CC3)C2)c1 ZINC000857211652 644849014 /nfs/dbraw/zinc/84/90/14/644849014.db2.gz CBQXSYBJSQTHFU-HNNXBMFYSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C)C1 ZINC000761076962 645232924 /nfs/dbraw/zinc/23/29/24/645232924.db2.gz QKBDRECHZISNKW-VXGBXAGGSA-N 1 0 263.341 2.292 20 5 CEBDRO COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521264 645293577 /nfs/dbraw/zinc/29/35/77/645293577.db2.gz LHBIOXXOLSTZDL-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859676678 645565531 /nfs/dbraw/zinc/56/55/31/645565531.db2.gz BUVVJHPINJULBX-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H]2C)n1 ZINC000765512009 645779520 /nfs/dbraw/zinc/77/95/20/645779520.db2.gz IDBNFCDAHLUWFY-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943993 645824206 /nfs/dbraw/zinc/82/42/06/645824206.db2.gz NLXGNYXOSBVYAE-WYRIXSBYSA-N 1 0 284.381 2.322 20 5 CEBDRO CC[NH+](CC)CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000770444988 646392807 /nfs/dbraw/zinc/39/28/07/646392807.db2.gz MAYGLLOBFBBUMR-UHFFFAOYSA-N 1 0 285.319 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@@H]1C ZINC000771235535 646503255 /nfs/dbraw/zinc/50/32/55/646503255.db2.gz XIPBXTRVHWWBCK-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000772070419 646591935 /nfs/dbraw/zinc/59/19/35/646591935.db2.gz RSAUYTWXZZGDOL-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CC1 ZINC000772988629 646693338 /nfs/dbraw/zinc/69/33/38/646693338.db2.gz SNMHPYAQIUMSGU-FZMZJTMJSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863541066 646750819 /nfs/dbraw/zinc/75/08/19/646750819.db2.gz GRXZKAJQDJAKQG-QMTHXVAHSA-N 1 0 290.367 2.112 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000863561041 646757135 /nfs/dbraw/zinc/75/71/35/646757135.db2.gz BTNONJNBCCVWJU-IUODEOHRSA-N 1 0 294.351 2.035 20 5 CEBDRO CO[C@H](C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776585728 647075876 /nfs/dbraw/zinc/07/58/76/647075876.db2.gz ZULKAKBTMDYREB-IUODEOHRSA-N 1 0 296.367 2.374 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593795 647077154 /nfs/dbraw/zinc/07/71/54/647077154.db2.gz ZABJFGHFZMDBMG-FZMZJTMJSA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cs1 ZINC000865691437 647425536 /nfs/dbraw/zinc/42/55/36/647425536.db2.gz BBYNPTZKOOKWHK-BSFRTMCYSA-N 1 0 280.349 2.169 20 5 CEBDRO CC(C)[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000780497451 647434394 /nfs/dbraw/zinc/43/43/94/647434394.db2.gz LZCAXDYFWCFHAD-NSHDSACASA-N 1 0 252.318 2.117 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)cs1 ZINC000865859781 647507950 /nfs/dbraw/zinc/50/79/50/647507950.db2.gz QFQXJJSPBDYOFR-PWSUYJOCSA-N 1 0 268.338 2.458 20 5 CEBDRO Cc1c(C[NH2+][C@@](C)(CO)C2CC2)cccc1[N+](=O)[O-] ZINC000782177285 647595680 /nfs/dbraw/zinc/59/56/80/647595680.db2.gz VLCYFTAOBFTLQC-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782636750 647647883 /nfs/dbraw/zinc/64/78/83/647647883.db2.gz YJZPKZDGUZFALU-SLEUVZQESA-N 1 0 276.336 2.278 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866205901 647669415 /nfs/dbraw/zinc/66/94/15/647669415.db2.gz ODISDUUHUQYTOF-NOZJJQNGSA-N 1 0 297.305 2.403 20 5 CEBDRO COCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215080 647675043 /nfs/dbraw/zinc/67/50/43/647675043.db2.gz TXXUOFKXSLQOEP-JTQLQIEISA-N 1 0 270.304 2.291 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287525 647718078 /nfs/dbraw/zinc/71/80/78/647718078.db2.gz OFPXSHOGBYBEHB-GXFFZTMASA-N 1 0 284.331 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1Cl ZINC000783638245 647742432 /nfs/dbraw/zinc/74/24/32/647742432.db2.gz PCWZBTVHEKIQDJ-MFKMUULPSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000866350787 647750062 /nfs/dbraw/zinc/75/00/62/647750062.db2.gz CBNZGMGSELABIL-NSHDSACASA-N 1 0 284.331 2.417 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866390390 647769793 /nfs/dbraw/zinc/76/97/93/647769793.db2.gz VMULTDPULJWXMJ-BXKDBHETSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@]([NH3+])(C(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867947942 647998095 /nfs/dbraw/zinc/99/80/95/647998095.db2.gz MSMWRZDADNXFNA-OAHLLOKOSA-N 1 0 291.351 2.075 20 5 CEBDRO CN(CCC1CC1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867977520 648007673 /nfs/dbraw/zinc/00/76/73/648007673.db2.gz JJKPIAOBBSWRPT-HNNXBMFYSA-N 1 0 291.351 2.027 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508468 648196154 /nfs/dbraw/zinc/19/61/54/648196154.db2.gz UZENLDJAMBYSAH-RNCFNFMXSA-N 1 0 291.307 2.154 20 5 CEBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788615157 648206921 /nfs/dbraw/zinc/20/69/21/648206921.db2.gz VLCWZZMTVARJLS-GXFFZTMASA-N 1 0 281.356 2.499 20 5 CEBDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788808637 648226032 /nfs/dbraw/zinc/22/60/32/648226032.db2.gz YMWJIKOYURXMCQ-GFCCVEGCSA-N 1 0 290.367 2.090 20 5 CEBDRO CC(C)C[N@H+](CC[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000791051982 648476285 /nfs/dbraw/zinc/47/62/85/648476285.db2.gz JBJLQSYTPHBUCR-AWEZNQCLSA-N 1 0 284.331 2.094 20 5 CEBDRO COc1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791053773 648477080 /nfs/dbraw/zinc/47/70/80/648477080.db2.gz PGHMRNFKNXGAJM-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794570239 648885241 /nfs/dbraw/zinc/88/52/41/648885241.db2.gz IWWWZIZDJPQKNY-RISCZKNCSA-N 1 0 296.392 2.456 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027249 649245147 /nfs/dbraw/zinc/24/51/47/649245147.db2.gz KOTFCNAHUBQNKW-VHSXEESVSA-N 1 0 268.288 2.421 20 5 CEBDRO C[C@H]([NH2+]CCc1cnccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052392 649256092 /nfs/dbraw/zinc/25/60/92/649256092.db2.gz DDMHABAUDFTNNS-JTQLQIEISA-N 1 0 290.298 2.417 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCOCC1 ZINC000873015892 649531741 /nfs/dbraw/zinc/53/17/41/649531741.db2.gz AUIXEZFFBNDUPK-UHFFFAOYSA-N 1 0 264.325 2.480 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058797 649546567 /nfs/dbraw/zinc/54/65/67/649546567.db2.gz JDLZLXYUWCVVDH-LBPRGKRZSA-N 1 0 266.341 2.462 20 5 CEBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873092986 649557601 /nfs/dbraw/zinc/55/76/01/649557601.db2.gz JVWDOMKQDOWJEK-UHFFFAOYSA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[S@](C)=O ZINC000873105352 649559409 /nfs/dbraw/zinc/55/94/09/649559409.db2.gz ZSKZZZKIVLSJAQ-OVWNDWIMSA-N 1 0 284.381 2.068 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873128122 649564428 /nfs/dbraw/zinc/56/44/28/649564428.db2.gz CRSKVGCWBXJBKG-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000873163391 649576666 /nfs/dbraw/zinc/57/66/66/649576666.db2.gz QPEUDINFYUJBOX-LLVKDONJSA-N 1 0 278.308 2.028 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000124884344 649754948 /nfs/dbraw/zinc/75/49/48/649754948.db2.gz SDTHUAAODHTNFO-ZDUSSCGKSA-N 1 0 252.314 2.010 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000878415067 651089838 /nfs/dbraw/zinc/08/98/38/651089838.db2.gz VHTDHQXNQPETBW-ZDUSSCGKSA-N 1 0 292.335 2.335 20 5 CEBDRO CCO[C@H]1C[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127254076 651151491 /nfs/dbraw/zinc/15/14/91/651151491.db2.gz FQGIVYYRLAWCSY-NEPJUHHUSA-N 1 0 294.355 2.028 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000879229168 651265130 /nfs/dbraw/zinc/26/51/30/651265130.db2.gz SEVMGHDMWKXYAI-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879619087 651331015 /nfs/dbraw/zinc/33/10/15/651331015.db2.gz MJWJYJBQBPQANR-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000879707061 651341797 /nfs/dbraw/zinc/34/17/97/651341797.db2.gz ZKOJBVQXOMUHHZ-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880138975 651389889 /nfs/dbraw/zinc/38/98/89/651389889.db2.gz JQDVRXMNXYKKCB-LBPRGKRZSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880294607 651417535 /nfs/dbraw/zinc/41/75/35/651417535.db2.gz DGAORHUTTZRJAB-NSHDSACASA-N 1 0 268.288 2.395 20 5 CEBDRO CC[C@H]([NH3+])c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227440 651641273 /nfs/dbraw/zinc/64/12/73/651641273.db2.gz WIFNVGBUJOHXRC-JTQLQIEISA-N 1 0 295.730 2.298 20 5 CEBDRO C[NH2+][C@H](C)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227098 651641538 /nfs/dbraw/zinc/64/15/38/651641538.db2.gz KCKCZLHKJVCKBM-MRVPVSSYSA-N 1 0 295.730 2.168 20 5 CEBDRO Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000881435699 651722426 /nfs/dbraw/zinc/72/24/26/651722426.db2.gz KLQPUIKFFGZFHU-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO CC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881775095 651881311 /nfs/dbraw/zinc/88/13/11/651881311.db2.gz KREBTVHEACCBMA-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](C2CC2)CC1 ZINC000881786907 651883967 /nfs/dbraw/zinc/88/39/67/651883967.db2.gz ZTSWFHSCGXQVIV-UHFFFAOYSA-N 1 0 280.303 2.168 20 5 CEBDRO CC(=O)c1c(N[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000881845168 651899190 /nfs/dbraw/zinc/89/91/90/651899190.db2.gz GSVJOXACFLAQLI-NSHDSACASA-N 1 0 289.335 2.446 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881875508 651904660 /nfs/dbraw/zinc/90/46/60/651904660.db2.gz ZBDQVUGSNNHYLJ-JTQLQIEISA-N 1 0 282.319 2.096 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882035933 651943206 /nfs/dbraw/zinc/94/32/06/651943206.db2.gz RCRUAKGUDHGQBE-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882576415 652142830 /nfs/dbraw/zinc/14/28/30/652142830.db2.gz WZWPBFBUMUZISU-SECBINFHSA-N 1 0 282.319 2.414 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883356174 652440237 /nfs/dbraw/zinc/44/02/37/652440237.db2.gz HXRKOONQNDEJPD-RISCZKNCSA-N 1 0 295.358 2.349 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CC[NH2+]CCC12CCC2 ZINC000883459869 652477460 /nfs/dbraw/zinc/47/74/60/652477460.db2.gz JIPJILXMOBNBLB-UHFFFAOYSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000884274695 652776769 /nfs/dbraw/zinc/77/67/69/652776769.db2.gz SICVMUTZTHPLKE-ZYHUDNBSSA-N 1 0 291.351 2.082 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccoc2)cc1 ZINC000134485925 652847167 /nfs/dbraw/zinc/84/71/67/652847167.db2.gz IALWYHXSPBNQHC-CYBMUJFWSA-N 1 0 262.265 2.011 20 5 CEBDRO CC(C)(C)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227469983 805943122 /nfs/dbraw/zinc/94/31/22/805943122.db2.gz KTNWQTXXIUFMMS-CYBMUJFWSA-N 1 0 294.415 2.347 20 5 CEBDRO CCOc1cc(N(C)C(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000714241608 806091317 /nfs/dbraw/zinc/09/13/17/806091317.db2.gz GQHYSQAXDPQOKQ-UHFFFAOYSA-N 1 0 267.329 2.167 20 5 CEBDRO CCCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168131522 806257253 /nfs/dbraw/zinc/25/72/53/806257253.db2.gz ITSYNQOMMARARK-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1nnc(Cl)cc1Cl ZINC001228979596 806372682 /nfs/dbraw/zinc/37/26/82/806372682.db2.gz WQFVJBDNUNAGJC-ZETCQYMHSA-N 1 0 265.164 2.257 20 5 CEBDRO CC1(Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC[NH2+]CC1 ZINC001168181979 806379327 /nfs/dbraw/zinc/37/93/27/806379327.db2.gz HFJCBQWOAKSSCF-UHFFFAOYSA-N 1 0 275.312 2.025 20 5 CEBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]CC[C@H]2F)cc2cccnc21 ZINC001168232212 806428359 /nfs/dbraw/zinc/42/83/59/806428359.db2.gz WJCTWDOSGHCSHX-NEPJUHHUSA-N 1 0 290.298 2.255 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000723038757 802789414 /nfs/dbraw/zinc/78/94/14/802789414.db2.gz ADALYYAEGLMVCC-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134388511 802834975 /nfs/dbraw/zinc/83/49/75/802834975.db2.gz HRUASIUZQAKDPN-NSHDSACASA-N 1 0 272.732 2.499 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123315 803047498 /nfs/dbraw/zinc/04/74/98/803047498.db2.gz WONZJGQFKKNDCO-OLZOCXBDSA-N 1 0 268.288 2.343 20 5 CEBDRO CC(C)(CO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135093829 803152103 /nfs/dbraw/zinc/15/21/03/803152103.db2.gz AQUHNNQCZOFWFF-UHFFFAOYSA-N 1 0 272.732 2.356 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218398545 803600542 /nfs/dbraw/zinc/60/05/42/803600542.db2.gz GKZMHGYPGHBTPL-CYBMUJFWSA-N 1 0 262.309 2.424 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CSC1 ZINC001173219045 815624403 /nfs/dbraw/zinc/62/44/03/815624403.db2.gz VVAWKZMKBVBGGL-JTQLQIEISA-N 1 0 266.366 2.478 20 5 CEBDRO Cc1ccc(CO[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001223226876 804361742 /nfs/dbraw/zinc/36/17/42/804361742.db2.gz YLGDKQCSXAMMIV-LLVKDONJSA-N 1 0 252.314 2.370 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000716022974 815015613 /nfs/dbraw/zinc/01/56/13/815015613.db2.gz VDAHUUXBXPBLCK-GFCCVEGCSA-N 1 0 294.351 2.474 20 5 CEBDRO COc1ccc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225770602 805277990 /nfs/dbraw/zinc/27/79/90/805277990.db2.gz YYJDTFGAFWQVDW-NSHDSACASA-N 1 0 266.297 2.076 20 5 CEBDRO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793610 805299602 /nfs/dbraw/zinc/29/96/02/805299602.db2.gz BYRMXANDKSVEOJ-SECBINFHSA-N 1 0 254.261 2.207 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000698175868 807021991 /nfs/dbraw/zinc/02/19/91/807021991.db2.gz SOGNBDNSHBYFIS-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccsc3[N+](=O)[O-])[C@H]2C1 ZINC001120922865 807354089 /nfs/dbraw/zinc/35/40/89/807354089.db2.gz RJEFXGWVHXQOQO-GUBZILKMSA-N 1 0 267.354 2.408 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001171447408 815119750 /nfs/dbraw/zinc/11/97/50/815119750.db2.gz DQXAIECIHGQZII-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001171447811 815129868 /nfs/dbraw/zinc/12/98/68/815129868.db2.gz OQDWJSKXFIBHPR-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789814 807845517 /nfs/dbraw/zinc/84/55/17/807845517.db2.gz QWEXXLJWERSWEE-GZMMTYOYSA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000716907578 815158831 /nfs/dbraw/zinc/15/88/31/815158831.db2.gz HLUNYIASPAOPTF-PWSUYJOCSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(N)n1 ZINC000094261231 808122974 /nfs/dbraw/zinc/12/29/74/808122974.db2.gz KBEHOBCQGMZBEB-LLVKDONJSA-N 1 0 293.371 2.248 20 5 CEBDRO Cc1cc(C)c(-n2cnc(C[NH3+])c2)c(C)c1[N+](=O)[O-] ZINC001162302653 809311853 /nfs/dbraw/zinc/31/18/53/809311853.db2.gz YOSMLUWOJLFLQM-UHFFFAOYSA-N 1 0 260.297 2.164 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627572 809333913 /nfs/dbraw/zinc/33/39/13/809333913.db2.gz GDSLDPBBOKWRNP-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO CC1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000701051899 809383015 /nfs/dbraw/zinc/38/30/15/809383015.db2.gz QATWGSVTEKSUPW-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701052475 809383350 /nfs/dbraw/zinc/38/33/50/809383350.db2.gz WREPNBMLSWFADC-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC001120881524 815290868 /nfs/dbraw/zinc/29/08/68/815290868.db2.gz FEVCVJONWJDSAG-NSHDSACASA-N 1 0 294.355 2.285 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000703594306 809667417 /nfs/dbraw/zinc/66/74/17/809667417.db2.gz DMPUOBWKAWKASX-TVQRCGJNSA-N 1 0 281.743 2.294 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000704609567 809740075 /nfs/dbraw/zinc/74/00/75/809740075.db2.gz PRBYXTWEDSETTM-WDEREUQCSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000709492153 809962286 /nfs/dbraw/zinc/96/22/86/809962286.db2.gz NRYZKPKSGGNKMM-SECBINFHSA-N 1 0 268.288 2.079 20 5 CEBDRO COC[C@@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000710689548 809989070 /nfs/dbraw/zinc/98/90/70/809989070.db2.gz PJJYEYBPAIDGQA-CYBMUJFWSA-N 1 0 282.340 2.044 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000711081646 810013472 /nfs/dbraw/zinc/01/34/72/810013472.db2.gz CPBPNHNMDADGAS-YPMHNXCESA-N 1 0 250.298 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711703228 810093412 /nfs/dbraw/zinc/09/34/12/810093412.db2.gz PRZDXUXSIWSNMX-SMDDNHRTSA-N 1 0 262.309 2.184 20 5 CEBDRO [NH3+][C@@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001164281764 810338906 /nfs/dbraw/zinc/33/89/06/810338906.db2.gz MHKHHUVLBCHKEU-SSDOTTSWSA-N 1 0 275.230 2.151 20 5 CEBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)C ZINC001273273440 810630715 /nfs/dbraw/zinc/63/07/15/810630715.db2.gz DHAPFKFATWQZAJ-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167319 815389535 /nfs/dbraw/zinc/38/95/35/815389535.db2.gz TUVIIONSDBELDL-KWBADKCTSA-N 1 0 279.340 2.145 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC001122600072 815429415 /nfs/dbraw/zinc/42/94/15/815429415.db2.gz RFKHHSCIDYEBGP-RYUDHWBXSA-N 1 0 277.324 2.215 20 5 CEBDRO [NH3+][C@H]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001156228690 811280579 /nfs/dbraw/zinc/28/05/79/811280579.db2.gz KPUFPWJSFSZXGB-QMMMGPOBSA-N 1 0 292.726 2.334 20 5 CEBDRO [NH3+]Cc1cccc2c1cnn2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976765 811305176 /nfs/dbraw/zinc/30/51/76/811305176.db2.gz GHGHSZUIYRRDCL-ZYHUDNBSSA-N 1 0 274.324 2.113 20 5 CEBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978262 811306253 /nfs/dbraw/zinc/30/62/53/811306253.db2.gz QJLKNZYNPDSVSG-NWDGAFQWSA-N 1 0 286.372 2.143 20 5 CEBDRO [NH3+]CC[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979219 811307795 /nfs/dbraw/zinc/30/77/95/811307795.db2.gz XFWBBPYPQAFCQL-MGPQQGTHSA-N 1 0 289.379 2.384 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C1 ZINC001168978860 811308759 /nfs/dbraw/zinc/30/87/59/811308759.db2.gz UZFJVVOSJTUKEZ-HONMWMINSA-N 1 0 298.770 2.408 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168980623 811309118 /nfs/dbraw/zinc/30/91/18/811309118.db2.gz DZEXJRKGHZQWBZ-YIYPIFLZSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1cc(Cl)c(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168954816 811311421 /nfs/dbraw/zinc/31/14/21/811311421.db2.gz QKEKACKCOBWYIS-UHFFFAOYSA-N 1 0 280.715 2.244 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(N)c1 ZINC001168984675 811311614 /nfs/dbraw/zinc/31/16/14/811311614.db2.gz PUOYGMWFVXRZBE-MISXGVKJSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccn2)C1 ZINC001168962861 811315849 /nfs/dbraw/zinc/31/58/49/811315849.db2.gz NHGQSLIDRSKEBM-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO COc1ccc(OCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965554 811317505 /nfs/dbraw/zinc/31/75/05/811317505.db2.gz AMQYGABNSRIPAN-STQMWFEESA-N 1 0 294.351 2.109 20 5 CEBDRO [NH3+]Cc1cnc2c(ccn2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966800 811318556 /nfs/dbraw/zinc/31/85/56/811318556.db2.gz LGFNVDSHTVMPBT-GWCFXTLKSA-N 1 0 274.324 2.113 20 5 CEBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168974005 811321547 /nfs/dbraw/zinc/32/15/47/811321547.db2.gz PXFGLZSJFDALGJ-VHSXEESVSA-N 1 0 262.300 2.457 20 5 CEBDRO Cn1cc2cccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2n1 ZINC001168975663 811323054 /nfs/dbraw/zinc/32/30/54/811323054.db2.gz WQXWDLYNOVFRRY-RISCZKNCSA-N 1 0 288.351 2.108 20 5 CEBDRO CC(C)Cn1cnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996998 811325184 /nfs/dbraw/zinc/32/51/84/811325184.db2.gz ASKRGVZVHXCFRC-QWHCGFSZSA-N 1 0 280.372 2.074 20 5 CEBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002237 811328630 /nfs/dbraw/zinc/32/86/30/811328630.db2.gz JQALFUHUYIURNS-XDQVBPFNSA-N 1 0 298.383 2.143 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001169006163 811331110 /nfs/dbraw/zinc/33/11/10/811331110.db2.gz WLOTZNJSHPWASI-GXTWGEPZSA-N 1 0 275.352 2.192 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC001169009057 811333036 /nfs/dbraw/zinc/33/30/36/811333036.db2.gz UQDUNWBQZCHZNF-IUODEOHRSA-N 1 0 260.337 2.490 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001169010924 811334166 /nfs/dbraw/zinc/33/41/66/811334166.db2.gz GFCQNNDHCBHTLH-VLEAKVRGSA-N 1 0 260.284 2.019 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC001168988565 811338158 /nfs/dbraw/zinc/33/81/58/811338158.db2.gz SLLNGCIOPHNWIO-LDYMZIIASA-N 1 0 287.722 2.409 20 5 CEBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040248 811347865 /nfs/dbraw/zinc/34/78/65/811347865.db2.gz ZBNZQSNKEUSMJF-MGPQQGTHSA-N 1 0 298.383 2.097 20 5 CEBDRO Cc1cc2c(cn1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039116 811348130 /nfs/dbraw/zinc/34/81/30/811348130.db2.gz NENJDOOQXJHDGR-RISCZKNCSA-N 1 0 261.325 2.151 20 5 CEBDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039033 811348158 /nfs/dbraw/zinc/34/81/58/811348158.db2.gz MPRQFIQSRJXGSB-QJPTWQEYSA-N 1 0 286.372 2.094 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](F)CO3)CC2)C1 ZINC001169039962 811348623 /nfs/dbraw/zinc/34/86/23/811348623.db2.gz WKSKPPUBXKSVOM-AGIUHOORSA-N 1 0 286.347 2.025 20 5 CEBDRO Cc1cc2c(cn1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039117 811349339 /nfs/dbraw/zinc/34/93/39/811349339.db2.gz NENJDOOQXJHDGR-SMDDNHRTSA-N 1 0 261.325 2.151 20 5 CEBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038025 811349603 /nfs/dbraw/zinc/34/96/03/811349603.db2.gz VCZKVJNOIGCKTG-NDBYEHHHSA-N 1 0 266.341 2.018 20 5 CEBDRO CCC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042049 811350026 /nfs/dbraw/zinc/35/00/26/811350026.db2.gz CSRJDLFERHYUGN-KGLIPLIRSA-N 1 0 271.405 2.096 20 5 CEBDRO CCCCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023818 811354079 /nfs/dbraw/zinc/35/40/79/811354079.db2.gz FLCFQHBCFAQITM-GJZGRUSLSA-N 1 0 283.416 2.240 20 5 CEBDRO CC(C)OC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023890 811355269 /nfs/dbraw/zinc/35/52/69/811355269.db2.gz GGUGMMKIJLXHRN-OLZOCXBDSA-N 1 0 270.373 2.321 20 5 CEBDRO CC1(C)C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)O1 ZINC001169045728 811355475 /nfs/dbraw/zinc/35/54/75/811355475.db2.gz JVMXSLBMOJEBQA-NWDGAFQWSA-N 1 0 270.373 2.321 20 5 CEBDRO CC(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169056858 811358117 /nfs/dbraw/zinc/35/81/17/811358117.db2.gz TXEODAPRJSYJFY-TZMCWYRMSA-N 1 0 270.373 2.321 20 5 CEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC[C@H]1CCC[NH2+]1 ZINC001169568070 811571529 /nfs/dbraw/zinc/57/15/29/811571529.db2.gz QHDRQPRGYJNZPK-SECBINFHSA-N 1 0 275.312 2.025 20 5 CEBDRO C[NH+]1CC(CNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001170252587 812372162 /nfs/dbraw/zinc/37/21/62/812372162.db2.gz BEBJIIHNHLEVHK-UHFFFAOYSA-N 1 0 290.298 2.256 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001170304704 812379613 /nfs/dbraw/zinc/37/96/13/812379613.db2.gz FXNQWZHLCUXUBM-GGZOMVNGSA-N 1 0 268.288 2.234 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170307887 812390800 /nfs/dbraw/zinc/39/08/00/812390800.db2.gz JSOMJYIJCDFRSI-HCKVZZMMSA-N 1 0 294.351 2.037 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccnnc1)CC2 ZINC001172900727 815539995 /nfs/dbraw/zinc/53/99/95/815539995.db2.gz YTGLRRVMVNIWID-OAHLLOKOSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC001172895806 815542843 /nfs/dbraw/zinc/54/28/43/815542843.db2.gz JCCRVDBILOFURU-KBPBESRZSA-N 1 0 276.336 2.221 20 5 CEBDRO Cc1c(N[C@@H]2CCC[C@H]([NH3+])C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170620661 812878311 /nfs/dbraw/zinc/87/83/11/812878311.db2.gz QEGJALFNWRAROC-VHSXEESVSA-N 1 0 294.311 2.493 20 5 CEBDRO Cc1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001158824281 813019906 /nfs/dbraw/zinc/01/99/06/813019906.db2.gz MUGBEVLREJAOOD-UHFFFAOYSA-N 1 0 276.340 2.196 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170864881 813561094 /nfs/dbraw/zinc/56/10/94/813561094.db2.gz JYPUVVJDLLJBTM-JTQLQIEISA-N 1 0 293.245 2.083 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159773256 813656024 /nfs/dbraw/zinc/65/60/24/813656024.db2.gz ZPFFJXGNZKBLTE-SECBINFHSA-N 1 0 260.297 2.292 20 5 CEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001116850468 814887040 /nfs/dbraw/zinc/88/70/40/814887040.db2.gz PDZAOBDBCBJIHM-KBPBESRZSA-N 1 0 292.335 2.069 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cccn1 ZINC001173215550 815623897 /nfs/dbraw/zinc/62/38/97/815623897.db2.gz WRORSVIYYAZCBT-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(COC2)C1 ZINC001173220946 815626161 /nfs/dbraw/zinc/62/61/61/815626161.db2.gz DJHPFYGJRLZVSG-LBPRGKRZSA-N 1 0 276.336 2.248 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC001173221975 815626219 /nfs/dbraw/zinc/62/62/19/815626219.db2.gz OBCJROJGAPRKIR-XUJVJEKNSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])cn1 ZINC001173233482 815632442 /nfs/dbraw/zinc/63/24/42/815632442.db2.gz JHHVEMRZZHMCFB-LLVKDONJSA-N 1 0 274.324 2.096 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCO ZINC001173208689 815635568 /nfs/dbraw/zinc/63/55/68/815635568.db2.gz AONYUFDGBZWJIY-LBPRGKRZSA-N 1 0 266.341 2.278 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCC1 ZINC001173213042 815636882 /nfs/dbraw/zinc/63/68/82/815636882.db2.gz CZBBITOJJSJHJJ-ZDUSSCGKSA-N 1 0 277.368 2.211 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001161175848 815647035 /nfs/dbraw/zinc/64/70/35/815647035.db2.gz MEGYBWRESWGTII-NSHDSACASA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H](CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001141891486 816596845 /nfs/dbraw/zinc/59/68/45/816596845.db2.gz UGLLBIYSUQPUOM-RYUDHWBXSA-N 1 0 293.367 2.360 20 5 CEBDRO CC(C)[NH+](CCNC(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000032244453 361734091 /nfs/dbraw/zinc/73/40/91/361734091.db2.gz OARPYARNQFCIDS-UHFFFAOYSA-N 1 0 293.367 2.443 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(O)CC1 ZINC000449060581 282084552 /nfs/dbraw/zinc/08/45/52/282084552.db2.gz DGCBARJSJRMFHU-XGNXJENSSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075952 282090335 /nfs/dbraw/zinc/09/03/35/282090335.db2.gz OGMPXTRVDAROAK-QWHCGFSZSA-N 1 0 288.351 2.401 20 5 CEBDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121372332 365560074 /nfs/dbraw/zinc/56/00/74/365560074.db2.gz AKUBYKMSFQNPOS-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108961 282103252 /nfs/dbraw/zinc/10/32/52/282103252.db2.gz UNHAKUNJWOBEAT-LBPRGKRZSA-N 1 0 288.351 2.321 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337544450 214147721 /nfs/dbraw/zinc/14/77/21/214147721.db2.gz LNFRVEJCFKBIHP-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000034994540 361802187 /nfs/dbraw/zinc/80/21/87/361802187.db2.gz IHHQYSCTPXONJR-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449153294 282122038 /nfs/dbraw/zinc/12/20/38/282122038.db2.gz CTALGLGFDDKKDE-JTNHKYCSSA-N 1 0 298.408 2.228 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324535 346821458 /nfs/dbraw/zinc/82/14/58/346821458.db2.gz PODLLADJRZZVGQ-ZDUSSCGKSA-N 1 0 263.341 2.298 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000601329214 346822352 /nfs/dbraw/zinc/82/23/52/346822352.db2.gz HHWCSKNOGNPZDM-YPMHNXCESA-N 1 0 293.367 2.304 20 5 CEBDRO C[C@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036308478 361839455 /nfs/dbraw/zinc/83/94/55/361839455.db2.gz YGEJQTPDGZTPFI-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1c(C[NH2+]C2CCOCC2)cccc1[N+](=O)[O-] ZINC000036319772 361841311 /nfs/dbraw/zinc/84/13/11/361841311.db2.gz PHBNVYDIXNFXDC-UHFFFAOYSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125432982 187184738 /nfs/dbraw/zinc/18/47/38/187184738.db2.gz PEUXAJNPDXHRTA-DOMZBBRYSA-N 1 0 294.351 2.035 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644467 361917790 /nfs/dbraw/zinc/91/77/90/361917790.db2.gz YZPNEGIXXKQZIR-CQSZACIVSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H](C)O ZINC000449232676 282151110 /nfs/dbraw/zinc/15/11/10/282151110.db2.gz ISXOGSSTHUUBMK-TUAOUCFPSA-N 1 0 266.341 2.275 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000449261498 282161814 /nfs/dbraw/zinc/16/18/14/282161814.db2.gz CEJPKVVZOKHQHU-LBPRGKRZSA-N 1 0 278.352 2.278 20 5 CEBDRO CO[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449268561 282164347 /nfs/dbraw/zinc/16/43/47/282164347.db2.gz HTBVTQGVSSECNT-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080605970 344016503 /nfs/dbraw/zinc/01/65/03/344016503.db2.gz CQPQDECCBIMZKJ-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000041118897 362020641 /nfs/dbraw/zinc/02/06/41/362020641.db2.gz PKYTZQKBHBKSTR-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000042159401 362062505 /nfs/dbraw/zinc/06/25/05/362062505.db2.gz LFZYOSDFCLGQTF-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(CC[NH+](C)C)n1 ZINC000601931346 346929382 /nfs/dbraw/zinc/92/93/82/346929382.db2.gz DCPXFXLOZQDZFC-UHFFFAOYSA-N 1 0 274.324 2.328 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126488191 187243211 /nfs/dbraw/zinc/24/32/11/187243211.db2.gz XSUQNDREGXOUIC-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449429803 282233837 /nfs/dbraw/zinc/23/38/37/282233837.db2.gz VKQUDMGSQOWCDU-YPMHNXCESA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000007956953 343360504 /nfs/dbraw/zinc/36/05/04/343360504.db2.gz YHVAGLPOIAFIHE-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000017281466 343372859 /nfs/dbraw/zinc/37/28/59/343372859.db2.gz HNGFGBOYLKFZFO-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028903720 343397630 /nfs/dbraw/zinc/39/76/30/343397630.db2.gz ABKPVUUETFDCKF-LBPRGKRZSA-N 1 0 291.351 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996320 343424911 /nfs/dbraw/zinc/42/49/11/343424911.db2.gz RSWYEQORCUSKSS-LSDHHAIUSA-N 1 0 275.352 2.311 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000295002115 199293629 /nfs/dbraw/zinc/29/36/29/199293629.db2.gz IPMIEPOTJQJCMA-OLZOCXBDSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000601980080 346948806 /nfs/dbraw/zinc/94/88/06/346948806.db2.gz DEVYXFVILWISNE-UWVGGRQHSA-N 1 0 287.323 2.090 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000295043638 199316938 /nfs/dbraw/zinc/31/69/38/199316938.db2.gz FCJZIZSHZZMKPA-CQSZACIVSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057720896 343636174 /nfs/dbraw/zinc/63/61/74/343636174.db2.gz OGHGKWALWMHSDE-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(CO)CC1 ZINC000449580741 282291235 /nfs/dbraw/zinc/29/12/35/282291235.db2.gz TZEHLPUCOLXABA-UHFFFAOYSA-N 1 0 294.351 2.246 20 5 CEBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000062053096 343670339 /nfs/dbraw/zinc/67/03/39/343670339.db2.gz DBCAWRJDNMUHRJ-UHFFFAOYSA-N 1 0 287.319 2.467 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000066137407 343707779 /nfs/dbraw/zinc/70/77/79/343707779.db2.gz GZTGJMZZXVHBDQ-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1NC)C1CC1 ZINC000567965340 299102238 /nfs/dbraw/zinc/10/22/38/299102238.db2.gz CDCOZTYBGBDYOM-UHFFFAOYSA-N 1 0 292.339 2.059 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000351518960 219111713 /nfs/dbraw/zinc/11/17/13/219111713.db2.gz SWUYODJNTHEIRZ-GJZGRUSLSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000069138551 343781338 /nfs/dbraw/zinc/78/13/38/343781338.db2.gz NSMVNHXKEHLWIK-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000075606156 343858878 /nfs/dbraw/zinc/85/88/78/343858878.db2.gz YWQORURCJSFGIN-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO C[NH+](C)CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000075669253 343862008 /nfs/dbraw/zinc/86/20/08/343862008.db2.gz FRWZIOBJJOPLTJ-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO CCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000075858850 343869368 /nfs/dbraw/zinc/86/93/68/343869368.db2.gz OLUPEWXIXYWODW-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO CCC1(O)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858909 343869492 /nfs/dbraw/zinc/86/94/92/343869492.db2.gz VNXYIQYRSHCGRE-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000076225740 343885856 /nfs/dbraw/zinc/88/58/56/343885856.db2.gz YWWYVZYMGNLWRX-UHFFFAOYSA-N 1 0 297.355 2.430 20 5 CEBDRO CC1(C)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000077382877 343918524 /nfs/dbraw/zinc/91/85/24/343918524.db2.gz SYUHLBZEVXVQAA-ZDUSSCGKSA-N 1 0 294.351 2.209 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(CC)nn2C)C1 ZINC000091457758 344163855 /nfs/dbraw/zinc/16/38/55/344163855.db2.gz QLBWIMDWFLXOAB-LLVKDONJSA-N 1 0 295.387 2.035 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000091480264 344164769 /nfs/dbraw/zinc/16/47/69/344164769.db2.gz HWFZCXSPXPRZGP-AWEZNQCLSA-N 1 0 279.340 2.118 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927538 344131429 /nfs/dbraw/zinc/13/14/29/344131429.db2.gz IHWGIBNWCONVLN-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089931743 344132511 /nfs/dbraw/zinc/13/25/11/344132511.db2.gz FBIMKYZHUUVKHH-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602443674 347035968 /nfs/dbraw/zinc/03/59/68/347035968.db2.gz HOUQRTGHKKFSAJ-SECBINFHSA-N 1 0 254.334 2.195 20 5 CEBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049480639 362367218 /nfs/dbraw/zinc/36/72/18/362367218.db2.gz CEEJTOLGPIYUGG-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093342898 344221167 /nfs/dbraw/zinc/22/11/67/344221167.db2.gz JKPICXRDPYIFSV-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO CCc1nn(C)c(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000094133722 344233985 /nfs/dbraw/zinc/23/39/85/344233985.db2.gz SAOLHDGLKCBNNJ-LLVKDONJSA-N 1 0 297.403 2.279 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C)c1 ZINC000092623067 344197022 /nfs/dbraw/zinc/19/70/22/344197022.db2.gz XWHCRUNAIFZVTD-SECBINFHSA-N 1 0 283.303 2.249 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)c1 ZINC000092649977 344197532 /nfs/dbraw/zinc/19/75/32/344197532.db2.gz RHUPTPDCSWPQIQ-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO Cn1cc(C[N@H+](C)CCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602439176 347033127 /nfs/dbraw/zinc/03/31/27/347033127.db2.gz IOYMEMHRPGCHST-UHFFFAOYSA-N 1 0 288.351 2.393 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602460247 347041890 /nfs/dbraw/zinc/04/18/90/347041890.db2.gz XIKIESDKPOIZKU-LLVKDONJSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541747 344337460 /nfs/dbraw/zinc/33/74/60/344337460.db2.gz VXYOEGPDXSHMDP-QWHCGFSZSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129266741 344342645 /nfs/dbraw/zinc/34/26/45/344342645.db2.gz OAZKUQNURXYUFL-PSASIEDQSA-N 1 0 297.742 2.200 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000153176356 344429083 /nfs/dbraw/zinc/42/90/83/344429083.db2.gz VHQHHJHTXVULEZ-BETUJISGSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(F)c1 ZINC000153811737 344430699 /nfs/dbraw/zinc/43/06/99/344430699.db2.gz KBANXKJBGBZCRY-CQSZACIVSA-N 1 0 280.299 2.346 20 5 CEBDRO CCO[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156086495 344440979 /nfs/dbraw/zinc/44/09/79/344440979.db2.gz QOPSEBQYSSGNEA-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000050105124 362401559 /nfs/dbraw/zinc/40/15/59/362401559.db2.gz UCMVYFIHYCWWSN-AWEZNQCLSA-N 1 0 278.352 2.374 20 5 CEBDRO COc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000228560705 344560662 /nfs/dbraw/zinc/56/06/62/344560662.db2.gz XCNBYJJHZFFKQP-VIFPVBQESA-N 1 0 290.279 2.078 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000228560497 344561107 /nfs/dbraw/zinc/56/11/07/344561107.db2.gz FQUGKQKBDSKYST-JTQLQIEISA-N 1 0 274.280 2.378 20 5 CEBDRO CSC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229359701 344566711 /nfs/dbraw/zinc/56/67/11/344566711.db2.gz CHECZIJEYCIFPG-SNVBAGLBSA-N 1 0 254.355 2.478 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229964876 344569392 /nfs/dbraw/zinc/56/93/92/344569392.db2.gz GSWFFLXJKUCLOQ-GFCCVEGCSA-N 1 0 275.312 2.035 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965005 344569481 /nfs/dbraw/zinc/56/94/81/344569481.db2.gz PXTUESVVIAPCJK-ZDUSSCGKSA-N 1 0 289.339 2.229 20 5 CEBDRO CC[C@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926709 344569647 /nfs/dbraw/zinc/56/96/47/344569647.db2.gz PWEQQGCUXVUSKO-QMMMGPOBSA-N 1 0 281.703 2.239 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235438639 344590875 /nfs/dbraw/zinc/59/08/75/344590875.db2.gz DNAVGEUFTXITCN-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000235729026 344592412 /nfs/dbraw/zinc/59/24/12/344592412.db2.gz GOADVMOCCWYCBB-AWEZNQCLSA-N 1 0 264.325 2.296 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)[NH3+] ZINC000236796265 344597934 /nfs/dbraw/zinc/59/79/34/344597934.db2.gz MPXLSDKDSOCCOO-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237516657 344602333 /nfs/dbraw/zinc/60/23/33/344602333.db2.gz DPBYEWATSQFRGX-IUCAKERBSA-N 1 0 297.742 2.200 20 5 CEBDRO CSCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000237512699 344602535 /nfs/dbraw/zinc/60/25/35/344602535.db2.gz QSLXCTYTMYGCLB-JTQLQIEISA-N 1 0 297.380 2.265 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297500 362490811 /nfs/dbraw/zinc/49/08/11/362490811.db2.gz MAQVDIQVWIHLEV-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000602521561 347065412 /nfs/dbraw/zinc/06/54/12/347065412.db2.gz PRKCTIQSSQXIBI-DLBZAZTESA-N 1 0 298.342 2.385 20 5 CEBDRO CC[N@H+](CCCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000266596100 344662021 /nfs/dbraw/zinc/66/20/21/344662021.db2.gz VSADYSJXIQJADJ-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO Cc1ccc(OCc2nc(C(C)(C)[NH3+])no2)cc1[N+](=O)[O-] ZINC000314526575 344745805 /nfs/dbraw/zinc/74/58/05/344745805.db2.gz GYUGJXRSNIFQKI-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293357832 344691910 /nfs/dbraw/zinc/69/19/10/344691910.db2.gz IFVBEELKOAASFZ-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCCO3)nc2c1 ZINC000602522412 347065961 /nfs/dbraw/zinc/06/59/61/347065961.db2.gz UECWNXXLCVBCFC-LLVKDONJSA-N 1 0 291.307 2.395 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OCC[C@@H]1CC[NH2+]C1 ZINC000302616098 344704323 /nfs/dbraw/zinc/70/43/23/344704323.db2.gz ZABQJSNBYIFYDF-QMMMGPOBSA-N 1 0 271.704 2.022 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000602551440 347073084 /nfs/dbraw/zinc/07/30/84/347073084.db2.gz DGIOYRKIQDIXEM-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000401151514 344866707 /nfs/dbraw/zinc/86/67/07/344866707.db2.gz FQVNWBJGOPIWDA-WPRPVWTQSA-N 1 0 268.292 2.024 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404297802 344879364 /nfs/dbraw/zinc/87/93/64/344879364.db2.gz YATUIOVAHLEXOZ-KOLCDFICSA-N 1 0 297.380 2.246 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](C)O ZINC000584586027 344959703 /nfs/dbraw/zinc/95/97/03/344959703.db2.gz IGBQPMPKPDCGDM-SFYZADRCSA-N 1 0 292.257 2.473 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584836346 344992161 /nfs/dbraw/zinc/99/21/61/344992161.db2.gz JJWDEDXXEPIHOM-HIFRSBDPSA-N 1 0 291.351 2.119 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054241164 362520436 /nfs/dbraw/zinc/52/04/36/362520436.db2.gz IXSMQYYEXJRFNM-SNVBAGLBSA-N 1 0 267.304 2.488 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590656211 345155914 /nfs/dbraw/zinc/15/59/14/345155914.db2.gz GAOXSVPLBYNONF-SECBINFHSA-N 1 0 278.308 2.254 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)c(F)c1 ZINC000591159698 345226425 /nfs/dbraw/zinc/22/64/25/345226425.db2.gz GJIOHEIBKXUCJZ-UHFFFAOYSA-N 1 0 280.303 2.169 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243926 345233807 /nfs/dbraw/zinc/23/38/07/345233807.db2.gz XMNDYJSINDKEFD-RYUDHWBXSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448127 345257149 /nfs/dbraw/zinc/25/71/49/345257149.db2.gz DBCIHUOBPHQKFB-BZPMIXESSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591435551 345253637 /nfs/dbraw/zinc/25/36/37/345253637.db2.gz JXZQHUQGDWTDJD-PHIMTYICSA-N 1 0 265.288 2.065 20 5 CEBDRO CCOc1ccc([C@@H](C)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577199 345265343 /nfs/dbraw/zinc/26/53/43/345265343.db2.gz ALDFKQLXOVYGDD-LLVKDONJSA-N 1 0 293.367 2.396 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCNC1CC1)C1CC1 ZINC000591577323 345266234 /nfs/dbraw/zinc/26/62/34/345266234.db2.gz PVAUOPZKJAPVQO-OAHLLOKOSA-N 1 0 289.379 2.258 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427760 345352240 /nfs/dbraw/zinc/35/22/40/345352240.db2.gz ZDQUCQYUOMMTSC-KGLIPLIRSA-N 1 0 277.368 2.462 20 5 CEBDRO CC1([NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592431638 345352495 /nfs/dbraw/zinc/35/24/95/345352495.db2.gz UOODUKKBJXQLOM-GQCTYLIASA-N 1 0 275.352 2.421 20 5 CEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000592433876 345352543 /nfs/dbraw/zinc/35/25/43/345352543.db2.gz HYAVPTDLPKDZEI-JSGCOSHPSA-N 1 0 281.331 2.035 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH3+])CC1 ZINC000592484935 345359498 /nfs/dbraw/zinc/35/94/98/345359498.db2.gz JQWWKUYEZRRVAL-LLVKDONJSA-N 1 0 263.341 2.469 20 5 CEBDRO CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489502 345359706 /nfs/dbraw/zinc/35/97/06/345359706.db2.gz YCWVBEORJPVNFC-CHWSQXEVSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081365 345434693 /nfs/dbraw/zinc/43/46/93/345434693.db2.gz CQXADLRGPZGHDM-GFCCVEGCSA-N 1 0 278.352 2.435 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593187200 345451149 /nfs/dbraw/zinc/45/11/49/345451149.db2.gz HBRYUHRXNFKSBJ-QJPTWQEYSA-N 1 0 291.351 2.148 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127434888 187305652 /nfs/dbraw/zinc/30/56/52/187305652.db2.gz MMELXCBQPCPPJT-CYBMUJFWSA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733304 345529480 /nfs/dbraw/zinc/52/94/80/345529480.db2.gz LENPBAYCYYOGAB-SMDDNHRTSA-N 1 0 293.367 2.250 20 5 CEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593882466 345547481 /nfs/dbraw/zinc/54/74/81/345547481.db2.gz IBPFHQISYJLXNM-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640210 345664396 /nfs/dbraw/zinc/66/43/96/345664396.db2.gz DEMHJQRFBHRTOE-GFCCVEGCSA-N 1 0 275.312 2.221 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127451819 187307843 /nfs/dbraw/zinc/30/78/43/187307843.db2.gz XWESNHVPIVNJCE-HVHJFMEUSA-N 1 0 291.351 2.098 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594708829 345675658 /nfs/dbraw/zinc/67/56/58/345675658.db2.gz CBILISHKIUSSAI-SLEUVZQESA-N 1 0 294.351 2.297 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594712256 345676795 /nfs/dbraw/zinc/67/67/95/345676795.db2.gz UKWGYVSHGPCXIK-CORIIIEPSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[C@@H](C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594717704 345677995 /nfs/dbraw/zinc/67/79/95/345677995.db2.gz FIMINQICOFJRED-OLZOCXBDSA-N 1 0 296.367 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCOCC3)nc2c1 ZINC000602580515 347087148 /nfs/dbraw/zinc/08/71/48/347087148.db2.gz FCZDEVSMSVHQTE-JTQLQIEISA-N 1 0 291.307 2.395 20 5 CEBDRO CC[C@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595070768 345739650 /nfs/dbraw/zinc/73/96/50/345739650.db2.gz NJUUCQXLIKPBJI-SCOBNMCVSA-N 1 0 250.298 2.184 20 5 CEBDRO CC[C@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595070767 345739726 /nfs/dbraw/zinc/73/97/26/345739726.db2.gz NJUUCQXLIKPBJI-OOPCZODUSA-N 1 0 250.298 2.184 20 5 CEBDRO Cc1cc(NC(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595230167 345746604 /nfs/dbraw/zinc/74/66/04/345746604.db2.gz ADPXTJJUEYUSRI-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595232838 345746851 /nfs/dbraw/zinc/74/68/51/345746851.db2.gz BFUDUWGSVQUIMF-UHFFFAOYSA-N 1 0 294.355 2.413 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312429 345760146 /nfs/dbraw/zinc/76/01/46/345760146.db2.gz MLYAURMZMOIIMS-GXFFZTMASA-N 1 0 282.315 2.469 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000594933993 345708123 /nfs/dbraw/zinc/70/81/23/345708123.db2.gz BYBVVFBSZYSPOP-OCCSQVGLSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000594972045 345720353 /nfs/dbraw/zinc/72/03/53/345720353.db2.gz WECYLDPIFPTMQV-LBPRGKRZSA-N 1 0 286.278 2.417 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000594990375 345722466 /nfs/dbraw/zinc/72/24/66/345722466.db2.gz YNXRTGMLFZRPCK-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cs1 ZINC000594990334 345722490 /nfs/dbraw/zinc/72/24/90/345722490.db2.gz XDEJZDRLMYPCKA-NXEZZACHSA-N 1 0 268.338 2.049 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594996067 345723427 /nfs/dbraw/zinc/72/34/27/345723427.db2.gz RHRDVTUUHMTQNB-OLZOCXBDSA-N 1 0 250.298 2.170 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000595009268 345725964 /nfs/dbraw/zinc/72/59/64/345725964.db2.gz BHHUCHZXEVRANZ-QWRGUYRKSA-N 1 0 280.324 2.433 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000595012046 345726697 /nfs/dbraw/zinc/72/66/97/345726697.db2.gz MWHIUUNZAAZWEE-CQSZACIVSA-N 1 0 286.335 2.459 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021456 345728695 /nfs/dbraw/zinc/72/86/95/345728695.db2.gz XVQKDIZLIZOVIY-QMTHXVAHSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000595024187 345729331 /nfs/dbraw/zinc/72/93/31/345729331.db2.gz YIFALTTYNCWNPE-NXEZZACHSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000595024190 345729365 /nfs/dbraw/zinc/72/93/65/345729365.db2.gz YIFALTTYNCWNPE-ZJUUUORDSA-N 1 0 282.340 2.413 20 5 CEBDRO COC[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000595060298 345737530 /nfs/dbraw/zinc/73/75/30/345737530.db2.gz MMAAPXMPJWTFGU-SMDDNHRTSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064681 345738046 /nfs/dbraw/zinc/73/80/46/345738046.db2.gz AFEBXJBICZPYSZ-QWRGUYRKSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1noc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000595339419 345764606 /nfs/dbraw/zinc/76/46/06/345764606.db2.gz OISRYIYHDZCTCL-UWVGGRQHSA-N 1 0 251.286 2.123 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595388718 345772211 /nfs/dbraw/zinc/77/22/11/345772211.db2.gz LLTILVXMOQZHTN-LBPRGKRZSA-N 1 0 295.339 2.140 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595439014 345782693 /nfs/dbraw/zinc/78/26/93/345782693.db2.gz VXOFUNLVCBTKQB-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO Cc1noc(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595490160 345794303 /nfs/dbraw/zinc/79/43/03/345794303.db2.gz DSTIKDJOQYSJAB-JQWIXIFHSA-N 1 0 297.355 2.407 20 5 CEBDRO C[C@@H]1[C@H](O)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595514981 345801366 /nfs/dbraw/zinc/80/13/66/345801366.db2.gz UYHIQPBDNKRPRF-NOZJJQNGSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1O ZINC000595746171 345864797 /nfs/dbraw/zinc/86/47/97/345864797.db2.gz YCUXATGBUHFVHD-NXEZZACHSA-N 1 0 282.315 2.183 20 5 CEBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595748861 345866008 /nfs/dbraw/zinc/86/60/08/345866008.db2.gz ITEUSKMFHSYEKY-QWRGUYRKSA-N 1 0 264.325 2.044 20 5 CEBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595866477 345901444 /nfs/dbraw/zinc/90/14/44/345901444.db2.gz HQEZWTAXMOXUSQ-QWHCGFSZSA-N 1 0 293.367 2.410 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2=CCCC2)c1 ZINC000596067302 345931747 /nfs/dbraw/zinc/93/17/47/345931747.db2.gz YYRPMQRAWPPDIE-CQSZACIVSA-N 1 0 292.335 2.034 20 5 CEBDRO COCC[N@@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596078401 345934512 /nfs/dbraw/zinc/93/45/12/345934512.db2.gz VJQXKEBUZLOMHA-UHFFFAOYSA-N 1 0 299.396 2.123 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@@H+](C3CC3)C1)CCN2 ZINC000596091517 345937946 /nfs/dbraw/zinc/93/79/46/345937946.db2.gz LTBAMWKELHQCLT-JTQLQIEISA-N 1 0 288.351 2.211 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCCF ZINC000596095062 345938846 /nfs/dbraw/zinc/93/88/46/345938846.db2.gz NYZGFJNTZWNSNJ-JTQLQIEISA-N 1 0 286.303 2.240 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596205457 345968554 /nfs/dbraw/zinc/96/85/54/345968554.db2.gz IHWXMYPUAUCJEA-UHFFFAOYSA-N 1 0 294.355 2.008 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000128291889 187361721 /nfs/dbraw/zinc/36/17/21/187361721.db2.gz FJOLRAXMANPPFC-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nccn1C ZINC000596543914 346051113 /nfs/dbraw/zinc/05/11/13/346051113.db2.gz PRFYMKWDEGUCKH-ZETCQYMHSA-N 1 0 292.324 2.211 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477276 346033260 /nfs/dbraw/zinc/03/32/60/346033260.db2.gz IQUDOWMQXWJXIU-NSHDSACASA-N 1 0 293.371 2.147 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC13CC(C1)C[NH2+]3)CCC2 ZINC000596653857 346072830 /nfs/dbraw/zinc/07/28/30/346072830.db2.gz LWYRLNBBYYCXGT-AJQRCPHMSA-N 1 0 287.363 2.314 20 5 CEBDRO Cc1ccc([C@@H](C)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596653461 346072990 /nfs/dbraw/zinc/07/29/90/346072990.db2.gz KODVUSUNJJXMOT-XIKARTHZSA-N 1 0 275.352 2.306 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597071336 346123365 /nfs/dbraw/zinc/12/33/65/346123365.db2.gz USQNJXDHGDMGLA-UKRRQHHQSA-N 1 0 276.336 2.294 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CN(C)C1 ZINC000597207943 346148806 /nfs/dbraw/zinc/14/88/06/346148806.db2.gz XLSLDWUFKOMEQV-QPEQYQDCSA-N 1 0 289.379 2.492 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212600 346150313 /nfs/dbraw/zinc/15/03/13/346150313.db2.gz VVFDPXJZXGPCIO-DZGCQCFKSA-N 1 0 276.336 2.372 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597858793 346239852 /nfs/dbraw/zinc/23/98/52/346239852.db2.gz PCINQBKKIKMPBJ-JTQLQIEISA-N 1 0 297.380 2.259 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925827 346254301 /nfs/dbraw/zinc/25/43/01/346254301.db2.gz RYTKDTFGUQTYEJ-LBPRGKRZSA-N 1 0 291.351 2.197 20 5 CEBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000598682895 346400359 /nfs/dbraw/zinc/40/03/59/346400359.db2.gz QEZDGYIPUHHLEA-YGRLFVJLSA-N 1 0 279.315 2.047 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000598717272 346407165 /nfs/dbraw/zinc/40/71/65/346407165.db2.gz CVHLQVCHFLPPAO-UHFFFAOYSA-N 1 0 291.351 2.034 20 5 CEBDRO CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351244 362718351 /nfs/dbraw/zinc/71/83/51/362718351.db2.gz KUEMYSAUQKDUOS-CQSZACIVSA-N 1 0 264.325 2.360 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128405223 187368113 /nfs/dbraw/zinc/36/81/13/187368113.db2.gz QPHBAVVEJSJKJJ-UHFFFAOYSA-N 1 0 283.303 2.404 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599015409 346445887 /nfs/dbraw/zinc/44/58/87/346445887.db2.gz DWCJUTNFGHFRNF-BJHJDKERSA-N 1 0 250.298 2.109 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598912837 346433339 /nfs/dbraw/zinc/43/33/39/346433339.db2.gz BIENTBUIHXCYKR-NSHDSACASA-N 1 0 298.318 2.229 20 5 CEBDRO CN1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598993337 346443432 /nfs/dbraw/zinc/44/34/32/346443432.db2.gz KUYNNJGMNOGTPV-HJHHMULASA-N 1 0 275.352 2.292 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599069733 346455892 /nfs/dbraw/zinc/45/58/92/346455892.db2.gz HKKBIGAOALDVRE-OBJOEFQTSA-N 1 0 291.351 2.290 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599084094 346458122 /nfs/dbraw/zinc/45/81/22/346458122.db2.gz ZQLDAODHAHSDCQ-RRFJBIMHSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164708 346470357 /nfs/dbraw/zinc/47/03/57/346470357.db2.gz KERAKWKNRPEOFG-CYBMUJFWSA-N 1 0 290.367 2.149 20 5 CEBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000599182143 346475277 /nfs/dbraw/zinc/47/52/77/346475277.db2.gz ZNFSDBLDPGOBEZ-DTWKUNHWSA-N 1 0 284.747 2.220 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599614965 346546396 /nfs/dbraw/zinc/54/63/96/346546396.db2.gz WSRPFODTZGSSPS-ZYHUDNBSSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000600679428 346672998 /nfs/dbraw/zinc/67/29/98/346672998.db2.gz KEYPNWLBJSJDNH-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000600310555 346632922 /nfs/dbraw/zinc/63/29/22/346632922.db2.gz JXNUHUSECPXOIK-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000600951524 346715225 /nfs/dbraw/zinc/71/52/25/346715225.db2.gz LSMHJLAADLVKGF-VHSXEESVSA-N 1 0 287.323 2.090 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000600749698 346683610 /nfs/dbraw/zinc/68/36/10/346683610.db2.gz REULLHUAVWEXKI-BETUJISGSA-N 1 0 281.381 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cccc3c2C[NH2+]CC3)c1 ZINC000600793390 346691602 /nfs/dbraw/zinc/69/16/02/346691602.db2.gz OBBDDCUTXRAHHW-UHFFFAOYSA-N 1 0 298.342 2.442 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000600822915 346696524 /nfs/dbraw/zinc/69/65/24/346696524.db2.gz CHKXKRNQMPAVOZ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)n1ncnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000601115434 346757219 /nfs/dbraw/zinc/75/72/19/346757219.db2.gz ZNTRVSZIBZKLHG-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129370336 365850694 /nfs/dbraw/zinc/85/06/94/365850694.db2.gz RCCOJJGNZJPZJL-WDEREUQCSA-N 1 0 276.340 2.335 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601139583 346766191 /nfs/dbraw/zinc/76/61/91/346766191.db2.gz GHYJJHDSENFOPI-GFCCVEGCSA-N 1 0 252.314 2.236 20 5 CEBDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812414 365851495 /nfs/dbraw/zinc/85/14/95/365851495.db2.gz AFRYOVYJMILNAX-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@](CO)([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148488 346769840 /nfs/dbraw/zinc/76/98/40/346769840.db2.gz COEDBPOKUIVQAV-RISCZKNCSA-N 1 0 296.392 2.145 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601163345 346773940 /nfs/dbraw/zinc/77/39/40/346773940.db2.gz IHLGVWQQQOAUFR-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO CN(c1ncc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000601164850 346774273 /nfs/dbraw/zinc/77/42/73/346774273.db2.gz HASRCHJFSQEUCU-FOSCPWQOSA-N 1 0 294.330 2.190 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814620 365854735 /nfs/dbraw/zinc/85/47/35/365854735.db2.gz XPYWANCBCZLWIA-GXSJLCMTSA-N 1 0 268.288 2.391 20 5 CEBDRO C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])Cn1ccnc1 ZINC000601105701 346753890 /nfs/dbraw/zinc/75/38/90/346753890.db2.gz MMPYKLXCPNHRJX-VIFPVBQESA-N 1 0 279.275 2.074 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602778647 347194486 /nfs/dbraw/zinc/19/44/86/347194486.db2.gz MUACBKGEWWIEGR-LLVKDONJSA-N 1 0 268.361 2.468 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783198 347196264 /nfs/dbraw/zinc/19/62/64/347196264.db2.gz NOIFHGQTOHTUQN-NQBHXWOUSA-N 1 0 278.356 2.481 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000602797118 347203282 /nfs/dbraw/zinc/20/32/82/347203282.db2.gz BNTVRJRANSJCFY-RYUDHWBXSA-N 1 0 280.372 2.468 20 5 CEBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818205 347212720 /nfs/dbraw/zinc/21/27/20/347212720.db2.gz LVTMFLDBDIJMMR-PWSUYJOCSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[C@H](CSC)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602802999 347205748 /nfs/dbraw/zinc/20/57/48/347205748.db2.gz UKRSXIGQRIFCJS-LLVKDONJSA-N 1 0 286.401 2.173 20 5 CEBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602850632 347224022 /nfs/dbraw/zinc/22/40/22/347224022.db2.gz QBVGFIWJIJKRSV-CYBMUJFWSA-N 1 0 278.356 2.483 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000603406444 347361411 /nfs/dbraw/zinc/36/14/11/347361411.db2.gz LVCYYZBDRNUWEW-MNOVXSKESA-N 1 0 264.329 2.130 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000603436893 347370116 /nfs/dbraw/zinc/37/01/16/347370116.db2.gz GRLHEVNRQKAWQH-LQPUYASZSA-N 1 0 294.351 2.410 20 5 CEBDRO C[NH+](C)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609138410 347627361 /nfs/dbraw/zinc/62/73/61/347627361.db2.gz APILHFQFJPKUAX-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609135651 347627413 /nfs/dbraw/zinc/62/74/13/347627413.db2.gz UYINJIFXJCQZGB-NSHDSACASA-N 1 0 297.380 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000609204570 347630823 /nfs/dbraw/zinc/63/08/23/347630823.db2.gz XBWOZGWEJMIOAM-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609574301 347643954 /nfs/dbraw/zinc/64/39/54/347643954.db2.gz ZQFYCNWMWNJLJV-NSHDSACASA-N 1 0 277.324 2.102 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000609839936 347652424 /nfs/dbraw/zinc/65/24/24/347652424.db2.gz MBXFAXIYMKGKIU-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000610111956 347660773 /nfs/dbraw/zinc/66/07/73/347660773.db2.gz MYWJCYXZRWMTKS-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO Cc1nc(N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610754846 347711214 /nfs/dbraw/zinc/71/12/14/347711214.db2.gz VVGIXRPZHIDTTJ-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO COc1cc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000610273885 347668150 /nfs/dbraw/zinc/66/81/50/347668150.db2.gz WBZMDAWQCYCIBD-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610990748 347728117 /nfs/dbraw/zinc/72/81/17/347728117.db2.gz LQSLAMBWLLXIQE-GFCCVEGCSA-N 1 0 264.325 2.248 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611091921 347738631 /nfs/dbraw/zinc/73/86/31/347738631.db2.gz CWHUZJSRKYVTBG-GFCCVEGCSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)n1 ZINC000611615597 347799052 /nfs/dbraw/zinc/79/90/52/347799052.db2.gz ISGJPMIXYRKFNW-UHFFFAOYSA-N 1 0 266.345 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1cncn1 ZINC000611472611 347783420 /nfs/dbraw/zinc/78/34/20/347783420.db2.gz TYDMRKYKSBJXDG-GFCCVEGCSA-N 1 0 289.339 2.236 20 5 CEBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000611498456 347786493 /nfs/dbraw/zinc/78/64/93/347786493.db2.gz FILBPERAOALBMS-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086683369 179319907 /nfs/dbraw/zinc/31/99/07/179319907.db2.gz LUDPLHBVPSEMHQ-ZDUSSCGKSA-N 1 0 252.314 2.355 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917778 219247291 /nfs/dbraw/zinc/24/72/91/219247291.db2.gz RCYWGOILWJLMTC-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1sccc1[N+](=O)[O-] ZINC000613702025 348093379 /nfs/dbraw/zinc/09/33/79/348093379.db2.gz PRXIVCUVDRZCRU-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC(C)(C)C1 ZINC000351927865 219251185 /nfs/dbraw/zinc/25/11/85/219251185.db2.gz RWGFNKOHEPAVSE-LBPRGKRZSA-N 1 0 296.371 2.071 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000128793960 187390501 /nfs/dbraw/zinc/39/05/01/187390501.db2.gz MHGNERWKFDCPIF-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351941311 219257871 /nfs/dbraw/zinc/25/78/71/219257871.db2.gz PJIFQSLMWONVMA-UHFFFAOYSA-N 1 0 278.308 2.028 20 5 CEBDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009773 179378671 /nfs/dbraw/zinc/37/86/71/179378671.db2.gz HWLZHRRJSVWEBI-GFCCVEGCSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000271002063 190902353 /nfs/dbraw/zinc/90/23/53/190902353.db2.gz QJDSJDOTSUEQCX-QWRGUYRKSA-N 1 0 292.257 2.386 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000273485507 192170497 /nfs/dbraw/zinc/17/04/97/192170497.db2.gz VPUHGRHOHWMIOX-SMDDNHRTSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000339619723 215272359 /nfs/dbraw/zinc/27/23/59/215272359.db2.gz XNPRMPBWXRAPPN-PHIMTYICSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721705 180031526 /nfs/dbraw/zinc/03/15/26/180031526.db2.gz SQWVXWYDNQTYST-YPMHNXCESA-N 1 0 263.341 2.167 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774133 180038780 /nfs/dbraw/zinc/03/87/80/180038780.db2.gz XQKSTVAMQVAVBC-PWSUYJOCSA-N 1 0 280.324 2.433 20 5 CEBDRO C[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720468 180030501 /nfs/dbraw/zinc/03/05/01/180030501.db2.gz XUFGGAHQBXCYFY-ONGXEEELSA-N 1 0 269.370 2.229 20 5 CEBDRO CCC[C@H]([NH2+]CC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949071 180071110 /nfs/dbraw/zinc/07/11/10/180071110.db2.gz LSHXCOQUNGJKAH-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CC)C1 ZINC000091558989 180191215 /nfs/dbraw/zinc/19/12/15/180191215.db2.gz NJCYSEBFUYNZIQ-NSHDSACASA-N 1 0 281.360 2.016 20 5 CEBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000091549572 180188687 /nfs/dbraw/zinc/18/86/87/180188687.db2.gz IKGKBZKYOMVPIV-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000091549563 180188972 /nfs/dbraw/zinc/18/89/72/180188972.db2.gz HMUJHZXXPIBOFS-GFCCVEGCSA-N 1 0 295.387 2.262 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352194814 219355236 /nfs/dbraw/zinc/35/52/36/219355236.db2.gz MAFSWWABTICDOI-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868268 186144911 /nfs/dbraw/zinc/14/49/11/186144911.db2.gz WFIMYCJVXHNRDO-UKRRQHHQSA-N 1 0 275.352 2.311 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106466526 186119552 /nfs/dbraw/zinc/11/95/52/186119552.db2.gz FUQIUZGAINVPQB-LBPRGKRZSA-N 1 0 295.383 2.423 20 5 CEBDRO CC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504642 186257104 /nfs/dbraw/zinc/25/71/04/186257104.db2.gz UJCDDKFQEBBWIW-MRVPVSSYSA-N 1 0 262.269 2.315 20 5 CEBDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000110646660 186308381 /nfs/dbraw/zinc/30/83/81/186308381.db2.gz OBPLLJDWTBAUPR-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074504 363026604 /nfs/dbraw/zinc/02/66/04/363026604.db2.gz SKIOAHYSDCMWAM-WCQYABFASA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070075246 363026965 /nfs/dbraw/zinc/02/69/65/363026965.db2.gz ZMUPIMZLZAODEE-UTUOFQBUSA-N 1 0 263.341 2.338 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccs2)cc1 ZINC000070160755 363040022 /nfs/dbraw/zinc/04/00/22/363040022.db2.gz CPPCIFRDQCRORF-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361300 363076047 /nfs/dbraw/zinc/07/60/47/363076047.db2.gz NBWRCBNZNSHSIU-PWSUYJOCSA-N 1 0 250.298 2.252 20 5 CEBDRO CCc1ccc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000070497806 363091030 /nfs/dbraw/zinc/09/10/30/363091030.db2.gz VWTFVUBONGJASS-NSHDSACASA-N 1 0 250.298 2.146 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122733552 187047899 /nfs/dbraw/zinc/04/78/99/187047899.db2.gz UHRJMJPNESTJFX-SECBINFHSA-N 1 0 285.369 2.102 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000122828249 187054469 /nfs/dbraw/zinc/05/44/69/187054469.db2.gz LUCMONSOIVSWGF-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000123211068 187078294 /nfs/dbraw/zinc/07/82/94/187078294.db2.gz DZRMCGAMDISVRM-CYBMUJFWSA-N 1 0 292.335 2.288 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236632 187079645 /nfs/dbraw/zinc/07/96/45/187079645.db2.gz KMHRWUSBEHDOBJ-BXUZGUMPSA-N 1 0 280.324 2.051 20 5 CEBDRO COc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000123848665 187111754 /nfs/dbraw/zinc/11/17/54/187111754.db2.gz UCKCGRVFKKBNEK-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[C@@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000136480843 187880565 /nfs/dbraw/zinc/88/05/65/187880565.db2.gz WOEYNRVBUDUYGC-AWEZNQCLSA-N 1 0 293.323 2.074 20 5 CEBDRO COc1cccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000271654979 191261954 /nfs/dbraw/zinc/26/19/54/191261954.db2.gz JVFOJYFEJBSAJH-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000569337805 299195961 /nfs/dbraw/zinc/19/59/61/299195961.db2.gz VAZGGTDFHNXJIY-LLVKDONJSA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000154406051 188140288 /nfs/dbraw/zinc/14/02/88/188140288.db2.gz MFPGRIPQXFQUSJ-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000337231659 366094159 /nfs/dbraw/zinc/09/41/59/366094159.db2.gz XJBITOIGFJHFSL-NXEZZACHSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271731900 191294154 /nfs/dbraw/zinc/29/41/54/191294154.db2.gz SPZLBZLHEXTAFC-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451543681 283028026 /nfs/dbraw/zinc/02/80/26/283028026.db2.gz LPSHXXLKONFYIB-SMDDNHRTSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553179 283032146 /nfs/dbraw/zinc/03/21/46/283032146.db2.gz XSFLUQPNQBVAEP-WCQYABFASA-N 1 0 264.325 2.155 20 5 CEBDRO CCC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074750852 363382409 /nfs/dbraw/zinc/38/24/09/363382409.db2.gz RKJVLOUSRLZNMK-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000451622870 283054272 /nfs/dbraw/zinc/05/42/72/283054272.db2.gz HNEHROJSIKWRIH-YGRLFVJLSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504705 291055624 /nfs/dbraw/zinc/05/56/24/291055624.db2.gz WVEPGYFLCIRLGH-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000172978421 188836831 /nfs/dbraw/zinc/83/68/31/188836831.db2.gz ASICRZMPBVKLMQ-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451808163 283111366 /nfs/dbraw/zinc/11/13/66/283111366.db2.gz DSHCCEHYXBCPJH-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000273008134 192016126 /nfs/dbraw/zinc/01/61/26/192016126.db2.gz IQGVUBDWRFBTEF-GFCCVEGCSA-N 1 0 296.367 2.312 20 5 CEBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000133904982 366266309 /nfs/dbraw/zinc/26/63/09/366266309.db2.gz AQADKUAROMQZFJ-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000452110694 283190134 /nfs/dbraw/zinc/19/01/34/283190134.db2.gz RRKGKPWFRWNOPT-LSDHHAIUSA-N 1 0 290.363 2.494 20 5 CEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000075960932 363502416 /nfs/dbraw/zinc/50/24/16/363502416.db2.gz ZSWWMTXKJYMUPH-JTQLQIEISA-N 1 0 292.339 2.199 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000274336870 192541331 /nfs/dbraw/zinc/54/13/31/192541331.db2.gz HGKSUGDZFMWHDV-UHFFFAOYSA-N 1 0 286.763 2.420 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000134442373 366322481 /nfs/dbraw/zinc/32/24/81/366322481.db2.gz DCAOETUCPDPHFW-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134530630 366334025 /nfs/dbraw/zinc/33/40/25/366334025.db2.gz DEHYPWWJGWQADY-UHFFFAOYSA-N 1 0 295.339 2.209 20 5 CEBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000294039268 198882129 /nfs/dbraw/zinc/88/21/29/198882129.db2.gz XFDUQPRKNLRSEU-UHFFFAOYSA-N 1 0 295.339 2.184 20 5 CEBDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000294687072 199134012 /nfs/dbraw/zinc/13/40/12/199134012.db2.gz IKOIFPCSMZOTMO-JTQLQIEISA-N 1 0 289.339 2.244 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414663000 236436699 /nfs/dbraw/zinc/43/66/99/236436699.db2.gz RUCVRHKCDGVYGH-MNOVXSKESA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000135235814 366414074 /nfs/dbraw/zinc/41/40/74/366414074.db2.gz ULHWVCYFTPYNNY-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000570823622 299278799 /nfs/dbraw/zinc/27/87/99/299278799.db2.gz HQLZRAAIXRQZMI-SNVBAGLBSA-N 1 0 288.307 2.444 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[C@H]3CC[NH2+]C3)c2)c1 ZINC000578064070 366437519 /nfs/dbraw/zinc/43/75/19/366437519.db2.gz QPQSTAHSJULTAV-GFCCVEGCSA-N 1 0 286.335 2.458 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415486340 236675014 /nfs/dbraw/zinc/67/50/14/236675014.db2.gz RNWHPEIZKOVOJB-GFCCVEGCSA-N 1 0 292.339 2.070 20 5 CEBDRO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000136164521 366500032 /nfs/dbraw/zinc/50/00/32/366500032.db2.gz AWTPEDVYAMLEAQ-NHYWBVRUSA-N 1 0 291.351 2.304 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)c1 ZINC000136300559 366507373 /nfs/dbraw/zinc/50/73/73/366507373.db2.gz BTDYEVPFWZLDSZ-SNVBAGLBSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000341207513 215873682 /nfs/dbraw/zinc/87/36/82/215873682.db2.gz TWKZOVBKVAMQFQ-PWSUYJOCSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579690 216021293 /nfs/dbraw/zinc/02/12/93/216021293.db2.gz ZQEAOBCWCPTQAW-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO CC(=O)c1cc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341781702 216100403 /nfs/dbraw/zinc/10/04/03/216100403.db2.gz XFXLYLLOKNCBFP-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000339114594 366658495 /nfs/dbraw/zinc/65/84/95/366658495.db2.gz RDSLUASOIXGMBJ-LBPRGKRZSA-N 1 0 279.340 2.019 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177056853 189024611 /nfs/dbraw/zinc/02/46/11/189024611.db2.gz ZYDCZLCXFSVWRV-SCZZXKLOSA-N 1 0 295.364 2.011 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298455701 200436433 /nfs/dbraw/zinc/43/64/33/200436433.db2.gz WVVMYYIKXOCUCT-TZMCWYRMSA-N 1 0 296.367 2.455 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000178294214 189104078 /nfs/dbraw/zinc/10/40/78/189104078.db2.gz SEKYDROHZIGKAG-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373501 189111119 /nfs/dbraw/zinc/11/11/19/189111119.db2.gz KDTYSVXLENEKSK-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1c([C@H](C)[NH2+]Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000178513028 189122874 /nfs/dbraw/zinc/12/28/74/189122874.db2.gz BUUALRVUWXACQV-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380016 189111917 /nfs/dbraw/zinc/11/19/17/189111917.db2.gz FMEIXHXGTWGATP-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000179567101 189202874 /nfs/dbraw/zinc/20/28/74/189202874.db2.gz ZQXMJTUJJRDNEX-NSHDSACASA-N 1 0 280.324 2.317 20 5 CEBDRO CC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000179872877 189225460 /nfs/dbraw/zinc/22/54/60/189225460.db2.gz SPGUKMDXQQAABR-XHDPSFHLSA-N 1 0 291.351 2.304 20 5 CEBDRO CC[C@@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000180248786 189246280 /nfs/dbraw/zinc/24/62/80/189246280.db2.gz JVDVCLGKFOZHJT-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO CC1(C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929808 189310434 /nfs/dbraw/zinc/31/04/34/189310434.db2.gz SGTWBRWUPJHOTC-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000154954262 366800408 /nfs/dbraw/zinc/80/04/08/366800408.db2.gz MKCDTKUFLRKMQS-GFCCVEGCSA-N 1 0 290.367 2.443 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000184231162 189380016 /nfs/dbraw/zinc/38/00/16/189380016.db2.gz AGUUKAPQVVOVKL-SNVBAGLBSA-N 1 0 298.314 2.211 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092585 361578556 /nfs/dbraw/zinc/57/85/56/361578556.db2.gz YZVNVYAHJBPLQF-MFKMUULPSA-N 1 0 250.298 2.424 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000301879032 201245694 /nfs/dbraw/zinc/24/56/94/201245694.db2.gz UNGAGPCZHZXERH-GJZGRUSLSA-N 1 0 291.351 2.260 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000301951444 201274479 /nfs/dbraw/zinc/27/44/79/201274479.db2.gz HLMOAGSPUIJZHO-JTQLQIEISA-N 1 0 297.330 2.130 20 5 CEBDRO Cc1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000302034766 201310874 /nfs/dbraw/zinc/31/08/74/201310874.db2.gz UFNNSCJJOUIUJM-UHFFFAOYSA-N 1 0 251.330 2.291 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000084439839 363809733 /nfs/dbraw/zinc/80/97/33/363809733.db2.gz XSDXJBJBNSHCPZ-SECBINFHSA-N 1 0 270.716 2.374 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440126 363811096 /nfs/dbraw/zinc/81/10/96/363811096.db2.gz GKPJKSZNGQCUCQ-GFCCVEGCSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000088147788 363879292 /nfs/dbraw/zinc/87/92/92/363879292.db2.gz AEJOACSKXFJYEY-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090010119 364035720 /nfs/dbraw/zinc/03/57/20/364035720.db2.gz PAAAGDXACPPFSB-OAHLLOKOSA-N 1 0 276.336 2.248 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000090525691 364062876 /nfs/dbraw/zinc/06/28/76/364062876.db2.gz FETIQQODGNMWRH-AWEZNQCLSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccco3)C2)nc1 ZINC000093534214 364197740 /nfs/dbraw/zinc/19/77/40/364197740.db2.gz OZWNLAUBPLFRMM-LLVKDONJSA-N 1 0 288.307 2.269 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093839854 364232714 /nfs/dbraw/zinc/23/27/14/364232714.db2.gz PZROITUVIIMXDN-CYBMUJFWSA-N 1 0 264.325 2.372 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094941726 364309742 /nfs/dbraw/zinc/30/97/42/364309742.db2.gz FFRUQMQDUOWWFY-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000111828778 364762418 /nfs/dbraw/zinc/76/24/18/364762418.db2.gz GPQCJVCPCLVFRA-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245411273 370816446 /nfs/dbraw/zinc/81/64/46/370816446.db2.gz WCKOBEMJSZIKSK-NEPJUHHUSA-N 1 0 291.351 2.243 20 5 CEBDRO C[C@@H](CCn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000159177651 366885555 /nfs/dbraw/zinc/88/55/55/366885555.db2.gz QMSREMZZRPTSRC-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000275822691 193139052 /nfs/dbraw/zinc/13/90/52/193139052.db2.gz KBTMVZPEHHKJQE-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236612 366892432 /nfs/dbraw/zinc/89/24/32/366892432.db2.gz YUWSSVRMKQEJMQ-SMDDNHRTSA-N 1 0 264.325 2.330 20 5 CEBDRO CCOC1CC(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000586769028 367188971 /nfs/dbraw/zinc/18/89/71/367188971.db2.gz HSIOKRJXLKDOQN-UHFFFAOYSA-N 1 0 291.351 2.163 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccncc1[N+](=O)[O-] ZINC000341135720 367189527 /nfs/dbraw/zinc/18/95/27/367189527.db2.gz YPQWYXIMIYDTME-VXGBXAGGSA-N 1 0 278.356 2.087 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864265 367198141 /nfs/dbraw/zinc/19/81/41/367198141.db2.gz QXNZPQOZKVCYQA-UWVGGRQHSA-N 1 0 284.743 2.451 20 5 CEBDRO Cn1ccnc1[C@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000343266448 367732274 /nfs/dbraw/zinc/73/22/74/367732274.db2.gz DKKNUSAOHBHBNJ-SECBINFHSA-N 1 0 279.325 2.348 20 5 CEBDRO C[C@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000172591944 367782260 /nfs/dbraw/zinc/78/22/60/367782260.db2.gz GTTUNUVWANSRJY-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051544 370886621 /nfs/dbraw/zinc/88/66/21/370886621.db2.gz WODRHCBQGHGGDG-SNPRPXQTSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343451053 367821676 /nfs/dbraw/zinc/82/16/76/367821676.db2.gz NTUONWMZYJCZRP-SMDDNHRTSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343588292 367902148 /nfs/dbraw/zinc/90/21/48/367902148.db2.gz FWKZEOIIKIBOPP-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000173920527 367960499 /nfs/dbraw/zinc/96/04/99/367960499.db2.gz DEMKSWPJQSVEJJ-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000174655967 368053908 /nfs/dbraw/zinc/05/39/08/368053908.db2.gz QTQDHRMHRXHZJB-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179576172 368342643 /nfs/dbraw/zinc/34/26/43/368342643.db2.gz JGWKRKMMDRMVNU-JTQLQIEISA-N 1 0 266.297 2.008 20 5 CEBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348275572 368980249 /nfs/dbraw/zinc/98/02/49/368980249.db2.gz JQSMPQZJVMFSDR-IUCAKERBSA-N 1 0 292.261 2.064 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000348159643 368926204 /nfs/dbraw/zinc/92/62/04/368926204.db2.gz KJTNONYWRPWAGZ-CHWSQXEVSA-N 1 0 294.351 2.244 20 5 CEBDRO CC1(CO)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186947353 369073104 /nfs/dbraw/zinc/07/31/04/369073104.db2.gz KZKWDOCIMWXYBF-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186818348 369050938 /nfs/dbraw/zinc/05/09/38/369050938.db2.gz NXNAYMCLNVTURN-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CO ZINC000349274513 369286464 /nfs/dbraw/zinc/28/64/64/369286464.db2.gz GADPSYBCQKZTIL-RDQDRAATSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000349414232 369323841 /nfs/dbraw/zinc/32/38/41/369323841.db2.gz MXSMZBROPUKNCC-VXGBXAGGSA-N 1 0 292.383 2.395 20 5 CEBDRO CC[NH+](CC)CCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000188322034 369338626 /nfs/dbraw/zinc/33/86/26/369338626.db2.gz ZEAKTMKIHOQHQN-UHFFFAOYSA-N 1 0 267.329 2.409 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000189078468 369453446 /nfs/dbraw/zinc/45/34/46/369453446.db2.gz VHUMFVOOHOCZHC-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889537 203359014 /nfs/dbraw/zinc/35/90/14/203359014.db2.gz BKAXGOTZCRRUOW-PHIMTYICSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897383 203365595 /nfs/dbraw/zinc/36/55/95/203365595.db2.gz HMDBPGPLQRMIMN-RYUDHWBXSA-N 1 0 291.351 2.084 20 5 CEBDRO C[N@@H+]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000350255029 369528349 /nfs/dbraw/zinc/52/83/49/369528349.db2.gz LQIMPTKPATYECY-SSDOTTSWSA-N 1 0 280.309 2.125 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189962521 369583269 /nfs/dbraw/zinc/58/32/69/369583269.db2.gz JPLUTTIEDBNDKV-TZMCWYRMSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2CCO)cs1 ZINC000189958736 369583644 /nfs/dbraw/zinc/58/36/44/369583644.db2.gz FQYAHBPBEPPGIB-QWRGUYRKSA-N 1 0 270.354 2.297 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189972455 369585044 /nfs/dbraw/zinc/58/50/44/369585044.db2.gz STTZAENGJWMWBF-DGCLKSJQSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1c(C[N@@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190038202 369590931 /nfs/dbraw/zinc/59/09/31/369590931.db2.gz NNFUTOLJMWQALT-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191725767 369737672 /nfs/dbraw/zinc/73/76/72/369737672.db2.gz WWOQMWKZRDHUNR-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCCO ZINC000276596542 193394541 /nfs/dbraw/zinc/39/45/41/193394541.db2.gz DTBCZGQHEDLCIV-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352691091 369839296 /nfs/dbraw/zinc/83/92/96/369839296.db2.gz IPWSUKBNBANOKO-JTQLQIEISA-N 1 0 270.304 2.325 20 5 CEBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352767882 369875545 /nfs/dbraw/zinc/87/55/45/369875545.db2.gz DAMJBCMGRPSWRN-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000193207445 369904706 /nfs/dbraw/zinc/90/47/06/369904706.db2.gz OTMFPZWPJWDRKO-UHFFFAOYSA-N 1 0 293.367 2.267 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000352874897 369925865 /nfs/dbraw/zinc/92/58/65/369925865.db2.gz WXZIBIDKGJPVAW-NSHDSACASA-N 1 0 258.343 2.153 20 5 CEBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000218990120 370216609 /nfs/dbraw/zinc/21/66/09/370216609.db2.gz SGRNQNKKFAUGBQ-LBPRGKRZSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000354433225 370360635 /nfs/dbraw/zinc/36/06/35/370360635.db2.gz APLUNQYFHIHEFK-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355344731 370554410 /nfs/dbraw/zinc/55/44/10/370554410.db2.gz DWFLEJAUYVXDLN-NXEZZACHSA-N 1 0 252.318 2.091 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355340770 370554634 /nfs/dbraw/zinc/55/46/34/370554634.db2.gz WXWZAWMXLDTUGU-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235449684 370566232 /nfs/dbraw/zinc/56/62/32/370566232.db2.gz RXOLZJATEXGYCW-SSDOTTSWSA-N 1 0 259.256 2.235 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(O)CC2)cc1 ZINC000236467373 370589729 /nfs/dbraw/zinc/58/97/29/370589729.db2.gz WQFCSVWPLZQAQG-UHFFFAOYSA-N 1 0 264.325 2.030 20 5 CEBDRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236713745 370613807 /nfs/dbraw/zinc/61/38/07/370613807.db2.gz LQATXMNYXFDFBE-LBPRGKRZSA-N 1 0 299.758 2.190 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303204 371003565 /nfs/dbraw/zinc/00/35/65/371003565.db2.gz AVDANHJGBWNWBP-ABAIWWIYSA-N 1 0 289.379 2.476 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000248979775 371277277 /nfs/dbraw/zinc/27/72/77/371277277.db2.gz FKJVMJWMQYBGGM-VWYCJHECSA-N 1 0 279.340 2.064 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000359040114 371314075 /nfs/dbraw/zinc/31/40/75/371314075.db2.gz HSZAGSACPMOLAI-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000359040890 371314129 /nfs/dbraw/zinc/31/41/29/371314129.db2.gz IOKNYQSIRWXLHQ-OAHLLOKOSA-N 1 0 277.368 2.211 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000359054175 371320804 /nfs/dbraw/zinc/32/08/04/371320804.db2.gz IQOOJGKAPUAMFR-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251645923 371410116 /nfs/dbraw/zinc/41/01/16/371410116.db2.gz HIOFTXZJUYPNJA-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO COc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252894524 371488630 /nfs/dbraw/zinc/48/86/30/371488630.db2.gz VWNLPHAPNLNJAQ-DGCLKSJQSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000252892091 371489110 /nfs/dbraw/zinc/48/91/10/371489110.db2.gz MWVNKGJQDDBWAQ-BXUZGUMPSA-N 1 0 263.341 2.025 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544735 371454559 /nfs/dbraw/zinc/45/45/59/371454559.db2.gz INULGBFYWMMHOB-NWDGAFQWSA-N 1 0 295.314 2.009 20 5 CEBDRO C[C@H](CC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000336818202 213694652 /nfs/dbraw/zinc/69/46/52/213694652.db2.gz UNRRATCPMOCYPR-ZCFIWIBFSA-N 1 0 278.234 2.158 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]([NH+](CC)CC)C1 ZINC000360984792 371581842 /nfs/dbraw/zinc/58/18/42/371581842.db2.gz LUUCLPAFWZNHQJ-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261712655 371708803 /nfs/dbraw/zinc/70/88/03/371708803.db2.gz JNTHPABOQKNFSC-OSAQELSMSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1c(-c2nc(C3([NH3+])CCC3)no2)cccc1[N+](=O)[O-] ZINC000261761257 371724322 /nfs/dbraw/zinc/72/43/22/371724322.db2.gz MKNUBXUXQSTBNU-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO [NH3+]C1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261857308 371753590 /nfs/dbraw/zinc/75/35/90/371753590.db2.gz UCAPJXHXONOSLV-QPJJXVBHSA-N 1 0 286.291 2.486 20 5 CEBDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337325410 214007901 /nfs/dbraw/zinc/00/79/01/214007901.db2.gz BVPUPCDUNUPIKZ-NSHDSACASA-N 1 0 252.314 2.498 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262160728 371832418 /nfs/dbraw/zinc/83/24/18/371832418.db2.gz URAZYYLNYWZBGL-DRCTWCGVSA-N 1 0 293.367 2.454 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237401900 189874822 /nfs/dbraw/zinc/87/48/22/189874822.db2.gz KTMZWVDHIKNLLG-ABAIWWIYSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362364550 372333065 /nfs/dbraw/zinc/33/30/65/372333065.db2.gz IOISQKKAIHBRLU-ZYHUDNBSSA-N 1 0 277.324 2.039 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000269653557 372520725 /nfs/dbraw/zinc/52/07/25/372520725.db2.gz MVQRFLHNCLWTBH-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270688337 372902778 /nfs/dbraw/zinc/90/27/78/372902778.db2.gz WWHWBTSIBCTDNL-UONOGXRCSA-N 1 0 295.408 2.072 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC1 ZINC000344809593 217318329 /nfs/dbraw/zinc/31/83/29/217318329.db2.gz JTTFBGGBTIKYLL-JLHYYAGUSA-N 1 0 275.352 2.293 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272135638 373323064 /nfs/dbraw/zinc/32/30/64/373323064.db2.gz AJVSGGRPPITJBT-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(F)F ZINC000344991286 217379795 /nfs/dbraw/zinc/37/97/95/217379795.db2.gz XVENICPSSAQNBC-LHXVZLOVSA-N 1 0 286.278 2.214 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000274123069 373817987 /nfs/dbraw/zinc/81/79/87/373817987.db2.gz VJHYJSNHQDVKFL-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000371731972 373962176 /nfs/dbraw/zinc/96/21/76/373962176.db2.gz GKAURXYWJDYRTO-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC000373931047 374449709 /nfs/dbraw/zinc/44/97/09/374449709.db2.gz AIHPJPQAJVDSDA-UWVGGRQHSA-N 1 0 295.364 2.013 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389311 374560702 /nfs/dbraw/zinc/56/07/02/374560702.db2.gz FRKLGEQGELRKND-UONOGXRCSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](C2CC2)CC1 ZINC000277621292 374582336 /nfs/dbraw/zinc/58/23/36/374582336.db2.gz CCVHBLIVLWIXMX-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375044158 374640775 /nfs/dbraw/zinc/64/07/75/374640775.db2.gz XYKVZYYKXBRJAL-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375044157 374640964 /nfs/dbraw/zinc/64/09/64/374640964.db2.gz XYKVZYYKXBRJAL-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377233395 374818197 /nfs/dbraw/zinc/81/81/97/374818197.db2.gz SBJLYZMMRATWKG-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)c1 ZINC000280375287 375187686 /nfs/dbraw/zinc/18/76/86/375187686.db2.gz YXGWCTYBVPVMCV-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000386813535 375267933 /nfs/dbraw/zinc/26/79/33/375267933.db2.gz SEIFNRXGDVBYEQ-QPUJVOFHSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000280841472 375339894 /nfs/dbraw/zinc/33/98/94/375339894.db2.gz KQQLBVRGQRMYHR-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414329206 375832781 /nfs/dbraw/zinc/83/27/81/375832781.db2.gz AUBFBXFZBMDARV-VXGBXAGGSA-N 1 0 293.367 2.467 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000286286607 375898340 /nfs/dbraw/zinc/89/83/40/375898340.db2.gz WFQZXEUNUVNSKE-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000286299280 375904182 /nfs/dbraw/zinc/90/41/82/375904182.db2.gz CJJZIFHTIAYQBE-RHMLRGBNSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000414661304 375906337 /nfs/dbraw/zinc/90/63/37/375906337.db2.gz PMFHIPIOSXYKCF-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000414660463 375906750 /nfs/dbraw/zinc/90/67/50/375906750.db2.gz ODPZFTHJNRPPDX-NSHDSACASA-N 1 0 280.328 2.008 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261539172 190040561 /nfs/dbraw/zinc/04/05/61/190040561.db2.gz XAQNRGZWDPLPON-GFCCVEGCSA-N 1 0 251.286 2.051 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714339 375936678 /nfs/dbraw/zinc/93/66/78/375936678.db2.gz VIXPZMDPVOPFJH-MNOVXSKESA-N 1 0 292.339 2.152 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262818936 190063517 /nfs/dbraw/zinc/06/35/17/190063517.db2.gz GOMPRTMCYCJCCL-MFKMUULPSA-N 1 0 291.351 2.028 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000263758629 190077222 /nfs/dbraw/zinc/07/72/22/190077222.db2.gz QWVKLXFVWQSYBG-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000263790202 190079042 /nfs/dbraw/zinc/07/90/42/190079042.db2.gz NGSRPFGZTSHXSJ-CYBMUJFWSA-N 1 0 296.367 2.312 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289753844 376483168 /nfs/dbraw/zinc/48/31/68/376483168.db2.gz HSWKWPWSCCZPOM-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000312028755 376699816 /nfs/dbraw/zinc/69/98/16/376699816.db2.gz WZUVXOWLOVFSTD-LBPRGKRZSA-N 1 0 265.357 2.413 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000314140161 376764360 /nfs/dbraw/zinc/76/43/60/376764360.db2.gz JMAZBWNFAKCPHO-NWDGAFQWSA-N 1 0 293.371 2.158 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000314108498 376764604 /nfs/dbraw/zinc/76/46/04/376764604.db2.gz HWINMWMTPDWGGU-PRDAAYKISA-N 1 0 291.351 2.242 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264615649 190122927 /nfs/dbraw/zinc/12/29/27/190122927.db2.gz ANRDGBSIEDHECH-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244076 377164532 /nfs/dbraw/zinc/16/45/32/377164532.db2.gz XIRSMSSAKOAIAV-GXTWGEPZSA-N 1 0 263.341 2.388 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256138 377176713 /nfs/dbraw/zinc/17/67/13/377176713.db2.gz BHVJBDUGEIQBOO-NEPJUHHUSA-N 1 0 295.383 2.500 20 5 CEBDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270459 377188803 /nfs/dbraw/zinc/18/88/03/377188803.db2.gz WTZROEROJMLDLQ-GXFFZTMASA-N 1 0 251.330 2.229 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264856319 190139500 /nfs/dbraw/zinc/13/95/00/190139500.db2.gz CWHHKKNUDCFOAV-MDZDMXLPSA-N 1 0 291.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000264998612 190150812 /nfs/dbraw/zinc/15/08/12/190150812.db2.gz OLIIKZPMWFYYKJ-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265157667 190161927 /nfs/dbraw/zinc/16/19/27/190161927.db2.gz DARDXOSRDMLDPM-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293490113 377590696 /nfs/dbraw/zinc/59/06/96/377590696.db2.gz SSMAHMFVRQZDRU-MNOVXSKESA-N 1 0 250.298 2.314 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(O)C1 ZINC000332438790 377603022 /nfs/dbraw/zinc/60/30/22/377603022.db2.gz JHTIWTKOBUINCM-WHXUTIOJSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293518665 377605682 /nfs/dbraw/zinc/60/56/82/377605682.db2.gz VVWUTTBQBDOPBX-MNOVXSKESA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217947 377610241 /nfs/dbraw/zinc/61/02/41/377610241.db2.gz NKVGNKCQFKKSND-GWCFXTLKSA-N 1 0 264.325 2.190 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313303878 249391768 /nfs/dbraw/zinc/39/17/68/249391768.db2.gz DNTBPNHHLISDGT-XURPKSDJSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1cc(C(=O)NC(C)(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000293651607 377678704 /nfs/dbraw/zinc/67/87/04/377678704.db2.gz KRMYADWRZNIPRW-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000293666357 377686866 /nfs/dbraw/zinc/68/68/66/377686866.db2.gz GBODHJWUMWETDV-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295086363 378040306 /nfs/dbraw/zinc/04/03/06/378040306.db2.gz RAUGVKPBBLQIEF-GHMZBOCLSA-N 1 0 274.267 2.089 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000295226595 378059154 /nfs/dbraw/zinc/05/91/54/378059154.db2.gz NIGVRIWHAJAOPX-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO CO[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000442997986 378026218 /nfs/dbraw/zinc/02/62/18/378026218.db2.gz HTTKEIWHAXDWHC-JPVGGKMYSA-N 1 0 250.298 2.233 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527353 378112544 /nfs/dbraw/zinc/11/25/44/378112544.db2.gz GKHLFMWDHOXEFL-AVGNSLFASA-N 1 0 296.371 2.026 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295739023 378284831 /nfs/dbraw/zinc/28/48/31/378284831.db2.gz ORXNUHHJCSQNNT-JQWIXIFHSA-N 1 0 266.366 2.478 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449767033 378229281 /nfs/dbraw/zinc/22/92/81/378229281.db2.gz POFWUYFMIAUKIZ-ZWNOBZJWSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777403 378230752 /nfs/dbraw/zinc/23/07/52/378230752.db2.gz QIXMGEJRCWRXPD-AAEUAGOBSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000298665533 378793547 /nfs/dbraw/zinc/79/35/47/378793547.db2.gz KMQHXPFMWSIEED-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO COc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000266280208 190245769 /nfs/dbraw/zinc/24/57/69/190245769.db2.gz TXGKLONHBXJPSX-CYBMUJFWSA-N 1 0 289.335 2.054 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000453601678 378918037 /nfs/dbraw/zinc/91/80/37/378918037.db2.gz VEDGQOWHYPZOCO-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289471932 197363822 /nfs/dbraw/zinc/36/38/22/197363822.db2.gz IAJCJVUVMOSKLU-HNNXBMFYSA-N 1 0 294.351 2.114 20 5 CEBDRO Cc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347109228 218124840 /nfs/dbraw/zinc/12/48/40/218124840.db2.gz MTXNVSSIAGEIKG-XHDPSFHLSA-N 1 0 277.368 2.462 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347271781 218175040 /nfs/dbraw/zinc/17/50/40/218175040.db2.gz SEVQPFVELVFMTJ-AAEUAGOBSA-N 1 0 292.335 2.287 20 5 CEBDRO Cc1c(NC(=O)N2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000516855159 379315691 /nfs/dbraw/zinc/31/56/91/379315691.db2.gz XZIAKRIGNXKZIH-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@H](C[S@@](C)=O)[N@H+](C)[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428324 379468961 /nfs/dbraw/zinc/46/89/61/379468961.db2.gz QPSNBPVBEWHYGX-REWMRKHYSA-N 1 0 296.392 2.281 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000303214948 379488947 /nfs/dbraw/zinc/48/89/47/379488947.db2.gz BLQNOGJYZMXWJX-DGCLKSJQSA-N 1 0 282.340 2.065 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000289444070 197351012 /nfs/dbraw/zinc/35/10/12/197351012.db2.gz AXBSYRTZPXBKCZ-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000267092341 190302821 /nfs/dbraw/zinc/30/28/21/190302821.db2.gz UVDHXKYTHAYUSD-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCCC2)cs1 ZINC000267393874 190326700 /nfs/dbraw/zinc/32/67/00/190326700.db2.gz DOUJAYGDCZDEQY-UHFFFAOYSA-N 1 0 270.354 2.393 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000347789093 218358416 /nfs/dbraw/zinc/35/84/16/218358416.db2.gz SHJCAOIXOOMFJK-LBPRGKRZSA-N 1 0 280.324 2.118 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489415890 380187886 /nfs/dbraw/zinc/18/78/86/380187886.db2.gz RTWFWDPBRSOPOP-SMDDNHRTSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334042237 380219347 /nfs/dbraw/zinc/21/93/47/380219347.db2.gz IRMCKWFMHFNQDY-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754396 380556713 /nfs/dbraw/zinc/55/67/13/380556713.db2.gz DUFXZKAFDIPMLD-PHIMTYICSA-N 1 0 277.324 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000279186902 194324007 /nfs/dbraw/zinc/32/40/07/194324007.db2.gz DLYKCIRNCSCFGP-SWLSCSKDSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)cc1 ZINC000414528840 285115755 /nfs/dbraw/zinc/11/57/55/285115755.db2.gz BKSZLESDHWQVCG-NWDGAFQWSA-N 1 0 286.278 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)cc1 ZINC000115103419 285125633 /nfs/dbraw/zinc/12/56/33/285125633.db2.gz JMJIATLKPIAKJH-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCCCF)CC1 ZINC000297298982 285165975 /nfs/dbraw/zinc/16/59/75/285165975.db2.gz AHEPMLJINJROBK-UHFFFAOYSA-N 1 0 296.346 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCCC[NH2+]3)c2c1 ZINC000081590394 177827065 /nfs/dbraw/zinc/82/70/65/177827065.db2.gz MWYPOEOHYJCRPT-SNVBAGLBSA-N 1 0 287.323 2.092 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587594 195653996 /nfs/dbraw/zinc/65/39/96/195653996.db2.gz WPSUMMITLSZMIH-BXKDBHETSA-N 1 0 268.288 2.249 20 5 CEBDRO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967755 394458197 /nfs/dbraw/zinc/45/81/97/394458197.db2.gz AJLRILOBLUHJKC-VXGBXAGGSA-N 1 0 291.351 2.032 20 5 CEBDRO Cc1nn(C[C@@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413005816 394459257 /nfs/dbraw/zinc/45/92/57/394459257.db2.gz XARKBARXELWPIL-LBPRGKRZSA-N 1 0 266.345 2.363 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413021944 394464261 /nfs/dbraw/zinc/46/42/61/394464261.db2.gz BZKUMRKVFSUABL-NSHDSACASA-N 1 0 294.286 2.437 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000224415415 394465977 /nfs/dbraw/zinc/46/59/77/394465977.db2.gz PLOIGOSTATULGS-LLVKDONJSA-N 1 0 252.339 2.438 20 5 CEBDRO Cc1cc(N2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301990540 394469546 /nfs/dbraw/zinc/46/95/46/394469546.db2.gz FPAHSFSBUDYZJN-UHFFFAOYSA-N 1 0 286.335 2.203 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000413052584 394474899 /nfs/dbraw/zinc/47/48/99/394474899.db2.gz MMWAICDHBDPBAN-ZETCQYMHSA-N 1 0 292.261 2.371 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413090458 394480804 /nfs/dbraw/zinc/48/08/04/394480804.db2.gz IXKUBGNSMBVWPP-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413086426 394481074 /nfs/dbraw/zinc/48/10/74/394481074.db2.gz RQDODBLNTMECRK-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000421704778 394569511 /nfs/dbraw/zinc/56/95/11/394569511.db2.gz PUEWYXLCHZMSEV-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000355764086 394524235 /nfs/dbraw/zinc/52/42/35/394524235.db2.gz GGLNFFJXUYIVCJ-AAEUAGOBSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000421774243 394589702 /nfs/dbraw/zinc/58/97/02/394589702.db2.gz SRLWGGJCWMNRJX-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000049238235 394543792 /nfs/dbraw/zinc/54/37/92/394543792.db2.gz SSIBPVDGHXUCTO-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000315446850 394545366 /nfs/dbraw/zinc/54/53/66/394545366.db2.gz XVDKAKRZSTVILZ-SNVBAGLBSA-N 1 0 297.330 2.192 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356174354 394553996 /nfs/dbraw/zinc/55/39/96/394553996.db2.gz SZYGJSCIYNXCJV-JTQLQIEISA-N 1 0 296.346 2.460 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051554726 394555833 /nfs/dbraw/zinc/55/58/33/394555833.db2.gz ZEHFWOZCZDHNTO-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331690192 394631814 /nfs/dbraw/zinc/63/18/14/394631814.db2.gz WWYUIADKKNCKJC-LLVKDONJSA-N 1 0 266.345 2.483 20 5 CEBDRO C[C@@H]1[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356999381 394676819 /nfs/dbraw/zinc/67/68/19/394676819.db2.gz KLLGECZYJXPSAJ-OLZOCXBDSA-N 1 0 277.368 2.162 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051837 394709588 /nfs/dbraw/zinc/70/95/88/394709588.db2.gz VXDQKSZQKKLZRK-RYUDHWBXSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000422560248 394710644 /nfs/dbraw/zinc/71/06/44/394710644.db2.gz WMCQGVIKQMLBSP-UHFFFAOYSA-N 1 0 280.328 2.152 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1 ZINC000414861066 394775819 /nfs/dbraw/zinc/77/58/19/394775819.db2.gz DUVNXTNRIUSSMT-OCCSQVGLSA-N 1 0 277.368 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414862240 394775851 /nfs/dbraw/zinc/77/58/51/394775851.db2.gz HAXCYHMGQNFMEI-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1 ZINC000414861061 394775989 /nfs/dbraw/zinc/77/59/89/394775989.db2.gz DUVNXTNRIUSSMT-GXTWGEPZSA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414891065 394791244 /nfs/dbraw/zinc/79/12/44/394791244.db2.gz WBBJKYGBLPKVFX-GFCCVEGCSA-N 1 0 263.341 2.170 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000361371752 394825024 /nfs/dbraw/zinc/82/50/24/394825024.db2.gz YXEZWOZUHYNMMS-GXFFZTMASA-N 1 0 250.298 2.377 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000361152112 394818001 /nfs/dbraw/zinc/81/80/01/394818001.db2.gz HZXDHLUXZXOPDG-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278560922 394831474 /nfs/dbraw/zinc/83/14/74/394831474.db2.gz WOUJFKRDCATYAE-JTQLQIEISA-N 1 0 289.339 2.366 20 5 CEBDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570072 394953740 /nfs/dbraw/zinc/95/37/40/394953740.db2.gz WUCXFEHCMKPWOE-DGCLKSJQSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415307799 394920019 /nfs/dbraw/zinc/92/00/19/394920019.db2.gz ZFFULSPSABEYES-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO CC1(C)C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc([N+](=O)[O-])ccc21 ZINC000423455744 394924732 /nfs/dbraw/zinc/92/47/32/394924732.db2.gz MSPFWGWVVUHQCG-MYZSUADSSA-N 1 0 287.363 2.125 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415433679 394931867 /nfs/dbraw/zinc/93/18/67/394931867.db2.gz MGLNYZCHFOOSQS-QWRGUYRKSA-N 1 0 292.339 2.295 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415438847 394932701 /nfs/dbraw/zinc/93/27/01/394932701.db2.gz QHXSTGMLDYYIKW-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415478203 394935935 /nfs/dbraw/zinc/93/59/35/394935935.db2.gz CSFXSXWTHZFVFU-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415486342 394936478 /nfs/dbraw/zinc/93/64/78/394936478.db2.gz RNWHPEIZKOVOJB-LBPRGKRZSA-N 1 0 292.339 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415572885 394944747 /nfs/dbraw/zinc/94/47/47/394944747.db2.gz BOEUPPUJTWZLDP-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415582975 394945718 /nfs/dbraw/zinc/94/57/18/394945718.db2.gz QDUXPRHGSPFJIO-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000285395460 394956824 /nfs/dbraw/zinc/95/68/24/394956824.db2.gz ASNJCPQUUSDUSI-GXFFZTMASA-N 1 0 266.366 2.478 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626996 394949215 /nfs/dbraw/zinc/94/92/15/394949215.db2.gz AJKPGACKWWQJGA-VIFPVBQESA-N 1 0 298.318 2.373 20 5 CEBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846723 395001083 /nfs/dbraw/zinc/00/10/83/395001083.db2.gz NXOSBMQCMDHBKZ-PRHODGIISA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423615411 394958473 /nfs/dbraw/zinc/95/84/73/394958473.db2.gz RAUKWBJQZAEYLA-WCQYABFASA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285859133 394974327 /nfs/dbraw/zinc/97/43/27/394974327.db2.gz ILQFZTHRRDOBSD-ONGXEEELSA-N 1 0 252.339 2.436 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151763981 394978696 /nfs/dbraw/zinc/97/86/96/394978696.db2.gz TWRGEZKGJIJXPV-UHFFFAOYSA-N 1 0 279.340 2.007 20 5 CEBDRO Cc1c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120744 395038431 /nfs/dbraw/zinc/03/84/31/395038431.db2.gz KYMAFDRWULCWTF-RISCZKNCSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@@H]1[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCC[N@@H+]1C ZINC000436360617 395111737 /nfs/dbraw/zinc/11/17/37/395111737.db2.gz NGWIGNOAKWAYSS-PWSUYJOCSA-N 1 0 290.367 2.457 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000417820620 395135605 /nfs/dbraw/zinc/13/56/05/395135605.db2.gz CSSVHTXEZAADAL-NSHDSACASA-N 1 0 294.355 2.002 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494699628 395136084 /nfs/dbraw/zinc/13/60/84/395136084.db2.gz QPLOKNUFQWAUHN-GXFFZTMASA-N 1 0 262.309 2.113 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000176202376 395137818 /nfs/dbraw/zinc/13/78/18/395137818.db2.gz UEGYVOPPXJBBCJ-AWEZNQCLSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000291636865 395146223 /nfs/dbraw/zinc/14/62/23/395146223.db2.gz AWOODHXVFPCDOV-VIFPVBQESA-N 1 0 255.293 2.344 20 5 CEBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000291803873 395164292 /nfs/dbraw/zinc/16/42/92/395164292.db2.gz XLDRXYJRIRDYPK-UHFFFAOYSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000378448573 395155945 /nfs/dbraw/zinc/15/59/45/395155945.db2.gz COYNUQAIUFTODX-BXUZGUMPSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000351936773 395240884 /nfs/dbraw/zinc/24/08/84/395240884.db2.gz QUCYQKWJYNASDW-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292376177 395194025 /nfs/dbraw/zinc/19/40/25/395194025.db2.gz SGKCEJKAHNDHKT-CQSZACIVSA-N 1 0 279.315 2.266 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188675082 395318646 /nfs/dbraw/zinc/31/86/46/395318646.db2.gz UZXMKNILVXDZAJ-KBPBESRZSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184532098 395273551 /nfs/dbraw/zinc/27/35/51/395273551.db2.gz LPFSGCBSEHRLPS-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000192128732 395373143 /nfs/dbraw/zinc/37/31/43/395373143.db2.gz HXWHBSGUUOPJIR-ZYHUDNBSSA-N 1 0 250.298 2.109 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1CC ZINC000192586586 395387174 /nfs/dbraw/zinc/38/71/74/395387174.db2.gz JDJWHXNMYPFZNF-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ncccc1O ZINC000355285552 395396434 /nfs/dbraw/zinc/39/64/34/395396434.db2.gz DQBPZCGMPOLEPR-ZZXKWVIFSA-N 1 0 285.303 2.498 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1=CCOCC1 ZINC000449400666 395546136 /nfs/dbraw/zinc/54/61/36/395546136.db2.gz CMXDNHNWOGLCEA-UHFFFAOYSA-N 1 0 262.309 2.340 20 5 CEBDRO CCC1(CC)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446739981 395497932 /nfs/dbraw/zinc/49/79/32/395497932.db2.gz ZJGIIHSELJAAPB-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250298 395598693 /nfs/dbraw/zinc/59/86/93/395598693.db2.gz DHGHIDZGTDNUAR-STQMWFEESA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000451378508 395612403 /nfs/dbraw/zinc/61/24/03/395612403.db2.gz ZZGNWNURXRSATK-SNVBAGLBSA-N 1 0 282.340 2.195 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449462196 395549920 /nfs/dbraw/zinc/54/99/20/395549920.db2.gz UUWSULDRTHGSSK-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO CC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450209755 395566770 /nfs/dbraw/zinc/56/67/70/395566770.db2.gz XWHSUCGHXPJREJ-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160618164 297439176 /nfs/dbraw/zinc/43/91/76/297439176.db2.gz WSGXMRZODOJMPO-JTQLQIEISA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414910377 296584261 /nfs/dbraw/zinc/58/42/61/296584261.db2.gz CNYGMAUHVXNFGE-FAQJLRJSSA-N 1 0 275.352 2.196 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cs1 ZINC000190340563 153126377 /nfs/dbraw/zinc/12/63/77/153126377.db2.gz CQVDRMCBSPPOBN-GMTAPVOTSA-N 1 0 268.338 2.313 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCOC1 ZINC000220689755 153308409 /nfs/dbraw/zinc/30/84/09/153308409.db2.gz BVPAITNEYWDJKW-NSHDSACASA-N 1 0 280.324 2.120 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000230163188 153385848 /nfs/dbraw/zinc/38/58/48/153385848.db2.gz OAVPQQXRXMYCLA-LBPRGKRZSA-N 1 0 250.298 2.111 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(O)CC1 ZINC000237095974 153461263 /nfs/dbraw/zinc/46/12/63/153461263.db2.gz RAUSRQWJGHEHKH-UHFFFAOYSA-N 1 0 294.351 2.387 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000266272827 286383006 /nfs/dbraw/zinc/38/30/06/286383006.db2.gz RJDHRWZEUZIXJJ-LBPRGKRZSA-N 1 0 289.335 2.054 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000070149074 292292347 /nfs/dbraw/zinc/29/23/47/292292347.db2.gz ZBXARYKHNVHDMJ-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305029941 154204558 /nfs/dbraw/zinc/20/45/58/154204558.db2.gz HLXCYKLJZVOGAX-MBNYWOFBSA-N 1 0 294.351 2.207 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3)CC2)n1 ZINC000357933940 154404210 /nfs/dbraw/zinc/40/42/10/154404210.db2.gz ZDLXGLHUBBHJHD-UHFFFAOYSA-N 1 0 290.298 2.209 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359778859 155128917 /nfs/dbraw/zinc/12/89/17/155128917.db2.gz RSMSDPRJTQRTBW-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000367666405 156222408 /nfs/dbraw/zinc/22/24/08/156222408.db2.gz VUGKLSOAGQCHKP-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000376199525 157197437 /nfs/dbraw/zinc/19/74/37/157197437.db2.gz VSPBZCMRDUWZFP-LYKUJDHUSA-N 1 0 298.346 2.478 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000376382552 157215299 /nfs/dbraw/zinc/21/52/99/157215299.db2.gz DWUJBHYLWSEUPU-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000377391002 162690593 /nfs/dbraw/zinc/69/05/93/162690593.db2.gz KZUZLVJIZBOWTM-GJZGRUSLSA-N 1 0 292.335 2.131 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963665 287058208 /nfs/dbraw/zinc/05/82/08/287058208.db2.gz REWPPHCKZACSLO-ZYHUDNBSSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000167060768 165035176 /nfs/dbraw/zinc/03/51/76/165035176.db2.gz CIKAZPHXJKXUMP-RKDXNWHRSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316413 287144742 /nfs/dbraw/zinc/14/47/42/287144742.db2.gz LZRCLESJESUAKJ-GXFFZTMASA-N 1 0 262.309 2.113 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146882 171033285 /nfs/dbraw/zinc/03/32/85/171033285.db2.gz IOOZJFGFZYYMJG-AWEZNQCLSA-N 1 0 294.351 2.270 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285553381 196324826 /nfs/dbraw/zinc/32/48/26/196324826.db2.gz QZYAYAOFIIYUPS-VXGBXAGGSA-N 1 0 264.325 2.357 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285662525 196359201 /nfs/dbraw/zinc/35/92/01/196359201.db2.gz ZCHZVSFDVBQDFU-DGCLKSJQSA-N 1 0 264.325 2.357 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038044392 174052129 /nfs/dbraw/zinc/05/21/29/174052129.db2.gz SOVQYFYKONFVGM-LBPRGKRZSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088237 174101319 /nfs/dbraw/zinc/10/13/19/174101319.db2.gz FYPCTTMXPZPWAJ-WDEREUQCSA-N 1 0 251.330 2.196 20 5 CEBDRO CC[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000038098228 174113578 /nfs/dbraw/zinc/11/35/78/174113578.db2.gz QIRZUWICXMZYNN-UHFFFAOYSA-N 1 0 269.370 2.230 20 5 CEBDRO CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046701715 175398366 /nfs/dbraw/zinc/39/83/66/175398366.db2.gz ZWPUWNUKNBVVIY-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277816 176107860 /nfs/dbraw/zinc/10/78/60/176107860.db2.gz VQIPJCUNTGVWRX-ZANVPECISA-N 1 0 250.298 2.016 20 5 CEBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000071331900 176125110 /nfs/dbraw/zinc/12/51/10/176125110.db2.gz PPEGUZHMGCTEKY-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000071950863 176303665 /nfs/dbraw/zinc/30/36/65/176303665.db2.gz ZPPWZQCENSZZMY-JTQLQIEISA-N 1 0 280.328 2.057 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077453548 177270145 /nfs/dbraw/zinc/27/01/45/177270145.db2.gz QVKYGVZMBJCMLT-LLVKDONJSA-N 1 0 272.732 2.499 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000078678999 177370587 /nfs/dbraw/zinc/37/05/87/177370587.db2.gz KSUKUFGIURLFOO-RMKNXTFCSA-N 1 0 291.351 2.064 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191149188 226531045 /nfs/dbraw/zinc/53/10/45/226531045.db2.gz NEMNBVFGQFLWBE-QMMMGPOBSA-N 1 0 290.266 2.321 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccccc1 ZINC000355933726 228055871 /nfs/dbraw/zinc/05/58/71/228055871.db2.gz ONJHYVSBPNRCFA-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)[S@@](C)=O ZINC000449226513 260299729 /nfs/dbraw/zinc/29/97/29/260299729.db2.gz XTHCSAQLIOQZIZ-XAAFQQQXSA-N 1 0 298.408 2.273 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069627 261147512 /nfs/dbraw/zinc/14/75/12/261147512.db2.gz HWMHWNURZJKGTP-SMDDNHRTSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230198 274228323 /nfs/dbraw/zinc/22/83/23/274228323.db2.gz ZXWGHRUZMHQZBQ-ZANVPECISA-N 1 0 264.325 2.288 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000519754956 265576656 /nfs/dbraw/zinc/57/66/56/265576656.db2.gz ZOROSICZKBWQPM-WFASDCNBSA-N 1 0 298.346 2.331 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000150258655 270236312 /nfs/dbraw/zinc/23/63/12/270236312.db2.gz GTMMQNYSQVAAPI-WTNCMQEWSA-N 1 0 291.351 2.242 20 5 CEBDRO CC(C)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000298330863 273533146 /nfs/dbraw/zinc/53/31/46/273533146.db2.gz YVXSIOZHIJZBTO-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO CCc1nn(C)c(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420633627 270546448 /nfs/dbraw/zinc/54/64/48/270546448.db2.gz YWVWERUJMRKDCM-UHFFFAOYSA-N 1 0 295.387 2.175 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424195054 271031272 /nfs/dbraw/zinc/03/12/72/271031272.db2.gz BZPJUXFATBXTSM-TZMCWYRMSA-N 1 0 264.325 2.331 20 5 CEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CC2 ZINC000424317802 271043925 /nfs/dbraw/zinc/04/39/25/271043925.db2.gz GYRVSZPNBJUKFL-MFKMUULPSA-N 1 0 289.335 2.454 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424336980 271048306 /nfs/dbraw/zinc/04/83/06/271048306.db2.gz ZNCPPJHJWBVFNV-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425361943 271159970 /nfs/dbraw/zinc/15/99/70/271159970.db2.gz YUJHDYUPCFHZDM-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000430194217 271361560 /nfs/dbraw/zinc/36/15/60/271361560.db2.gz IKGHUJIARHXBTR-NHYWBVRUSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000433074104 271518965 /nfs/dbraw/zinc/51/89/65/271518965.db2.gz UZVNODUWAMTCIV-YNEHKIRRSA-N 1 0 296.371 2.026 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000261596255 273500820 /nfs/dbraw/zinc/50/08/20/273500820.db2.gz GXTFEMPZEDWXMN-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413086424 273638241 /nfs/dbraw/zinc/63/82/41/273638241.db2.gz RQDODBLNTMECRK-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292445883 274118266 /nfs/dbraw/zinc/11/82/66/274118266.db2.gz YTGUSFYITLGGDB-OAHLLOKOSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000351509825 274363780 /nfs/dbraw/zinc/36/37/80/274363780.db2.gz MWRWZFZUTQGQGM-NXEZZACHSA-N 1 0 267.304 2.263 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000413069218 275041326 /nfs/dbraw/zinc/04/13/26/275041326.db2.gz YSHIIHCNCHPHOK-VHSXEESVSA-N 1 0 280.303 2.168 20 5 CEBDRO CC(C)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298710636 275562851 /nfs/dbraw/zinc/56/28/51/275562851.db2.gz KEIIDWVHOLLUCI-UHFFFAOYSA-N 1 0 278.356 2.158 20 5 CEBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295011370 276067878 /nfs/dbraw/zinc/06/78/78/276067878.db2.gz JLZALUGYPQUPID-AWEZNQCLSA-N 1 0 293.367 2.187 20 5 CEBDRO CC[N@@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301939379 276165349 /nfs/dbraw/zinc/16/53/49/276165349.db2.gz SVVBUWCXTWZHJT-UHFFFAOYSA-N 1 0 255.343 2.188 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415289771 276269879 /nfs/dbraw/zinc/26/98/79/276269879.db2.gz CAPMHYFNVCEPMM-SNVBAGLBSA-N 1 0 294.355 2.331 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000268169056 276802750 /nfs/dbraw/zinc/80/27/50/276802750.db2.gz KTODXIYWVVIZSF-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278911423 277600072 /nfs/dbraw/zinc/60/00/72/277600072.db2.gz ZJOXNVJXMSMLQY-UGFHNGPFSA-N 1 0 294.351 2.439 20 5 CEBDRO COc1cccc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000185484015 278016777 /nfs/dbraw/zinc/01/67/77/278016777.db2.gz XHQJUFNAVOMDGF-LBPRGKRZSA-N 1 0 289.335 2.054 20 5 CEBDRO COc1cccc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000372189096 278016790 /nfs/dbraw/zinc/01/67/90/278016790.db2.gz VSUXYUPOXCXAEQ-WCQYABFASA-N 1 0 291.351 2.134 20 5 CEBDRO CC(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000359460850 278036930 /nfs/dbraw/zinc/03/69/30/278036930.db2.gz XVKUDUFIVFCHQS-KBPBESRZSA-N 1 0 289.379 2.369 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000356979713 278079102 /nfs/dbraw/zinc/07/91/02/278079102.db2.gz FDVJLHYENYDHHK-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151917184 278234925 /nfs/dbraw/zinc/23/49/25/278234925.db2.gz GTTUUIKVFCHOKY-SMDDNHRTSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685729 278372613 /nfs/dbraw/zinc/37/26/13/278372613.db2.gz LKUHYIXTGKDSGQ-DGCLKSJQSA-N 1 0 275.352 2.482 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000247265605 288078971 /nfs/dbraw/zinc/07/89/71/288078971.db2.gz FHBCYDHFTUONLD-DGCLKSJQSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344323863 279125949 /nfs/dbraw/zinc/12/59/49/279125949.db2.gz JVYHUDQVGPBXKK-BXUZGUMPSA-N 1 0 263.341 2.167 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044528581 279638674 /nfs/dbraw/zinc/63/86/74/279638674.db2.gz PMAKGRYRIUDWKI-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO CCOc1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261598248 279972684 /nfs/dbraw/zinc/97/26/84/279972684.db2.gz AWBVJFJRMHAZOB-NEPJUHHUSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000262765895 280049389 /nfs/dbraw/zinc/04/93/89/280049389.db2.gz JEPYLBOKCINVPG-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063192850 280204848 /nfs/dbraw/zinc/20/48/48/280204848.db2.gz RQKSCAXESKQHCN-SMDDNHRTSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415485409 280400818 /nfs/dbraw/zinc/40/08/18/280400818.db2.gz QDQVYLJTDMSOIY-JTQLQIEISA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415480170 280401099 /nfs/dbraw/zinc/40/10/99/280401099.db2.gz GWOYQDSKULLRJO-SNVBAGLBSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000346691443 280659966 /nfs/dbraw/zinc/65/99/66/280659966.db2.gz VTADSICAQXJYSP-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C(C)C ZINC000151791147 281015672 /nfs/dbraw/zinc/01/56/72/281015672.db2.gz JMQZAJIHWHLPRW-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070176733 281016256 /nfs/dbraw/zinc/01/62/56/281016256.db2.gz UCGPQAWYNZFYGE-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721977 281082884 /nfs/dbraw/zinc/08/28/84/281082884.db2.gz JCBUBUBJGFKUKE-AWEZNQCLSA-N 1 0 291.351 2.213 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610531 281269223 /nfs/dbraw/zinc/26/92/23/281269223.db2.gz LBRZXHIVYFWDOX-SWLSCSKDSA-N 1 0 293.367 2.175 20 5 CEBDRO C[C@H](SCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446563195 281765285 /nfs/dbraw/zinc/76/52/85/281765285.db2.gz FMQKFCFZUKENAJ-JTQLQIEISA-N 1 0 297.380 2.217 20 5 CEBDRO C[NH+]1CCC2(CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000366837395 289901838 /nfs/dbraw/zinc/90/18/38/289901838.db2.gz SQEKUAQLLOXTQH-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380389 290131359 /nfs/dbraw/zinc/13/13/59/290131359.db2.gz BJCBDRBWRWMIRJ-TZMCWYRMSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000459614447 290195342 /nfs/dbraw/zinc/19/53/42/290195342.db2.gz OLBNGWCORMQPNO-AAEUAGOBSA-N 1 0 266.345 2.350 20 5 CEBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000459746946 290225344 /nfs/dbraw/zinc/22/53/44/290225344.db2.gz CIKLFTWMVMYGBK-DZGCQCFKSA-N 1 0 294.351 2.222 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000364308489 290234387 /nfs/dbraw/zinc/23/43/87/290234387.db2.gz OSZBRTMARFCWST-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351509828 297079011 /nfs/dbraw/zinc/07/90/11/297079011.db2.gz MWRWZFZUTQGQGM-ZJUUUORDSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000516492497 297595367 /nfs/dbraw/zinc/59/53/67/297595367.db2.gz LSNOGHHEFNRQEG-UHFFFAOYSA-N 1 0 274.324 2.267 20 5 CEBDRO Cn1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000521270250 297644484 /nfs/dbraw/zinc/64/44/84/297644484.db2.gz KIENQULXTMZGKA-AWEZNQCLSA-N 1 0 286.335 2.148 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000530963162 298090057 /nfs/dbraw/zinc/09/00/57/298090057.db2.gz VDSLPRZVURTVLI-ZDUSSCGKSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000531963020 298126781 /nfs/dbraw/zinc/12/67/81/298126781.db2.gz WAQOTZZCBUBBPS-VXGBXAGGSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000531963018 298127033 /nfs/dbraw/zinc/12/70/33/298127033.db2.gz WAQOTZZCBUBBPS-NWDGAFQWSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000538361414 298227490 /nfs/dbraw/zinc/22/74/90/298227490.db2.gz CKAOKDSQXRHJJV-CQSZACIVSA-N 1 0 298.346 2.340 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539071197 298244269 /nfs/dbraw/zinc/24/42/69/298244269.db2.gz GSEXPOFVVVAFKJ-SNVBAGLBSA-N 1 0 290.323 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3CC3)C2)nc1 ZINC000547832109 298380782 /nfs/dbraw/zinc/38/07/82/298380782.db2.gz BQMPXZFOVNYQDP-GFCCVEGCSA-N 1 0 276.340 2.276 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564970548 298865973 /nfs/dbraw/zinc/86/59/73/298865973.db2.gz GGIZIKKPAUEHJH-VHSXEESVSA-N 1 0 280.328 2.151 20 5 CEBDRO CC[NH2+]CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515634231 313074840 /nfs/dbraw/zinc/07/48/40/313074840.db2.gz SWBXONBXHGIJEN-LLVKDONJSA-N 1 0 251.330 2.245 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000515754504 313076956 /nfs/dbraw/zinc/07/69/56/313076956.db2.gz ZAUPJMVUBJNDKO-VXGBXAGGSA-N 1 0 291.351 2.080 20 5 CEBDRO [NH3+]C1(c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000566068120 313847057 /nfs/dbraw/zinc/84/70/57/313847057.db2.gz TVYGXUPCFBSOGN-WAYWQWQTSA-N 1 0 286.291 2.486 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570454708 314042070 /nfs/dbraw/zinc/04/20/70/314042070.db2.gz PKAFTNWASWZKHL-GHMZBOCLSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCOC2)n1 ZINC000576096339 314240259 /nfs/dbraw/zinc/24/02/59/314240259.db2.gz CSJLLQNGZRYWJD-UPJWGTAASA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1cc(OCC[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000388470059 321886286 /nfs/dbraw/zinc/88/62/86/321886286.db2.gz PONSWENJSYGUGK-SNVBAGLBSA-N 1 0 268.288 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000584035512 326903364 /nfs/dbraw/zinc/90/33/64/326903364.db2.gz FERZELKUHGHCGC-GRYCIOLGSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1c(C[N@@H+]2CCCO[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411851785 533843592 /nfs/dbraw/zinc/84/35/92/533843592.db2.gz HDMKOJFWDBETSQ-CYBMUJFWSA-N 1 0 282.315 2.464 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000414710085 533914579 /nfs/dbraw/zinc/91/45/79/533914579.db2.gz RJJUORCAAUPAJX-NSHDSACASA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415433683 533971936 /nfs/dbraw/zinc/97/19/36/533971936.db2.gz MGLNYZCHFOOSQS-WDEREUQCSA-N 1 0 292.339 2.295 20 5 CEBDRO CC(=O)c1ccc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000061644757 518347794 /nfs/dbraw/zinc/34/77/94/518347794.db2.gz BEIGJNPSDKTOKQ-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO CC(C)(C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000052926117 518722672 /nfs/dbraw/zinc/72/26/72/518722672.db2.gz WFKUSHDLYNPQRA-UHFFFAOYSA-N 1 0 250.302 2.007 20 5 CEBDRO CC(C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365858271 519653665 /nfs/dbraw/zinc/65/36/65/519653665.db2.gz MYSIHCGRPUCEOL-UHFFFAOYSA-N 1 0 266.345 2.474 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000155948348 519829238 /nfs/dbraw/zinc/82/92/38/519829238.db2.gz RNYWHCJQSDQOSQ-ZDUSSCGKSA-N 1 0 280.328 2.090 20 5 CEBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069093142 521512754 /nfs/dbraw/zinc/51/27/54/521512754.db2.gz JPBXUYZVOQUAKE-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000068449914 522049626 /nfs/dbraw/zinc/04/96/26/522049626.db2.gz OQZSOLKLGPLVDO-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])no1 ZINC000062726519 524755992 /nfs/dbraw/zinc/75/59/92/524755992.db2.gz PMUKNLWMUDYHHC-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000157247027 524909471 /nfs/dbraw/zinc/90/94/71/524909471.db2.gz GVGRYTWUNIZQAP-CHWSQXEVSA-N 1 0 291.351 2.178 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000062726276 527399356 /nfs/dbraw/zinc/39/93/56/527399356.db2.gz AIEACYGQGSBXFN-MRXNPFEDSA-N 1 0 286.331 2.461 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000051895573 527400060 /nfs/dbraw/zinc/40/00/60/527400060.db2.gz OCVNZAOHFFTDTE-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC12CCCC2 ZINC000365124517 527487949 /nfs/dbraw/zinc/48/79/49/527487949.db2.gz XWDUQMFHLXOGBD-UHFFFAOYSA-N 1 0 264.329 2.237 20 5 CEBDRO CCOc1cc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111047426 528328939 /nfs/dbraw/zinc/32/89/39/528328939.db2.gz TXFPCCWTNGBPRZ-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742147392 574829808 /nfs/dbraw/zinc/82/98/08/574829808.db2.gz GOAOTEATHDMIBU-NSHDSACASA-N 1 0 287.323 2.153 20 5 CEBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000742241090 575013360 /nfs/dbraw/zinc/01/33/60/575013360.db2.gz NGRVBOLDFSNCEM-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742425879 575021315 /nfs/dbraw/zinc/02/13/15/575021315.db2.gz PINZYKCXJBMOQG-SNVBAGLBSA-N 1 0 294.311 2.399 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047935 575147339 /nfs/dbraw/zinc/14/73/39/575147339.db2.gz UHUFRZDVGDFWCP-BXKDBHETSA-N 1 0 250.298 2.016 20 5 CEBDRO [NH3+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964294 623276403 /nfs/dbraw/zinc/27/64/03/623276403.db2.gz UXOPAXVZPHNLHA-SNVBAGLBSA-N 1 0 269.732 2.171 20 5 CEBDRO CC(C)(C)OCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000308510264 623831463 /nfs/dbraw/zinc/83/14/63/623831463.db2.gz DJGRYYGMONZTDD-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891983395 624227246 /nfs/dbraw/zinc/22/72/46/624227246.db2.gz VGMFBJAJXPDUAA-UHFFFAOYSA-N 1 0 294.355 2.142 20 5 CEBDRO CC(C)C[NH+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000071872201 624293406 /nfs/dbraw/zinc/29/34/06/624293406.db2.gz MSQKZXIXOXJHJV-UHFFFAOYSA-N 1 0 254.334 2.363 20 5 CEBDRO CC1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158292659 624512240 /nfs/dbraw/zinc/51/22/40/624512240.db2.gz NUZBHIYDJNDYRI-OCTTZUBCSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000219099157 624939925 /nfs/dbraw/zinc/93/99/25/624939925.db2.gz SGDYXSYRWNAFGR-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000820651361 634489600 /nfs/dbraw/zinc/48/96/00/634489600.db2.gz FYBLQJHLIJYUBO-GFCCVEGCSA-N 1 0 293.367 2.442 20 5 CEBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892665311 627367509 /nfs/dbraw/zinc/36/75/09/627367509.db2.gz LFCFCYSLVZRYOS-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO [NH3+]CCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697367 628194272 /nfs/dbraw/zinc/19/42/72/628194272.db2.gz SXHFLOLUUPFYMG-UHFFFAOYSA-N 1 0 276.296 2.316 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931298001 628506273 /nfs/dbraw/zinc/50/62/73/628506273.db2.gz TYABXGVTVTZMDK-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000236808072 628818654 /nfs/dbraw/zinc/81/86/54/628818654.db2.gz OLDJJLAJYDLWTK-UHFFFAOYSA-N 1 0 297.330 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000893941107 629055561 /nfs/dbraw/zinc/05/55/61/629055561.db2.gz QRQSEHZZWOEZFL-BXUZGUMPSA-N 1 0 261.325 2.044 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000261709053 629142542 /nfs/dbraw/zinc/14/25/42/629142542.db2.gz BUIAMPHNVHCEJZ-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928430738 629588170 /nfs/dbraw/zinc/58/81/70/629588170.db2.gz ITYGFTZWIIJFKB-WCQYABFASA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894714980 629601423 /nfs/dbraw/zinc/60/14/23/629601423.db2.gz MTAYQCWEBLRSDH-KOLCDFICSA-N 1 0 280.324 2.445 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000894904652 629745628 /nfs/dbraw/zinc/74/56/28/629745628.db2.gz UZBQTLOKBATIRI-PSASIEDQSA-N 1 0 298.364 2.293 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000895032506 629806188 /nfs/dbraw/zinc/80/61/88/629806188.db2.gz TWGVIJWDZXTSDM-JGPRNRPPSA-N 1 0 278.308 2.197 20 5 CEBDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000895457961 630199827 /nfs/dbraw/zinc/19/98/27/630199827.db2.gz KEGQLTLZKAKTCX-UHFFFAOYSA-N 1 0 286.335 2.479 20 5 CEBDRO CC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735955 630325881 /nfs/dbraw/zinc/32/58/81/630325881.db2.gz JBMIOACSASAZOV-NOZJJQNGSA-N 1 0 277.324 2.302 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000895737665 630327889 /nfs/dbraw/zinc/32/78/89/630327889.db2.gz QVFFMEPHXOWBMT-ZJUUUORDSA-N 1 0 265.313 2.108 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000895771485 630339998 /nfs/dbraw/zinc/33/99/98/630339998.db2.gz LWCFGLROFPPAAI-SECBINFHSA-N 1 0 278.337 2.321 20 5 CEBDRO CCO[C@@H](CNc1cc(C)sc1[N+](=O)[O-])C[NH+](C)C ZINC000896114276 630467867 /nfs/dbraw/zinc/46/78/67/630467867.db2.gz XNURPQCDDYANFH-JTQLQIEISA-N 1 0 287.385 2.343 20 5 CEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799370904 631021200 /nfs/dbraw/zinc/02/12/00/631021200.db2.gz ALSVEIKDTPPEBR-KKUMJFAQSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800848574 631148839 /nfs/dbraw/zinc/14/88/39/631148839.db2.gz REGQKEHFWAQLTJ-LLVKDONJSA-N 1 0 278.356 2.319 20 5 CEBDRO CCC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800846053 631149048 /nfs/dbraw/zinc/14/90/48/631149048.db2.gz ALOHSHRWHIUTPB-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801550812 631287504 /nfs/dbraw/zinc/28/75/04/631287504.db2.gz JWYLMBUXUPBBNU-AWEZNQCLSA-N 1 0 298.314 2.019 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000897469256 631535812 /nfs/dbraw/zinc/53/58/12/631535812.db2.gz GYHJOPLKKMEZCZ-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010573 631683426 /nfs/dbraw/zinc/68/34/26/631683426.db2.gz GFDPJHXTERCJHG-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO Cc1ccccc1CCN(C)Cn1nccc1[N+](=O)[O-] ZINC000840101107 631851549 /nfs/dbraw/zinc/85/15/49/631851549.db2.gz FXKXCOLJGIYLEF-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000927150308 632617080 /nfs/dbraw/zinc/61/70/80/632617080.db2.gz LIAZBZXKCKIDQB-CQDKDKBSSA-N 1 0 290.363 2.276 20 5 CEBDRO CC(C)C(=O)O[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813171596 632643313 /nfs/dbraw/zinc/64/33/13/632643313.db2.gz MPTPGKNUSOZHGJ-AWEZNQCLSA-N 1 0 292.335 2.368 20 5 CEBDRO CC[C@@H]1CN(C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000814937551 632936587 /nfs/dbraw/zinc/93/65/87/632936587.db2.gz KVZLKILWXVXTFU-SECBINFHSA-N 1 0 285.294 2.403 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615530 633038609 /nfs/dbraw/zinc/03/86/09/633038609.db2.gz RDQHCNMDSCKHJX-WDEREUQCSA-N 1 0 279.340 2.254 20 5 CEBDRO CCC([NH3+])(CC)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959385 633800715 /nfs/dbraw/zinc/80/07/15/633800715.db2.gz CQAQCNBBVZBGRY-JTQLQIEISA-N 1 0 280.372 2.345 20 5 CEBDRO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818954142 634015057 /nfs/dbraw/zinc/01/50/57/634015057.db2.gz SQBLLQLHAQUGCN-IAQYHMDHSA-N 1 0 290.319 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1 ZINC000228559552 634083664 /nfs/dbraw/zinc/08/36/64/634083664.db2.gz AVCHOUUOYQFNFO-UHFFFAOYSA-N 1 0 274.280 2.112 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202486 634102876 /nfs/dbraw/zinc/10/28/76/634102876.db2.gz AZDQGWQVFWWHMQ-JMSVASOKSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819249770 634116564 /nfs/dbraw/zinc/11/65/64/634116564.db2.gz LZTGWALVXFQLAD-JHJVBQTASA-N 1 0 294.351 2.113 20 5 CEBDRO CCOC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819249612 634116745 /nfs/dbraw/zinc/11/67/45/634116745.db2.gz LTVYEKSMFPDDTD-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H](C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819341483 634146409 /nfs/dbraw/zinc/14/64/09/634146409.db2.gz QOCNDSQOEKLKMA-CQDKDKBSSA-N 1 0 296.367 2.279 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000819369800 634159883 /nfs/dbraw/zinc/15/98/83/634159883.db2.gz NSWBOMBQKABWQZ-MCIONIFRSA-N 1 0 282.315 2.499 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056246 634948396 /nfs/dbraw/zinc/94/83/96/634948396.db2.gz SGFAHUXJCBHGGA-GXSJLCMTSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903098564 634967677 /nfs/dbraw/zinc/96/76/77/634967677.db2.gz QLTWDYVRVCJHGI-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(CO)CCC2)cc([N+](=O)[O-])c1 ZINC000903146856 634989908 /nfs/dbraw/zinc/98/99/08/634989908.db2.gz BOMPRZGEPRJATP-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903221111 635022458 /nfs/dbraw/zinc/02/24/58/635022458.db2.gz YKNQCLSDRUEDCY-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245419 635026017 /nfs/dbraw/zinc/02/60/17/635026017.db2.gz LYPRPNUBQSQHAE-MNOVXSKESA-N 1 0 289.339 2.178 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C2CC(CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000903261747 635035141 /nfs/dbraw/zinc/03/51/41/635035141.db2.gz XFDMPEGGAGYYNH-UNXYVOJBSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903436127 635117058 /nfs/dbraw/zinc/11/70/58/635117058.db2.gz HBLMGYZCCSXQCT-DUFXMDAXSA-N 1 0 291.351 2.253 20 5 CEBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH3+] ZINC000903987328 635406083 /nfs/dbraw/zinc/40/60/83/635406083.db2.gz ZRWGIERVBJTYIB-LBPRGKRZSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000904277963 635549130 /nfs/dbraw/zinc/54/91/30/635549130.db2.gz QQLCSNONKZGLEX-LBPRGKRZSA-N 1 0 292.339 2.023 20 5 CEBDRO C[C@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCC[NH2+]1 ZINC000904514586 635655908 /nfs/dbraw/zinc/65/59/08/635655908.db2.gz CVJAIGMJVXTCGF-CQSZACIVSA-N 1 0 288.307 2.167 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCC[N+](=O)[O-])C1 ZINC000905046204 635786478 /nfs/dbraw/zinc/78/64/78/635786478.db2.gz ORASBRAMDIKSJT-CQSZACIVSA-N 1 0 291.395 2.285 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000905054651 635790906 /nfs/dbraw/zinc/79/09/06/635790906.db2.gz KGXKDCBDFDGQGC-UHFFFAOYSA-N 1 0 287.319 2.027 20 5 CEBDRO C[N@H+](Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905058177 635805914 /nfs/dbraw/zinc/80/59/14/635805914.db2.gz JHOSGGRHCMSRAX-UHFFFAOYSA-N 1 0 289.339 2.406 20 5 CEBDRO Cc1ccc(SC[C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000905217033 636164725 /nfs/dbraw/zinc/16/47/25/636164725.db2.gz CCPNRTBSIDYJRT-NSHDSACASA-N 1 0 254.355 2.342 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000905245176 636170099 /nfs/dbraw/zinc/17/00/99/636170099.db2.gz VEXSGDWXIZSCAA-UMSPYCQHSA-N 1 0 254.717 2.452 20 5 CEBDRO O=C(CC[NH2+]C[C@@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000905408768 636260845 /nfs/dbraw/zinc/26/08/45/636260845.db2.gz DPALJSYQDQVRSF-GFCCVEGCSA-N 1 0 289.335 2.479 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000830172712 636999017 /nfs/dbraw/zinc/99/90/17/636999017.db2.gz HBTGOHVTVZUAIC-GWCFXTLKSA-N 1 0 290.319 2.341 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149433200 637086817 /nfs/dbraw/zinc/08/68/17/637086817.db2.gz UTPMHSAJFJZKRM-IUCAKERBSA-N 1 0 284.747 2.207 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000876545073 650316063 /nfs/dbraw/zinc/31/60/63/650316063.db2.gz HFUSIJKZZPJSTG-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO Cc1c(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000876550352 650321206 /nfs/dbraw/zinc/32/12/06/650321206.db2.gz ZZAKXUANVBKBKB-KRZKBDHCSA-N 1 0 289.335 2.398 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616348 637621313 /nfs/dbraw/zinc/62/13/13/637621313.db2.gz WXZFDNYKULLRFH-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616349 637621527 /nfs/dbraw/zinc/62/15/27/637621527.db2.gz WXZFDNYKULLRFH-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914567 637987065 /nfs/dbraw/zinc/98/70/65/637987065.db2.gz ICVHNEBYVPFEOS-SCVCMEIPSA-N 1 0 279.340 2.395 20 5 CEBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000044558703 639342008 /nfs/dbraw/zinc/34/20/08/639342008.db2.gz BWKRZOOIYNBMDT-UHFFFAOYSA-N 1 0 260.297 2.386 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102885614 639357607 /nfs/dbraw/zinc/35/76/07/639357607.db2.gz KQWCXVPZYKFGJK-NSHDSACASA-N 1 0 250.302 2.013 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156592816 639362699 /nfs/dbraw/zinc/36/26/99/639362699.db2.gz BMGAZGZSKYZOGL-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO COc1cc(-c2nc([C@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000164977492 639408960 /nfs/dbraw/zinc/40/89/60/639408960.db2.gz NWRGJXFANPTDHN-LLVKDONJSA-N 1 0 292.295 2.309 20 5 CEBDRO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000165029614 639411718 /nfs/dbraw/zinc/41/17/18/639411718.db2.gz NGFOYKRWGXWXBC-STQMWFEESA-N 1 0 296.371 2.274 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1O ZINC000166146148 639450176 /nfs/dbraw/zinc/45/01/76/639450176.db2.gz HBVLAOOXWWHBMZ-ZANVPECISA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC1(C[NH3+])CC1 ZINC000876947315 650500751 /nfs/dbraw/zinc/50/07/51/650500751.db2.gz CXPJOZABZIKXJO-UHFFFAOYSA-N 1 0 291.351 2.070 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011343 639617637 /nfs/dbraw/zinc/61/76/37/639617637.db2.gz NVNQSIDCUWYWEY-XVKPBYJWSA-N 1 0 298.730 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH2+]CC2)c1 ZINC000841027135 639620365 /nfs/dbraw/zinc/62/03/65/639620365.db2.gz XHXORDAUXQQMIA-UHFFFAOYSA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062261 639637933 /nfs/dbraw/zinc/63/79/33/639637933.db2.gz VBXXYMNTUQVEGO-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1[N+](=O)[O-] ZINC000228559707 639644549 /nfs/dbraw/zinc/64/45/49/639644549.db2.gz HJYDTZBTHCZQFE-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[NH2+]C1 ZINC000841103212 639680700 /nfs/dbraw/zinc/68/07/00/639680700.db2.gz NDRDOBOGOJKUEJ-SECBINFHSA-N 1 0 298.730 2.122 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[NH2+]C1 ZINC000841233215 639713995 /nfs/dbraw/zinc/71/39/95/639713995.db2.gz ONWRIYCMRMGSNI-QMMMGPOBSA-N 1 0 298.730 2.122 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261837157 640158579 /nfs/dbraw/zinc/15/85/79/640158579.db2.gz WEFDAVLWQFAMFH-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C(C)(C)C[NH3+])n1 ZINC000843187998 640339935 /nfs/dbraw/zinc/33/99/35/640339935.db2.gz WLXKECGOXRAMKM-UHFFFAOYSA-N 1 0 276.296 2.190 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000843480110 640439247 /nfs/dbraw/zinc/43/92/47/640439247.db2.gz UVDLKXAKLZYGSB-JTQLQIEISA-N 1 0 297.330 2.290 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000877127259 650584979 /nfs/dbraw/zinc/58/49/79/650584979.db2.gz CIANAXNWLJFYHW-LLVKDONJSA-N 1 0 295.314 2.077 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+](C)C ZINC000843754890 640520467 /nfs/dbraw/zinc/52/04/67/640520467.db2.gz TXFMFWOIZMETOO-UHFFFAOYSA-N 1 0 297.330 2.112 20 5 CEBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000877127260 650585350 /nfs/dbraw/zinc/58/53/50/650585350.db2.gz CIANAXNWLJFYHW-NSHDSACASA-N 1 0 295.314 2.077 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C(C)C ZINC000843799284 640529156 /nfs/dbraw/zinc/52/91/56/640529156.db2.gz VGSUXIPSSICIMN-UHFFFAOYSA-N 1 0 297.330 2.112 20 5 CEBDRO Cc1ccc(-c2noc(CC(F)(F)C[NH3+])n2)cc1[N+](=O)[O-] ZINC000844911407 640863953 /nfs/dbraw/zinc/86/39/53/640863953.db2.gz CYKJNOPGDWJQRB-UHFFFAOYSA-N 1 0 298.249 2.090 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071300335 641739883 /nfs/dbraw/zinc/73/98/83/641739883.db2.gz XWIPBOCIXXKABW-QMTHXVAHSA-N 1 0 264.325 2.325 20 5 CEBDRO COCCC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877350407 650685630 /nfs/dbraw/zinc/68/56/30/650685630.db2.gz UBDZKJLVIMFYSD-UHFFFAOYSA-N 1 0 296.371 2.147 20 5 CEBDRO Cn1c(Cl)ncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000848533347 642038621 /nfs/dbraw/zinc/03/86/21/642038621.db2.gz JWXJQSULWXXKSZ-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CC1(C)OCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000848545760 642045805 /nfs/dbraw/zinc/04/58/05/642045805.db2.gz JMYNACWBLGISGD-ZDUSSCGKSA-N 1 0 292.335 2.323 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000877462992 650730853 /nfs/dbraw/zinc/73/08/53/650730853.db2.gz XYKNFHUEJXDILL-SWLSCSKDSA-N 1 0 276.336 2.026 20 5 CEBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NCC1CCC1 ZINC000849001533 642220379 /nfs/dbraw/zinc/22/03/79/642220379.db2.gz WFKQEAIPXJUMRS-UHFFFAOYSA-N 1 0 276.340 2.051 20 5 CEBDRO CCN(CC)C(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021922 642235643 /nfs/dbraw/zinc/23/56/43/642235643.db2.gz KUAUVRXELARMTO-UHFFFAOYSA-N 1 0 264.329 2.269 20 5 CEBDRO CC[C@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021957 642235759 /nfs/dbraw/zinc/23/57/59/642235759.db2.gz NREHKKWYPROSQK-VIFPVBQESA-N 1 0 264.329 2.316 20 5 CEBDRO CCOC1CC(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)C1 ZINC000877522990 650765096 /nfs/dbraw/zinc/76/50/96/650765096.db2.gz TVTFHODTEJSNLO-UHFFFAOYSA-N 1 0 293.367 2.175 20 5 CEBDRO CC1(C)CC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890082652 642629327 /nfs/dbraw/zinc/62/93/27/642629327.db2.gz YFCKQKKVGHARCJ-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850551971 642751748 /nfs/dbraw/zinc/75/17/48/642751748.db2.gz ZOIONBCZYJSXQL-NSHDSACASA-N 1 0 295.339 2.252 20 5 CEBDRO CCc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)co1 ZINC000877570633 650794362 /nfs/dbraw/zinc/79/43/62/650794362.db2.gz LFJSGKBSTMCAAY-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO CCC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922821371 643283659 /nfs/dbraw/zinc/28/36/59/643283659.db2.gz AUOIHADLRLRAGR-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO CC(C)([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000852078444 643290312 /nfs/dbraw/zinc/29/03/12/643290312.db2.gz PYZKJDIUYMCOSS-JTQLQIEISA-N 1 0 278.308 2.125 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000852213566 643355077 /nfs/dbraw/zinc/35/50/77/643355077.db2.gz MIUNZJWZRJHGKS-AOOOYVTPSA-N 1 0 272.226 2.431 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000229587091 643385659 /nfs/dbraw/zinc/38/56/59/643385659.db2.gz GLTWMQSUXOPPHR-UFBFGSQYSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534737 643461396 /nfs/dbraw/zinc/46/13/96/643461396.db2.gz OUZQUGDUBKTASE-BXUZGUMPSA-N 1 0 280.299 2.202 20 5 CEBDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852761560 643541682 /nfs/dbraw/zinc/54/16/82/643541682.db2.gz XDNYUVLVCLMYQA-GHMZBOCLSA-N 1 0 287.722 2.119 20 5 CEBDRO Cc1c(NC(=O)C=C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000852801602 643557222 /nfs/dbraw/zinc/55/72/22/643557222.db2.gz RBDZOZPGXQAFTD-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853125219 643667902 /nfs/dbraw/zinc/66/79/02/643667902.db2.gz NYLOYHVDBIHLTB-OCCSQVGLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000853231877 643717181 /nfs/dbraw/zinc/71/71/81/643717181.db2.gz NUCSBBGPZYUPRQ-NSHDSACASA-N 1 0 289.335 2.446 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923454859 643722667 /nfs/dbraw/zinc/72/26/67/643722667.db2.gz XWPIPPAMRAKBOW-GXFFZTMASA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@]1(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853305904 643734641 /nfs/dbraw/zinc/73/46/41/643734641.db2.gz GKQLAUDKVDQWEA-GFCCVEGCSA-N 1 0 298.730 2.122 20 5 CEBDRO O=[N+]([O-])c1cc(OCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000853740348 643883813 /nfs/dbraw/zinc/88/38/13/643883813.db2.gz VRAXXKZMDKNKQX-UHFFFAOYSA-N 1 0 295.295 2.368 20 5 CEBDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100871 644325127 /nfs/dbraw/zinc/32/51/27/644325127.db2.gz JJYIPGJNGIPVGB-STQMWFEESA-N 1 0 275.352 2.373 20 5 CEBDRO CC[N@H+](CCC1CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000760538039 645168722 /nfs/dbraw/zinc/16/87/22/645168722.db2.gz JFANOQOKAFLALC-UHFFFAOYSA-N 1 0 252.318 2.179 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858578818 645208537 /nfs/dbraw/zinc/20/85/37/645208537.db2.gz MITXJCNHLIGHQS-GWCFXTLKSA-N 1 0 295.339 2.044 20 5 CEBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000761532873 645294172 /nfs/dbraw/zinc/29/41/72/645294172.db2.gz OXVMMSAEIJGZPU-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000763023890 645490892 /nfs/dbraw/zinc/49/08/92/645490892.db2.gz HEFTXZZFKDEEFB-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CCCF)CC1 ZINC000860010390 645673936 /nfs/dbraw/zinc/67/39/36/645673936.db2.gz WCWFGPCOMGLRBP-UHFFFAOYSA-N 1 0 299.321 2.211 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765333882 645757875 /nfs/dbraw/zinc/75/78/75/645757875.db2.gz MIWUSMGAZOFNMN-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C(C)C)C2)n1 ZINC000765480106 645774747 /nfs/dbraw/zinc/77/47/47/645774747.db2.gz FAVCOOASCPBDHY-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC000765770676 645807441 /nfs/dbraw/zinc/80/74/41/645807441.db2.gz PAEVXQADUTZUKO-JSGCOSHPSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849914 645816418 /nfs/dbraw/zinc/81/64/18/645816418.db2.gz UVXKLHGAJZADMM-LALPHHSUSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[NH+](CC)Cc1ccc(C(=O)OCCC[N+](=O)[O-])cc1 ZINC000860918313 645947082 /nfs/dbraw/zinc/94/70/82/645947082.db2.gz GWFRQWOYXHRCSH-UHFFFAOYSA-N 1 0 294.351 2.352 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000771915660 646569309 /nfs/dbraw/zinc/56/93/09/646569309.db2.gz HEHIBRPIWBVFDG-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1nccn1CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000771971887 646578455 /nfs/dbraw/zinc/57/84/55/646578455.db2.gz GGTHIAOYHPZIFD-UHFFFAOYSA-N 1 0 289.291 2.265 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000863565322 646757750 /nfs/dbraw/zinc/75/77/50/646757750.db2.gz GUQIBKAAKGTOLG-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO C[N@H+](CCOC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586354 647076151 /nfs/dbraw/zinc/07/61/51/647076151.db2.gz NBIJDOVEOPWTMD-AWEZNQCLSA-N 1 0 296.367 2.375 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000778093232 647199290 /nfs/dbraw/zinc/19/92/90/647199290.db2.gz VGHDBBVWPNMMFO-CQSZACIVSA-N 1 0 294.282 2.324 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000866205904 647669674 /nfs/dbraw/zinc/66/96/74/647669674.db2.gz ODISDUUHUQYTOF-RNCFNFMXSA-N 1 0 297.305 2.403 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866206283 647669788 /nfs/dbraw/zinc/66/97/88/647669788.db2.gz RIWSEGVLCICTDL-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267794 647706421 /nfs/dbraw/zinc/70/64/21/647706421.db2.gz SUDIIGIYBCORJM-VHSXEESVSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CC1 ZINC000866299361 647722291 /nfs/dbraw/zinc/72/22/91/647722291.db2.gz JECYGHYGJLIBFR-QMTHXVAHSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000866308734 647729214 /nfs/dbraw/zinc/72/92/14/647729214.db2.gz FVVXLLIHGZRGNO-BXKDBHETSA-N 1 0 268.288 2.043 20 5 CEBDRO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783598545 647735637 /nfs/dbraw/zinc/73/56/37/647735637.db2.gz HVAQYHOFSVUARM-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000783918113 647777561 /nfs/dbraw/zinc/77/75/61/647777561.db2.gz OOUMEZHVKKAIOZ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@]1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000785493339 647931960 /nfs/dbraw/zinc/93/19/60/647931960.db2.gz RHMCPTGDBYQGNW-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@]1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000785493338 647932168 /nfs/dbraw/zinc/93/21/68/647932168.db2.gz RHMCPTGDBYQGNW-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@H](C)[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942748 647996055 /nfs/dbraw/zinc/99/60/55/647996055.db2.gz VXTJPPRPXVGEET-RWSFTLGLSA-N 1 0 293.367 2.320 20 5 CEBDRO CC(C)(F)CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867983740 648010183 /nfs/dbraw/zinc/01/01/83/648010183.db2.gz DOOGTCKOCVCJNB-CQSZACIVSA-N 1 0 297.330 2.023 20 5 CEBDRO CC[S@](=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000786811444 648046585 /nfs/dbraw/zinc/04/65/85/648046585.db2.gz DBDYHBVRBRVNRP-DBBZSVRUSA-N 1 0 296.392 2.356 20 5 CEBDRO C[N@H+](CCCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000788270464 648168107 /nfs/dbraw/zinc/16/81/07/648168107.db2.gz XMPWHZCULLCLJT-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO CCC[N@H+](CC[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000791053679 648476531 /nfs/dbraw/zinc/47/65/31/648476531.db2.gz VUZMKRJIKBIEOT-NWDGAFQWSA-N 1 0 258.362 2.179 20 5 CEBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791054854 648477110 /nfs/dbraw/zinc/47/71/10/648477110.db2.gz ZYKMUYUERGJXAY-CQSZACIVSA-N 1 0 264.325 2.499 20 5 CEBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870555584 648836352 /nfs/dbraw/zinc/83/63/52/648836352.db2.gz YAXXVDPPZFTBPJ-JTQLQIEISA-N 1 0 266.297 2.092 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872037191 649249132 /nfs/dbraw/zinc/24/91/32/649249132.db2.gz BVCQEMSFUOWGRD-DTWKUNHWSA-N 1 0 256.277 2.155 20 5 CEBDRO COCC(C)(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872242620 649326493 /nfs/dbraw/zinc/32/64/93/649326493.db2.gz DSPYKYCPZAWOAJ-CQSZACIVSA-N 1 0 296.367 2.281 20 5 CEBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2F)CCCCC1 ZINC000872630161 649445461 /nfs/dbraw/zinc/44/54/61/649445461.db2.gz XEEHUICJRMRPCG-UHFFFAOYSA-N 1 0 282.319 2.463 20 5 CEBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051766 649543797 /nfs/dbraw/zinc/54/37/97/649543797.db2.gz OMWRDUHWGQCHAX-QMTHXVAHSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074108 649551351 /nfs/dbraw/zinc/55/13/51/649551351.db2.gz IXLMOJSQKQIMRC-RISCZKNCSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)CO ZINC000873089616 649556566 /nfs/dbraw/zinc/55/65/66/649556566.db2.gz FZOJQHQLVAVELI-UHFFFAOYSA-N 1 0 266.341 2.320 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC1 ZINC000873096526 649558164 /nfs/dbraw/zinc/55/81/64/649558164.db2.gz QIGUXKAVIWHYLA-UHFFFAOYSA-N 1 0 263.341 2.007 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000873132253 649565820 /nfs/dbraw/zinc/56/58/20/649565820.db2.gz MMJNSRGIFLZVNR-GFCCVEGCSA-N 1 0 299.321 2.332 20 5 CEBDRO COC[C@@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873133852 649566231 /nfs/dbraw/zinc/56/62/31/649566231.db2.gz HZRXNZAGCYXSFB-CYBMUJFWSA-N 1 0 296.367 2.353 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000873146828 649569536 /nfs/dbraw/zinc/56/95/36/649569536.db2.gz PRIOWKCRFXOSIG-TXEJJXNPSA-N 1 0 264.325 2.072 20 5 CEBDRO Cc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873230351 649602219 /nfs/dbraw/zinc/60/22/19/649602219.db2.gz QAHWTHZKTJSHHE-LSDHHAIUSA-N 1 0 275.352 2.277 20 5 CEBDRO COCC1([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000880185830 651397289 /nfs/dbraw/zinc/39/72/89/651397289.db2.gz DXPVQKWBFVLLJM-CQSZACIVSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880237233 651406543 /nfs/dbraw/zinc/40/65/43/651406543.db2.gz UACPEASFLOVVFJ-FZMZJTMJSA-N 1 0 282.315 2.310 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881863936 651902654 /nfs/dbraw/zinc/90/26/54/651902654.db2.gz JDCIBUQLHBBSKB-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000129593111 652035474 /nfs/dbraw/zinc/03/54/74/652035474.db2.gz QOYDNFKTNHMORV-NSHDSACASA-N 1 0 252.318 2.259 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCC2)CC1 ZINC000882964889 652294585 /nfs/dbraw/zinc/29/45/85/652294585.db2.gz QQMKGWOGXCTCNM-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000883272149 652420345 /nfs/dbraw/zinc/42/03/45/652420345.db2.gz DWSAEAMTELEITD-NHCYSSNCSA-N 1 0 279.340 2.253 20 5 CEBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000800084538 652645304 /nfs/dbraw/zinc/64/53/04/652645304.db2.gz LZIYMEWRKADNPV-UHFFFAOYSA-N 1 0 282.296 2.221 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000800196155 652682520 /nfs/dbraw/zinc/68/25/20/652682520.db2.gz VRJGVIUSVICOSA-UHFFFAOYSA-N 1 0 295.339 2.066 20 5 CEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000884068870 652693689 /nfs/dbraw/zinc/69/36/89/652693689.db2.gz IHLWZXQDEXPVJX-CYBMUJFWSA-N 1 0 293.367 2.221 20 5 CEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000884070805 652694563 /nfs/dbraw/zinc/69/45/63/652694563.db2.gz YLAOHLOTKMPMBE-ZDUSSCGKSA-N 1 0 293.367 2.221 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1C ZINC000884301866 652787415 /nfs/dbraw/zinc/78/74/15/652787415.db2.gz FICMVCXMMXAQPO-RYUDHWBXSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CC=CCC2)cc1 ZINC000134757768 652873135 /nfs/dbraw/zinc/87/31/35/652873135.db2.gz LLAAHJCTHJVTEL-JSGCOSHPSA-N 1 0 262.309 2.327 20 5 CEBDRO CCC1([NH+]2CCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000884717502 652969977 /nfs/dbraw/zinc/96/99/77/652969977.db2.gz CMXBWIAKAQDAHK-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[NH+](C)CC1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165043350 721943417 /nfs/dbraw/zinc/94/34/17/721943417.db2.gz ZJTDKPIJHTXQST-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO CCOC(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000159534773 806818656 /nfs/dbraw/zinc/81/86/56/806818656.db2.gz FCFGZJCTBIBLGD-UHFFFAOYSA-N 1 0 282.340 2.474 20 5 CEBDRO CCOC(=O)C(F)(F)[C@H](CC)OCCC[N+](C)(C)C ZINC001224624162 806871033 /nfs/dbraw/zinc/87/10/33/806871033.db2.gz UXKKZKFKEJUMOW-NSHDSACASA-N 1 0 282.351 2.076 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160433711 806871149 /nfs/dbraw/zinc/87/11/49/806871149.db2.gz WPUQFNXYJJJVJQ-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCC(=O)N(C)C1 ZINC001167247040 802603643 /nfs/dbraw/zinc/60/36/43/802603643.db2.gz VCNPVFPMCAVIMB-HNNXBMFYSA-N 1 0 290.431 2.316 20 5 CEBDRO [NH3+]Cc1cccn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167586702 803164418 /nfs/dbraw/zinc/16/44/18/803164418.db2.gz SZFXLJJFAJDPJF-UHFFFAOYSA-N 1 0 295.302 2.301 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217978515 803523027 /nfs/dbraw/zinc/52/30/27/803523027.db2.gz BGQAQPVJWPTXFW-WCQYABFASA-N 1 0 268.288 2.372 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC001218283939 803576352 /nfs/dbraw/zinc/57/63/52/803576352.db2.gz MHZXGFDRMZMQTG-JTQLQIEISA-N 1 0 256.689 2.379 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001118558362 815025100 /nfs/dbraw/zinc/02/51/00/815025100.db2.gz OUSLWAHJSMQCQM-AWEZNQCLSA-N 1 0 280.299 2.081 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225960084 805391750 /nfs/dbraw/zinc/39/17/50/805391750.db2.gz OWBJXNKZCUKUNU-QMMMGPOBSA-N 1 0 272.251 2.346 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1ncnc2cc3ccccc3cc21 ZINC001168410917 807190744 /nfs/dbraw/zinc/19/07/44/807190744.db2.gz RAVJFJMDWSSMAD-UHFFFAOYSA-N 1 0 288.314 2.253 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000699477222 807725000 /nfs/dbraw/zinc/72/50/00/807725000.db2.gz DZWRPXWWYNWAFT-PWSUYJOCSA-N 1 0 250.298 2.109 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716858967 815147727 /nfs/dbraw/zinc/14/77/27/815147727.db2.gz ASJUSFNQEWPMIA-WCBMZHEXSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001124056097 808074534 /nfs/dbraw/zinc/07/45/34/808074534.db2.gz FISPVERTHOWXTR-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070196378 808188131 /nfs/dbraw/zinc/18/81/31/808188131.db2.gz POXAFAJNTCSKKW-CQSZACIVSA-N 1 0 283.331 2.485 20 5 CEBDRO CSC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120496171 815229511 /nfs/dbraw/zinc/22/95/11/815229511.db2.gz XJKIVGDTQPIOLU-LBPRGKRZSA-N 1 0 284.381 2.359 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702066173 809491878 /nfs/dbraw/zinc/49/18/78/809491878.db2.gz PNBRTASAUDUYJS-GHMZBOCLSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065062 809491894 /nfs/dbraw/zinc/49/18/94/809491894.db2.gz VGAQZXOXKXCDCC-WCBMZHEXSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702636982 809572462 /nfs/dbraw/zinc/57/24/62/809572462.db2.gz WIFCXYSCRBFQBU-GZMMTYOYSA-N 1 0 269.732 2.170 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(N[C@H](C)C[NH+](C)C)c1F ZINC001163782603 810194018 /nfs/dbraw/zinc/19/40/18/810194018.db2.gz MHACFYIWKROWJC-SECBINFHSA-N 1 0 255.293 2.404 20 5 CEBDRO O=[N+]([O-])c1cnc(Cl)cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155402366 811054046 /nfs/dbraw/zinc/05/40/46/811054046.db2.gz LQYKLDZSHKTFNZ-CMPLNLGQSA-N 1 0 282.731 2.340 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1cnc(Cl)cc1[N+](=O)[O-] ZINC001168829867 811260346 /nfs/dbraw/zinc/26/03/46/811260346.db2.gz BSUQYRGXWWXZEJ-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3[C@@H]2O)C1 ZINC001168976769 811304598 /nfs/dbraw/zinc/30/45/98/811304598.db2.gz GHTGLAOXNMJHPN-XTBFLFJDSA-N 1 0 290.363 2.070 20 5 CEBDRO [NH3+]Cc1cccc2c1cnn2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976763 811305873 /nfs/dbraw/zinc/30/58/73/811305873.db2.gz GHGHSZUIYRRDCL-JQWIXIFHSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)C1 ZINC001168977477 811306297 /nfs/dbraw/zinc/30/62/97/811306297.db2.gz KCOPCQPTNMUIGO-VTMBPIDISA-N 1 0 294.395 2.105 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC001168979558 811307853 /nfs/dbraw/zinc/30/78/53/811307853.db2.gz ZFDAJWGSJFKWIF-NQBHXWOUSA-N 1 0 262.309 2.155 20 5 CEBDRO Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168979215 811308232 /nfs/dbraw/zinc/30/82/32/811308232.db2.gz XEVXIOQUHMGDDV-QWRGUYRKSA-N 1 0 269.370 2.295 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168958064 811312751 /nfs/dbraw/zinc/31/27/51/811312751.db2.gz LLZFMKHPROOCNA-QWHCGFSZSA-N 1 0 264.325 2.230 20 5 CEBDRO COc1ccccc1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959564 811313967 /nfs/dbraw/zinc/31/39/67/811313967.db2.gz WTWIBKXLLPJROH-GXTWGEPZSA-N 1 0 278.352 2.273 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966058 811317092 /nfs/dbraw/zinc/31/70/92/811317092.db2.gz GAODEFUOSKNYPV-GUBZILKMSA-N 1 0 255.343 2.239 20 5 CEBDRO COC(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965877 811317252 /nfs/dbraw/zinc/31/72/52/811317252.db2.gz DDVAAYSIQDANRE-DGCLKSJQSA-N 1 0 292.335 2.008 20 5 CEBDRO [NH3+]Cc1c(F)cccc1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967553 811318141 /nfs/dbraw/zinc/31/81/41/811318141.db2.gz QRJBNVZGDNSBKC-NXEZZACHSA-N 1 0 267.304 2.142 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967106 811318375 /nfs/dbraw/zinc/31/83/75/811318375.db2.gz NHKLIEVMGHAYLF-STQMWFEESA-N 1 0 264.325 2.230 20 5 CEBDRO [NH3+]Cc1c(F)cccc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967556 811319363 /nfs/dbraw/zinc/31/93/63/811319363.db2.gz QRJBNVZGDNSBKC-ZJUUUORDSA-N 1 0 267.304 2.142 20 5 CEBDRO [NH3+]Cc1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975481 811323962 /nfs/dbraw/zinc/32/39/62/811323962.db2.gz VXQRGIPSCKQQMO-GHMZBOCLSA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1ccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001168992020 811325073 /nfs/dbraw/zinc/32/50/73/811325073.db2.gz JADCGBDIWYUHRC-KBPBESRZSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCCC3)C2)C1 ZINC001168997235 811326345 /nfs/dbraw/zinc/32/63/45/811326345.db2.gz YFAIAIMFVXPPGG-OAGGEKHMSA-N 1 0 295.427 2.286 20 5 CEBDRO CC(C)(Cc1ccccn1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998211 811326826 /nfs/dbraw/zinc/32/68/26/811326826.db2.gz JUHMSPKKJLKTJX-CHWSQXEVSA-N 1 0 277.368 2.438 20 5 CEBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002235 811328378 /nfs/dbraw/zinc/32/83/78/811328378.db2.gz JQALFUHUYIURNS-RFQIPJPRSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169002019 811328517 /nfs/dbraw/zinc/32/85/17/811328517.db2.gz JEZNOZYYRAZIRL-NWANDNLSSA-N 1 0 278.352 2.063 20 5 CEBDRO O=C1c2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004112 811329822 /nfs/dbraw/zinc/32/98/22/811329822.db2.gz PXCCZEVKIKDGCN-LNSITVRQSA-N 1 0 288.347 2.219 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C1 ZINC001169005838 811331003 /nfs/dbraw/zinc/33/10/03/811331003.db2.gz UZFJVVOSJTUKEZ-BPNCWPANSA-N 1 0 298.770 2.408 20 5 CEBDRO Cc1ncsc1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004149 811331190 /nfs/dbraw/zinc/33/11/90/811331190.db2.gz QCSKUBIDHVTVHB-WDEREUQCSA-N 1 0 269.370 2.029 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(OC3CCC3)CC2)C1 ZINC001169011801 811333685 /nfs/dbraw/zinc/33/36/85/811333685.db2.gz MKCJZDPADUPMMB-QWHCGFSZSA-N 1 0 282.384 2.465 20 5 CEBDRO C[N@H+](Cc1cccc(O)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011797 811334595 /nfs/dbraw/zinc/33/45/95/811334595.db2.gz MJGZQMAXLMADHQ-QWHCGFSZSA-N 1 0 264.325 2.269 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(O)cc3C2)C1 ZINC001168986887 811336166 /nfs/dbraw/zinc/33/61/66/811336166.db2.gz FWOCLKLPPJEXBA-UGFHNGPFSA-N 1 0 290.363 2.285 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncc(Cl)c2)C1 ZINC001168987893 811337246 /nfs/dbraw/zinc/33/72/46/811337246.db2.gz LDLLSUWDZBDSKK-SKDRFNHKSA-N 1 0 269.732 2.270 20 5 CEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988062 811337554 /nfs/dbraw/zinc/33/75/54/811337554.db2.gz NCMPMNPOHUPYFQ-BNOWGMLFSA-N 1 0 278.352 2.358 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001169036071 811346862 /nfs/dbraw/zinc/34/68/62/811346862.db2.gz MWUYGHNRYYTFNT-OLZOCXBDSA-N 1 0 268.357 2.077 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001169038941 811347913 /nfs/dbraw/zinc/34/79/13/811347913.db2.gz LRXQGVVFTDPAFL-ZIAGYGMSSA-N 1 0 282.384 2.324 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169233444 811447657 /nfs/dbraw/zinc/44/76/57/811447657.db2.gz QMKZIMJPWQJPQJ-VIFPVBQESA-N 1 0 276.296 2.199 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001169716156 811640191 /nfs/dbraw/zinc/64/01/91/811640191.db2.gz FMOFNGHJCMOZNG-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CC(C)CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123225388 815489554 /nfs/dbraw/zinc/48/95/54/815489554.db2.gz YWROHDKNGGMTEJ-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CCC[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C)C[C@H]2C1 ZINC001157688146 812317822 /nfs/dbraw/zinc/31/78/22/812317822.db2.gz GQQPDIVCSCQRBZ-CHWSQXEVSA-N 1 0 290.367 2.076 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001123454427 815519369 /nfs/dbraw/zinc/51/93/69/815519369.db2.gz XZRUWPLNKVXIRL-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO COc1ccc(C[C@H](C)N(C)CC(C)=O)c([N+](=O)[O-])c1 ZINC001170326976 812387331 /nfs/dbraw/zinc/38/73/31/812387331.db2.gz DMQSBXCWXMAOEP-JTQLQIEISA-N 1 0 280.324 2.055 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCF)c([N+](=O)[O-])c1 ZINC001170356068 812391289 /nfs/dbraw/zinc/39/12/89/812391289.db2.gz VWKNBUILQOSZNH-SNVBAGLBSA-N 1 0 270.304 2.436 20 5 CEBDRO CO[C@@H](C)C1C[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254564691 812485541 /nfs/dbraw/zinc/48/55/41/812485541.db2.gz MJWWEUIYOVWMEI-RYUDHWBXSA-N 1 0 278.352 2.493 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899093 815539877 /nfs/dbraw/zinc/53/98/77/815539877.db2.gz TWDPRFRMCKUSLL-BXUZGUMPSA-N 1 0 278.352 2.467 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1COC[C@@H]1F)CC2 ZINC001172908048 815540319 /nfs/dbraw/zinc/54/03/19/815540319.db2.gz WOMQCBRTCVAARS-AEGPPILISA-N 1 0 294.326 2.169 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902959 815540497 /nfs/dbraw/zinc/54/04/97/815540497.db2.gz NPLDYAKKJFEEII-RISCZKNCSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)C1CC1)CC2 ZINC001172904651 815540843 /nfs/dbraw/zinc/54/08/43/815540843.db2.gz ZCLLPPGRPZPZEL-GOEBONIOSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902269 815540904 /nfs/dbraw/zinc/54/09/04/815540904.db2.gz WSLZCUUCGRBDPF-RISCZKNCSA-N 1 0 278.352 2.060 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896001 815542905 /nfs/dbraw/zinc/54/29/05/815542905.db2.gz KNSHAULZDAVWOE-GOEBONIOSA-N 1 0 292.379 2.449 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH2+]C4(CC4)C3)c2c1 ZINC001158937733 813136735 /nfs/dbraw/zinc/13/67/35/813136735.db2.gz ABMRNLHXZVVECV-UHFFFAOYSA-N 1 0 284.319 2.085 20 5 CEBDRO CC(=O)Nc1ccc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171333795 814581047 /nfs/dbraw/zinc/58/10/47/814581047.db2.gz FNFYOTKDCPWOEE-LBPRGKRZSA-N 1 0 292.339 2.107 20 5 CEBDRO [NH3+]CCCN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000714338115 814896056 /nfs/dbraw/zinc/89/60/56/814896056.db2.gz NSBKEHZCAVRWOO-UHFFFAOYSA-N 1 0 291.273 2.308 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1CO ZINC001173218353 815624972 /nfs/dbraw/zinc/62/49/72/815624972.db2.gz AJULCJXQGNQJHR-ZLDLUXBVSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001173223592 815628029 /nfs/dbraw/zinc/62/80/29/815628029.db2.gz BHVBQAFOUIGHIO-HUBLWGQQSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001173223553 815628155 /nfs/dbraw/zinc/62/81/55/815628155.db2.gz AVSXDRVILQJUJO-LALPHHSUSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC001173226238 815629168 /nfs/dbraw/zinc/62/91/68/815629168.db2.gz LMUVDKTYNNPJBU-GXTWGEPZSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001173225503 815629892 /nfs/dbraw/zinc/62/98/92/815629892.db2.gz CPROKOPZVKCNTD-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC001173232371 815632179 /nfs/dbraw/zinc/63/21/79/815632179.db2.gz FSXBVZNHWBYEPW-QWHCGFSZSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC001173231307 815632807 /nfs/dbraw/zinc/63/28/07/815632807.db2.gz BEESARXCBAPPGY-CYBMUJFWSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nccc1C[NH3+] ZINC001173210042 815635885 /nfs/dbraw/zinc/63/58/85/815635885.db2.gz GZDDYGPPYFNPBL-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCOC1 ZINC001173214128 815636677 /nfs/dbraw/zinc/63/66/77/815636677.db2.gz MFRSCOMHRCYLSZ-YPMHNXCESA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnccn1 ZINC001173213601 815637022 /nfs/dbraw/zinc/63/70/22/815637022.db2.gz JCWLDQPAIMRKPQ-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c(F)c1 ZINC001161177853 815686986 /nfs/dbraw/zinc/68/69/86/815686986.db2.gz VRMAJEZBESUKOW-VIFPVBQESA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1O ZINC000449138916 282115682 /nfs/dbraw/zinc/11/56/82/282115682.db2.gz JQECVJLBNYJOLY-KYOSRNDESA-N 1 0 278.352 2.419 20 5 CEBDRO COC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079933137 343994719 /nfs/dbraw/zinc/99/47/19/343994719.db2.gz VZRBEALYNHQYTM-UHFFFAOYSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335617 346824645 /nfs/dbraw/zinc/82/46/45/346824645.db2.gz WKWFIAYNUHWBFZ-HIFRSBDPSA-N 1 0 275.352 2.169 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449196399 282138547 /nfs/dbraw/zinc/13/85/47/282138547.db2.gz RZUFGZWBZGUBDN-GFCCVEGCSA-N 1 0 264.329 2.104 20 5 CEBDRO CCOCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218466 282145382 /nfs/dbraw/zinc/14/53/82/282145382.db2.gz ILQJEVYNIPUFJX-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649090 361916974 /nfs/dbraw/zinc/91/69/74/361916974.db2.gz YTDQEVQQRQRHGK-GFCCVEGCSA-N 1 0 275.352 2.169 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738348 361925770 /nfs/dbraw/zinc/92/57/70/361925770.db2.gz PMARLHZKPRKDBT-QWRGUYRKSA-N 1 0 250.298 2.282 20 5 CEBDRO COC1CC[NH+](CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000080250007 344004501 /nfs/dbraw/zinc/00/45/01/344004501.db2.gz VDLRNWPAQUARFV-UHFFFAOYSA-N 1 0 279.340 2.118 20 5 CEBDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775658 361935894 /nfs/dbraw/zinc/93/58/94/361935894.db2.gz QNUHSDKVTBFYDH-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000449255451 282160268 /nfs/dbraw/zinc/16/02/68/282160268.db2.gz DKSLWXGIBSLBOT-NSHDSACASA-N 1 0 266.341 2.276 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080463946 344010191 /nfs/dbraw/zinc/01/01/91/344010191.db2.gz KKFKKXQXGPEJPH-AAEUAGOBSA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CC1 ZINC000449299939 282178331 /nfs/dbraw/zinc/17/83/31/282178331.db2.gz BRIXZXBAVDBYED-PRWKNARSSA-N 1 0 296.392 2.027 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000125958701 365693906 /nfs/dbraw/zinc/69/39/06/365693906.db2.gz CYXUQQLRPNTSMB-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000041158974 362023209 /nfs/dbraw/zinc/02/32/09/362023209.db2.gz ZGVMTYSSBRERNC-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000126503687 187244165 /nfs/dbraw/zinc/24/41/65/187244165.db2.gz BDXRYBJYZSDKDK-SUNKGSAMSA-N 1 0 291.351 2.160 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000043411723 362145864 /nfs/dbraw/zinc/14/58/64/362145864.db2.gz JLMILGWXEJUAJS-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000007365423 343359115 /nfs/dbraw/zinc/35/91/15/343359115.db2.gz XQYPHOJXWGQEPS-UHFFFAOYSA-N 1 0 284.319 2.316 20 5 CEBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000027350765 343392716 /nfs/dbraw/zinc/39/27/16/343392716.db2.gz UDADSANDFHMNBO-NSHDSACASA-N 1 0 292.339 2.201 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031099346 343407221 /nfs/dbraw/zinc/40/72/21/343407221.db2.gz CZKWICLRFSTMIJ-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000041319301 343439673 /nfs/dbraw/zinc/43/96/73/343439673.db2.gz SOAGVJNFTPCYKY-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1nn(C)c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675921 282261189 /nfs/dbraw/zinc/26/11/89/282261189.db2.gz XBXDHHWSCJPOBG-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000449506791 282262912 /nfs/dbraw/zinc/26/29/12/282262912.db2.gz LGAUOVGVOFTJEW-HOTGVXAUSA-N 1 0 290.363 2.482 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000044364567 343470268 /nfs/dbraw/zinc/47/02/68/343470268.db2.gz RIPGBNRALXDJRW-ZDUSSCGKSA-N 1 0 277.368 2.415 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048752171 343532341 /nfs/dbraw/zinc/53/23/41/343532341.db2.gz DXHNYQJOHSKCGE-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053377243 343575405 /nfs/dbraw/zinc/57/54/05/343575405.db2.gz HWTYUHHVVJNETH-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295062034 199325353 /nfs/dbraw/zinc/32/53/53/199325353.db2.gz YVFWXEZJCAQDFX-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1(CO)CC1 ZINC000449580446 282290915 /nfs/dbraw/zinc/29/09/15/282290915.db2.gz QNLBAPJBDFZHGG-HWKANZROSA-N 1 0 276.336 2.360 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000066137332 343707788 /nfs/dbraw/zinc/70/77/88/343707788.db2.gz OCFFVYWIXPRFEM-LLVKDONJSA-N 1 0 293.367 2.363 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000068935832 343777485 /nfs/dbraw/zinc/77/74/85/343777485.db2.gz QXIOLMXWKFXHHJ-LBPRGKRZSA-N 1 0 291.351 2.055 20 5 CEBDRO Cc1c(C[NH+]2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000048335230 362256159 /nfs/dbraw/zinc/25/61/59/362256159.db2.gz IDWUDZDWJVHCSO-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449643116 282316135 /nfs/dbraw/zinc/31/61/35/282316135.db2.gz YNYOVRYIWAEDQP-WCQYABFASA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000078424809 343952135 /nfs/dbraw/zinc/95/21/35/343952135.db2.gz XDKKMPPLOJLPGW-ZDUSSCGKSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449678197 282328254 /nfs/dbraw/zinc/32/82/54/282328254.db2.gz DWMMYGJWWXBFNU-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000089580856 344124921 /nfs/dbraw/zinc/12/49/21/344124921.db2.gz KUCLXYQVNAMSRY-NSHDSACASA-N 1 0 288.307 2.114 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057178 344135198 /nfs/dbraw/zinc/13/51/98/344135198.db2.gz SQEMDSDVBWQJEQ-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602431151 347030032 /nfs/dbraw/zinc/03/00/32/347030032.db2.gz CFRQQHWCBFKBPC-NSHDSACASA-N 1 0 297.330 2.179 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448942 347037617 /nfs/dbraw/zinc/03/76/17/347037617.db2.gz WKCXJBVRPOVLTP-LBPRGKRZSA-N 1 0 293.367 2.330 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@@H]1[NH3+] ZINC000122497769 344306559 /nfs/dbraw/zinc/30/65/59/344306559.db2.gz WPXPIKQPSYDSMJ-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000228560328 344560969 /nfs/dbraw/zinc/56/09/69/344560969.db2.gz AYIFWXJYONQRBF-JTQLQIEISA-N 1 0 260.253 2.069 20 5 CEBDRO Cc1n[nH]cc1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000050182839 362408492 /nfs/dbraw/zinc/40/84/92/362408492.db2.gz FPVAHOLBMMVHCZ-UHFFFAOYSA-N 1 0 280.353 2.410 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000449741507 282348627 /nfs/dbraw/zinc/34/86/27/282348627.db2.gz VEDWBCJOMXYUHU-AWEZNQCLSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297622 362489784 /nfs/dbraw/zinc/48/97/84/362489784.db2.gz WZTLTUVUPNBFJV-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000280139795 344673398 /nfs/dbraw/zinc/67/33/98/344673398.db2.gz CZRXIOTZDHWTPR-BXUZGUMPSA-N 1 0 292.335 2.144 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449747326 282351796 /nfs/dbraw/zinc/35/17/96/282351796.db2.gz IVMPNZSPQYDYHR-NSHDSACASA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000313871549 344744103 /nfs/dbraw/zinc/74/41/03/344744103.db2.gz LRGKRTGBXHYLFQ-LLVKDONJSA-N 1 0 293.371 2.248 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561104 347077622 /nfs/dbraw/zinc/07/76/22/347077622.db2.gz COTLNPMAUNZUOS-AAEUAGOBSA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c(F)c1 ZINC000449791714 282369827 /nfs/dbraw/zinc/36/98/27/282369827.db2.gz PZHWRTRKRHXLBW-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000584705555 344978164 /nfs/dbraw/zinc/97/81/64/344978164.db2.gz KCXHLBOETOLJIG-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054241165 362520625 /nfs/dbraw/zinc/52/06/25/362520625.db2.gz IXSMQYYEXJRFNM-JTQLQIEISA-N 1 0 267.304 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCOCC3)c2c1 ZINC000588933867 345060985 /nfs/dbraw/zinc/06/09/85/345060985.db2.gz IDNGQEYSGODEIN-UHFFFAOYSA-N 1 0 289.335 2.387 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148405 345225065 /nfs/dbraw/zinc/22/50/65/345225065.db2.gz OOHXXPUTARSWTC-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO C[NH+](C)CCN(c1ncc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000591160170 345226390 /nfs/dbraw/zinc/22/63/90/345226390.db2.gz ZRQGUJAICVOFAH-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000591179095 345229034 /nfs/dbraw/zinc/22/90/34/345229034.db2.gz DYYFMSHQEZTEGS-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000591275570 345236502 /nfs/dbraw/zinc/23/65/02/345236502.db2.gz DVAKFLYBUXBJAU-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275678 345236842 /nfs/dbraw/zinc/23/68/42/345236842.db2.gz WIWVPWFIANCZEA-ZDUSSCGKSA-N 1 0 263.341 2.135 20 5 CEBDRO Cc1cc(N2CCC[NH2+]CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000591424689 345249989 /nfs/dbraw/zinc/24/99/89/345249989.db2.gz RCVKORXKGRKPBE-UHFFFAOYSA-N 1 0 286.335 2.251 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591448682 345257220 /nfs/dbraw/zinc/25/72/20/345257220.db2.gz NNTOHHHSWJICFM-JSGCOSHPSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1sc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592248325 345340738 /nfs/dbraw/zinc/34/07/38/345340738.db2.gz YVVNFFYRZGDWCU-SNVBAGLBSA-N 1 0 297.380 2.035 20 5 CEBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592432355 345352674 /nfs/dbraw/zinc/35/26/74/345352674.db2.gz FHAXFDPFCLOIDG-CQSZACIVSA-N 1 0 263.341 2.025 20 5 CEBDRO C[NH+](C)C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000097927570 232189005 /nfs/dbraw/zinc/18/90/05/232189005.db2.gz XMZRFRUJZIZKIV-UHFFFAOYSA-N 1 0 269.370 2.230 20 5 CEBDRO Cc1cccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000057713056 362594070 /nfs/dbraw/zinc/59/40/70/362594070.db2.gz GKGWVURQODMBFZ-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO CC(C)C[N@H+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000593479642 345494393 /nfs/dbraw/zinc/49/43/93/345494393.db2.gz HJJIDNAHPFFWAM-UHFFFAOYSA-N 1 0 266.345 2.380 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000594016802 345567300 /nfs/dbraw/zinc/56/73/00/345567300.db2.gz IOUGMAJLYDSNGZ-CQSZACIVSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1c(C[N@@H+](C[C@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594056214 345575875 /nfs/dbraw/zinc/57/58/75/345575875.db2.gz RYRXMUFAIBVIQA-JTQLQIEISA-N 1 0 264.325 2.248 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495750 345638245 /nfs/dbraw/zinc/63/82/45/345638245.db2.gz VERBIAFHJQLVSQ-TZMCWYRMSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000594495231 345638384 /nfs/dbraw/zinc/63/83/84/345638384.db2.gz OIPGCEBEDYZFTM-CYBMUJFWSA-N 1 0 272.308 2.403 20 5 CEBDRO C[C@H](O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613150 345661998 /nfs/dbraw/zinc/66/19/98/345661998.db2.gz ABMDTWDMIOAGOZ-FUEXJSSKSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[C@H]([NH2+]C[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507504 345640353 /nfs/dbraw/zinc/64/03/53/345640353.db2.gz FNUHZHFHSXJKEI-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069913 345739476 /nfs/dbraw/zinc/73/94/76/345739476.db2.gz TVDXAZLKZLOOTJ-GHMZBOCLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H](CNCc1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000060390880 362660524 /nfs/dbraw/zinc/66/05/24/362660524.db2.gz JEODFZZQVSKOQZ-NSHDSACASA-N 1 0 283.397 2.478 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917039 345700613 /nfs/dbraw/zinc/70/06/13/345700613.db2.gz FYIKOZGVMALAHV-VXGBXAGGSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000594971132 345719840 /nfs/dbraw/zinc/71/98/40/345719840.db2.gz VWHOHBXBSDRBHR-LLVKDONJSA-N 1 0 272.251 2.109 20 5 CEBDRO Cc1noc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595305263 345758285 /nfs/dbraw/zinc/75/82/85/345758285.db2.gz ZQHDUYIXODVZCX-SNVBAGLBSA-N 1 0 297.355 2.407 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCCO ZINC000595022263 345729756 /nfs/dbraw/zinc/72/97/56/345729756.db2.gz TTYPEGGJWTYELJ-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000595035772 345732183 /nfs/dbraw/zinc/73/21/83/345732183.db2.gz MJLVAIVUJSDOBY-ZDUSSCGKSA-N 1 0 276.336 2.439 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000595046720 345734996 /nfs/dbraw/zinc/73/49/96/345734996.db2.gz QQQJDZZGNLGFCC-OUAUKWLOSA-N 1 0 280.324 2.431 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560338 345813857 /nfs/dbraw/zinc/81/38/57/345813857.db2.gz ARIALVDNRCCXCH-NWDGAFQWSA-N 1 0 295.339 2.282 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595343981 345765662 /nfs/dbraw/zinc/76/56/62/345765662.db2.gz QXYHLIWQRNLESX-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407145 345775576 /nfs/dbraw/zinc/77/55/76/345775576.db2.gz HYTBEXRJQJIEFS-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487015 345793739 /nfs/dbraw/zinc/79/37/39/345793739.db2.gz BUPGHZJPWGZSMR-GFCCVEGCSA-N 1 0 288.307 2.276 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000595504542 345797514 /nfs/dbraw/zinc/79/75/14/345797514.db2.gz FQPQGOPSRQMJJM-PHIMTYICSA-N 1 0 281.331 2.258 20 5 CEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512161 345800997 /nfs/dbraw/zinc/80/09/97/345800997.db2.gz OAZJRHKEIFADNZ-CQFDHEJISA-N 1 0 283.328 2.040 20 5 CEBDRO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664558 345842170 /nfs/dbraw/zinc/84/21/70/345842170.db2.gz ZXLGOGXJHYOSIU-SWLSCSKDSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595828422 345887548 /nfs/dbraw/zinc/88/75/48/345887548.db2.gz DSDULSNQQOUVNU-KBPBESRZSA-N 1 0 276.336 2.106 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595752317 345866309 /nfs/dbraw/zinc/86/63/09/345866309.db2.gz XFHVFQIBCPVFOQ-HBYGRHMLSA-N 1 0 294.351 2.052 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602581034 347087940 /nfs/dbraw/zinc/08/79/40/347087940.db2.gz PAQXERLTBNCTOB-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595776749 345873822 /nfs/dbraw/zinc/87/38/22/345873822.db2.gz CUOLTYYSJLUQRD-UONOGXRCSA-N 1 0 276.336 2.030 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595780829 345875420 /nfs/dbraw/zinc/87/54/20/345875420.db2.gz IUEHAZBONKZKMO-QWHCGFSZSA-N 1 0 280.299 2.127 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808047 345880393 /nfs/dbraw/zinc/88/03/93/345880393.db2.gz KTFQLEQEXDTYRP-RYUDHWBXSA-N 1 0 262.309 2.315 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595860127 345900330 /nfs/dbraw/zinc/90/03/30/345900330.db2.gz HILKIHIZHFFUNN-XHDPSFHLSA-N 1 0 294.351 2.054 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873710 345902984 /nfs/dbraw/zinc/90/29/84/345902984.db2.gz MPLAIGSQGVNJEO-ABAIWWIYSA-N 1 0 294.351 2.054 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000596016783 345923568 /nfs/dbraw/zinc/92/35/68/345923568.db2.gz UQWLJXNQGGWGOB-CYBMUJFWSA-N 1 0 296.758 2.223 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2=CCCC2)c1 ZINC000596067300 345931677 /nfs/dbraw/zinc/93/16/77/345931677.db2.gz YYRPMQRAWPPDIE-AWEZNQCLSA-N 1 0 292.335 2.034 20 5 CEBDRO CC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596074372 345933568 /nfs/dbraw/zinc/93/35/68/345933568.db2.gz SDNQHMIHMPJUCT-SNVBAGLBSA-N 1 0 298.774 2.351 20 5 CEBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])s1 ZINC000596084603 345936121 /nfs/dbraw/zinc/93/61/21/345936121.db2.gz CYWBOOZXGOYUHV-UHFFFAOYSA-N 1 0 299.396 2.223 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596112991 345942727 /nfs/dbraw/zinc/94/27/27/345942727.db2.gz YZBUAOFLIZVVMC-SECBINFHSA-N 1 0 255.343 2.328 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])s1 ZINC000596143170 345950482 /nfs/dbraw/zinc/95/04/82/345950482.db2.gz ZCQGUOCDNBJIMI-NSHDSACASA-N 1 0 279.365 2.415 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+](C)C)[C@@H]2C)n1 ZINC000596246499 345979474 /nfs/dbraw/zinc/97/94/74/345979474.db2.gz WEYNUHWMZYXFRY-RYUDHWBXSA-N 1 0 278.356 2.135 20 5 CEBDRO O=c1[nH]ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298132 345993766 /nfs/dbraw/zinc/99/37/66/345993766.db2.gz UQSBXJJWKZOILP-JQWIXIFHSA-N 1 0 292.339 2.124 20 5 CEBDRO COc1cc(NCC[C@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596433225 346022639 /nfs/dbraw/zinc/02/26/39/346022639.db2.gz SJCYNYUKFOYBDI-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212601 346150343 /nfs/dbraw/zinc/15/03/43/346150343.db2.gz VVFDPXJZXGPCIO-HIFRSBDPSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1nccn1CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597665824 346212630 /nfs/dbraw/zinc/21/26/30/346212630.db2.gz GOVDWOUTDDBPBH-UHFFFAOYSA-N 1 0 288.307 2.355 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368281 179038154 /nfs/dbraw/zinc/03/81/54/179038154.db2.gz MKFJQEYKPWGBOV-QWHCGFSZSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1nccnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000598672198 346397754 /nfs/dbraw/zinc/39/77/54/346397754.db2.gz MPGLKXSXUFLZOH-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000598682544 346400210 /nfs/dbraw/zinc/40/02/10/346400210.db2.gz OLLFDRGKXFKESW-SMDDNHRTSA-N 1 0 279.315 2.047 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351230 362717726 /nfs/dbraw/zinc/71/77/26/362717726.db2.gz LSBYOOXXPXCPGG-FZMZJTMJSA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCNc2ccccn2)cc1 ZINC000602592435 347091519 /nfs/dbraw/zinc/09/15/19/347091519.db2.gz FMVIZRBGCVLBKV-UHFFFAOYSA-N 1 0 286.335 2.234 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067241 346454926 /nfs/dbraw/zinc/45/49/26/346454926.db2.gz YEPVYUBANINLKD-CQDKDKBSSA-N 1 0 294.351 2.094 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@H]2C1 ZINC000599073052 346456067 /nfs/dbraw/zinc/45/60/67/346456067.db2.gz KRMIBCCQTAXAEG-BETUJISGSA-N 1 0 298.346 2.141 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000599084481 346457849 /nfs/dbraw/zinc/45/78/49/346457849.db2.gz RZPRVBJPIYIZCC-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000063218437 362762964 /nfs/dbraw/zinc/76/29/64/362762964.db2.gz QMURKYKISXKAQP-HNNXBMFYSA-N 1 0 286.331 2.288 20 5 CEBDRO C[NH2+]CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000063159703 362753630 /nfs/dbraw/zinc/75/36/30/362753630.db2.gz VKTIGNMTRDWYJQ-UHFFFAOYSA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063192313 362755836 /nfs/dbraw/zinc/75/58/36/362755836.db2.gz QBAWEENPWKSQJY-RISCZKNCSA-N 1 0 291.351 2.245 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000085637848 179110130 /nfs/dbraw/zinc/11/01/30/179110130.db2.gz IVHZFXPYTKOKMX-MCIONIFRSA-N 1 0 276.336 2.498 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599673076 346560046 /nfs/dbraw/zinc/56/00/46/346560046.db2.gz MGSUSLBMVXMWCD-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO C[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1(F)F ZINC000599511839 346531135 /nfs/dbraw/zinc/53/11/35/346531135.db2.gz BWGNFUMPILHUKT-NXEZZACHSA-N 1 0 288.298 2.014 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cn1 ZINC000600788955 346690570 /nfs/dbraw/zinc/69/05/70/346690570.db2.gz NVODTPYSUJXNKX-UHFFFAOYSA-N 1 0 298.346 2.062 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147755 346769210 /nfs/dbraw/zinc/76/92/10/346769210.db2.gz XBIDKQWZSNZALX-NSHDSACASA-N 1 0 274.267 2.009 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619720 347106357 /nfs/dbraw/zinc/10/63/57/347106357.db2.gz PWWKGTUSYGCPFN-IBUXWKBASA-N 1 0 264.325 2.054 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601229107 346796092 /nfs/dbraw/zinc/79/60/92/346796092.db2.gz GCHVCEKIFMHJHK-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO COCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602704298 347159473 /nfs/dbraw/zinc/15/94/73/347159473.db2.gz GANLSTFYSGYTDF-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776040 347193172 /nfs/dbraw/zinc/19/31/72/347193172.db2.gz OHNVRQYKDMTMFL-AOOOYVTPSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000602775310 347193684 /nfs/dbraw/zinc/19/36/84/347193684.db2.gz HHHGAGRVVKXFEF-PHIMTYICSA-N 1 0 266.345 2.363 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982659 347265473 /nfs/dbraw/zinc/26/54/73/347265473.db2.gz WGDDDTVBXTYOSX-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC000603406673 347361423 /nfs/dbraw/zinc/36/14/23/347361423.db2.gz NLCFGCQJPFAGEK-HTQZYQBOSA-N 1 0 270.358 2.192 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829234 365892580 /nfs/dbraw/zinc/89/25/80/365892580.db2.gz BRUZDSXZISSRNC-YPMHNXCESA-N 1 0 282.340 2.297 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609350946 347636245 /nfs/dbraw/zinc/63/62/45/347636245.db2.gz XXGONCCKZOQOLE-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1cc(C(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000610473288 347683344 /nfs/dbraw/zinc/68/33/44/347683344.db2.gz NVWHVEIYVJCRSI-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000610281812 347669507 /nfs/dbraw/zinc/66/95/07/347669507.db2.gz JUZHVDZTGCPYHG-JTQLQIEISA-N 1 0 265.338 2.107 20 5 CEBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000611412752 347776233 /nfs/dbraw/zinc/77/62/33/347776233.db2.gz YRVAOUZJIOFWHA-QMMMGPOBSA-N 1 0 253.327 2.305 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C[NH2+]1 ZINC000086468325 179299881 /nfs/dbraw/zinc/29/98/81/179299881.db2.gz JYZMKSCTXNYKSP-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000612483458 347891900 /nfs/dbraw/zinc/89/19/00/347891900.db2.gz DUTGHEXOSVTNKD-GFCCVEGCSA-N 1 0 270.304 2.495 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000612577403 347903862 /nfs/dbraw/zinc/90/38/62/347903862.db2.gz FCXXUEYIQURYBU-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)[NH+]1C ZINC000336893482 365937088 /nfs/dbraw/zinc/93/70/88/365937088.db2.gz UQNOBVADRPXSGP-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000351896820 219241566 /nfs/dbraw/zinc/24/15/66/219241566.db2.gz XSSKVFGBULADOH-UHFFFAOYSA-N 1 0 292.335 2.336 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000086874336 179364908 /nfs/dbraw/zinc/36/49/08/179364908.db2.gz BRFIJANBGPNYEN-LBPRGKRZSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000066138962 362852339 /nfs/dbraw/zinc/85/23/39/362852339.db2.gz TUPZFTUBSJDCGP-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000614710959 348230580 /nfs/dbraw/zinc/23/05/80/348230580.db2.gz ACQONQRNGURYLL-CHWSQXEVSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273382496 192133153 /nfs/dbraw/zinc/13/31/53/192133153.db2.gz MWWCNSPKEWZZLC-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000087515173 179438146 /nfs/dbraw/zinc/43/81/46/179438146.db2.gz VFRYFGZPRLLETH-NSHDSACASA-N 1 0 265.313 2.073 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000273437207 192149874 /nfs/dbraw/zinc/14/98/74/192149874.db2.gz VTZORMMKIZCWKW-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273434723 192148080 /nfs/dbraw/zinc/14/80/80/192148080.db2.gz YFNLGXBKFPKCIQ-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089107716 179703948 /nfs/dbraw/zinc/70/39/48/179703948.db2.gz XAXAVXIZBIVMCN-GXFFZTMASA-N 1 0 292.339 2.234 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618305267 348923528 /nfs/dbraw/zinc/92/35/28/348923528.db2.gz XQHPDNPQNXWYAX-GFCCVEGCSA-N 1 0 293.323 2.233 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000273485502 192170603 /nfs/dbraw/zinc/17/06/03/192170603.db2.gz VPUHGRHOHWMIOX-FZMZJTMJSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617297 215270876 /nfs/dbraw/zinc/27/08/76/215270876.db2.gz ROIWIORMXQRKBI-TXEJJXNPSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000619696328 349219350 /nfs/dbraw/zinc/21/93/50/349219350.db2.gz BGNDBERHUFGZMG-VIFPVBQESA-N 1 0 270.358 2.338 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000619531151 349194434 /nfs/dbraw/zinc/19/44/34/349194434.db2.gz ZVICHEMRFDMWMF-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531685 349194585 /nfs/dbraw/zinc/19/45/85/349194585.db2.gz VVLIKZBAKIUWGU-ZDUSSCGKSA-N 1 0 280.324 2.214 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104531219 186008585 /nfs/dbraw/zinc/00/85/85/186008585.db2.gz OYWJFRBSVTXVLW-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673273 180223839 /nfs/dbraw/zinc/22/38/39/180223839.db2.gz INULGBFYWMMHOB-NEPJUHHUSA-N 1 0 295.314 2.009 20 5 CEBDRO Cc1cc(NCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000092026888 180308782 /nfs/dbraw/zinc/30/87/82/180308782.db2.gz LGTBNXMKJCEWKA-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106908642 186150309 /nfs/dbraw/zinc/15/03/09/186150309.db2.gz FITLRJFFFILWIW-SMDDNHRTSA-N 1 0 293.367 2.358 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106908645 186149460 /nfs/dbraw/zinc/14/94/60/186149460.db2.gz FITLRJFFFILWIW-RISCZKNCSA-N 1 0 293.367 2.358 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106469087 186120116 /nfs/dbraw/zinc/12/01/16/186120116.db2.gz UDDDIXLOIXCZJB-LBPRGKRZSA-N 1 0 295.383 2.423 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107693673 186186274 /nfs/dbraw/zinc/18/62/74/186186274.db2.gz WHQLZEPXFIKEOM-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1cc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000111049921 186348205 /nfs/dbraw/zinc/34/82/05/186348205.db2.gz RNROIPFDKMBBHQ-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130999336 366012923 /nfs/dbraw/zinc/01/29/23/366012923.db2.gz XXOIBEHZCNRSNK-SECBINFHSA-N 1 0 296.277 2.420 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070149220 363037308 /nfs/dbraw/zinc/03/73/08/363037308.db2.gz NUZLCQRUIGVTSY-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177436 187076161 /nfs/dbraw/zinc/07/61/61/187076161.db2.gz CITZOJRSOVBZHX-CABCVRRESA-N 1 0 294.351 2.441 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000123681268 187104379 /nfs/dbraw/zinc/10/43/79/187104379.db2.gz QPSSRHZTZMISFL-LLVKDONJSA-N 1 0 271.386 2.462 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458981 191150417 /nfs/dbraw/zinc/15/04/17/191150417.db2.gz FSIAPDURRFKWCE-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000292005134 198132061 /nfs/dbraw/zinc/13/20/61/198132061.db2.gz COLOXBXRZMMLFU-LLVKDONJSA-N 1 0 289.335 2.016 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000271503877 191178636 /nfs/dbraw/zinc/17/86/36/191178636.db2.gz MMEZVLKNUCHRHQ-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224397694 539873102 /nfs/dbraw/zinc/87/31/02/539873102.db2.gz CMXZFKSIRPPVHW-LBPRGKRZSA-N 1 0 266.366 2.480 20 5 CEBDRO CCOc1cccc(NC[C@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000135058793 187792850 /nfs/dbraw/zinc/79/28/50/187792850.db2.gz BFHUUHUTPWDJGG-SNVBAGLBSA-N 1 0 267.329 2.261 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271623009 191245895 /nfs/dbraw/zinc/24/58/95/191245895.db2.gz XWHJPZYFYCNGHM-GHMZBOCLSA-N 1 0 252.318 2.054 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000137745557 187900455 /nfs/dbraw/zinc/90/04/55/187900455.db2.gz DIHDGGTUHISBJW-UHFFFAOYSA-N 1 0 265.313 2.298 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153129740 188066111 /nfs/dbraw/zinc/06/61/11/188066111.db2.gz RMVNYGUAXGPRAT-BJHJDKERSA-N 1 0 264.325 2.236 20 5 CEBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000155337926 188199875 /nfs/dbraw/zinc/19/98/75/188199875.db2.gz LPXWKLZXJIHJOH-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO COC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000271678992 191273890 /nfs/dbraw/zinc/27/38/90/191273890.db2.gz CDZYDCPTKKMBDY-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CSc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000157215059 188303722 /nfs/dbraw/zinc/30/37/22/188303722.db2.gz BQOZLMJHCWDLDX-JTQLQIEISA-N 1 0 297.380 2.030 20 5 CEBDRO CC(C)C(=O)NCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157568379 188324829 /nfs/dbraw/zinc/32/48/29/188324829.db2.gz CMVUPDFJWQVEOP-GFCCVEGCSA-N 1 0 293.367 2.360 20 5 CEBDRO C[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157733277 188335427 /nfs/dbraw/zinc/33/54/27/188335427.db2.gz HSTXIQXYPIEFJO-UHFFFAOYSA-N 1 0 276.292 2.279 20 5 CEBDRO COC(=O)CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000272028524 191473936 /nfs/dbraw/zinc/47/39/36/191473936.db2.gz MRVOBHAGYYOWLP-UHFFFAOYSA-N 1 0 280.324 2.418 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452101026 283187595 /nfs/dbraw/zinc/18/75/95/283187595.db2.gz RJYBNWXBKKBBFR-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000274265344 192510118 /nfs/dbraw/zinc/51/01/18/192510118.db2.gz LGGINUFWTRQKSN-UHFFFAOYSA-N 1 0 294.355 2.331 20 5 CEBDRO COc1cccc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134904299 366370847 /nfs/dbraw/zinc/37/08/47/366370847.db2.gz CFRGNYIROKVVLJ-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469278 199052476 /nfs/dbraw/zinc/05/24/76/199052476.db2.gz WNPJUXUVUKPBBX-MWLCHTKSSA-N 1 0 265.313 2.007 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000577707397 366384826 /nfs/dbraw/zinc/38/48/26/366384826.db2.gz FGSLWYJJJWLPNZ-VIFPVBQESA-N 1 0 280.303 2.025 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000414475484 236377177 /nfs/dbraw/zinc/37/71/77/236377177.db2.gz HHCHJQWCVSGHES-CQSZACIVSA-N 1 0 282.315 2.464 20 5 CEBDRO COCC[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000135167847 366403888 /nfs/dbraw/zinc/40/38/88/366403888.db2.gz DEQYSPVWYXXAOY-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)o1 ZINC000294850779 199213017 /nfs/dbraw/zinc/21/30/17/199213017.db2.gz NLVMJZVEKYWYBY-PHIMTYICSA-N 1 0 288.303 2.468 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415424029 236669880 /nfs/dbraw/zinc/66/98/80/236669880.db2.gz ACBSMWVNIURFGQ-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000415504849 236676762 /nfs/dbraw/zinc/67/67/62/236676762.db2.gz PQNWRJQDJMZCLF-TVQRCGJNSA-N 1 0 292.339 2.023 20 5 CEBDRO CN(Cc1cscn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001768 366533527 /nfs/dbraw/zinc/53/35/27/366533527.db2.gz WECKGCJUEZEBKT-ZDUSSCGKSA-N 1 0 293.348 2.217 20 5 CEBDRO [NH3+]CCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000238001094 283430443 /nfs/dbraw/zinc/43/04/43/283430443.db2.gz RFTXVABICDKFHG-UHFFFAOYSA-N 1 0 265.313 2.443 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C(C)(C)O)C1 ZINC000297358078 200161738 /nfs/dbraw/zinc/16/17/38/200161738.db2.gz HFWUWYQFTJXYCI-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO CCC[C@@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080524551 363666423 /nfs/dbraw/zinc/66/64/23/363666423.db2.gz LZJMRAWLTSFARY-LBPRGKRZSA-N 1 0 266.341 2.483 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484475 366589061 /nfs/dbraw/zinc/58/90/61/366589061.db2.gz KYRCECLEBXAOLL-JBLDHEPKSA-N 1 0 250.298 2.423 20 5 CEBDRO C[N@H+](CCc1cn[nH]c1)CCc1cccc([N+](=O)[O-])c1 ZINC000297720831 200268020 /nfs/dbraw/zinc/26/80/20/200268020.db2.gz RUZMQYOPQWEWEZ-UHFFFAOYSA-N 1 0 274.324 2.035 20 5 CEBDRO CC[NH2+]CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000151423342 366643705 /nfs/dbraw/zinc/64/37/05/366643705.db2.gz DQCOBZFOJOZQMT-UHFFFAOYSA-N 1 0 293.367 2.232 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000178361816 189109886 /nfs/dbraw/zinc/10/98/86/189109886.db2.gz XOZHTLCYXSJNEN-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183382652 189357346 /nfs/dbraw/zinc/35/73/46/189357346.db2.gz SJMIBQRGWHQNDD-OAHLLOKOSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061726 363795105 /nfs/dbraw/zinc/79/51/05/363795105.db2.gz KQMFSVCZSYHIHA-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO CCOc1cc(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301949606 201274225 /nfs/dbraw/zinc/27/42/25/201274225.db2.gz FSJBKFHIYVQGLJ-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000302103063 201342519 /nfs/dbraw/zinc/34/25/19/201342519.db2.gz MBZNDOZKPQBMGR-CYBMUJFWSA-N 1 0 293.371 2.307 20 5 CEBDRO CC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511974 363975402 /nfs/dbraw/zinc/97/54/02/363975402.db2.gz UJSUACSTYSRIIE-TZMCWYRMSA-N 1 0 277.368 2.415 20 5 CEBDRO C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795020 364063402 /nfs/dbraw/zinc/06/34/02/364063402.db2.gz FRNOYEBXEYGSFQ-RKDXNWHRSA-N 1 0 295.368 2.199 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000093989884 364244752 /nfs/dbraw/zinc/24/47/52/364244752.db2.gz FKXBVOUBYCADQD-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339718 364266080 /nfs/dbraw/zinc/26/60/80/364266080.db2.gz UGYOVFJWIDIXLE-GZMMTYOYSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000112343155 364796289 /nfs/dbraw/zinc/79/62/89/364796289.db2.gz LVAUNHNLUFCKIB-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112989757 364866508 /nfs/dbraw/zinc/86/65/08/364866508.db2.gz SZRJHPMIFBHXFS-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1ccnc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275408942 193025678 /nfs/dbraw/zinc/02/56/78/193025678.db2.gz FXARDXSSBNFFJC-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000159210386 366889695 /nfs/dbraw/zinc/88/96/95/366889695.db2.gz GYIDNWCYJYTERA-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000120925053 365496817 /nfs/dbraw/zinc/49/68/17/365496817.db2.gz VNTVUEUGFCDXJV-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000582608513 366934323 /nfs/dbraw/zinc/93/43/23/366934323.db2.gz ISESHLIUDUMKNC-SMDDNHRTSA-N 1 0 296.367 2.490 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000162213867 367144744 /nfs/dbraw/zinc/14/47/44/367144744.db2.gz OMUXWAZXGPCLAF-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509481 367165345 /nfs/dbraw/zinc/16/53/45/367165345.db2.gz TZPQHFMSCWANAU-OASPWFOLSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341204052 367219183 /nfs/dbraw/zinc/21/91/83/367219183.db2.gz OZDGQHZCVBYSMF-ZYHUDNBSSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccncc1[N+](=O)[O-] ZINC000341135718 367188896 /nfs/dbraw/zinc/18/88/96/367188896.db2.gz YPQWYXIMIYDTME-RYUDHWBXSA-N 1 0 278.356 2.087 20 5 CEBDRO C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446605 367240425 /nfs/dbraw/zinc/24/04/25/367240425.db2.gz XJXHMUSTONPBOU-KOLCDFICSA-N 1 0 269.370 2.073 20 5 CEBDRO Cc1ccc(C[N@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000275885000 193155042 /nfs/dbraw/zinc/15/50/42/193155042.db2.gz BKNXSUPGTCSKFO-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358010185 370869159 /nfs/dbraw/zinc/86/91/59/370869159.db2.gz DUTRAGFAVLWESR-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(Cl)c1 ZINC000172408293 367736590 /nfs/dbraw/zinc/73/65/90/367736590.db2.gz XFCPIPVWVCIELB-UHFFFAOYSA-N 1 0 270.720 2.151 20 5 CEBDRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173619702 367927120 /nfs/dbraw/zinc/92/71/20/367927120.db2.gz IEPLSZPXMOOZRT-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173709701 367935979 /nfs/dbraw/zinc/93/59/79/367935979.db2.gz RLDMHGFSJBUPJK-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245361 368001305 /nfs/dbraw/zinc/00/13/05/368001305.db2.gz HCCQFPZQTRWYAK-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO COC(=O)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000345304042 368228866 /nfs/dbraw/zinc/22/88/66/368228866.db2.gz OAPNZXBZQTZRFQ-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO C[C@H](c1ccco1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220087 368213958 /nfs/dbraw/zinc/21/39/58/368213958.db2.gz JNGYZIZCAUKAJO-SNVBAGLBSA-N 1 0 264.285 2.077 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177207276 368262945 /nfs/dbraw/zinc/26/29/45/368262945.db2.gz KTTUIQQLDPOLFH-RYUDHWBXSA-N 1 0 296.396 2.151 20 5 CEBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000182644598 368574245 /nfs/dbraw/zinc/57/42/45/368574245.db2.gz ZPTSJQIATJSJAB-NSHDSACASA-N 1 0 280.324 2.368 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293998204 299391259 /nfs/dbraw/zinc/39/12/59/299391259.db2.gz CJTDGYPUJDLTBA-GBIKHYSHSA-N 1 0 279.340 2.253 20 5 CEBDRO CCC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185858256 368873685 /nfs/dbraw/zinc/87/36/85/368873685.db2.gz CABLZRANDRXFKB-GFCCVEGCSA-N 1 0 266.345 2.446 20 5 CEBDRO C[NH+](C)CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349142758 369249610 /nfs/dbraw/zinc/24/96/10/369249610.db2.gz KHGNDLBVUBRJDI-UHFFFAOYSA-N 1 0 260.297 2.020 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349314753 369296178 /nfs/dbraw/zinc/29/61/78/369296178.db2.gz JKHQTZZLNUMGRL-LLVKDONJSA-N 1 0 292.257 2.306 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349383963 369316421 /nfs/dbraw/zinc/31/64/21/369316421.db2.gz NOKLUDYELQIIKX-IINYFYTJSA-N 1 0 264.325 2.106 20 5 CEBDRO C[N@@H+]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000349737544 369382285 /nfs/dbraw/zinc/38/22/85/369382285.db2.gz HZVURYMVUSDKNF-SNVBAGLBSA-N 1 0 274.280 2.064 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000349791213 369401886 /nfs/dbraw/zinc/40/18/86/369401886.db2.gz OSRVRCGUFBFGGN-OTDNITJGSA-N 1 0 268.288 2.151 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188836149 369416735 /nfs/dbraw/zinc/41/67/35/369416735.db2.gz ICNRHOLIEARQQT-DGCLKSJQSA-N 1 0 264.325 2.154 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000349850600 369422360 /nfs/dbraw/zinc/42/23/60/369422360.db2.gz LWPZDMRCHHUOAV-DLGQBQFBSA-N 1 0 250.298 2.012 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000351495040 369636799 /nfs/dbraw/zinc/63/67/99/369636799.db2.gz PNGKDQCMDGWOFU-UONOGXRCSA-N 1 0 282.315 2.375 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028271 369663025 /nfs/dbraw/zinc/66/30/25/369663025.db2.gz PRHDMWFDYDNTGQ-VIFPVBQESA-N 1 0 285.294 2.009 20 5 CEBDRO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352404259 369714723 /nfs/dbraw/zinc/71/47/23/369714723.db2.gz GADZDZCTXCBMMR-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](CCO)CC1CC1 ZINC000352484408 369751642 /nfs/dbraw/zinc/75/16/42/369751642.db2.gz OUOFOCSZXHRZNV-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c1 ZINC000192775813 369851632 /nfs/dbraw/zinc/85/16/32/369851632.db2.gz BPGAXBUPVCQOEW-UHFFFAOYSA-N 1 0 278.356 2.465 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352880862 369928883 /nfs/dbraw/zinc/92/88/83/369928883.db2.gz IRLCCHYBCNXHEC-ZDUSSCGKSA-N 1 0 270.304 2.231 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000193495846 369948283 /nfs/dbraw/zinc/94/82/83/369948283.db2.gz ICMUOKOOQIWFSI-CMPLNLGQSA-N 1 0 278.308 2.026 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000193856541 369985742 /nfs/dbraw/zinc/98/57/42/369985742.db2.gz UTGFKTLNFAKOFO-MRVPVSSYSA-N 1 0 258.347 2.194 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000194631034 370059971 /nfs/dbraw/zinc/05/99/71/370059971.db2.gz MHULVIHAOFBFHT-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889800 370228224 /nfs/dbraw/zinc/22/82/24/370228224.db2.gz WYFLWYDSIGQTRC-WPRPVWTQSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889760 370228452 /nfs/dbraw/zinc/22/84/52/370228452.db2.gz WYFLWYDSIGQTRC-SCZZXKLOSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+](C)C1CC1 ZINC000220150976 370230934 /nfs/dbraw/zinc/23/09/34/370230934.db2.gz OUKOGCXGXKEXTI-VIFPVBQESA-N 1 0 289.339 2.366 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217630343 370199068 /nfs/dbraw/zinc/19/90/68/370199068.db2.gz RSWYEQORCUSKSS-CABCVRRESA-N 1 0 275.352 2.311 20 5 CEBDRO C[C@@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000225782036 370317869 /nfs/dbraw/zinc/31/78/69/370317869.db2.gz OHLRQQNBAKWVHX-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000223243656 370262228 /nfs/dbraw/zinc/26/22/28/370262228.db2.gz YXTXEJSNFGZOLH-UHFFFAOYSA-N 1 0 252.314 2.234 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000223249702 370262718 /nfs/dbraw/zinc/26/27/18/370262718.db2.gz MFRNNOSBIMFLDI-UHFFFAOYSA-N 1 0 266.341 2.276 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC1CC1 ZINC000224528928 370279901 /nfs/dbraw/zinc/27/99/01/370279901.db2.gz GXPLUNRCALZIRC-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588109 370305410 /nfs/dbraw/zinc/30/54/10/370305410.db2.gz OMWJBKFAYJTZNM-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000227072303 370357729 /nfs/dbraw/zinc/35/77/29/370357729.db2.gz WYEUGNKQPSCCLN-MRVWCRGKSA-N 1 0 276.336 2.498 20 5 CEBDRO Cc1ccnc(NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227116187 370360470 /nfs/dbraw/zinc/36/04/70/370360470.db2.gz UXJARFYREPHHLE-JTQLQIEISA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)[N@H+](C)CCCNCc1ccccc1[N+](=O)[O-] ZINC000227436397 370371030 /nfs/dbraw/zinc/37/10/30/370371030.db2.gz OILMBIARVWTIAP-UHFFFAOYSA-N 1 0 265.357 2.415 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000227550092 370373695 /nfs/dbraw/zinc/37/36/95/370373695.db2.gz HYHXBQNXZIXOBM-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228031384 370393210 /nfs/dbraw/zinc/39/32/10/370393210.db2.gz JCNHYSMDRYUHOQ-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226343342 370337580 /nfs/dbraw/zinc/33/75/80/370337580.db2.gz JFDMPKYCAMUESU-FZMZJTMJSA-N 1 0 293.367 2.163 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCSC1 ZINC000226378618 370338699 /nfs/dbraw/zinc/33/86/99/370338699.db2.gz LRILKAHVWFTIGV-SNVBAGLBSA-N 1 0 282.365 2.446 20 5 CEBDRO COC[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354696402 370468443 /nfs/dbraw/zinc/46/84/43/370468443.db2.gz BSKXCIPYPGRINR-JPVGGKMYSA-N 1 0 250.298 2.233 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000231474271 370480708 /nfs/dbraw/zinc/48/07/08/370480708.db2.gz MQJVJYSCUONPRT-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236810199 370633014 /nfs/dbraw/zinc/63/30/14/370633014.db2.gz QNBWOLUTKJMGBS-ZDUSSCGKSA-N 1 0 293.367 2.161 20 5 CEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247531835 371121065 /nfs/dbraw/zinc/12/10/65/371121065.db2.gz ZYDDXHMZOADURY-SMDDNHRTSA-N 1 0 291.351 2.053 20 5 CEBDRO C[C@@H](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[NH+](C)C ZINC000358765249 371211119 /nfs/dbraw/zinc/21/11/19/371211119.db2.gz FBJKODDAIJOYTP-NSHDSACASA-N 1 0 274.324 2.408 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000359057879 371322321 /nfs/dbraw/zinc/32/23/21/371322321.db2.gz NRRZBSBIOJKQNJ-LLVKDONJSA-N 1 0 269.370 2.230 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000359121976 371345327 /nfs/dbraw/zinc/34/53/27/371345327.db2.gz FUARYOMJUBGPNS-KGLIPLIRSA-N 1 0 264.325 2.296 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000251700004 371413704 /nfs/dbraw/zinc/41/37/04/371413704.db2.gz JXAAQUNQBBJDHT-XHDPSFHLSA-N 1 0 294.351 2.460 20 5 CEBDRO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251782600 371416635 /nfs/dbraw/zinc/41/66/35/371416635.db2.gz LLRPSOPMFQNOKM-SWLSCSKDSA-N 1 0 294.351 2.330 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(Cl)c1 ZINC000252880429 371486957 /nfs/dbraw/zinc/48/69/57/371486957.db2.gz SPOAWTOSWUHZQN-WFBYXXMGSA-N 1 0 296.754 2.451 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000360987394 371582998 /nfs/dbraw/zinc/58/29/98/371582998.db2.gz ZPKFJHPCSMIYIK-CYBMUJFWSA-N 1 0 290.367 2.302 20 5 CEBDRO CC1(C)[C@H](O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361080786 371640357 /nfs/dbraw/zinc/64/03/57/371640357.db2.gz MBYWSRNMNGSCCY-BRLPQQTGSA-N 1 0 276.336 2.453 20 5 CEBDRO C[NH2+]C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000261580836 371661376 /nfs/dbraw/zinc/66/13/76/371661376.db2.gz FPIOMFJPGDYLNH-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000261695483 371703768 /nfs/dbraw/zinc/70/37/68/371703768.db2.gz BFSAJYLDCXAWRC-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361152193 371683560 /nfs/dbraw/zinc/68/35/60/371683560.db2.gz HFJADDIHGJRQEW-QWHCGFSZSA-N 1 0 277.368 2.428 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000261672906 371698005 /nfs/dbraw/zinc/69/80/05/371698005.db2.gz GIFLINQEEWJRNT-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000261875663 371758852 /nfs/dbraw/zinc/75/88/52/371758852.db2.gz VSSAWRZGEZTJQF-ZCFIWIBFSA-N 1 0 282.325 2.165 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344167676 217082693 /nfs/dbraw/zinc/08/26/93/217082693.db2.gz NQRAEFNENHOCDR-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268530780 372127025 /nfs/dbraw/zinc/12/70/25/372127025.db2.gz XGSWYZQACFFMDO-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268529367 372127055 /nfs/dbraw/zinc/12/70/55/372127055.db2.gz WSVJLANQBQNSJD-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362063602 372195654 /nfs/dbraw/zinc/19/56/54/372195654.db2.gz HMOUXPIHXMLRBC-GXSJLCMTSA-N 1 0 284.743 2.308 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268740639 372203956 /nfs/dbraw/zinc/20/39/56/372203956.db2.gz XWJUVNCNUYMUSN-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880947 372269808 /nfs/dbraw/zinc/26/98/08/372269808.db2.gz XPHLTNFRNAXWDG-GZMMTYOYSA-N 1 0 292.257 2.477 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269225942 372386549 /nfs/dbraw/zinc/38/65/49/372386549.db2.gz FBQKNUYHRNEIIX-LLVKDONJSA-N 1 0 299.758 2.238 20 5 CEBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000344408265 217183462 /nfs/dbraw/zinc/18/34/62/217183462.db2.gz KPZIZQSZSCLFOK-VOKGJARPSA-N 1 0 276.336 2.359 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000270232217 372710491 /nfs/dbraw/zinc/71/04/91/372710491.db2.gz QZIMSTJPDBSMOV-VIFPVBQESA-N 1 0 276.296 2.177 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353436567 220082023 /nfs/dbraw/zinc/08/20/23/220082023.db2.gz PHSLWJCAUHCYPI-JTQLQIEISA-N 1 0 269.370 2.182 20 5 CEBDRO CCN1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622545 217251247 /nfs/dbraw/zinc/25/12/47/217251247.db2.gz ZLDWECKZRMWSHY-TZMCWYRMSA-N 1 0 277.368 2.067 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]3CCC2CC3)c1 ZINC000344799949 217316464 /nfs/dbraw/zinc/31/64/64/217316464.db2.gz UREUKRDCQBOVCC-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000271071897 373104374 /nfs/dbraw/zinc/10/43/74/373104374.db2.gz FNHNITYQRKIHES-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268942062 220226184 /nfs/dbraw/zinc/22/61/84/220226184.db2.gz PRVZUWOTFRDIRO-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000370742709 373734861 /nfs/dbraw/zinc/73/48/61/373734861.db2.gz WVBGAAONCIWWMD-OAHLLOKOSA-N 1 0 276.336 2.392 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000274425449 373918012 /nfs/dbraw/zinc/91/80/12/373918012.db2.gz FTIGMAQAOOBGQB-JTQLQIEISA-N 1 0 266.297 2.008 20 5 CEBDRO CN(CC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276694768 374268644 /nfs/dbraw/zinc/26/86/44/374268644.db2.gz WPVLIOBCMLXZMV-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000277966562 374695464 /nfs/dbraw/zinc/69/54/64/374695464.db2.gz SJSGRZMPSLMHLL-NOZJJQNGSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278208014 374750171 /nfs/dbraw/zinc/75/01/71/374750171.db2.gz SNHLBNLYRVHBDQ-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204591 374751280 /nfs/dbraw/zinc/75/12/80/374751280.db2.gz HCBDDVLGJPMZFY-IINYFYTJSA-N 1 0 291.351 2.086 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376383527 374704705 /nfs/dbraw/zinc/70/47/05/374704705.db2.gz KLEPFBGUYLTGOL-GFCCVEGCSA-N 1 0 278.356 2.098 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000378005632 374999430 /nfs/dbraw/zinc/99/94/30/374999430.db2.gz ZGMLUYCVZIHFBF-ZDUSSCGKSA-N 1 0 292.335 2.226 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567718 375188827 /nfs/dbraw/zinc/18/88/27/375188827.db2.gz OTLJURANKVEYHR-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CC3)C2)cs1 ZINC000408174868 375422365 /nfs/dbraw/zinc/42/23/65/375422365.db2.gz NFZXEAQGJPIQED-UHFFFAOYSA-N 1 0 268.338 2.269 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311357 375454696 /nfs/dbraw/zinc/45/46/96/375454696.db2.gz MZNFXTGRUUFONX-YBTHPKLGSA-N 1 0 296.392 2.465 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072699 375648504 /nfs/dbraw/zinc/64/85/04/375648504.db2.gz KFKBVMLIIFZMQU-JQWIXIFHSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284080611 375805968 /nfs/dbraw/zinc/80/59/68/375805968.db2.gz NMWUYTURGCAMIW-JTQLQIEISA-N 1 0 279.340 2.133 20 5 CEBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995720 375793294 /nfs/dbraw/zinc/79/32/94/375793294.db2.gz HOJOBAKNBKXYAN-YGRLFVJLSA-N 1 0 281.356 2.499 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328682 375832647 /nfs/dbraw/zinc/83/26/47/375832647.db2.gz AUBFBXFZBMDARV-NWDGAFQWSA-N 1 0 293.367 2.467 20 5 CEBDRO C[C@]1(O)CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285603942 375842338 /nfs/dbraw/zinc/84/23/38/375842338.db2.gz LPWMUSLMITWTAB-ZDUSSCGKSA-N 1 0 286.278 2.220 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000414667452 375910099 /nfs/dbraw/zinc/91/00/99/375910099.db2.gz XTUQBEWVUPJHJM-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc(CN(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414791797 375973780 /nfs/dbraw/zinc/97/37/80/375973780.db2.gz RADREYJMRKNQHQ-UHFFFAOYSA-N 1 0 263.341 2.216 20 5 CEBDRO Cc1c(NC(=O)N(C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414709441 375933490 /nfs/dbraw/zinc/93/34/90/375933490.db2.gz RDMDCFODJMMSNR-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287425142 376229379 /nfs/dbraw/zinc/22/93/79/376229379.db2.gz SMBOQHFWZDUEPQ-NSHDSACASA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953311 376524359 /nfs/dbraw/zinc/52/43/59/376524359.db2.gz HUFYIGMDFHFBCF-NSHDSACASA-N 1 0 269.370 2.182 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390097 376687724 /nfs/dbraw/zinc/68/77/24/376687724.db2.gz XXMMSGRQADXHCM-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000264479342 190112940 /nfs/dbraw/zinc/11/29/40/190112940.db2.gz ZNDRCLFTWARLEE-RISCZKNCSA-N 1 0 294.351 2.339 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000290283221 376717584 /nfs/dbraw/zinc/71/75/84/376717584.db2.gz YHLBSJNTLQVKIA-JTQLQIEISA-N 1 0 283.328 2.038 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421005982 376782396 /nfs/dbraw/zinc/78/23/96/376782396.db2.gz VREFLWSMYZZLLD-AWEZNQCLSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000320587561 376824710 /nfs/dbraw/zinc/82/47/10/376824710.db2.gz VDQGFXZBWUFLFK-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000290583769 376842941 /nfs/dbraw/zinc/84/29/41/376842941.db2.gz CGIYLMXGUKGPIN-SECBINFHSA-N 1 0 284.335 2.457 20 5 CEBDRO Cc1ccc([C@H](C)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422922067 376861068 /nfs/dbraw/zinc/86/10/68/376861068.db2.gz RTTFBFWONVFWRJ-NSHDSACASA-N 1 0 263.341 2.306 20 5 CEBDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423142931 377042844 /nfs/dbraw/zinc/04/28/44/377042844.db2.gz BTLMLTQSBUFBID-COPLHBTASA-N 1 0 263.341 2.386 20 5 CEBDRO C[NH2+]CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253022 377172779 /nfs/dbraw/zinc/17/27/79/377172779.db2.gz YERUKELFFREYJW-ZDUSSCGKSA-N 1 0 263.341 2.126 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275907 377200850 /nfs/dbraw/zinc/20/08/50/377200850.db2.gz MHOJXZNNRIHFFQ-ZWNOBZJWSA-N 1 0 293.367 2.381 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898805 377316951 /nfs/dbraw/zinc/31/69/51/377316951.db2.gz RJIDACONJGLJRJ-CHWSQXEVSA-N 1 0 264.325 2.189 20 5 CEBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075349 377270563 /nfs/dbraw/zinc/27/05/63/377270563.db2.gz UWBQWKPJSGFJIV-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000564239244 377364964 /nfs/dbraw/zinc/36/49/64/377364964.db2.gz XULFIRODVXNSBD-UHFFFAOYSA-N 1 0 291.351 2.135 20 5 CEBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000293022919 377396480 /nfs/dbraw/zinc/39/64/80/377396480.db2.gz OZVIADCFXGBWBT-SECBINFHSA-N 1 0 258.343 2.295 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000293157121 377449999 /nfs/dbraw/zinc/44/99/99/377449999.db2.gz UGZGVIGFOYOZDU-JTQLQIEISA-N 1 0 267.304 2.122 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000293056816 377410159 /nfs/dbraw/zinc/41/01/59/377410159.db2.gz RZQXVOCDUXKTPP-BXUZGUMPSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000293381468 377543405 /nfs/dbraw/zinc/54/34/05/377543405.db2.gz LKJWNXHOIBHGED-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO CCC(C)(C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265184684 190164343 /nfs/dbraw/zinc/16/43/43/190164343.db2.gz HLMCXIRYJYAQPM-ZDUSSCGKSA-N 1 0 296.367 2.455 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332238391 377548338 /nfs/dbraw/zinc/54/83/38/377548338.db2.gz OMGBTPVEUSRKLH-FPMFFAJLSA-N 1 0 276.336 2.188 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000265260903 190170132 /nfs/dbraw/zinc/17/01/32/190170132.db2.gz SKGPEUYRSMJOMF-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[NH+]1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000566149547 377736115 /nfs/dbraw/zinc/73/61/15/377736115.db2.gz PMCLBWJOYVGELX-UHFFFAOYSA-N 1 0 290.367 2.375 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293827544 377777552 /nfs/dbraw/zinc/77/75/52/377777552.db2.gz WKCLZYTZQNEZNY-KBPBESRZSA-N 1 0 278.352 2.276 20 5 CEBDRO CC[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432318534 377742553 /nfs/dbraw/zinc/74/25/53/377742553.db2.gz BYXXFCWXYINGSI-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000567448015 377819084 /nfs/dbraw/zinc/81/90/84/377819084.db2.gz OSMHQEGKVPHMKG-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659506 378002683 /nfs/dbraw/zinc/00/26/83/378002683.db2.gz HFRRIRCMJNFQGN-ZANVPECISA-N 1 0 279.340 2.253 20 5 CEBDRO C[C@@H](CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295199678 378048519 /nfs/dbraw/zinc/04/85/19/378048519.db2.gz YKOWERXTIDCSRD-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO Nc1c(F)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000443425271 378052479 /nfs/dbraw/zinc/05/24/79/378052479.db2.gz CXZVBLWPYPIFDA-NXEZZACHSA-N 1 0 294.330 2.355 20 5 CEBDRO CCOCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511333 378110690 /nfs/dbraw/zinc/11/06/90/378110690.db2.gz LMOOSBLWAZILQO-CHWSQXEVSA-N 1 0 296.371 2.291 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295712545 378275803 /nfs/dbraw/zinc/27/58/03/378275803.db2.gz SBFOBIXLECXPLQ-SNVBAGLBSA-N 1 0 281.360 2.226 20 5 CEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000266052302 190226745 /nfs/dbraw/zinc/22/67/45/190226745.db2.gz XEXJBEOFYPVSPO-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000295902176 378349339 /nfs/dbraw/zinc/34/93/39/378349339.db2.gz FCNUZJIYCVXMHX-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450332608 378359605 /nfs/dbraw/zinc/35/96/05/378359605.db2.gz VCDVSQNZFBUBOU-JTQLQIEISA-N 1 0 289.339 2.002 20 5 CEBDRO CN(CC[NH+](C)C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450361978 378374948 /nfs/dbraw/zinc/37/49/48/378374948.db2.gz DOMAIGDNDFUYGB-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296229340 378460831 /nfs/dbraw/zinc/46/08/31/378460831.db2.gz DTAQAMITEXVRDD-NSHDSACASA-N 1 0 291.311 2.001 20 5 CEBDRO Cc1cc(N2CC(C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450785401 378578767 /nfs/dbraw/zinc/57/87/67/378578767.db2.gz AFEZZLGAYFVXNH-UHFFFAOYSA-N 1 0 287.319 2.270 20 5 CEBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450950968 378657866 /nfs/dbraw/zinc/65/78/66/378657866.db2.gz FCRXSIRNSRWNEW-LBPRGKRZSA-N 1 0 278.356 2.217 20 5 CEBDRO CC(C)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298747959 378820341 /nfs/dbraw/zinc/82/03/41/378820341.db2.gz LTIFPTHQZCBXNT-UHFFFAOYSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[NH+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000298763552 378825181 /nfs/dbraw/zinc/82/51/81/378825181.db2.gz VSUQAHUWAXATSC-UHFFFAOYSA-N 1 0 276.296 2.487 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405980 378890770 /nfs/dbraw/zinc/89/07/70/378890770.db2.gz OYHSGTDYQGIGRG-JQWIXIFHSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424543 378900575 /nfs/dbraw/zinc/90/05/75/378900575.db2.gz YGNRFIVFFQVGKS-STQMWFEESA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCSC3)nc2c1 ZINC000278607586 194066668 /nfs/dbraw/zinc/06/66/68/194066668.db2.gz GIHOBSINOUNMKG-QMMMGPOBSA-N 1 0 278.337 2.066 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000347243263 218166760 /nfs/dbraw/zinc/16/67/60/218166760.db2.gz UWBFBDNJVJHVFG-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)C1 ZINC000347360880 218204310 /nfs/dbraw/zinc/20/43/10/218204310.db2.gz PATAYSNHRQORIM-GMMCIKNFSA-N 1 0 276.336 2.312 20 5 CEBDRO CC[N@H+](CCNc1ncccc1[N+](=O)[O-])C(C)C ZINC000301198394 379218206 /nfs/dbraw/zinc/21/82/06/379218206.db2.gz VHGCKOPSYXGOTR-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301287274 379247211 /nfs/dbraw/zinc/24/72/11/379247211.db2.gz RKCIJZPATWVMHP-UHFFFAOYSA-N 1 0 272.736 2.443 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000302498569 379384542 /nfs/dbraw/zinc/38/45/42/379384542.db2.gz TWHOHBYRNAWMIP-SNVBAGLBSA-N 1 0 252.314 2.498 20 5 CEBDRO COc1cc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000302808184 379457958 /nfs/dbraw/zinc/45/79/58/379457958.db2.gz GHBPQMTVQBSHAO-UHFFFAOYSA-N 1 0 297.330 2.496 20 5 CEBDRO C[C@@H](O)[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000304016671 379512124 /nfs/dbraw/zinc/51/21/24/379512124.db2.gz WVAYPVKHTCPUBS-ZWNOBZJWSA-N 1 0 282.315 2.469 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000266982945 190295145 /nfs/dbraw/zinc/29/51/45/190295145.db2.gz BBZKLDLFRGTEQG-UHFFFAOYSA-N 1 0 256.277 2.202 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457026929 379632084 /nfs/dbraw/zinc/63/20/84/379632084.db2.gz IKSGYQZOUSKAQP-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267078230 190301842 /nfs/dbraw/zinc/30/18/42/190301842.db2.gz XETLZOVXAFGLTP-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCCSC2)c([N+](=O)[O-])cc1O ZINC000267148025 190306708 /nfs/dbraw/zinc/30/67/08/190306708.db2.gz BNINULWJXFMDDU-SNVBAGLBSA-N 1 0 298.364 2.294 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000305151762 379662896 /nfs/dbraw/zinc/66/28/96/379662896.db2.gz AJNFTYQFYBNPLU-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305177249 379673066 /nfs/dbraw/zinc/67/30/66/379673066.db2.gz LZWSKRKHTHBEKR-IAQYHMDHSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCn2ccnc2C1 ZINC000489895693 380220288 /nfs/dbraw/zinc/22/02/88/380220288.db2.gz LRZVLQBZDCLWMI-SECBINFHSA-N 1 0 293.714 2.267 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000542864029 380319449 /nfs/dbraw/zinc/31/94/49/380319449.db2.gz CNRHOGGFYKIZPM-GFCCVEGCSA-N 1 0 278.356 2.360 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235345 194345758 /nfs/dbraw/zinc/34/57/58/194345758.db2.gz FFSIAEVOWHYFQR-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCC[NH2+]C1)CCC2 ZINC000332197867 285145667 /nfs/dbraw/zinc/14/56/67/285145667.db2.gz DZPSAJKIBBIBNI-SWLSCSKDSA-N 1 0 275.352 2.314 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000289062848 197224983 /nfs/dbraw/zinc/22/49/83/197224983.db2.gz RJKVBUJGZCAREF-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190930651 533440156 /nfs/dbraw/zinc/44/01/56/533440156.db2.gz QPKZHDQOXSSEIH-WCQYABFASA-N 1 0 250.298 2.252 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261539173 131150840 /nfs/dbraw/zinc/15/08/40/131150840.db2.gz XAQNRGZWDPLPON-LBPRGKRZSA-N 1 0 251.286 2.051 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000261664720 131160638 /nfs/dbraw/zinc/16/06/38/131160638.db2.gz KVNDDTWGLYGRHF-COPLHBTASA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000261748699 131166260 /nfs/dbraw/zinc/16/62/60/131166260.db2.gz SYEJBHZOBHUZMO-OLUVUFQESA-N 1 0 291.351 2.020 20 5 CEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261811100 131170423 /nfs/dbraw/zinc/17/04/23/131170423.db2.gz ZQQYNCSUBSLPQI-AAEUAGOBSA-N 1 0 291.351 2.119 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261953633 131179534 /nfs/dbraw/zinc/17/95/34/131179534.db2.gz IDAVVOQLZIMKLK-JOYOIKCWSA-N 1 0 263.297 2.051 20 5 CEBDRO CCCN(CC)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219403992 394458936 /nfs/dbraw/zinc/45/89/36/394458936.db2.gz BUTVULDLRUBJLQ-UHFFFAOYSA-N 1 0 279.384 2.459 20 5 CEBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000302000818 394470309 /nfs/dbraw/zinc/47/03/09/394470309.db2.gz IYTCFXPJUCORGU-UHFFFAOYSA-N 1 0 298.346 2.407 20 5 CEBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000413056111 394475971 /nfs/dbraw/zinc/47/59/71/394475971.db2.gz TYFOASQTRORXND-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CCCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355632244 394482231 /nfs/dbraw/zinc/48/22/31/394482231.db2.gz WGOKEDIBBWWLSQ-UHFFFAOYSA-N 1 0 292.339 2.066 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413325872 394527920 /nfs/dbraw/zinc/52/79/20/394527920.db2.gz UVGWHLRNPRAJNI-SNVBAGLBSA-N 1 0 282.319 2.048 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000421774952 394590628 /nfs/dbraw/zinc/59/06/28/394590628.db2.gz VTVNDCPICVQKDR-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356749486 394601494 /nfs/dbraw/zinc/60/14/94/394601494.db2.gz YERVQVPRWURTMT-NSHDSACASA-N 1 0 279.340 2.053 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309494 394631422 /nfs/dbraw/zinc/63/14/22/394631422.db2.gz QIWWERSQQTXAQF-NEPJUHHUSA-N 1 0 293.367 2.406 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422719942 394739043 /nfs/dbraw/zinc/73/90/43/394739043.db2.gz RQSAXAINHPDBSI-KGLIPLIRSA-N 1 0 293.367 2.353 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422722254 394740456 /nfs/dbraw/zinc/74/04/56/394740456.db2.gz XJHBWPUUEQOTJP-SMDDNHRTSA-N 1 0 293.367 2.081 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(O)C1 ZINC000267294439 394676055 /nfs/dbraw/zinc/67/60/55/394676055.db2.gz AQOWPBIAMKUSRA-GXFFZTMASA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1cnc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268109718 394689931 /nfs/dbraw/zinc/68/99/31/394689931.db2.gz CBVQRBSWIKXJBO-NEPJUHHUSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414112199 394705952 /nfs/dbraw/zinc/70/59/52/394705952.db2.gz MWXOTSFZCRPZFL-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000422746946 394756380 /nfs/dbraw/zinc/75/63/80/394756380.db2.gz XPFVDLVUFQAEFW-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000272285832 394770414 /nfs/dbraw/zinc/77/04/14/394770414.db2.gz GBYIJKSYMFOOKQ-VXGBXAGGSA-N 1 0 264.325 2.278 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000414934896 394810743 /nfs/dbraw/zinc/81/07/43/394810743.db2.gz VOLKTEHLZSQIQN-AWEZNQCLSA-N 1 0 277.368 2.463 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414941970 394814090 /nfs/dbraw/zinc/81/40/90/394814090.db2.gz DDEAIYLDQCWULH-AAEUAGOBSA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000361163640 394818697 /nfs/dbraw/zinc/81/86/97/394818697.db2.gz BMGVPXNSLYUTJE-QWHCGFSZSA-N 1 0 277.368 2.428 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000422855610 394832023 /nfs/dbraw/zinc/83/20/23/394832023.db2.gz CQROKJXYOYVWKW-ZDUSSCGKSA-N 1 0 291.351 2.185 20 5 CEBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000414986520 394837586 /nfs/dbraw/zinc/83/75/86/394837586.db2.gz HOUIMGVVGBZAKF-SNVBAGLBSA-N 1 0 293.701 2.320 20 5 CEBDRO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423362226 394901347 /nfs/dbraw/zinc/90/13/47/394901347.db2.gz MYHGHRBICZFGFI-DGCLKSJQSA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423371940 394904597 /nfs/dbraw/zinc/90/45/97/394904597.db2.gz VODFYEIPMNHUBP-DGCLKSJQSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415307798 394919622 /nfs/dbraw/zinc/91/96/22/394919622.db2.gz ZFFULSPSABEYES-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc(NC(=O)NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415411673 394928889 /nfs/dbraw/zinc/92/88/89/394928889.db2.gz BMAURJHDJJRZHA-UHFFFAOYSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415509678 394939873 /nfs/dbraw/zinc/93/98/73/394939873.db2.gz XCBNKWBILDHTSV-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423523938 394945158 /nfs/dbraw/zinc/94/51/58/394945158.db2.gz IZYSRKMOIHHJNO-NSHDSACASA-N 1 0 263.341 2.388 20 5 CEBDRO COCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152098722 394986802 /nfs/dbraw/zinc/98/68/02/394986802.db2.gz MATWXHRSKAISEV-ZDUSSCGKSA-N 1 0 264.325 2.152 20 5 CEBDRO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834739 394997864 /nfs/dbraw/zinc/99/78/64/394997864.db2.gz COZQWCIYOVUIDM-LLVKDONJSA-N 1 0 299.758 2.095 20 5 CEBDRO CC(C)[C@H](C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834740 394998352 /nfs/dbraw/zinc/99/83/52/394998352.db2.gz COZQWCIYOVUIDM-NSHDSACASA-N 1 0 299.758 2.095 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618108 395023535 /nfs/dbraw/zinc/02/35/35/395023535.db2.gz XWCJNPZOJKGKBK-FZMZJTMJSA-N 1 0 263.341 2.340 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415768903 394962716 /nfs/dbraw/zinc/96/27/16/394962716.db2.gz WHBKDGSSSHIEIO-UHFFFAOYSA-N 1 0 292.339 2.112 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423688834 394966186 /nfs/dbraw/zinc/96/61/86/394966186.db2.gz XVBNBQXGSXECHA-NSHDSACASA-N 1 0 279.340 2.185 20 5 CEBDRO C[NH+](C)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000170908169 395092581 /nfs/dbraw/zinc/09/25/81/395092581.db2.gz GNHJKEHSVVOMHN-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000423951760 395033204 /nfs/dbraw/zinc/03/32/04/395033204.db2.gz PFVHLKUFKDOXCJ-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO CO[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291015264 395120339 /nfs/dbraw/zinc/12/03/39/395120339.db2.gz FRNHVNMPQUJBJT-CQSZACIVSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C(F)F)CCC2 ZINC000436282598 395104695 /nfs/dbraw/zinc/10/46/95/395104695.db2.gz HQWKZQPYERSNCH-NEPJUHHUSA-N 1 0 286.278 2.188 20 5 CEBDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397962601 395230759 /nfs/dbraw/zinc/23/07/59/395230759.db2.gz DYUTVPXJYIWFCR-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c(F)c1 ZINC000438908358 395236086 /nfs/dbraw/zinc/23/60/86/395236086.db2.gz UTUYZXNQMKOZBQ-YUTCNCBUSA-N 1 0 280.299 2.391 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814773 395238002 /nfs/dbraw/zinc/23/80/02/395238002.db2.gz QNBZNZWYGSJPCR-GHMZBOCLSA-N 1 0 282.315 2.184 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596139 395241662 /nfs/dbraw/zinc/24/16/62/395241662.db2.gz FTEGCNOLFJWCTK-QMTHXVAHSA-N 1 0 281.356 2.379 20 5 CEBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)[N@H+]1C ZINC000292735014 395203444 /nfs/dbraw/zinc/20/34/44/395203444.db2.gz ILUMUJJWOUPEMQ-PHIMTYICSA-N 1 0 290.367 2.092 20 5 CEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000420277518 395289671 /nfs/dbraw/zinc/28/96/71/395289671.db2.gz MZVPZMWYGMUBSV-LBPRGKRZSA-N 1 0 289.339 2.003 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420279056 395291175 /nfs/dbraw/zinc/29/11/75/395291175.db2.gz JOMCQBYUMBWQHH-WDEREUQCSA-N 1 0 264.329 2.228 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353432166 395296873 /nfs/dbraw/zinc/29/68/73/395296873.db2.gz BAHWGYLEXSNLMC-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408310343 395297637 /nfs/dbraw/zinc/29/76/37/395297637.db2.gz RKZNIFKJGNMHQN-WOPDTQHZSA-N 1 0 278.356 2.481 20 5 CEBDRO C[N@@H+]1CC[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000187681599 395303846 /nfs/dbraw/zinc/30/38/46/395303846.db2.gz MSDQRYVCNFXVRV-SECBINFHSA-N 1 0 253.327 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([NH3+])CCC1 ZINC000420298900 395304643 /nfs/dbraw/zinc/30/46/43/395304643.db2.gz ADKQERKUXVDMNU-NSHDSACASA-N 1 0 263.341 2.435 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000192498296 395385130 /nfs/dbraw/zinc/38/51/30/395385130.db2.gz FNJGTPSSTWFTDL-LLVKDONJSA-N 1 0 295.387 2.263 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)C1 ZINC000420340301 395335973 /nfs/dbraw/zinc/33/59/73/395335973.db2.gz RDMLOQAWYOPSFA-LBPRGKRZSA-N 1 0 293.367 2.176 20 5 CEBDRO CC(C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000444751970 395451783 /nfs/dbraw/zinc/45/17/83/395451783.db2.gz REZNOAGMKQHNBY-GFCCVEGCSA-N 1 0 266.345 2.159 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420645054 395400982 /nfs/dbraw/zinc/40/09/82/395400982.db2.gz ZUFRDSLTUGZTBY-LLVKDONJSA-N 1 0 290.367 2.093 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340767 395415191 /nfs/dbraw/zinc/41/51/91/395415191.db2.gz WXWZAWMXLDTUGU-QWRGUYRKSA-N 1 0 266.345 2.339 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](C)CC1 ZINC000565474722 395472645 /nfs/dbraw/zinc/47/26/45/395472645.db2.gz WDSLZEZNMLFCJE-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO Cc1c(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000568713019 395566936 /nfs/dbraw/zinc/56/69/36/395566936.db2.gz NNSMYHOVBXWMBK-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000450863762 395580126 /nfs/dbraw/zinc/58/01/26/395580126.db2.gz UDSKLHWYRSWLMC-NSHDSACASA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000451201959 395593388 /nfs/dbraw/zinc/59/33/88/395593388.db2.gz VVVHAGQTKSZCAI-NSHDSACASA-N 1 0 295.314 2.276 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230151796 153379565 /nfs/dbraw/zinc/37/95/65/153379565.db2.gz BQEDCEQKEIEFBR-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230153260 153385460 /nfs/dbraw/zinc/38/54/60/153385460.db2.gz VIOCJEWEBOXERW-YGRLFVJLSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000235598006 153439849 /nfs/dbraw/zinc/43/98/49/153439849.db2.gz BZUCERVLTXVKDE-BXUZGUMPSA-N 1 0 280.324 2.131 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1 ZINC000338783231 286383327 /nfs/dbraw/zinc/38/33/27/286383327.db2.gz FXMCBUDDHJSGQN-GHMZBOCLSA-N 1 0 279.340 2.132 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262029464 153899719 /nfs/dbraw/zinc/89/97/19/153899719.db2.gz XBWUHNQZRWRART-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[N@@H+]1C ZINC000313347647 154208072 /nfs/dbraw/zinc/20/80/72/154208072.db2.gz NBSBMPXOHOINLW-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000159787666 162312628 /nfs/dbraw/zinc/31/26/28/162312628.db2.gz CELQFNVAUXQKCM-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163741761 162334918 /nfs/dbraw/zinc/33/49/18/162334918.db2.gz FFTKUXLBDJFEKP-MNOVXSKESA-N 1 0 292.339 2.043 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766412 165042171 /nfs/dbraw/zinc/04/21/71/165042171.db2.gz GVZBADKNIQCPCJ-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO COc1cc(N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000174708761 165115759 /nfs/dbraw/zinc/11/57/59/165115759.db2.gz VRRCOZGHKDNFBG-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO CC[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176259713 165159232 /nfs/dbraw/zinc/15/92/32/165159232.db2.gz OVVABFUPFPGQFJ-LBPRGKRZSA-N 1 0 266.345 2.446 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177206249 165188169 /nfs/dbraw/zinc/18/81/69/165188169.db2.gz QKJXKNAAWCYVEV-QWHCGFSZSA-N 1 0 296.396 2.151 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338825 287145098 /nfs/dbraw/zinc/14/50/98/287145098.db2.gz MOHCUTQHTGMYKD-SUNKGSAMSA-N 1 0 263.341 2.325 20 5 CEBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000024204701 171432836 /nfs/dbraw/zinc/43/28/36/171432836.db2.gz LGEFHSXMJVANOD-LBPRGKRZSA-N 1 0 297.403 2.497 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026640 196181515 /nfs/dbraw/zinc/18/15/15/196181515.db2.gz HOTQNOMRMCNNKF-BMPPAVAUSA-N 1 0 279.340 2.155 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000285032209 196182333 /nfs/dbraw/zinc/18/23/33/196182333.db2.gz HUQPQRLABCDBBU-UMNHJUIQSA-N 1 0 279.340 2.253 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000035272288 172092919 /nfs/dbraw/zinc/09/29/19/172092919.db2.gz YBZBCQGTUCGDLH-LBPRGKRZSA-N 1 0 274.324 2.278 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000035275289 172095157 /nfs/dbraw/zinc/09/51/57/172095157.db2.gz BTBOTILHIVQJIA-GFCCVEGCSA-N 1 0 274.324 2.278 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000285490364 196302348 /nfs/dbraw/zinc/30/23/48/196302348.db2.gz WRCQHQXBFMFENF-XBXGTLAGSA-N 1 0 280.324 2.083 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037491218 173232315 /nfs/dbraw/zinc/23/23/15/173232315.db2.gz GDTCNJHIPDIDEH-UHFFFAOYSA-N 1 0 265.313 2.312 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038011310 173979566 /nfs/dbraw/zinc/97/95/66/173979566.db2.gz SODRUHGZYMGVHD-SECBINFHSA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000038079455 174089259 /nfs/dbraw/zinc/08/92/59/174089259.db2.gz VYMZJQRLBXEACY-FZMZJTMJSA-N 1 0 280.324 2.131 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1cccc([N+](=O)[O-])c1 ZINC000565726842 298920104 /nfs/dbraw/zinc/92/01/04/298920104.db2.gz ZSNGOONIMMYNTL-UHFFFAOYSA-N 1 0 275.352 2.298 20 5 CEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000044526257 175191579 /nfs/dbraw/zinc/19/15/79/175191579.db2.gz HWPUJQNJBHEQNS-UHFFFAOYSA-N 1 0 294.311 2.257 20 5 CEBDRO CC[C@@H]([NH2+]CCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044694024 175234973 /nfs/dbraw/zinc/23/49/73/175234973.db2.gz CSGKHTQNDMUJAV-CQSZACIVSA-N 1 0 282.340 2.299 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045072376 175302019 /nfs/dbraw/zinc/30/20/19/175302019.db2.gz BPZLHYCVKGTDSZ-LLVKDONJSA-N 1 0 279.340 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2CCO)c1 ZINC000078497900 177347699 /nfs/dbraw/zinc/34/76/99/177347699.db2.gz STCJPFYQSHXGNX-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000078542619 177351935 /nfs/dbraw/zinc/35/19/35/177351935.db2.gz ICQGLCOOIOVGIA-CYBMUJFWSA-N 1 0 294.311 2.255 20 5 CEBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000078748507 177381727 /nfs/dbraw/zinc/38/17/27/177381727.db2.gz KKFRDZNUTHQOTH-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncnn1C ZINC000449276836 260344616 /nfs/dbraw/zinc/34/46/16/260344616.db2.gz DBBDOQHFBACCGN-QWRGUYRKSA-N 1 0 289.339 2.005 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425358695 264070231 /nfs/dbraw/zinc/07/02/31/264070231.db2.gz RCCMEWCAEGUCGL-HSBHDXMMSA-N 1 0 299.334 2.216 20 5 CEBDRO CO[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418546 264296503 /nfs/dbraw/zinc/29/65/03/264296503.db2.gz IYLJZRYCQHDEDF-HNNXBMFYSA-N 1 0 276.336 2.378 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514613986 266018528 /nfs/dbraw/zinc/01/85/28/266018528.db2.gz FAJUXSNXXLNQRN-ZWNOBZJWSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CCO)CC1 ZINC000189993327 270265976 /nfs/dbraw/zinc/26/59/76/270265976.db2.gz XIIFVRZQWZMBTF-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190032029 270266281 /nfs/dbraw/zinc/26/62/81/270266281.db2.gz DJWKAPCBPDFPQB-RYUDHWBXSA-N 1 0 298.412 2.445 20 5 CEBDRO Cc1cnn(C)c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285504610 270331679 /nfs/dbraw/zinc/33/16/79/270331679.db2.gz QHSFGFQLTUTKSY-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000423589585 270926837 /nfs/dbraw/zinc/92/68/37/270926837.db2.gz AGNOIMOMTGPRFL-NWDGAFQWSA-N 1 0 291.351 2.034 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000425253345 271147390 /nfs/dbraw/zinc/14/73/90/271147390.db2.gz JFFHQMYXLAZPLM-UHFFFAOYSA-N 1 0 284.335 2.094 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551621 271168378 /nfs/dbraw/zinc/16/83/78/271168378.db2.gz QNFFAVOFDOOUOI-ZYHUDNBSSA-N 1 0 287.323 2.263 20 5 CEBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425977936 271193187 /nfs/dbraw/zinc/19/31/87/271193187.db2.gz NLZHJRLXVYLZQM-FAQJLRJSSA-N 1 0 276.336 2.311 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000430213512 271363607 /nfs/dbraw/zinc/36/36/07/271363607.db2.gz UDBJDEFYGJSFOB-AWEZNQCLSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430571595 271391570 /nfs/dbraw/zinc/39/15/70/271391570.db2.gz OFUAGHGCCNMTQI-YGRLFVJLSA-N 1 0 281.331 2.293 20 5 CEBDRO CC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413027173 273667383 /nfs/dbraw/zinc/66/73/83/273667383.db2.gz YCUWNXIEUKSKPA-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)n1 ZINC000408171116 274686251 /nfs/dbraw/zinc/68/62/51/274686251.db2.gz HDCQEZPAQQJZCC-UHFFFAOYSA-N 1 0 278.356 2.137 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000328467592 275881266 /nfs/dbraw/zinc/88/12/66/275881266.db2.gz XXDWSUWMMTTYBD-LBPRGKRZSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341690597 276104095 /nfs/dbraw/zinc/10/40/95/276104095.db2.gz CWJYEBLCIZTEBQ-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CCOc1cccc(N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000273177271 276381222 /nfs/dbraw/zinc/38/12/22/276381222.db2.gz NQQAPMUDSVMRIZ-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277318519 276869402 /nfs/dbraw/zinc/86/94/02/276869402.db2.gz QOSAYXCPRLVPBG-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000111268116 277012627 /nfs/dbraw/zinc/01/26/27/277012627.db2.gz XFCOGUVPXSTYAB-YPMHNXCESA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000378269630 277033112 /nfs/dbraw/zinc/03/31/12/277033112.db2.gz YZBPHZXUFCLNHG-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CC[C@H]21 ZINC000286161391 277070094 /nfs/dbraw/zinc/07/00/94/277070094.db2.gz JLHADNYNASFZDA-DGCLKSJQSA-N 1 0 290.367 2.098 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000378448575 277146786 /nfs/dbraw/zinc/14/67/86/277146786.db2.gz COYNUQAIUFTODX-RISCZKNCSA-N 1 0 261.325 2.125 20 5 CEBDRO CSCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000340691158 278130489 /nfs/dbraw/zinc/13/04/89/278130489.db2.gz QDXURVIPOHNZCY-UHFFFAOYSA-N 1 0 252.339 2.316 20 5 CEBDRO C[C@@H](CN)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949173 278250756 /nfs/dbraw/zinc/25/07/56/278250756.db2.gz YZOYHZFTDLFZRD-SGMGOOAPSA-N 1 0 277.368 2.243 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177002 278354550 /nfs/dbraw/zinc/35/45/50/278354550.db2.gz ZLTXUHOMVFKIGR-ZWNOBZJWSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135217226 278632863 /nfs/dbraw/zinc/63/28/63/278632863.db2.gz BQDCFPPVDWDVPL-FZMZJTMJSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286325666 279016022 /nfs/dbraw/zinc/01/60/22/279016022.db2.gz HOAFFEAPOHTPAU-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344417541 279452395 /nfs/dbraw/zinc/45/23/95/279452395.db2.gz FECGNRMJUFVQCA-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000246093821 280273430 /nfs/dbraw/zinc/27/34/30/280273430.db2.gz ABIWYEGHDHUWIP-FRRDWIJNSA-N 1 0 278.356 2.444 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063192824 280323582 /nfs/dbraw/zinc/32/35/82/280323582.db2.gz BLUVAXKSRMMGRO-BXUZGUMPSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063192825 280323939 /nfs/dbraw/zinc/32/39/39/280323939.db2.gz BLUVAXKSRMMGRO-RISCZKNCSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000178208311 281010523 /nfs/dbraw/zinc/01/05/23/281010523.db2.gz VGOKXRWZQSWCBB-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354009191 281016614 /nfs/dbraw/zinc/01/66/14/281016614.db2.gz UPTCKYHRHXNVMP-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437570 281041791 /nfs/dbraw/zinc/04/17/91/281041791.db2.gz GGDUSTDKXYQUTG-VWYCJHECSA-N 1 0 281.356 2.380 20 5 CEBDRO Cc1cccc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000275459145 281226570 /nfs/dbraw/zinc/22/65/70/281226570.db2.gz MOPDOXLZUXOGJD-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)cn1 ZINC000444865379 281653053 /nfs/dbraw/zinc/65/30/53/281653053.db2.gz NFCQDDMYBDYYDH-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])C(C)C)c1 ZINC000155938042 289185418 /nfs/dbraw/zinc/18/54/18/289185418.db2.gz FRPIAFVLJUIHGF-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000159220743 289249116 /nfs/dbraw/zinc/24/91/16/289249116.db2.gz UWQBRXRPHRDJSC-MNOVXSKESA-N 1 0 250.298 2.219 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000168721623 289782255 /nfs/dbraw/zinc/78/22/55/289782255.db2.gz GFEHAOBCYKLZAW-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242794 290055788 /nfs/dbraw/zinc/05/57/88/290055788.db2.gz BRHSFPZLXXZJCQ-CWSCBRNRSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000487517208 290350275 /nfs/dbraw/zinc/35/02/75/290350275.db2.gz HOJZTBUNGPTIGV-BXLSQVKPSA-N 1 0 275.352 2.290 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000487663429 290357951 /nfs/dbraw/zinc/35/79/51/290357951.db2.gz HMLYIQJAKOTHJZ-PWSUYJOCSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000514798368 297553735 /nfs/dbraw/zinc/55/37/35/297553735.db2.gz NXMQZFQLWVLUEW-GHMZBOCLSA-N 1 0 297.330 2.028 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269765 297644558 /nfs/dbraw/zinc/64/45/58/297644558.db2.gz DXVGFDIITWFZHA-MRVWCRGKSA-N 1 0 276.336 2.331 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159157 298263582 /nfs/dbraw/zinc/26/35/82/298263582.db2.gz XTBVZENXUUPBCC-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000541594912 298280959 /nfs/dbraw/zinc/28/09/59/298280959.db2.gz LUNWBRPLRNGIAI-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO CN(C(=O)C[NH2+]C1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000542524042 298291665 /nfs/dbraw/zinc/29/16/65/298291665.db2.gz HMLWXZQFRLBQFF-UHFFFAOYSA-N 1 0 289.335 2.090 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184311 298328866 /nfs/dbraw/zinc/32/88/66/298328866.db2.gz NXJPXLYINNWCGQ-WFASDCNBSA-N 1 0 294.351 2.359 20 5 CEBDRO COc1ccc(OCC[N@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548096450 298393354 /nfs/dbraw/zinc/39/33/54/298393354.db2.gz YINMJEGDBFRWSQ-PHIMTYICSA-N 1 0 280.324 2.465 20 5 CEBDRO Cn1cc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000563418780 298775312 /nfs/dbraw/zinc/77/53/12/298775312.db2.gz PRAKHRYGYGHXGZ-AWEZNQCLSA-N 1 0 286.335 2.148 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000564451214 313764861 /nfs/dbraw/zinc/76/48/61/313764861.db2.gz JMANOCQAEBEFIH-UWVGGRQHSA-N 1 0 290.323 2.280 20 5 CEBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581176 314097817 /nfs/dbraw/zinc/09/78/17/314097817.db2.gz JMBSJKRDZYXYRX-ZFWWWQNUSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C1CCC1 ZINC000576886378 314320538 /nfs/dbraw/zinc/32/05/38/314320538.db2.gz KIUCKSMYSYETIQ-UKRRQHHQSA-N 1 0 276.336 2.333 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000382485740 321840351 /nfs/dbraw/zinc/84/03/51/321840351.db2.gz ZIZRXAKOHSVJQN-SFYZADRCSA-N 1 0 270.720 2.325 20 5 CEBDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567712 321841995 /nfs/dbraw/zinc/84/19/95/321841995.db2.gz OTLJURANKVEYHR-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO C[NH2+]CCSCc1cc([N+](=O)[O-])ccc1OC ZINC000382647463 321842940 /nfs/dbraw/zinc/84/29/40/321842940.db2.gz OIQYTYCVFXKFCJ-UHFFFAOYSA-N 1 0 256.327 2.056 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081463 322368464 /nfs/dbraw/zinc/36/84/64/322368464.db2.gz BAQXZPSPUHPILZ-ZWNOBZJWSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000583131863 322526539 /nfs/dbraw/zinc/52/65/39/322526539.db2.gz YVXABOZRBQKGHU-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C[NH2+]1 ZINC000584520290 329509953 /nfs/dbraw/zinc/50/99/53/329509953.db2.gz NVWAGKJCTJUFRA-GHMZBOCLSA-N 1 0 286.335 2.330 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736653 520067612 /nfs/dbraw/zinc/06/76/12/520067612.db2.gz LLNCDYGTCMSALR-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415420017 533976323 /nfs/dbraw/zinc/97/63/23/533976323.db2.gz RUHUAYAPJBUBHN-AWEZNQCLSA-N 1 0 292.339 2.152 20 5 CEBDRO CC(=O)NC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050991769 519647108 /nfs/dbraw/zinc/64/71/08/519647108.db2.gz QPRVBWRRZZBKFP-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156715891 519796274 /nfs/dbraw/zinc/79/62/74/519796274.db2.gz HRNNAOCTCITGFT-ZDUSSCGKSA-N 1 0 294.355 2.432 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150254865 521191055 /nfs/dbraw/zinc/19/10/55/521191055.db2.gz ICDYPIUAKFWBSM-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412024900 534579415 /nfs/dbraw/zinc/57/94/15/534579415.db2.gz GCNHKHLYYFPSMH-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000048391312 522520845 /nfs/dbraw/zinc/52/08/45/522520845.db2.gz VFKIZQFLRLOHIH-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000363451728 527386473 /nfs/dbraw/zinc/38/64/73/527386473.db2.gz WWONRQGRBGWIGS-ZIAGYGMSSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCC(F)(F)F)c1 ZINC000055385947 527386961 /nfs/dbraw/zinc/38/69/61/527386961.db2.gz SMECFKFOTXDQMG-UHFFFAOYSA-N 1 0 278.230 2.263 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350729 527711935 /nfs/dbraw/zinc/71/19/35/527711935.db2.gz USUPCKPAWKXBCN-RYUDHWBXSA-N 1 0 293.367 2.029 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500469 574596984 /nfs/dbraw/zinc/59/69/84/574596984.db2.gz HDMAIQOMHHPBPF-ZDUSSCGKSA-N 1 0 297.330 2.050 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733165444 574647030 /nfs/dbraw/zinc/64/70/30/574647030.db2.gz JIHQCRKZQDOGGB-ZDUSSCGKSA-N 1 0 293.367 2.219 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749679078 575229117 /nfs/dbraw/zinc/22/91/17/575229117.db2.gz USOPCEUYZCGUBD-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO C[N@H+](CCOC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750091432 575246638 /nfs/dbraw/zinc/24/66/38/575246638.db2.gz KLSKEOXRZIHFFG-AWEZNQCLSA-N 1 0 296.367 2.375 20 5 CEBDRO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000751928594 575301509 /nfs/dbraw/zinc/30/15/09/575301509.db2.gz NFJBDQUMLKNSLI-PHIMTYICSA-N 1 0 274.324 2.490 20 5 CEBDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000753568919 575330306 /nfs/dbraw/zinc/33/03/06/575330306.db2.gz VIRHDXJWXNTIEA-UHFFFAOYSA-N 1 0 298.302 2.467 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000890885290 623041743 /nfs/dbraw/zinc/04/17/43/623041743.db2.gz CGXOMRMYHAUHTO-UHFFFAOYSA-N 1 0 293.367 2.255 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050372639 623404022 /nfs/dbraw/zinc/40/40/22/623404022.db2.gz BLNWYFLFZXTAPX-KGLIPLIRSA-N 1 0 280.324 2.131 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000891450170 623706361 /nfs/dbraw/zinc/70/63/61/623706361.db2.gz KPZHNTPVPXEQKY-LBPRGKRZSA-N 1 0 289.339 2.043 20 5 CEBDRO CC(C)(C)OCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000308510263 623831822 /nfs/dbraw/zinc/83/18/22/623831822.db2.gz DJGRYYGMONZTDD-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933744153 623989903 /nfs/dbraw/zinc/98/99/03/623989903.db2.gz LQSAPXUYJSXXOA-DOMZBBRYSA-N 1 0 293.342 2.117 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000934112663 624233869 /nfs/dbraw/zinc/23/38/69/624233869.db2.gz VCDKTRVRKCUZCF-CHWSQXEVSA-N 1 0 250.298 2.204 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124017 624246625 /nfs/dbraw/zinc/24/66/25/624246625.db2.gz GSDDEWIFNKPZPE-OLZOCXBDSA-N 1 0 250.298 2.204 20 5 CEBDRO CCOC(=O)CCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000050067266 624594632 /nfs/dbraw/zinc/59/46/32/624594632.db2.gz MABFDRSSWOASSW-UHFFFAOYSA-N 1 0 284.287 2.119 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000181077215 627368485 /nfs/dbraw/zinc/36/84/85/627368485.db2.gz ARKRBTZXKZOHEN-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000930681854 628219023 /nfs/dbraw/zinc/21/90/23/628219023.db2.gz RAQZEYRSYRBZKH-CQSZACIVSA-N 1 0 278.352 2.147 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000053202285 628250703 /nfs/dbraw/zinc/25/07/03/628250703.db2.gz UWXDUVPRFKTDPR-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCON ZINC000902419702 634644234 /nfs/dbraw/zinc/64/42/34/634644234.db2.gz SIKVEQIYZMMORP-LLVKDONJSA-N 1 0 299.396 2.336 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000931036221 628338405 /nfs/dbraw/zinc/33/84/05/628338405.db2.gz DHJAPMPLKFCVQA-AAEUAGOBSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430081 634651848 /nfs/dbraw/zinc/65/18/48/634651848.db2.gz OEYZXAYOYYBSAR-BZPMIXESSA-N 1 0 277.368 2.428 20 5 CEBDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000931590598 628706235 /nfs/dbraw/zinc/70/62/35/628706235.db2.gz CRPLTSBICGGOHD-LLVKDONJSA-N 1 0 298.412 2.255 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CCC2 ZINC000902465159 634683165 /nfs/dbraw/zinc/68/31/65/634683165.db2.gz FHENVOPBPRGVCT-DANNLKNASA-N 1 0 287.363 2.455 20 5 CEBDRO C[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000902482449 634699483 /nfs/dbraw/zinc/69/94/83/634699483.db2.gz LFVURQYTPAMUBR-YPMHNXCESA-N 1 0 292.383 2.360 20 5 CEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103974 629133102 /nfs/dbraw/zinc/13/31/02/629133102.db2.gz VFGOEQBCNUZYNW-VIFPVBQESA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1ncoc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000894241091 629247845 /nfs/dbraw/zinc/24/78/45/629247845.db2.gz GOBGQRFPULGGAD-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO CCC(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000795106160 629441191 /nfs/dbraw/zinc/44/11/91/629441191.db2.gz UOXFANAWYFSKJR-UHFFFAOYSA-N 1 0 279.340 2.185 20 5 CEBDRO CCC[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058160 629831362 /nfs/dbraw/zinc/83/13/62/629831362.db2.gz IKKFJIAMUDTZOF-SECBINFHSA-N 1 0 255.343 2.235 20 5 CEBDRO C[C@H](C[NH2+]Cc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000902673780 634770739 /nfs/dbraw/zinc/77/07/39/634770739.db2.gz IHONWURTLXSNGY-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000895100269 629895633 /nfs/dbraw/zinc/89/56/33/629895633.db2.gz SXZUYKGBWQVTDU-TXEJJXNPSA-N 1 0 278.356 2.217 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000797519012 630271254 /nfs/dbraw/zinc/27/12/54/630271254.db2.gz RFRFVYBENZOIMH-UHFFFAOYSA-N 1 0 296.323 2.035 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000896127227 630474589 /nfs/dbraw/zinc/47/45/89/630474589.db2.gz RBZYHPLQXLIEFL-NEPJUHHUSA-N 1 0 278.308 2.026 20 5 CEBDRO CC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985185680 630889590 /nfs/dbraw/zinc/88/95/90/630889590.db2.gz VJARJWVPGRSFJA-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1Cl ZINC000897357855 631183341 /nfs/dbraw/zinc/18/33/41/631183341.db2.gz NZPBGNHKEXPKPI-MGCOHNPYSA-N 1 0 270.716 2.109 20 5 CEBDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546300 631286572 /nfs/dbraw/zinc/28/65/72/631286572.db2.gz JBJGTNGTOZVJHX-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545001 631286796 /nfs/dbraw/zinc/28/67/96/631286796.db2.gz XVMHEACBFQRXJH-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cncnc1)c1ccccc1[N+](=O)[O-] ZINC000897469640 631537438 /nfs/dbraw/zinc/53/74/38/631537438.db2.gz NVWNLEZYCRKQCL-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CC(C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000054111063 631674958 /nfs/dbraw/zinc/67/49/58/631674958.db2.gz XRYGSQATBRXSBN-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989833956 632248683 /nfs/dbraw/zinc/24/86/83/632248683.db2.gz JVHJRLUUOSAZRW-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[N@H+](CCCCNc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000840316414 632819969 /nfs/dbraw/zinc/81/99/69/632819969.db2.gz PMYAOENVXXOXNB-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583942 633034487 /nfs/dbraw/zinc/03/44/87/633034487.db2.gz RNYLMDXKFDUWEZ-MDZLAQPJSA-N 1 0 292.383 2.310 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606918 633037747 /nfs/dbraw/zinc/03/77/47/633037747.db2.gz KLOABJZQZUQZRU-SNVBAGLBSA-N 1 0 279.340 2.397 20 5 CEBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])ccc1OCCC(C)C ZINC000899871096 633063210 /nfs/dbraw/zinc/06/32/10/633063210.db2.gz NYSLBMAYMACMOC-UHFFFAOYSA-N 1 0 296.367 2.486 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000817131626 633590690 /nfs/dbraw/zinc/59/06/90/633590690.db2.gz HSKXJOSBNQVTGT-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO CSCCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819083737 634063814 /nfs/dbraw/zinc/06/38/14/634063814.db2.gz DVDIZFXLDJENMU-CYBMUJFWSA-N 1 0 284.381 2.361 20 5 CEBDRO CN(CCC[NH3+])Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393694 634088072 /nfs/dbraw/zinc/08/80/72/634088072.db2.gz BFRFXGFVQJHZJY-UHFFFAOYSA-N 1 0 290.323 2.030 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000819190425 634098884 /nfs/dbraw/zinc/09/88/84/634098884.db2.gz JIIKPHSZHVBZDB-MRXNPFEDSA-N 1 0 286.331 2.461 20 5 CEBDRO Cc1cnccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819248355 634116766 /nfs/dbraw/zinc/11/67/66/634116766.db2.gz XTQYUFVRCHMXMX-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819287282 634129141 /nfs/dbraw/zinc/12/91/41/634129141.db2.gz UHSFCBFQVGZQFC-OASPWFOLSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000819314368 634136359 /nfs/dbraw/zinc/13/63/59/634136359.db2.gz YURAFQZOVGVLDM-BXUZGUMPSA-N 1 0 296.392 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000819356554 634151653 /nfs/dbraw/zinc/15/16/53/634151653.db2.gz GOYAOBGRVAAUHZ-QEJZJMRPSA-N 1 0 276.336 2.264 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000819930265 634287873 /nfs/dbraw/zinc/28/78/73/634287873.db2.gz BVYXVZJCBOTFKO-UHFFFAOYSA-N 1 0 292.383 2.489 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCn2ccnc2)cc([N+](=O)[O-])c1 ZINC000903057076 634949135 /nfs/dbraw/zinc/94/91/35/634949135.db2.gz BCAAFESQDCVPJV-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903076313 634958279 /nfs/dbraw/zinc/95/82/79/634958279.db2.gz NDUUUXOMBTYJLD-MNOVXSKESA-N 1 0 280.324 2.291 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903092074 634974504 /nfs/dbraw/zinc/97/45/04/634974504.db2.gz GVYSLDDYKCALIW-HZMBPMFUSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1c(Cc2noc([C@H](C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822861238 635014076 /nfs/dbraw/zinc/01/40/76/635014076.db2.gz BLZGUMMVBSYKEJ-PSASIEDQSA-N 1 0 290.323 2.328 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000903321393 635054710 /nfs/dbraw/zinc/05/47/10/635054710.db2.gz DEMGVSABVVCHIC-VXGBXAGGSA-N 1 0 263.341 2.258 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000903411734 635105603 /nfs/dbraw/zinc/10/56/03/635105603.db2.gz QTWSRDIFBAJPDW-HZMBPMFUSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824081245 635342214 /nfs/dbraw/zinc/34/22/14/635342214.db2.gz UHXBVUXSTOSTDG-CFVMTHIKSA-N 1 0 294.351 2.175 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000904110009 635452086 /nfs/dbraw/zinc/45/20/86/635452086.db2.gz KBYCPDBBZXGYAU-ZETCQYMHSA-N 1 0 294.336 2.419 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000904689366 635699758 /nfs/dbraw/zinc/69/97/58/635699758.db2.gz JOCDPRXYQWIOEH-HTQZYQBOSA-N 1 0 294.336 2.104 20 5 CEBDRO O=[N+]([O-])CCNCc1ccccc1C[NH+]1CCCCC1 ZINC000905025542 635792641 /nfs/dbraw/zinc/79/26/41/635792641.db2.gz LMWXAUVNZMRXIH-UHFFFAOYSA-N 1 0 277.368 2.039 20 5 CEBDRO O=[N+]([O-])CCNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000905262843 636181713 /nfs/dbraw/zinc/18/17/13/636181713.db2.gz KGJHPJXNDCOIQJ-MRXNPFEDSA-N 1 0 291.395 2.155 20 5 CEBDRO O=[N+]([O-])c1ncccc1CSCC1CC[NH2+]CC1 ZINC000905735479 636423474 /nfs/dbraw/zinc/42/34/74/636423474.db2.gz SLFYVZPIEZBAQL-UHFFFAOYSA-N 1 0 267.354 2.223 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CC1 ZINC000827903585 636456130 /nfs/dbraw/zinc/45/61/30/636456130.db2.gz KYRVAPDRZCFOOB-UHFFFAOYSA-N 1 0 270.716 2.205 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000830172716 636999234 /nfs/dbraw/zinc/99/92/34/636999234.db2.gz HBTGOHVTVZUAIC-GXFFZTMASA-N 1 0 290.319 2.341 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000876530681 650307246 /nfs/dbraw/zinc/30/72/46/650307246.db2.gz PODVFUYBNXZQSY-GHMZBOCLSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876545828 650316229 /nfs/dbraw/zinc/31/62/29/650316229.db2.gz VKIZIQRWWZUGBZ-CMPLNLGQSA-N 1 0 277.324 2.215 20 5 CEBDRO [NH3+]CCCCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217704 637256525 /nfs/dbraw/zinc/25/65/25/637256525.db2.gz HQWNWQGXKQGTTA-UHFFFAOYSA-N 1 0 299.758 2.384 20 5 CEBDRO COc1ccc(C[NH2+]C2[C@H](C)COC[C@H]2C)cc1[N+](=O)[O-] ZINC000924841077 638326744 /nfs/dbraw/zinc/32/67/44/638326744.db2.gz ICFYUJLOWTZZRU-GHMZBOCLSA-N 1 0 294.351 2.364 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911826220 638425113 /nfs/dbraw/zinc/42/51/13/638425113.db2.gz MWIZLZBNECBLDF-LLVKDONJSA-N 1 0 297.380 2.030 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+](C)C)cc1Cl ZINC000836735979 638696612 /nfs/dbraw/zinc/69/66/12/638696612.db2.gz STABRZYMIYLZCA-UHFFFAOYSA-N 1 0 299.758 2.190 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912594579 638737205 /nfs/dbraw/zinc/73/72/05/638737205.db2.gz VFDRIFHVHMQBAG-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000223900869 639437644 /nfs/dbraw/zinc/43/76/44/639437644.db2.gz UQJVSIMAUGFPEK-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841010232 639616448 /nfs/dbraw/zinc/61/64/48/639616448.db2.gz DHDZHNPISOBRIV-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000841010559 639617185 /nfs/dbraw/zinc/61/71/85/639617185.db2.gz GALDGXOZHDLYSO-UHFFFAOYSA-N 1 0 298.730 2.075 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841024201 639620110 /nfs/dbraw/zinc/62/01/10/639620110.db2.gz KSWNDGYPBGYAJD-KWQFWETISA-N 1 0 269.732 2.170 20 5 CEBDRO Cc1cc(-c2nc(C3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1 ZINC000228559698 639644278 /nfs/dbraw/zinc/64/42/78/639644278.db2.gz XTLQTGLQTAXZIU-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1(C)CC1 ZINC000876976638 650515538 /nfs/dbraw/zinc/51/55/38/650515538.db2.gz NMKDXWWJKHBQTP-WHXUTIOJSA-N 1 0 264.329 2.273 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171945770 639737509 /nfs/dbraw/zinc/73/75/09/639737509.db2.gz SYXJOFCBFVJVNZ-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000063169175 639837851 /nfs/dbraw/zinc/83/78/51/639837851.db2.gz WDZKZOYGYPMETN-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC[N+](=O)[O-])C1 ZINC000929724270 640034408 /nfs/dbraw/zinc/03/44/08/640034408.db2.gz YWVCQKQGNBTWCG-GWCFXTLKSA-N 1 0 252.289 2.485 20 5 CEBDRO Cc1sc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000914046520 640204143 /nfs/dbraw/zinc/20/41/43/640204143.db2.gz NQSYLFIFTHQRCI-UHFFFAOYSA-N 1 0 272.326 2.073 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930571 640222425 /nfs/dbraw/zinc/22/24/25/640222425.db2.gz YQYRNQDFCSXOOY-YWVKMMECSA-N 1 0 265.313 2.005 20 5 CEBDRO C[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843049141 640253400 /nfs/dbraw/zinc/25/34/00/640253400.db2.gz GKFBEHZMVZKXQW-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843178791 640330082 /nfs/dbraw/zinc/33/00/82/640330082.db2.gz KSDZUVPJDJUOJW-LLVKDONJSA-N 1 0 288.307 2.248 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877104912 650574529 /nfs/dbraw/zinc/57/45/29/650574529.db2.gz GAHVCXFGIPTHJD-JTQLQIEISA-N 1 0 287.319 2.167 20 5 CEBDRO Cc1c(C(=O)N[C@H](C[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000915622875 640593969 /nfs/dbraw/zinc/59/39/69/640593969.db2.gz DMYFMCJOCNCPEV-CYBMUJFWSA-N 1 0 293.367 2.219 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000070076060 641628843 /nfs/dbraw/zinc/62/88/43/641628843.db2.gz MSUIBFDIPVKHMV-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000071304832 641741493 /nfs/dbraw/zinc/74/14/93/641741493.db2.gz WFHLKEWNJLGTTM-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CCO)C1CC1 ZINC000848534224 642038920 /nfs/dbraw/zinc/03/89/20/642038920.db2.gz QAIGUGPERSULAV-KBPBESRZSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877459339 650727724 /nfs/dbraw/zinc/72/77/24/650727724.db2.gz HZRJYQXXWTWYQI-QKEWWQLBSA-N 1 0 264.329 2.273 20 5 CEBDRO CC/C=C\C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877563961 650791853 /nfs/dbraw/zinc/79/18/53/650791853.db2.gz SIEVDNCEESQZSH-ARJAWSKDSA-N 1 0 250.302 2.051 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922643969 643175672 /nfs/dbraw/zinc/17/56/72/643175672.db2.gz YCRCYOKNASCBPT-YJLKIPLNSA-N 1 0 262.309 2.233 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851927143 643228389 /nfs/dbraw/zinc/22/83/89/643228389.db2.gz GKAORQOZWSYVHK-GFCCVEGCSA-N 1 0 296.298 2.165 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939272 643461209 /nfs/dbraw/zinc/46/12/09/643461209.db2.gz NFMYQYXVXBVQAO-PKXJPQMGSA-N 1 0 292.335 2.003 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000852583562 643481399 /nfs/dbraw/zinc/48/13/99/643481399.db2.gz YDGOABCGTIHWOS-OLZOCXBDSA-N 1 0 280.299 2.127 20 5 CEBDRO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877707439 650863751 /nfs/dbraw/zinc/86/37/51/650863751.db2.gz SWRNQGZCYNYJNR-HNNXBMFYSA-N 1 0 292.335 2.416 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)n2)c1 ZINC000853579858 643821282 /nfs/dbraw/zinc/82/12/82/643821282.db2.gz NLFCPGTZGSUSEE-DGCLKSJQSA-N 1 0 299.334 2.153 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741238 650884197 /nfs/dbraw/zinc/88/41/97/650884197.db2.gz ACWQKXYWGYKCLR-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000877752464 650896280 /nfs/dbraw/zinc/89/62/80/650896280.db2.gz RPOJTUCSMOUJJM-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855414290 644336625 /nfs/dbraw/zinc/33/66/25/644336625.db2.gz YGLBDBBNGAWQBS-OJIASSBASA-N 1 0 291.351 2.064 20 5 CEBDRO CC[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000755926323 644584103 /nfs/dbraw/zinc/58/41/03/644584103.db2.gz XASLOTCEIDXRQP-LLVKDONJSA-N 1 0 289.339 2.337 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000757910665 644856102 /nfs/dbraw/zinc/85/61/02/644856102.db2.gz PDZTWUBVGLGDIR-STQMWFEESA-N 1 0 291.351 2.037 20 5 CEBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858104467 645061838 /nfs/dbraw/zinc/06/18/38/645061838.db2.gz LVCXQPDLAMAURU-UHFFFAOYSA-N 1 0 287.319 2.039 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C)C1 ZINC000761076960 645232334 /nfs/dbraw/zinc/23/23/34/645232334.db2.gz QKBDRECHZISNKW-RYUDHWBXSA-N 1 0 263.341 2.292 20 5 CEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000761081114 645233489 /nfs/dbraw/zinc/23/34/89/645233489.db2.gz FODDEFUKUHRQIL-SMDDNHRTSA-N 1 0 289.335 2.326 20 5 CEBDRO Cn1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761520747 645293538 /nfs/dbraw/zinc/29/35/38/645293538.db2.gz FIRYTYHNZJBAOG-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)CC1(C)C ZINC000878159462 651018522 /nfs/dbraw/zinc/01/85/22/651018522.db2.gz XRTFPTQOJQIXOH-JTQLQIEISA-N 1 0 266.345 2.220 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765335227 645757813 /nfs/dbraw/zinc/75/78/13/645757813.db2.gz UAIJIKOBHFDZGU-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)n1 ZINC000765480101 645774653 /nfs/dbraw/zinc/77/46/53/645774653.db2.gz FAVCOOASCPBDHY-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000765770590 645806803 /nfs/dbraw/zinc/80/68/03/645806803.db2.gz NQCKTVYHECFTLH-VXGBXAGGSA-N 1 0 263.341 2.258 20 5 CEBDRO Cc1ccc(C[N@@H+](C)C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000878304173 651059842 /nfs/dbraw/zinc/05/98/42/651059842.db2.gz JGHUCKDHQIUIHJ-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000862367086 646418225 /nfs/dbraw/zinc/41/82/25/646418225.db2.gz VMCKSFBSANPEOX-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000863660551 646783144 /nfs/dbraw/zinc/78/31/44/646783144.db2.gz CTUZZTGCVLHIPB-SNVBAGLBSA-N 1 0 286.291 2.458 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000863921772 646851476 /nfs/dbraw/zinc/85/14/76/646851476.db2.gz HFSJABNZDWUJFQ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO C[N@@H+](Cc1ccoc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280078 647045074 /nfs/dbraw/zinc/04/50/74/647045074.db2.gz ZJNOIADTPCDHKL-CQSZACIVSA-N 1 0 276.292 2.353 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839928 647487031 /nfs/dbraw/zinc/48/70/31/647487031.db2.gz YETWYVYEWYFIHG-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000866216101 647676158 /nfs/dbraw/zinc/67/61/58/647676158.db2.gz PUBINSCCTNQVDQ-GFCCVEGCSA-N 1 0 295.358 2.350 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000866258427 647699263 /nfs/dbraw/zinc/69/92/63/647699263.db2.gz WFPDMZIPVVBSPU-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000866259947 647699961 /nfs/dbraw/zinc/69/99/61/647699961.db2.gz RCGNRVQYUSNYLZ-MNOVXSKESA-N 1 0 283.347 2.205 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000866262189 647701749 /nfs/dbraw/zinc/70/17/49/647701749.db2.gz LCWJGJMOBQPQQA-SECBINFHSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000866308737 647728999 /nfs/dbraw/zinc/72/89/99/647728999.db2.gz FVVXLLIHGZRGNO-SKDRFNHKSA-N 1 0 268.288 2.043 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783642419 647742508 /nfs/dbraw/zinc/74/25/08/647742508.db2.gz YSGWTFVTDALPEA-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCO ZINC000866348765 647749518 /nfs/dbraw/zinc/74/95/18/647749518.db2.gz DYBPMFWVTXVGBQ-SNVBAGLBSA-N 1 0 270.304 2.027 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000866699846 647873429 /nfs/dbraw/zinc/87/34/29/647873429.db2.gz ORXCUZYZTCRSIN-UHFFFAOYSA-N 1 0 269.370 2.230 20 5 CEBDRO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610797 648207060 /nfs/dbraw/zinc/20/70/60/648207060.db2.gz JLEUCGRGLQWGJA-NEPJUHHUSA-N 1 0 292.383 2.312 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000789940822 648360528 /nfs/dbraw/zinc/36/05/28/648360528.db2.gz DFLNSRCVTCWUKQ-UHFFFAOYSA-N 1 0 295.339 2.135 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000791754973 648563568 /nfs/dbraw/zinc/56/35/68/648563568.db2.gz PKXHZRLAASQNMR-UHFFFAOYSA-N 1 0 291.307 2.185 20 5 CEBDRO COc1cc(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000792171300 648619246 /nfs/dbraw/zinc/61/92/46/648619246.db2.gz MWYHISWHAUJWHG-UHFFFAOYSA-N 1 0 296.323 2.020 20 5 CEBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000793394769 648749871 /nfs/dbraw/zinc/74/98/71/648749871.db2.gz KNSDSGQSFDNQEP-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869105 648938076 /nfs/dbraw/zinc/93/80/76/648938076.db2.gz AJBKWJOXOMSKCQ-WZRBSPASSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037167 649249519 /nfs/dbraw/zinc/24/95/19/649249519.db2.gz BNGRUHPHOXCJMO-UWVGGRQHSA-N 1 0 295.314 2.005 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872126174 649285154 /nfs/dbraw/zinc/28/51/54/649285154.db2.gz JCMYZFOEJAPLFB-OPRDCNLKSA-N 1 0 268.288 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000872312055 649353296 /nfs/dbraw/zinc/35/32/96/649353296.db2.gz MDDUINCGFMQZOM-CABCVRRESA-N 1 0 292.335 2.275 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316262 649354681 /nfs/dbraw/zinc/35/46/81/649354681.db2.gz IMXQWUUIGDRZNW-CABCVRRESA-N 1 0 292.335 2.405 20 5 CEBDRO Cc1cc(NC[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872719450 649467787 /nfs/dbraw/zinc/46/77/87/649467787.db2.gz ULZRVYIDMSUDLZ-UMSPYCQHSA-N 1 0 287.319 2.056 20 5 CEBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058575 649546280 /nfs/dbraw/zinc/54/62/80/649546280.db2.gz QQBBSNSSQUMRQT-RISCZKNCSA-N 1 0 298.408 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000873113221 649559591 /nfs/dbraw/zinc/55/95/91/649559591.db2.gz UVKJMJCKCSHXIV-QWHCGFSZSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(C)(C)O ZINC000873108223 649559693 /nfs/dbraw/zinc/55/96/93/649559693.db2.gz FUXARLDADATTLS-UHFFFAOYSA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000873109550 649559885 /nfs/dbraw/zinc/55/98/85/649559885.db2.gz XIZOPDLHYLNMOT-ZIAGYGMSSA-N 1 0 278.352 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000873130146 649565140 /nfs/dbraw/zinc/56/51/40/649565140.db2.gz ZGGHJOZMOUQAOL-OAHLLOKOSA-N 1 0 278.352 2.462 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230165 649601612 /nfs/dbraw/zinc/60/16/12/649601612.db2.gz NBCIVWMFEXMMAM-HZYFSWNCSA-N 1 0 287.363 2.482 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000873299218 649633162 /nfs/dbraw/zinc/63/31/62/649633162.db2.gz OZMJGOHSOQYJAR-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317195 651282972 /nfs/dbraw/zinc/28/29/72/651282972.db2.gz CCFORZKCKUOOOA-IUODEOHRSA-N 1 0 294.351 2.473 20 5 CEBDRO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000879438061 651304173 /nfs/dbraw/zinc/30/41/73/651304173.db2.gz DZQSEMZRNSEYCN-OAHLLOKOSA-N 1 0 292.335 2.416 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000879583047 651327437 /nfs/dbraw/zinc/32/74/37/651327437.db2.gz VGRRXLMCLXRJAQ-JSGCOSHPSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000880130058 651387376 /nfs/dbraw/zinc/38/73/76/651387376.db2.gz BUMAOFYDNGPKSO-LSDHHAIUSA-N 1 0 293.342 2.402 20 5 CEBDRO CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000129156143 651834190 /nfs/dbraw/zinc/83/41/90/651834190.db2.gz MZQBUTICXNATQN-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881875509 651904507 /nfs/dbraw/zinc/90/45/07/651904507.db2.gz ZBDQVUGSNNHYLJ-SNVBAGLBSA-N 1 0 282.319 2.096 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130918482 652355439 /nfs/dbraw/zinc/35/54/39/652355439.db2.gz KNEQCELWNOAAOB-YPMLDQLKSA-N 1 0 270.354 2.014 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883358031 652441620 /nfs/dbraw/zinc/44/16/20/652441620.db2.gz ATAKKDJZYXKGKT-CYBMUJFWSA-N 1 0 277.368 2.395 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CCC23CCC3)cs1 ZINC000883458370 652476728 /nfs/dbraw/zinc/47/67/28/652476728.db2.gz HEMMNMPPKIBPTL-UHFFFAOYSA-N 1 0 281.381 2.374 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000884078858 652697609 /nfs/dbraw/zinc/69/76/09/652697609.db2.gz ZBPXXPVQFJBNLZ-RISCZKNCSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000884078697 652697719 /nfs/dbraw/zinc/69/77/19/652697719.db2.gz SVRRCQZHKFOEIN-GXFFZTMASA-N 1 0 291.351 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccoc2)cc1 ZINC000134486158 652846961 /nfs/dbraw/zinc/84/69/61/652846961.db2.gz YASGDBDUJPPLCL-UHFFFAOYSA-N 1 0 262.265 2.356 20 5 CEBDRO CC[S@](=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134736522 652869949 /nfs/dbraw/zinc/86/99/49/652869949.db2.gz NOTTWWQRZZDHAI-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1COCCO1 ZINC001168267784 806503559 /nfs/dbraw/zinc/50/35/59/806503559.db2.gz RGPBYTQZPIMMLU-HNNXBMFYSA-N 1 0 279.404 2.110 20 5 CEBDRO Cc1c(C[NH2+]CCOC(C)C)cccc1[N+](=O)[O-] ZINC000160195799 806858966 /nfs/dbraw/zinc/85/89/66/806858966.db2.gz JESSTXGSTXYOHK-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO CCOC(=O)[C@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224619618 806868633 /nfs/dbraw/zinc/86/86/33/806868633.db2.gz PXHVYFJRCHWORD-OAHLLOKOSA-N 1 0 280.388 2.404 20 5 CEBDRO C[N+](C)(C)CCOC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001224773527 806950600 /nfs/dbraw/zinc/95/06/00/806950600.db2.gz JDVAOJVDBAYIEA-HNNXBMFYSA-N 1 0 277.388 2.293 20 5 CEBDRO CCCCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001266643221 802809408 /nfs/dbraw/zinc/80/94/08/802809408.db2.gz UBKZLBHLPJQWBU-UHFFFAOYSA-N 1 0 299.396 2.395 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CC[NH3+] ZINC000723887570 802965096 /nfs/dbraw/zinc/96/50/96/802965096.db2.gz VFZUWNIKCKUEBG-GHMZBOCLSA-N 1 0 281.331 2.151 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cccc1C[NH3+] ZINC001167593135 803173374 /nfs/dbraw/zinc/17/33/74/803173374.db2.gz LMPCZCLEKBYGGK-UHFFFAOYSA-N 1 0 261.281 2.243 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000724877845 803329971 /nfs/dbraw/zinc/32/99/71/803329971.db2.gz AVGPOQZEOQZCMF-LERXQTSPSA-N 1 0 280.324 2.049 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC000724976935 803376763 /nfs/dbraw/zinc/37/67/63/803376763.db2.gz UPPLHBJCYXKEHZ-YDGIUTOCSA-N 1 0 282.727 2.251 20 5 CEBDRO Cc1c(NC(=N)SCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001167913480 803503655 /nfs/dbraw/zinc/50/36/55/803503655.db2.gz AXQCNYKDOXSGCC-UHFFFAOYSA-N 1 0 272.305 2.081 20 5 CEBDRO Cc1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217977179 803523148 /nfs/dbraw/zinc/52/31/48/803523148.db2.gz MPURQNLEBWOYOW-AAEUAGOBSA-N 1 0 268.288 2.372 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]CC3CC3)n2)cc1 ZINC000036884661 814943669 /nfs/dbraw/zinc/94/36/69/814943669.db2.gz NXZNLGFKAKFGPS-UHFFFAOYSA-N 1 0 274.280 2.144 20 5 CEBDRO [NH3+]CCc1ccn(-c2cc3cccnc3c3ncccc23)n1 ZINC001167731781 803695397 /nfs/dbraw/zinc/69/53/97/803695397.db2.gz WCILXFREPTXVNR-UHFFFAOYSA-N 1 0 289.342 2.470 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](CO)C1 ZINC000093297613 804072892 /nfs/dbraw/zinc/07/28/92/804072892.db2.gz AZAJLUCKIDYRHK-SNVBAGLBSA-N 1 0 284.743 2.453 20 5 CEBDRO COC(=O)c1cc(O[C@@H](C)C[N+](C)(C)C)ccc1C ZINC001225437617 804879096 /nfs/dbraw/zinc/87/90/96/804879096.db2.gz HZHCRFYVTNYIJV-LBPRGKRZSA-N 1 0 266.361 2.255 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000721788885 805419754 /nfs/dbraw/zinc/41/97/54/805419754.db2.gz OFWWJIVKUVVBRW-LLVKDONJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001119326596 815092577 /nfs/dbraw/zinc/09/25/77/815092577.db2.gz XNEVLKFLWKIBEO-IXPVHAAZSA-N 1 0 291.351 2.074 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716814595 815150073 /nfs/dbraw/zinc/15/00/73/815150073.db2.gz MQMMLCWKZDDFCA-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000699780859 807842236 /nfs/dbraw/zinc/84/22/36/807842236.db2.gz CMDQMAQEKHLSPT-UFBFGSQYSA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794301 807849206 /nfs/dbraw/zinc/84/92/06/807849206.db2.gz YMPGPCIHVYMPCT-LDYMZIIASA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000699831949 807866101 /nfs/dbraw/zinc/86/61/01/807866101.db2.gz AKJXLJCYBVFYNY-ZWNOBZJWSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(=O)CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001171499641 815183857 /nfs/dbraw/zinc/18/38/57/815183857.db2.gz SSRBZYVQKYGKSB-UHFFFAOYSA-N 1 0 277.324 2.368 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587228 808735225 /nfs/dbraw/zinc/73/52/25/808735225.db2.gz QQXNBEBYSWEEHD-MNOVXSKESA-N 1 0 252.318 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccnc2)cc1 ZINC001120600513 815244432 /nfs/dbraw/zinc/24/44/32/815244432.db2.gz YMYXGAZQKQMFIJ-XHSDSOJGSA-N 1 0 299.330 2.169 20 5 CEBDRO CC[C@H](C)C[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168689462 808975568 /nfs/dbraw/zinc/97/55/68/808975568.db2.gz HTHLNQCSZSHURG-UWVGGRQHSA-N 1 0 293.371 2.308 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000700608912 809331007 /nfs/dbraw/zinc/33/10/07/809331007.db2.gz OPQJYNJYAGBSEV-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO C[N@@H+]1CCC[C@](C)(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001162343001 809412778 /nfs/dbraw/zinc/41/27/78/809412778.db2.gz ZCWIOBOMPDQWGI-LBPRGKRZSA-N 1 0 268.292 2.025 20 5 CEBDRO CSC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000708316760 809926216 /nfs/dbraw/zinc/92/62/16/809926216.db2.gz MHVKAXIPKLPGHZ-UHFFFAOYSA-N 1 0 282.365 2.457 20 5 CEBDRO CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000709506529 809962747 /nfs/dbraw/zinc/96/27/47/809962747.db2.gz CTGBKRGUZBUKKW-JTQLQIEISA-N 1 0 270.304 2.325 20 5 CEBDRO [NH3+]Cc1nc(=O)[nH]n1-c1nc2ccccc2c2ccccc21 ZINC001168762061 810049185 /nfs/dbraw/zinc/04/91/85/810049185.db2.gz AJIRUEQAUYIORE-UHFFFAOYSA-N 1 0 291.314 2.133 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000092664906 810252886 /nfs/dbraw/zinc/25/28/86/810252886.db2.gz LVAZJXLSZXLCNU-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164071909 810281717 /nfs/dbraw/zinc/28/17/17/810281717.db2.gz VTNCSBSFCYTQIR-RKDXNWHRSA-N 1 0 284.747 2.207 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@]13CCOC3)CC2 ZINC001119434928 810475498 /nfs/dbraw/zinc/47/54/98/810475498.db2.gz JERXHFZQXWWOKR-GOEBONIOSA-N 1 0 288.347 2.380 20 5 CEBDRO [NH3+][C@H]1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156233608 811296246 /nfs/dbraw/zinc/29/62/46/811296246.db2.gz STLPGLSJCCCASA-QMMMGPOBSA-N 1 0 292.726 2.334 20 5 CEBDRO Cc1ccc2c(ccnc2-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168948697 811301147 /nfs/dbraw/zinc/30/11/47/811301147.db2.gz QUKXYFJJWHKJAR-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC001168977981 811307437 /nfs/dbraw/zinc/30/74/37/811307437.db2.gz NKGPDSKTJUZDOE-JMSVASOKSA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC001168977750 811307499 /nfs/dbraw/zinc/30/74/99/811307499.db2.gz LPDKKPYDOGHLOB-GXTWGEPZSA-N 1 0 263.341 2.049 20 5 CEBDRO [NH3+]CCc1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168979202 811308010 /nfs/dbraw/zinc/30/80/10/811308010.db2.gz XDVDYXGFYLVCTB-NWDGAFQWSA-N 1 0 288.351 2.155 20 5 CEBDRO COc1ccc(OC)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168958314 811312675 /nfs/dbraw/zinc/31/26/75/811312675.db2.gz MPXBZYSXTTWCQT-DGCLKSJQSA-N 1 0 294.351 2.239 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)nc1 ZINC001168966312 811318184 /nfs/dbraw/zinc/31/81/84/811318184.db2.gz HXQLEEHTDZYITR-PSASIEDQSA-N 1 0 282.731 2.095 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001168966945 811318239 /nfs/dbraw/zinc/31/82/39/811318239.db2.gz MIDCRCZBSMKMHJ-JOYOIKCWSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2ccc(F)cc2)C1 ZINC001168968838 811320651 /nfs/dbraw/zinc/32/06/51/811320651.db2.gz AOOGZZTXXPPYID-BYCMXARLSA-N 1 0 296.342 2.284 20 5 CEBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168974000 811321704 /nfs/dbraw/zinc/32/17/04/811321704.db2.gz PXFGLZSJFDALGJ-UWVGGRQHSA-N 1 0 262.300 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001168975599 811323556 /nfs/dbraw/zinc/32/35/56/811323556.db2.gz WOAQBPRAIBBZRD-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC001168992428 811325005 /nfs/dbraw/zinc/32/50/05/811325005.db2.gz JVBNCUVIOPMFDK-MLGOLLRUSA-N 1 0 274.364 2.436 20 5 CEBDRO Cc1cccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998186 811326598 /nfs/dbraw/zinc/32/65/98/811326598.db2.gz JGPDZJKZIDEFSK-VHDGCEQUSA-N 1 0 278.352 2.063 20 5 CEBDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168997556 811326964 /nfs/dbraw/zinc/32/69/64/811326964.db2.gz DHUMMSMFJZFZSI-VXGBXAGGSA-N 1 0 279.340 2.015 20 5 CEBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006920 811332585 /nfs/dbraw/zinc/33/25/85/811332585.db2.gz KFYJLXPFFUXVJF-RYUDHWBXSA-N 1 0 298.383 2.143 20 5 CEBDRO COCCc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168987476 811336830 /nfs/dbraw/zinc/33/68/30/811336830.db2.gz IYILSVFCJHXJQC-HOTGVXAUSA-N 1 0 292.379 2.411 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCCCCCCO)C1 ZINC001168988328 811337509 /nfs/dbraw/zinc/33/75/09/811337509.db2.gz QWUKFQVHDAUBQB-UONOGXRCSA-N 1 0 272.389 2.354 20 5 CEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988064 811338326 /nfs/dbraw/zinc/33/83/26/811338326.db2.gz NCMPMNPOHUPYFQ-MRVWCRGKSA-N 1 0 278.352 2.358 20 5 CEBDRO CCCOC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030295 811343176 /nfs/dbraw/zinc/34/31/76/811343176.db2.gz YEGPGUXBWSIOSF-CHWSQXEVSA-N 1 0 270.373 2.323 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC001169029779 811343708 /nfs/dbraw/zinc/34/37/08/811343708.db2.gz XQAKCXJKQLSLGR-UHFFFAOYSA-N 1 0 274.324 2.473 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC001169036323 811346832 /nfs/dbraw/zinc/34/68/32/811346832.db2.gz NJUVHHSNDOCKRO-UTLUCORTSA-N 1 0 266.263 2.316 20 5 CEBDRO C[N@H+](CC1CC(F)(F)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034162 811347329 /nfs/dbraw/zinc/34/73/29/811347329.db2.gz FPWGSJYJMGMWGF-GXSJLCMTSA-N 1 0 262.300 2.409 20 5 CEBDRO CCCC[N@H+](CC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049038 811357466 /nfs/dbraw/zinc/35/74/66/811357466.db2.gz VUJJLNHPHSSDEF-OLZOCXBDSA-N 1 0 286.372 2.097 20 5 CEBDRO CC(C)[N@H+](CCCCCO)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047615 811357698 /nfs/dbraw/zinc/35/76/98/811357698.db2.gz RSNWXFGIMHXNCF-KGLIPLIRSA-N 1 0 272.389 2.305 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001169231814 811446110 /nfs/dbraw/zinc/44/61/10/811446110.db2.gz UDEKHQJMAZXOQF-SSDOTTSWSA-N 1 0 266.688 2.454 20 5 CEBDRO Cc1cnc(-n2cc(CC[NH3+])c3ncccc32)cc1[N+](=O)[O-] ZINC001169711362 811637715 /nfs/dbraw/zinc/63/77/15/811637715.db2.gz WLYLFWAIOMASJI-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001123359188 815509239 /nfs/dbraw/zinc/50/92/39/815509239.db2.gz FUFXWXCJUOCHHB-UHFFFAOYSA-N 1 0 294.355 2.367 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC001170295247 812375219 /nfs/dbraw/zinc/37/52/19/812375219.db2.gz BWBJYTCFZFGPPW-RYUDHWBXSA-N 1 0 295.383 2.074 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(C)COC2)c([N+](=O)[O-])c1 ZINC001170300237 812376355 /nfs/dbraw/zinc/37/63/55/812376355.db2.gz YTEMJIREMXWTCB-LLVKDONJSA-N 1 0 294.351 2.161 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001254538615 812478958 /nfs/dbraw/zinc/47/89/58/812478958.db2.gz XFIRDAYMSMFCMF-JKOKRWQUSA-N 1 0 264.325 2.029 20 5 CEBDRO C[NH+]1C(C)(C)CC(Nc2cnc([N+](=O)[O-])cn2)CC1(C)C ZINC001170450966 812495416 /nfs/dbraw/zinc/49/54/16/812495416.db2.gz FMRNGSSXCGMCCW-UHFFFAOYSA-N 1 0 293.371 2.448 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC001172900548 815539869 /nfs/dbraw/zinc/53/98/69/815539869.db2.gz VLUAUYSGFRCUEH-WFASDCNBSA-N 1 0 290.363 2.468 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899094 815540000 /nfs/dbraw/zinc/54/00/00/815540000.db2.gz TWDPRFRMCKUSLL-RISCZKNCSA-N 1 0 278.352 2.467 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](O)C1)CC2 ZINC001172907527 815540707 /nfs/dbraw/zinc/54/07/07/815540707.db2.gz GWJSVBFQDCEZGC-GDBMZVCRSA-N 1 0 290.363 2.299 20 5 CEBDRO CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]C1 ZINC001158205129 812633786 /nfs/dbraw/zinc/63/37/86/812633786.db2.gz LDVNEXLXMBFOIY-JTQLQIEISA-N 1 0 284.747 2.222 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@H](O)C1)CC2 ZINC001172896620 815542640 /nfs/dbraw/zinc/54/26/40/815542640.db2.gz PUYFUNATCKEWCT-DZKIICNBSA-N 1 0 290.363 2.345 20 5 CEBDRO CN1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895408 815542820 /nfs/dbraw/zinc/54/28/20/815542820.db2.gz CRNAYPUMTDEWKV-CABCVRRESA-N 1 0 289.379 2.136 20 5 CEBDRO [NH3+]Cc1nccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895186 815543150 /nfs/dbraw/zinc/54/31/50/815543150.db2.gz ALZXJHPGDQYFLF-ZDUSSCGKSA-N 1 0 286.335 2.370 20 5 CEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4CC[C@@H]4C3)nc2c1 ZINC001158422675 812696117 /nfs/dbraw/zinc/69/61/17/812696117.db2.gz DYJKDQSDIMIYST-CYBMUJFWSA-N 1 0 284.319 2.037 20 5 CEBDRO Cc1cc(Cl)c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170574690 812698150 /nfs/dbraw/zinc/69/81/50/812698150.db2.gz NUIFDUWEPKMULH-CABZTGNLSA-N 1 0 299.758 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1COC1)CC2 ZINC001172911013 815558820 /nfs/dbraw/zinc/55/88/20/815558820.db2.gz GSWVGCILPXZKOZ-HNNXBMFYSA-N 1 0 290.363 2.468 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCC(C)(C)[NH3+])n1 ZINC001160024898 813721529 /nfs/dbraw/zinc/72/15/29/813721529.db2.gz GQKNFDXUAJVSMI-UHFFFAOYSA-N 1 0 258.709 2.101 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136653201 813733064 /nfs/dbraw/zinc/73/30/64/813733064.db2.gz OJBBQFRHAWSCSB-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO CC(C)([NH3+])CNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001171191091 814082586 /nfs/dbraw/zinc/08/25/86/814082586.db2.gz JIHSJOYCMQHDIL-UHFFFAOYSA-N 1 0 287.323 2.201 20 5 CEBDRO CC1(C)CC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001161038576 814436427 /nfs/dbraw/zinc/43/64/27/814436427.db2.gz XPDDWYDPQZHXOC-SNVBAGLBSA-N 1 0 291.355 2.062 20 5 CEBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]C2)cc1 ZINC000697067296 814644422 /nfs/dbraw/zinc/64/44/22/814644422.db2.gz YPHWNMBSJOXQLE-LLVKDONJSA-N 1 0 250.298 2.363 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001117312602 814913904 /nfs/dbraw/zinc/91/39/04/814913904.db2.gz WTDIGPNLZAVJSY-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001173217193 815623761 /nfs/dbraw/zinc/62/37/61/815623761.db2.gz QKEHJTRUOAKJBK-WHOFXGATSA-N 1 0 278.352 2.419 20 5 CEBDRO CCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216431 815623809 /nfs/dbraw/zinc/62/38/09/815623809.db2.gz JJVZKTLPFJUYKB-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(C)c1 ZINC001173217612 815624474 /nfs/dbraw/zinc/62/44/74/815624474.db2.gz XKBHEGMWMRBXSV-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CO ZINC001173217488 815624765 /nfs/dbraw/zinc/62/47/65/815624765.db2.gz VLTZBZUAPKXTDG-NSHDSACASA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC001173221970 815626455 /nfs/dbraw/zinc/62/64/55/815626455.db2.gz OBCJROJGAPRKIR-JMSVASOKSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1CO ZINC001173223561 815627337 /nfs/dbraw/zinc/62/73/37/815627337.db2.gz AWBJUOYLZNIHSU-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222135 815628086 /nfs/dbraw/zinc/62/80/86/815628086.db2.gz PIAPNQMOCYVDTE-FZMZJTMJSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C2COC2)C1 ZINC001173226629 815631625 /nfs/dbraw/zinc/63/16/25/815631625.db2.gz MXTIDTDXXFWHSQ-LLVKDONJSA-N 1 0 276.336 2.104 20 5 CEBDRO COC(=O)CC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231889 815632337 /nfs/dbraw/zinc/63/23/37/815632337.db2.gz OPFWDVXHIJSGDY-LLVKDONJSA-N 1 0 280.324 2.021 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CC2)C1 ZINC001173231603 815632779 /nfs/dbraw/zinc/63/27/79/815632779.db2.gz NCHURMQMTYCGIF-LBPRGKRZSA-N 1 0 276.336 2.391 20 5 CEBDRO CC(C)[C@@](C)([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173212624 815635311 /nfs/dbraw/zinc/63/53/11/815635311.db2.gz BQNQNJSOUOASEN-XHDPSFHLSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nccc1C[NH3+] ZINC001173210043 815635911 /nfs/dbraw/zinc/63/59/11/815635911.db2.gz GZDDYGPPYFNPBL-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCOCC1 ZINC001173213132 815636819 /nfs/dbraw/zinc/63/68/19/815636819.db2.gz DTUWHJIJECSCNW-NSHDSACASA-N 1 0 264.325 2.294 20 5 CEBDRO COc1cnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177410 815685037 /nfs/dbraw/zinc/68/50/37/815685037.db2.gz NLQXPLGFBNTHQW-JTQLQIEISA-N 1 0 292.339 2.037 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294952373 199268063 /nfs/dbraw/zinc/26/80/63/199268063.db2.gz FLAXRNAZPABLBM-JTQLQIEISA-N 1 0 265.313 2.230 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058178 282083444 /nfs/dbraw/zinc/08/34/44/282083444.db2.gz GZWRGMOWSHPGCP-LLVKDONJSA-N 1 0 294.351 2.315 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnn(C)c1 ZINC000449086068 282094582 /nfs/dbraw/zinc/09/45/82/282094582.db2.gz QEWOMSMLTJXRFF-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334459 346823596 /nfs/dbraw/zinc/82/35/96/346823596.db2.gz KUDNFLKUNQBCDN-NHYWBVRUSA-N 1 0 293.342 2.308 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449194160 282137945 /nfs/dbraw/zinc/13/79/45/282137945.db2.gz OQHCQDWTGJUOSK-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794139 361858373 /nfs/dbraw/zinc/85/83/73/361858373.db2.gz HXZLPIRWDGSRRD-MFKMUULPSA-N 1 0 279.340 2.112 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000080611262 344016739 /nfs/dbraw/zinc/01/67/39/344016739.db2.gz QAKKOUYMWALPGX-CQSZACIVSA-N 1 0 293.367 2.272 20 5 CEBDRO Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000080611261 344016785 /nfs/dbraw/zinc/01/67/85/344016785.db2.gz QOGFOQHQRXTRBS-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417850673 529564498 /nfs/dbraw/zinc/56/44/98/529564498.db2.gz MNJIVMSXIXLKIE-ZYHUDNBSSA-N 1 0 294.355 2.001 20 5 CEBDRO Cc1nn(CC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc12 ZINC000567809153 299093658 /nfs/dbraw/zinc/09/36/58/299093658.db2.gz KBMNRRSLLBAJSN-UHFFFAOYSA-N 1 0 274.324 2.253 20 5 CEBDRO CCOC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045686577 362165242 /nfs/dbraw/zinc/16/52/42/362165242.db2.gz MRVBCIQAMSPRQD-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C2CC2)CC1 ZINC000014327337 343368351 /nfs/dbraw/zinc/36/83/51/343368351.db2.gz ZSHMWZKZVNLYED-UHFFFAOYSA-N 1 0 262.313 2.029 20 5 CEBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170863696 282263706 /nfs/dbraw/zinc/26/37/06/282263706.db2.gz IVVUGUJEEAAERW-JTQLQIEISA-N 1 0 297.742 2.024 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047145549 343511809 /nfs/dbraw/zinc/51/18/09/343511809.db2.gz QOVOJACOPXFNGB-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047142662 343512080 /nfs/dbraw/zinc/51/20/80/343512080.db2.gz IVUDCOIWTKFXMR-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048022991 343524552 /nfs/dbraw/zinc/52/45/52/343524552.db2.gz GYOCJBPIEQHTMZ-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000127861853 365765003 /nfs/dbraw/zinc/76/50/03/365765003.db2.gz NMTZYAGMJWJLQW-UHFFFAOYSA-N 1 0 263.341 2.041 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@@H](C)O ZINC000449543722 282278126 /nfs/dbraw/zinc/27/81/26/282278126.db2.gz OTCLNRAJSNYSMO-ZWNOBZJWSA-N 1 0 282.340 2.243 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000057838663 343638754 /nfs/dbraw/zinc/63/87/54/343638754.db2.gz BOYHQSJQXSCXTK-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000057839515 343638904 /nfs/dbraw/zinc/63/89/04/343638904.db2.gz VAOGPGCRAACUQV-UHFFFAOYSA-N 1 0 282.300 2.303 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000064337439 343688760 /nfs/dbraw/zinc/68/87/60/343688760.db2.gz VYZUTRMEMPFTCZ-NWDGAFQWSA-N 1 0 295.314 2.009 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000067573384 343739352 /nfs/dbraw/zinc/73/93/52/343739352.db2.gz DKVWLLIFLAOOAC-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1cnccc1NCCC[NH+]1CCCCC1 ZINC000066796970 343722307 /nfs/dbraw/zinc/72/23/07/343722307.db2.gz ZLJZYNGDHRVIBA-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000602018943 346961689 /nfs/dbraw/zinc/96/16/89/346961689.db2.gz CNKAANYSMFZINP-MWLCHTKSSA-N 1 0 283.759 2.275 20 5 CEBDRO CC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068576281 343769182 /nfs/dbraw/zinc/76/91/82/343769182.db2.gz MGMHMTJUDQTMJH-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072924460 343815058 /nfs/dbraw/zinc/81/50/58/343815058.db2.gz YJLAAAVEMMGRNN-ZDUSSCGKSA-N 1 0 252.314 2.355 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000072924735 343815086 /nfs/dbraw/zinc/81/50/86/343815086.db2.gz HPZGXLAKWOAWRH-CYBMUJFWSA-N 1 0 252.314 2.355 20 5 CEBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000072924779 343815476 /nfs/dbraw/zinc/81/54/76/343815476.db2.gz IEMGIKLDHJHYFX-CYBMUJFWSA-N 1 0 252.314 2.355 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000602170224 346986949 /nfs/dbraw/zinc/98/69/49/346986949.db2.gz IQSZRMGAWOBQJA-UWVGGRQHSA-N 1 0 297.380 2.115 20 5 CEBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000076225508 343885950 /nfs/dbraw/zinc/88/59/50/343885950.db2.gz KHXFHPDUIQNDRN-UHFFFAOYSA-N 1 0 296.371 2.165 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000111299212 529943448 /nfs/dbraw/zinc/94/34/48/529943448.db2.gz BWJNJSNFEOZZLK-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)(O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605801 344112400 /nfs/dbraw/zinc/11/24/00/344112400.db2.gz WXIKTKOQGWFTPU-UHFFFAOYSA-N 1 0 264.325 2.114 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089931745 344132136 /nfs/dbraw/zinc/13/21/36/344132136.db2.gz FBIMKYZHUUVKHH-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000049480563 362366518 /nfs/dbraw/zinc/36/65/18/362366518.db2.gz ZJFUUQOIWQPHMT-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439314 347033880 /nfs/dbraw/zinc/03/38/80/347033880.db2.gz JUVVQUIKBPAVCR-LBPRGKRZSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000049558719 362373048 /nfs/dbraw/zinc/37/30/48/362373048.db2.gz AENXREHGILCFQM-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000602466919 347043850 /nfs/dbraw/zinc/04/38/50/347043850.db2.gz PUZYRYWRZNZYOF-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000114771660 344280855 /nfs/dbraw/zinc/28/08/55/344280855.db2.gz WHKVSNRXPUTGOV-QMMMGPOBSA-N 1 0 290.266 2.057 20 5 CEBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000117195030 344288964 /nfs/dbraw/zinc/28/89/64/344288964.db2.gz HEGBETCIRHODCG-UHFFFAOYSA-N 1 0 293.367 2.062 20 5 CEBDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000129490685 344344296 /nfs/dbraw/zinc/34/42/96/344344296.db2.gz FQHPDDYPLZPGNA-CYBMUJFWSA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H](CO)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530230 344302970 /nfs/dbraw/zinc/30/29/70/344302970.db2.gz WQWXDOJXQRYVHF-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122461627 344306432 /nfs/dbraw/zinc/30/64/32/344306432.db2.gz BCVJRFHOIVQFBP-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@@H]1[NH3+] ZINC000122497600 344306560 /nfs/dbraw/zinc/30/65/60/344306560.db2.gz WPXPIKQPSYDSMJ-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122539689 344306685 /nfs/dbraw/zinc/30/66/85/344306685.db2.gz HPHACINPMASUNY-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO COc1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914448 344378838 /nfs/dbraw/zinc/37/88/38/344378838.db2.gz ADRAPKIMJFSRNP-SNVBAGLBSA-N 1 0 277.324 2.252 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000162717104 344468856 /nfs/dbraw/zinc/46/88/56/344468856.db2.gz HVBIZIBGXGQVPR-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163165 362407179 /nfs/dbraw/zinc/40/71/79/362407179.db2.gz RZCCJPVXOSSWMH-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000226357842 344549215 /nfs/dbraw/zinc/54/92/15/344549215.db2.gz ZSYMLWMOAKFFBI-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO COc1ccc(CNCc2ncc(C)o2)cc1[N+](=O)[O-] ZINC000234939491 344588070 /nfs/dbraw/zinc/58/80/70/344588070.db2.gz KIRNNNUIPIOIPT-UHFFFAOYSA-N 1 0 277.280 2.190 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000051916653 362449166 /nfs/dbraw/zinc/44/91/66/362449166.db2.gz VPSFZIKBTPDJJL-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCOC3)nc2c1 ZINC000602518224 347064626 /nfs/dbraw/zinc/06/46/26/347064626.db2.gz MRKQOWNFYUQNCS-JTQLQIEISA-N 1 0 291.307 2.252 20 5 CEBDRO Cc1ncccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310509747 344730391 /nfs/dbraw/zinc/73/03/91/344730391.db2.gz PYOALEJXUSUZLS-UHFFFAOYSA-N 1 0 297.112 2.306 20 5 CEBDRO CO[C@@H](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311090139 344732572 /nfs/dbraw/zinc/73/25/72/344732572.db2.gz QRVUAIYMYLHQJT-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO Cn1cc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000314834977 344746499 /nfs/dbraw/zinc/74/64/99/344746499.db2.gz GHAPHNBMPWAWRO-UHFFFAOYSA-N 1 0 288.351 2.093 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302581415 344704013 /nfs/dbraw/zinc/70/40/13/344704013.db2.gz RRBVTYOZRSERNJ-MRVPVSSYSA-N 1 0 270.720 2.007 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000273216518 192076934 /nfs/dbraw/zinc/07/69/34/192076934.db2.gz URZFAMPXTOBWLX-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789798 282369015 /nfs/dbraw/zinc/36/90/15/282369015.db2.gz IHGCKLJLNFVOHP-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577086 347085404 /nfs/dbraw/zinc/08/54/04/347085404.db2.gz RLAJSADLGFRQTF-NXEZZACHSA-N 1 0 291.307 2.393 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]12 ZINC000584771363 344984931 /nfs/dbraw/zinc/98/49/31/344984931.db2.gz HLSOZARZJCKJGE-KCPJHIHWSA-N 1 0 298.346 2.317 20 5 CEBDRO CC[C@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000127359610 187299877 /nfs/dbraw/zinc/29/98/77/187299877.db2.gz PFEAREXUJYRNGZ-NSHDSACASA-N 1 0 272.732 2.499 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111168 345066084 /nfs/dbraw/zinc/06/60/84/345066084.db2.gz SQDGPLZSLCCWIV-JTQLQIEISA-N 1 0 298.774 2.209 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000590140385 345117040 /nfs/dbraw/zinc/11/70/40/345117040.db2.gz DVBFYTVVXRYRQJ-VIFPVBQESA-N 1 0 255.343 2.044 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[C@@H]2C)c1 ZINC000590375319 345131525 /nfs/dbraw/zinc/13/15/25/345131525.db2.gz HJPFKCYTMNIBKM-UWVGGRQHSA-N 1 0 278.308 2.222 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591141920 345224545 /nfs/dbraw/zinc/22/45/45/345224545.db2.gz QHQIRTBWJRWBIN-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCCC[NH2+]1 ZINC000591275624 345236628 /nfs/dbraw/zinc/23/66/28/345236628.db2.gz LGXGRHIAOSHVPB-DYLGSBMWSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591438640 345254907 /nfs/dbraw/zinc/25/49/07/345254907.db2.gz OULZQVOPQGCALC-NHYWBVRUSA-N 1 0 298.346 2.331 20 5 CEBDRO CCOc1cccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591439882 345255170 /nfs/dbraw/zinc/25/51/70/345255170.db2.gz ZMQAOQGPPIQVAT-VXGBXAGGSA-N 1 0 291.351 2.182 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000591686584 345273870 /nfs/dbraw/zinc/27/38/70/345273870.db2.gz BOVOXROKMYCGJJ-NSHDSACASA-N 1 0 278.308 2.176 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000273938127 192370527 /nfs/dbraw/zinc/37/05/27/192370527.db2.gz DAUOQCKDJWSRAK-NWDGAFQWSA-N 1 0 296.367 2.489 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592437178 345353270 /nfs/dbraw/zinc/35/32/70/345353270.db2.gz BHSVFUNTPFNTAR-RKDXNWHRSA-N 1 0 271.748 2.464 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000592158462 345332511 /nfs/dbraw/zinc/33/25/11/345332511.db2.gz CQJSANIZODPAOR-UHFFFAOYSA-N 1 0 276.214 2.212 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127409893 187303346 /nfs/dbraw/zinc/30/33/46/187303346.db2.gz QJVZNTXEEVMJHB-HNNXBMFYSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000127436050 187305875 /nfs/dbraw/zinc/30/58/75/187305875.db2.gz IWMNIURNDFTVRR-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127437168 187306128 /nfs/dbraw/zinc/30/61/28/187306128.db2.gz SDVCRLJDUOPGGO-CYBMUJFWSA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722807 345528036 /nfs/dbraw/zinc/52/80/36/345528036.db2.gz ZAYXZMVFEFBBNY-DOMZBBRYSA-N 1 0 294.351 2.177 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593902965 345550750 /nfs/dbraw/zinc/55/07/50/345550750.db2.gz MEOFEIYLCKSOMV-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CC(F)(F)F)cc1 ZINC000602579181 347086582 /nfs/dbraw/zinc/08/65/82/347086582.db2.gz IEJHVVBYHWSVQF-SNVBAGLBSA-N 1 0 292.257 2.040 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000594592782 345654190 /nfs/dbraw/zinc/65/41/90/345654190.db2.gz WXNJKBRNZPNNRH-DTORHVGOSA-N 1 0 255.343 2.408 20 5 CEBDRO CC[C@H](C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594717706 345677702 /nfs/dbraw/zinc/67/77/02/345677702.db2.gz FIMINQICOFJRED-STQMWFEESA-N 1 0 296.367 2.360 20 5 CEBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000594738085 345682615 /nfs/dbraw/zinc/68/26/15/345682615.db2.gz GHQGDZBMSFHDDK-UHFFFAOYSA-N 1 0 267.304 2.095 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C/C=C\CO)cccc1[N+](=O)[O-] ZINC000595067637 345738902 /nfs/dbraw/zinc/73/89/02/345738902.db2.gz HGLZMFKUEBQEFD-DLRQAJBASA-N 1 0 250.298 2.102 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000594969899 345719761 /nfs/dbraw/zinc/71/97/61/345719761.db2.gz SJXYSBHGLYJJNA-LLVKDONJSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H](O)C2)o1 ZINC000595000931 345723759 /nfs/dbraw/zinc/72/37/59/345723759.db2.gz NLVMJZVEKYWYBY-XYPYZODXSA-N 1 0 288.303 2.468 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000595009123 345726278 /nfs/dbraw/zinc/72/62/78/345726278.db2.gz ACTHUXZUNUQKTJ-LBPRGKRZSA-N 1 0 292.335 2.405 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CCO ZINC000595029771 345730930 /nfs/dbraw/zinc/73/09/30/345730930.db2.gz YJEAUMWSVIGUKO-MNOVXSKESA-N 1 0 282.340 2.273 20 5 CEBDRO COC[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000595060296 345737534 /nfs/dbraw/zinc/73/75/34/345737534.db2.gz MMAAPXMPJWTFGU-FZMZJTMJSA-N 1 0 294.351 2.223 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595377116 345770945 /nfs/dbraw/zinc/77/09/45/345770945.db2.gz NZFJPNJNWYOTRY-ZYHUDNBSSA-N 1 0 296.371 2.053 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[N+](=O)[O-] ZINC000595408092 345776145 /nfs/dbraw/zinc/77/61/45/345776145.db2.gz MCIOWLXNZBLTIX-CYBMUJFWSA-N 1 0 283.328 2.018 20 5 CEBDRO Cc1noc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523139 345803332 /nfs/dbraw/zinc/80/33/32/345803332.db2.gz IKZAVLIAGOFYEN-YPMHNXCESA-N 1 0 299.371 2.270 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827045 345887555 /nfs/dbraw/zinc/88/75/55/345887555.db2.gz KWHBKEHKNMERNX-OLZOCXBDSA-N 1 0 262.309 2.063 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595827044 345887577 /nfs/dbraw/zinc/88/75/77/345887577.db2.gz KWHBKEHKNMERNX-CHWSQXEVSA-N 1 0 262.309 2.063 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595749941 345865685 /nfs/dbraw/zinc/86/56/85/345865685.db2.gz ITBIZWXGNNKYIE-HNNXBMFYSA-N 1 0 276.336 2.332 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595755643 345867917 /nfs/dbraw/zinc/86/79/17/345867917.db2.gz CBJGKVJBEWEHSP-DZGCQCFKSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595871963 345903002 /nfs/dbraw/zinc/90/30/02/345903002.db2.gz JEWNRYJPBLGZLI-QMTHXVAHSA-N 1 0 282.315 2.184 20 5 CEBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875173 345903763 /nfs/dbraw/zinc/90/37/63/345903763.db2.gz PYVDYYQHMFDQOK-ABAIWWIYSA-N 1 0 278.352 2.354 20 5 CEBDRO [NH3+]CC12CC(C1)CN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595907722 345911084 /nfs/dbraw/zinc/91/10/84/345911084.db2.gz FDZVSMCDDJZKKP-UHFFFAOYSA-N 1 0 281.743 2.171 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908755 345911689 /nfs/dbraw/zinc/91/16/89/345911689.db2.gz PXVZPTJEQGEBER-KCJUWKMLSA-N 1 0 291.273 2.477 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595926886 345914417 /nfs/dbraw/zinc/91/44/17/345914417.db2.gz KYLSQJXDCCFXMO-ZWNOBZJWSA-N 1 0 291.351 2.160 20 5 CEBDRO Cc1sc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595947040 345917319 /nfs/dbraw/zinc/91/73/19/345917319.db2.gz GWEISQGYXURZSQ-SECBINFHSA-N 1 0 285.369 2.068 20 5 CEBDRO Cc1cccc(C(=O)NCC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000595951986 345917500 /nfs/dbraw/zinc/91/75/00/345917500.db2.gz UYBSRACPLYDENB-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596104747 345940863 /nfs/dbraw/zinc/94/08/63/345940863.db2.gz MUFRHLDXMXCIRP-SNVBAGLBSA-N 1 0 298.412 2.013 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])s1 ZINC000596143169 345950537 /nfs/dbraw/zinc/95/05/37/345950537.db2.gz ZCQGUOCDNBJIMI-LLVKDONJSA-N 1 0 279.365 2.415 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000596307405 345995008 /nfs/dbraw/zinc/99/50/08/345995008.db2.gz MFZMREOXIIZVQG-NSHDSACASA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596265778 345985905 /nfs/dbraw/zinc/98/59/05/345985905.db2.gz POKANNYXFRRMRY-KOLCDFICSA-N 1 0 267.354 2.105 20 5 CEBDRO Cc1cccc(NCCN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423803 346020184 /nfs/dbraw/zinc/02/01/84/346020184.db2.gz CILUUMNGLOBZRN-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO COc1cc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596431804 346022034 /nfs/dbraw/zinc/02/20/34/346022034.db2.gz NGPHBCBIJJJCJF-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596433223 346022413 /nfs/dbraw/zinc/02/24/13/346022413.db2.gz SJCYNYUKFOYBDI-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO C[C@H](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000596432594 346022692 /nfs/dbraw/zinc/02/26/92/346022692.db2.gz RCCUAOBJZCBKNO-SNVBAGLBSA-N 1 0 278.356 2.315 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000596337425 346003224 /nfs/dbraw/zinc/00/32/24/346003224.db2.gz XDEOHPVQYRKGQC-LLVKDONJSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302794 187362467 /nfs/dbraw/zinc/36/24/67/187362467.db2.gz MPYGUBXBCAQBJM-QWHCGFSZSA-N 1 0 264.325 2.152 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000596452854 346027668 /nfs/dbraw/zinc/02/76/68/346027668.db2.gz HDSKXGPHUFESKL-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596454361 346028038 /nfs/dbraw/zinc/02/80/38/346028038.db2.gz SSCWWALNVBHRQZ-SECBINFHSA-N 1 0 298.318 2.196 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654348 346072669 /nfs/dbraw/zinc/07/26/69/346072669.db2.gz JRAKSPJYSNFGMM-HZMBPMFUSA-N 1 0 263.341 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597075990 346124150 /nfs/dbraw/zinc/12/41/50/346124150.db2.gz NSQILFAHHGZTLS-JSGCOSHPSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212602 346150366 /nfs/dbraw/zinc/15/03/66/346150366.db2.gz VVFDPXJZXGPCIO-UKRRQHHQSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(CO)CCC1 ZINC000597254365 346162758 /nfs/dbraw/zinc/16/27/58/346162758.db2.gz KGPKYMDUELMDPW-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602586498 347089313 /nfs/dbraw/zinc/08/93/13/347089313.db2.gz RVALRWFHNXFWJY-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H](CNCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000060942151 362672719 /nfs/dbraw/zinc/67/27/19/362672719.db2.gz CYPDPCXDBKHDKY-ZDUSSCGKSA-N 1 0 277.368 2.416 20 5 CEBDRO COc1ccc(CNCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000062072791 362704971 /nfs/dbraw/zinc/70/49/71/362704971.db2.gz HPRMWJRNJQPQNC-UHFFFAOYSA-N 1 0 293.367 2.179 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H](C)[NH2+]1 ZINC000598536346 346371976 /nfs/dbraw/zinc/37/19/76/346371976.db2.gz SIJJFLGTLWPONO-WCBMZHEXSA-N 1 0 297.380 2.177 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726387 362722258 /nfs/dbraw/zinc/72/22/58/362722258.db2.gz VBKVVUKKEYPTMZ-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598988384 346442590 /nfs/dbraw/zinc/44/25/90/346442590.db2.gz QWKDARHJQJXHPS-LBPRGKRZSA-N 1 0 299.321 2.414 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000599139363 346466495 /nfs/dbraw/zinc/46/64/95/346466495.db2.gz NINVUEOMFLFPRV-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063191970 362755244 /nfs/dbraw/zinc/75/52/44/362755244.db2.gz RRLCLVSPXKEXSC-KOLCDFICSA-N 1 0 269.370 2.358 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000602604072 347096406 /nfs/dbraw/zinc/09/64/06/347096406.db2.gz IQXSFBVCFHMSQI-HAQNSBGRSA-N 1 0 291.351 2.211 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196048 362758854 /nfs/dbraw/zinc/75/88/54/362758854.db2.gz RNBKJXCZQJFALA-SWLSCSKDSA-N 1 0 277.368 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C[NH3+])CCCCC1 ZINC000602605178 347097568 /nfs/dbraw/zinc/09/75/68/347097568.db2.gz YZRAHVNAWFVOOP-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000599624001 346547859 /nfs/dbraw/zinc/54/78/59/346547859.db2.gz JCBALUGGYIXMRZ-NWJSVONSSA-N 1 0 294.351 2.375 20 5 CEBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccn1 ZINC000600160313 346609341 /nfs/dbraw/zinc/60/93/41/346609341.db2.gz CPJFLZPIQDQKTD-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO CC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129157543 365832291 /nfs/dbraw/zinc/83/22/91/365832291.db2.gz MNYUUCNATWSIPF-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C23CCC3)cs1 ZINC000600677922 346672131 /nfs/dbraw/zinc/67/21/31/346672131.db2.gz DLAYNKVVWJPQLH-JTQLQIEISA-N 1 0 267.354 2.031 20 5 CEBDRO CC(C)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148402 346769765 /nfs/dbraw/zinc/76/97/65/346769765.db2.gz BIEJREGDJFTNAZ-ZDUSSCGKSA-N 1 0 252.314 2.048 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601100978 346752855 /nfs/dbraw/zinc/75/28/55/346752855.db2.gz RTGSKPKGQDWSSW-UHFFFAOYSA-N 1 0 288.351 2.317 20 5 CEBDRO C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])Cn1ccnc1 ZINC000601105700 346754121 /nfs/dbraw/zinc/75/41/21/346754121.db2.gz MMPYKLXCPNHRJX-SECBINFHSA-N 1 0 279.275 2.074 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601201092 346785861 /nfs/dbraw/zinc/78/58/61/346785861.db2.gz KZTVEZFGOIIZLJ-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601204466 346787140 /nfs/dbraw/zinc/78/71/40/346787140.db2.gz NMMVXQBWCBMFGE-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CCC[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000602642542 347118874 /nfs/dbraw/zinc/11/88/74/347118874.db2.gz YZYPGEOUEPLGND-CYBMUJFWSA-N 1 0 296.371 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CC4)CC2)cn1 ZINC000602693255 347150630 /nfs/dbraw/zinc/15/06/30/347150630.db2.gz DNWOTSSBFAVLNV-CYBMUJFWSA-N 1 0 288.351 2.101 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)nc2c1 ZINC000602699198 347155522 /nfs/dbraw/zinc/15/55/22/347155522.db2.gz NCULQSKQSYJCJQ-FOGDFJRCSA-N 1 0 289.291 2.146 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])n1 ZINC000602718346 347168137 /nfs/dbraw/zinc/16/81/37/347168137.db2.gz NFKZDCAEOMWYDR-GFCCVEGCSA-N 1 0 278.356 2.340 20 5 CEBDRO [NH3+]CCN(Cc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000602659855 347128371 /nfs/dbraw/zinc/12/83/71/347128371.db2.gz UJHUUANOUFQFEJ-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000602786580 347198358 /nfs/dbraw/zinc/19/83/58/347198358.db2.gz RIYUTSYBJKSKNU-QWRGUYRKSA-N 1 0 266.345 2.220 20 5 CEBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602818771 347212910 /nfs/dbraw/zinc/21/29/10/347212910.db2.gz WVUCNRPUMJENST-SECBINFHSA-N 1 0 294.277 2.395 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733896 347177641 /nfs/dbraw/zinc/17/76/41/347177641.db2.gz XHBLFHBDZAPRDB-UHIISALHSA-N 1 0 264.325 2.048 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602835921 347218350 /nfs/dbraw/zinc/21/83/50/347218350.db2.gz ADICSHSAJPXBLM-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO CCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602840649 347220702 /nfs/dbraw/zinc/22/07/02/347220702.db2.gz OWMFFTWYZQCRFP-LBPRGKRZSA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(C2CCC2)CC1 ZINC000602866360 347231343 /nfs/dbraw/zinc/23/13/43/347231343.db2.gz PCWKWNKXRZVKPJ-UHFFFAOYSA-N 1 0 264.329 2.022 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[NH2+]2)c1 ZINC000603417841 347364871 /nfs/dbraw/zinc/36/48/71/347364871.db2.gz CIMWHSRPEUSSRT-SNVBAGLBSA-N 1 0 267.354 2.020 20 5 CEBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])o2)CC(C)(C)[NH2+]1 ZINC000603833699 347389948 /nfs/dbraw/zinc/38/99/48/347389948.db2.gz LLOOBMANWNENAR-UHFFFAOYSA-N 1 0 295.339 2.227 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000609204513 347630537 /nfs/dbraw/zinc/63/05/37/347630537.db2.gz UXCBUDKRWJMCKS-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609350936 347636003 /nfs/dbraw/zinc/63/60/03/347636003.db2.gz XOHJUHXTDZFDSR-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609350945 347636258 /nfs/dbraw/zinc/63/62/58/347636258.db2.gz XXGONCCKZOQOLE-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO CCCC[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000609571003 347644250 /nfs/dbraw/zinc/64/42/50/347644250.db2.gz PSPUQGLHMVBCHR-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609670564 347649289 /nfs/dbraw/zinc/64/92/89/347649289.db2.gz UPYSIJDZLJPVDL-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO C[NH+](C)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610273839 347668280 /nfs/dbraw/zinc/66/82/80/347668280.db2.gz QDEMFRUADQICHT-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383711 347771424 /nfs/dbraw/zinc/77/14/24/347771424.db2.gz OKYZLNBQJSVTGY-NSHDSACASA-N 1 0 287.319 2.144 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929802 347723178 /nfs/dbraw/zinc/72/31/78/347723178.db2.gz QNKDURDPNYNLAU-JTQLQIEISA-N 1 0 284.747 2.174 20 5 CEBDRO CC(C)C([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000611433981 347779221 /nfs/dbraw/zinc/77/92/21/347779221.db2.gz AGOFGLCBYKCARG-UHFFFAOYSA-N 1 0 293.367 2.464 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000611084363 347737253 /nfs/dbraw/zinc/73/72/53/347737253.db2.gz AKKZFIGMRJPAEH-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO COCC1(N(C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611178722 347748422 /nfs/dbraw/zinc/74/84/22/347748422.db2.gz KUCUCXQYMCYARD-UHFFFAOYSA-N 1 0 268.288 2.345 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611222050 347753328 /nfs/dbraw/zinc/75/33/28/347753328.db2.gz SDCODHVATUZIRE-VXGBXAGGSA-N 1 0 278.356 2.217 20 5 CEBDRO CC[NH+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249347 347758477 /nfs/dbraw/zinc/75/84/77/347758477.db2.gz RRIPTQQSEIXZLT-UHFFFAOYSA-N 1 0 266.297 2.208 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000611510165 347788070 /nfs/dbraw/zinc/78/80/70/347788070.db2.gz BIMCTFFKROORKT-UWVGGRQHSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612745190 347922850 /nfs/dbraw/zinc/92/28/50/347922850.db2.gz DXKPLQAMDAFCEL-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339388291 215139160 /nfs/dbraw/zinc/13/91/60/215139160.db2.gz VADSWRNUKIOQFX-LLVKDONJSA-N 1 0 291.311 2.394 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614418888 348197713 /nfs/dbraw/zinc/19/77/13/348197713.db2.gz DMHGACPLJPXHJB-SMDDNHRTSA-N 1 0 287.323 2.194 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000351941290 219256606 /nfs/dbraw/zinc/25/66/06/219256606.db2.gz PBRPWIRRMAXSMT-UHFFFAOYSA-N 1 0 278.308 2.028 20 5 CEBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000616999927 348604496 /nfs/dbraw/zinc/60/44/96/348604496.db2.gz MNALRAFJPWIDLT-JTQLQIEISA-N 1 0 269.370 2.433 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089107282 179703321 /nfs/dbraw/zinc/70/33/21/179703321.db2.gz RXAZISMPIJJPGQ-OLZOCXBDSA-N 1 0 291.351 2.151 20 5 CEBDRO CSCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618561697 348975941 /nfs/dbraw/zinc/97/59/41/348975941.db2.gz OFVMACZHJLVTEZ-GHMZBOCLSA-N 1 0 284.385 2.228 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000618724526 349029896 /nfs/dbraw/zinc/02/98/96/349029896.db2.gz DJQDMURNUXXWPR-UHFFFAOYSA-N 1 0 297.318 2.129 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339617300 215271217 /nfs/dbraw/zinc/27/12/17/215271217.db2.gz ROIWIORMXQRKBI-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090588952 180010141 /nfs/dbraw/zinc/01/01/41/180010141.db2.gz VFOYBVPPGQSUES-CHWSQXEVSA-N 1 0 293.367 2.125 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774132 180039043 /nfs/dbraw/zinc/03/90/43/180039043.db2.gz XQKSTVAMQVAVBC-CMPLNLGQSA-N 1 0 280.324 2.433 20 5 CEBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720519 180030277 /nfs/dbraw/zinc/03/02/77/180030277.db2.gz PPUVXBIOLHYDPG-AAEUAGOBSA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H]([NH2+]CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000091437128 180155255 /nfs/dbraw/zinc/15/52/55/180155255.db2.gz VWNHWMWFXYEZRH-JTQLQIEISA-N 1 0 250.298 2.282 20 5 CEBDRO CC(C)[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352178404 219346928 /nfs/dbraw/zinc/34/69/28/219346928.db2.gz MQQRDBDLFIDUCG-LBPRGKRZSA-N 1 0 283.303 2.259 20 5 CEBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092395330 180377074 /nfs/dbraw/zinc/37/70/74/180377074.db2.gz ZSENMPZQVUDSJH-NSHDSACASA-N 1 0 272.732 2.355 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000111158844 186361971 /nfs/dbraw/zinc/36/19/71/186361971.db2.gz KOWYPILAHIXBIG-UHFFFAOYSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000339794105 215341826 /nfs/dbraw/zinc/34/18/26/215341826.db2.gz JSJHYPRTAVXHKP-JTQLQIEISA-N 1 0 292.257 2.306 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000119273917 186814922 /nfs/dbraw/zinc/81/49/22/186814922.db2.gz PGVVQNZZNDHMJD-UTUOFQBUSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000070253386 363062699 /nfs/dbraw/zinc/06/26/99/363062699.db2.gz LCRWBOGAIDISJJ-LLVKDONJSA-N 1 0 289.335 2.231 20 5 CEBDRO COc1ccc(C[NH2+]C2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000131171115 366027684 /nfs/dbraw/zinc/02/76/84/366027684.db2.gz UIIZGVJFHSGITG-UHFFFAOYSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000120797741 186926413 /nfs/dbraw/zinc/92/64/13/186926413.db2.gz CZQKIVJNGPWZCW-JSGCOSHPSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000123165815 187074975 /nfs/dbraw/zinc/07/49/75/187074975.db2.gz NIIPDWGTRUWYEX-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO CC(=O)c1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291753983 198081222 /nfs/dbraw/zinc/08/12/22/198081222.db2.gz FZCDGFFPZQZYNC-SNVBAGLBSA-N 1 0 279.340 2.407 20 5 CEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122909441 187058853 /nfs/dbraw/zinc/05/88/53/187058853.db2.gz RTPZKLCHXLNZHA-NWDGAFQWSA-N 1 0 291.351 2.150 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271694 187553663 /nfs/dbraw/zinc/55/36/63/187553663.db2.gz PUPBTOCLIYOEGY-CMPLNLGQSA-N 1 0 250.298 2.343 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072557627 363144795 /nfs/dbraw/zinc/14/47/95/363144795.db2.gz BCEFGRXBRNCOAN-CYBMUJFWSA-N 1 0 277.324 2.042 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134823704 187774319 /nfs/dbraw/zinc/77/43/19/187774319.db2.gz SEURGLHRYOVGES-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CC[C@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125281 198173015 /nfs/dbraw/zinc/17/30/15/198173015.db2.gz AWJMGGKTMGUJCW-AAEUAGOBSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292143077 198180609 /nfs/dbraw/zinc/18/06/09/198180609.db2.gz MSLCVOOTADOBJI-JTQLQIEISA-N 1 0 252.314 2.190 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000292192649 198196380 /nfs/dbraw/zinc/19/63/80/198196380.db2.gz XQHRGXOCGDYYJX-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154422792 188141200 /nfs/dbraw/zinc/14/12/00/188141200.db2.gz QZHPTNQLVPHULJ-UHFFFAOYSA-N 1 0 293.367 2.161 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000295194069 199399776 /nfs/dbraw/zinc/39/97/76/199399776.db2.gz JWYLRHXTOOUXSH-UHFFFAOYSA-N 1 0 296.367 2.314 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000451241497 282934986 /nfs/dbraw/zinc/93/49/86/282934986.db2.gz LBETUBOVCSTNKT-CYBMUJFWSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000161431063 188527111 /nfs/dbraw/zinc/52/71/11/188527111.db2.gz NDYCOAVLOYXGDY-DGCLKSJQSA-N 1 0 266.345 2.350 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000162925966 188595141 /nfs/dbraw/zinc/59/51/41/188595141.db2.gz IXZLETYCECGREQ-NSHDSACASA-N 1 0 297.330 2.290 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074741415 363380592 /nfs/dbraw/zinc/38/05/92/363380592.db2.gz JGKMUQWJDHXCKM-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO COC(=O)N1CC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495626762 291057001 /nfs/dbraw/zinc/05/70/01/291057001.db2.gz QYMTWNLEDRWTNG-SNVBAGLBSA-N 1 0 293.323 2.004 20 5 CEBDRO Cc1sc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000272973948 192002825 /nfs/dbraw/zinc/00/28/25/192002825.db2.gz IASKZXKMYVHLCJ-ZDUSSCGKSA-N 1 0 297.380 2.084 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000452037885 283166496 /nfs/dbraw/zinc/16/64/96/283166496.db2.gz LUDCAIGPLSTVDH-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452118965 283193675 /nfs/dbraw/zinc/19/36/75/283193675.db2.gz KFJOCIIYFWVDFA-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076343795 363538155 /nfs/dbraw/zinc/53/81/55/363538155.db2.gz XGYIFBUQPXNSQX-AWEZNQCLSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000134382639 366313394 /nfs/dbraw/zinc/31/33/94/366313394.db2.gz PVCULPAWOHDOTH-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000134473225 366328020 /nfs/dbraw/zinc/32/80/20/366328020.db2.gz ZCLJVLVOOMHXNP-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO CCOc1cccc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134929085 366376499 /nfs/dbraw/zinc/37/64/99/366376499.db2.gz JMUBUEVOWLKJKF-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135203957 366408700 /nfs/dbraw/zinc/40/87/00/366408700.db2.gz ZEUKLMHNXDNVEU-WPRPVWTQSA-N 1 0 256.327 2.171 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135244062 366415791 /nfs/dbraw/zinc/41/57/91/366415791.db2.gz WBMLZYQGHFWCGQ-AWEZNQCLSA-N 1 0 293.367 2.349 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCOCC12CCC2 ZINC000135514076 366449515 /nfs/dbraw/zinc/44/95/15/366449515.db2.gz QUXKJCXBHNQNSO-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH3+] ZINC000415485346 236675274 /nfs/dbraw/zinc/67/52/74/236675274.db2.gz PRKIFAQMROQFRM-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135706963 366470110 /nfs/dbraw/zinc/47/01/10/366470110.db2.gz HLNKWZKBSDCOFG-NWDGAFQWSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000136128582 366496794 /nfs/dbraw/zinc/49/67/94/366496794.db2.gz LZDXBSLCYDOSRE-CYBMUJFWSA-N 1 0 263.297 2.066 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000338768773 366512853 /nfs/dbraw/zinc/51/28/53/366512853.db2.gz WRHMMWUDSZFCRE-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296601071 199943299 /nfs/dbraw/zinc/94/32/99/199943299.db2.gz VQCZIQRJQSLMGP-SNVBAGLBSA-N 1 0 281.356 2.236 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146198 237018180 /nfs/dbraw/zinc/01/81/80/237018180.db2.gz XVNCKOZJKQEGSU-MNOVXSKESA-N 1 0 294.355 2.082 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578745551 366541341 /nfs/dbraw/zinc/54/13/41/366541341.db2.gz GBSPIBNNXIZUSP-RYUDHWBXSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578745550 366542070 /nfs/dbraw/zinc/54/20/70/366542070.db2.gz GBSPIBNNXIZUSP-NWDGAFQWSA-N 1 0 298.346 2.189 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220507 366630615 /nfs/dbraw/zinc/63/06/15/366630615.db2.gz OUDJSICTZXCZRV-LDYMZIIASA-N 1 0 292.257 2.477 20 5 CEBDRO COC1(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000339077425 366642730 /nfs/dbraw/zinc/64/27/30/366642730.db2.gz RNABNQGRAVHNNW-UHFFFAOYSA-N 1 0 291.351 2.307 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000339116461 366659063 /nfs/dbraw/zinc/65/90/63/366659063.db2.gz MALINKGGXAZXBN-NSHDSACASA-N 1 0 252.318 2.054 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000341930055 216157596 /nfs/dbraw/zinc/15/75/96/216157596.db2.gz BMGWLEGDKBFONH-OAHLLOKOSA-N 1 0 292.335 2.358 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177597527 189059667 /nfs/dbraw/zinc/05/96/67/189059667.db2.gz QIWRAAIKLKEOSA-OLZOCXBDSA-N 1 0 291.351 2.197 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218532 216265385 /nfs/dbraw/zinc/26/53/85/216265385.db2.gz IPZCOZXMQIKJQL-HTQZYQBOSA-N 1 0 288.250 2.052 20 5 CEBDRO CC1(C)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181738382 189305725 /nfs/dbraw/zinc/30/57/25/189305725.db2.gz XDAVZYNKGWXHQX-GFCCVEGCSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000083927661 363791604 /nfs/dbraw/zinc/79/16/04/363791604.db2.gz PJGABXMUJKCFRE-SNVBAGLBSA-N 1 0 289.339 2.290 20 5 CEBDRO CN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499089 366786661 /nfs/dbraw/zinc/78/66/61/366786661.db2.gz SLLOHJYHTLCLJT-CQSZACIVSA-N 1 0 275.352 2.266 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1sccc1[N+](=O)[O-] ZINC000302048695 201319384 /nfs/dbraw/zinc/31/93/84/201319384.db2.gz ZIPUFRYODHYCPN-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000088147796 363878963 /nfs/dbraw/zinc/87/89/63/363878963.db2.gz NKTPMQHRYKBGOY-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000093873594 364237343 /nfs/dbraw/zinc/23/73/43/364237343.db2.gz AHTVMNYMEBPZBX-UHFFFAOYSA-N 1 0 280.328 2.043 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094371413 364271714 /nfs/dbraw/zinc/27/17/14/364271714.db2.gz VOYKYMSEIRQPND-ZFWWWQNUSA-N 1 0 292.335 2.023 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000094798372 364297302 /nfs/dbraw/zinc/29/73/02/364297302.db2.gz SSPUEHPGCALWHQ-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942061 364309863 /nfs/dbraw/zinc/30/98/63/364309863.db2.gz KPRNKAUPBLXSPJ-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000193281907 189639234 /nfs/dbraw/zinc/63/92/34/189639234.db2.gz JTUGSPHLOBGUSD-JTQLQIEISA-N 1 0 279.340 2.074 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000115516352 365010424 /nfs/dbraw/zinc/01/04/24/365010424.db2.gz BMUKIRXOCMVYHK-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116268985 365047922 /nfs/dbraw/zinc/04/79/22/365047922.db2.gz SCHBWVGSUSWFLV-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO CC[NH+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334089 365103335 /nfs/dbraw/zinc/10/33/35/365103335.db2.gz WVSPAIAHTMRGTO-UHFFFAOYSA-N 1 0 293.323 2.235 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000119274131 365245201 /nfs/dbraw/zinc/24/52/01/365245201.db2.gz PGVVQNZZNDHMJD-IJLUTSLNSA-N 1 0 266.345 2.206 20 5 CEBDRO CC1(C)CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000119824425 365330493 /nfs/dbraw/zinc/33/04/93/365330493.db2.gz RTOLAUVGGIUJFV-LLVKDONJSA-N 1 0 266.345 2.350 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275799966 193131151 /nfs/dbraw/zinc/13/11/51/193131151.db2.gz DTEFXOKIYKLGPC-JOCQHMNTSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1cccc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000582902757 366974743 /nfs/dbraw/zinc/97/47/43/366974743.db2.gz SYERFEXTRTXJIT-UHFFFAOYSA-N 1 0 298.346 2.294 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302556000 201478732 /nfs/dbraw/zinc/47/87/32/201478732.db2.gz LMNSLTXLAWNKRX-NSHDSACASA-N 1 0 290.367 2.317 20 5 CEBDRO Cc1nc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000161521936 367093405 /nfs/dbraw/zinc/09/34/05/367093405.db2.gz SADDGMFLCSGSBT-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000162854599 367196970 /nfs/dbraw/zinc/19/69/70/367196970.db2.gz HPXXJUWQECSAIK-SECBINFHSA-N 1 0 285.369 2.212 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166136582 367318199 /nfs/dbraw/zinc/31/81/99/367318199.db2.gz RYFADAIQAUEHKS-ONGXEEELSA-N 1 0 295.295 2.018 20 5 CEBDRO Cc1cnc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343530744 367866794 /nfs/dbraw/zinc/86/67/94/367866794.db2.gz OXAMGEOLRZXQGW-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407295 367908170 /nfs/dbraw/zinc/90/81/70/367908170.db2.gz ZINVNKRLNBYPMO-LLVKDONJSA-N 1 0 291.351 2.304 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343587363 367902448 /nfs/dbraw/zinc/90/24/48/367902448.db2.gz FYTBVZGRUIVKDT-LLVKDONJSA-N 1 0 254.334 2.206 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304077081 201629332 /nfs/dbraw/zinc/62/93/32/201629332.db2.gz XKTBCGGXGQSUQE-LLVKDONJSA-N 1 0 258.343 2.153 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345967345 368500652 /nfs/dbraw/zinc/50/06/52/368500652.db2.gz SBGXYGIHAAOUQJ-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184736805 368715523 /nfs/dbraw/zinc/71/55/23/368715523.db2.gz FKQDPUFOMOYMID-QWRGUYRKSA-N 1 0 280.324 2.272 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185368237 368798461 /nfs/dbraw/zinc/79/84/61/368798461.db2.gz YKLGMWBYHXVQLX-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO COCC1=CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185892569 368882539 /nfs/dbraw/zinc/88/25/39/368882539.db2.gz NPHBFJYELILKQS-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO COCC1=CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000185892272 368882569 /nfs/dbraw/zinc/88/25/69/368882569.db2.gz LKDVQVFRTDGDTP-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348161420 368927196 /nfs/dbraw/zinc/92/71/96/368927196.db2.gz NDDXXCWYESRASM-RISCZKNCSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187317305 369137522 /nfs/dbraw/zinc/13/75/22/369137522.db2.gz ZLAQUTRUIYNTNG-BZPMIXESSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+]1CCCC1 ZINC000349036092 369226290 /nfs/dbraw/zinc/22/62/90/369226290.db2.gz MIJRJIBHOULTAB-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000188044248 369283088 /nfs/dbraw/zinc/28/30/88/369283088.db2.gz OOWWZOKQPJZJJP-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234676 369323201 /nfs/dbraw/zinc/32/32/01/369323201.db2.gz DXHKIZYWWPLNFM-JQWIXIFHSA-N 1 0 284.381 2.278 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478768 369362261 /nfs/dbraw/zinc/36/22/61/369362261.db2.gz VPIWQBJTTPBFHC-GHMZBOCLSA-N 1 0 279.340 2.112 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188800667 369410378 /nfs/dbraw/zinc/41/03/78/369410378.db2.gz GHDHURACSQNGII-BXKDBHETSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188801464 369410849 /nfs/dbraw/zinc/41/08/49/369410849.db2.gz PRORUSMBWXALFY-BXUZGUMPSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188799830 369411064 /nfs/dbraw/zinc/41/10/64/369411064.db2.gz KDMSBUDDTGJCMQ-FLBZCCBISA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1c(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000351145272 369612433 /nfs/dbraw/zinc/61/24/33/369612433.db2.gz JMQPAKUYKYPFRP-SNVBAGLBSA-N 1 0 288.307 2.372 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1ccc([N+](=O)[O-])cc1F ZINC000572855819 299406957 /nfs/dbraw/zinc/40/69/57/299406957.db2.gz NJGDRGHHLJEDAH-UHFFFAOYSA-N 1 0 293.342 2.437 20 5 CEBDRO C[C@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524257 193366977 /nfs/dbraw/zinc/36/69/77/193366977.db2.gz CMHOLGPGGIOVBP-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000191720629 369736009 /nfs/dbraw/zinc/73/60/09/369736009.db2.gz CFKVSXQMGWTBQP-HRLNJXSSSA-N 1 0 276.336 2.168 20 5 CEBDRO CCCNC(=O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192608642 369834002 /nfs/dbraw/zinc/83/40/02/369834002.db2.gz TYSMHXRPHHWRBW-AWEZNQCLSA-N 1 0 291.351 2.088 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540437 369778470 /nfs/dbraw/zinc/77/84/70/369778470.db2.gz LALAWBGPOCQQQN-OAHLLOKOSA-N 1 0 275.352 2.170 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352691092 369838693 /nfs/dbraw/zinc/83/86/93/369838693.db2.gz IPWSUKBNBANOKO-SNVBAGLBSA-N 1 0 270.304 2.325 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193465091 369944731 /nfs/dbraw/zinc/94/47/31/369944731.db2.gz GPESDNOVVICWOM-NWDGAFQWSA-N 1 0 278.356 2.462 20 5 CEBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000195507576 370135444 /nfs/dbraw/zinc/13/54/44/370135444.db2.gz IYVFIWDHFDZDSR-VIFPVBQESA-N 1 0 272.374 2.440 20 5 CEBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+](C)C ZINC000195507578 370135563 /nfs/dbraw/zinc/13/55/63/370135563.db2.gz IYVFIWDHFDZDSR-SECBINFHSA-N 1 0 272.374 2.440 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000223071578 370261051 /nfs/dbraw/zinc/26/10/51/370261051.db2.gz DLKSLNADTLEGGV-PWSUYJOCSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031345 370392967 /nfs/dbraw/zinc/39/29/67/370392967.db2.gz JCNHYSMDRYUHOQ-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO C[NH+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887285 370387986 /nfs/dbraw/zinc/38/79/86/370387986.db2.gz YAILWLCIHUISOM-UHFFFAOYSA-N 1 0 259.256 2.237 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354352554 370328662 /nfs/dbraw/zinc/32/86/62/370328662.db2.gz IFYRDTWNMMIYHI-VXGBXAGGSA-N 1 0 278.356 2.299 20 5 CEBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+](C)C ZINC000358874008 371253896 /nfs/dbraw/zinc/25/38/96/371253896.db2.gz VOZBPIRSUCLPHP-LBPRGKRZSA-N 1 0 297.403 2.415 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000235808024 189831136 /nfs/dbraw/zinc/83/11/36/189831136.db2.gz JMNVUBDXSQKXLN-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249370334 371316367 /nfs/dbraw/zinc/31/63/67/371316367.db2.gz AMQSANDHXDDNSP-OPQQBVKSSA-N 1 0 279.340 2.145 20 5 CEBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249592392 371343931 /nfs/dbraw/zinc/34/39/31/371343931.db2.gz VUGCVANEPHSRLA-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359240734 371390911 /nfs/dbraw/zinc/39/09/11/371390911.db2.gz ONZCCMBVLNNCFL-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251547769 371406608 /nfs/dbraw/zinc/40/66/08/371406608.db2.gz PVONFXOMMHKMPU-BNOWGMLFSA-N 1 0 275.352 2.482 20 5 CEBDRO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251923824 371423738 /nfs/dbraw/zinc/42/37/38/371423738.db2.gz SOLHSNLHMUHQKE-SWLSCSKDSA-N 1 0 294.351 2.330 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252549761 371455118 /nfs/dbraw/zinc/45/51/18/371455118.db2.gz OALLJNCCYINZJG-WDEREUQCSA-N 1 0 295.314 2.009 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252760986 371477361 /nfs/dbraw/zinc/47/73/61/371477361.db2.gz MOFUKNHLBDQGBQ-GARJFASQSA-N 1 0 252.314 2.405 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261672299 371697565 /nfs/dbraw/zinc/69/75/65/371697565.db2.gz FZCHYRZWWJHJCD-GXFFZTMASA-N 1 0 277.324 2.441 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)OC ZINC000361574388 371939048 /nfs/dbraw/zinc/93/90/48/371939048.db2.gz VXIGSDLWVWGKTP-NSHDSACASA-N 1 0 282.340 2.460 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CC1CC1)C1CCC1 ZINC000361585957 371951013 /nfs/dbraw/zinc/95/10/13/371951013.db2.gz RNZGIXIMEOHRGO-UHFFFAOYSA-N 1 0 291.351 2.021 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344167677 217083402 /nfs/dbraw/zinc/08/34/02/217083402.db2.gz NQRAEFNENHOCDR-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268535182 372129495 /nfs/dbraw/zinc/12/94/95/372129495.db2.gz XYJGKDKDAUZZDX-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000268852205 372254863 /nfs/dbraw/zinc/25/48/63/372254863.db2.gz HMKLHTFRUBUWHI-DOMZBBRYSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000268901264 372279060 /nfs/dbraw/zinc/27/90/60/372279060.db2.gz MEJZDXLSYZXNOZ-LBPRGKRZSA-N 1 0 288.351 2.439 20 5 CEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000269774965 372562652 /nfs/dbraw/zinc/56/26/52/372562652.db2.gz CXMQYZRRBSHGRJ-UHFFFAOYSA-N 1 0 270.354 2.393 20 5 CEBDRO COCC1(O)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270353694 372753485 /nfs/dbraw/zinc/75/34/85/372753485.db2.gz ILPHLDQTUYFBDG-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344603028 217244910 /nfs/dbraw/zinc/24/49/10/217244910.db2.gz JPNBYEPKCLNXDI-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)C[C@H]2C)c1 ZINC000270501736 372815027 /nfs/dbraw/zinc/81/50/27/372815027.db2.gz WILQOYGPKPBSQK-VXGBXAGGSA-N 1 0 291.351 2.068 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000270565449 372846013 /nfs/dbraw/zinc/84/60/13/372846013.db2.gz MWEUMKPCLBTKPN-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270688335 372901454 /nfs/dbraw/zinc/90/14/54/372901454.db2.gz WWHWBTSIBCTDNL-KGLIPLIRSA-N 1 0 295.408 2.072 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270848104 372981466 /nfs/dbraw/zinc/98/14/66/372981466.db2.gz GEHXVNCOBOACOO-MISXGVKJSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270859377 372985496 /nfs/dbraw/zinc/98/54/96/372985496.db2.gz HXPWGTNZKBRJPC-FZMZJTMJSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO ZINC000271156459 373149719 /nfs/dbraw/zinc/14/97/19/373149719.db2.gz RFPCYGCHQHSFCG-JTQLQIEISA-N 1 0 270.354 2.047 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272070211 373291694 /nfs/dbraw/zinc/29/16/94/373291694.db2.gz FFJXCYVETXEWAI-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000370046313 373564853 /nfs/dbraw/zinc/56/48/53/373564853.db2.gz QTUYCZPBXSBOOU-NSHDSACASA-N 1 0 264.329 2.093 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272654032 373602391 /nfs/dbraw/zinc/60/23/91/373602391.db2.gz ZYEREJDDZRIVHP-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000274123071 373817879 /nfs/dbraw/zinc/81/78/79/373817879.db2.gz VJHYJSNHQDVKFL-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248343319 189947184 /nfs/dbraw/zinc/94/71/84/189947184.db2.gz KDAKESSCCVTWTJ-DYEKYZERSA-N 1 0 294.351 2.065 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CCC2)C1 ZINC000373407553 374345377 /nfs/dbraw/zinc/34/53/77/374345377.db2.gz URLSZBYEEVXXGM-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000277394497 374503370 /nfs/dbraw/zinc/50/33/70/374503370.db2.gz XWPBLKNIQOYMCL-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277779056 374642901 /nfs/dbraw/zinc/64/29/01/374642901.db2.gz MDAVAMYERGRZKJ-UHFFFAOYSA-N 1 0 289.339 2.002 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000277789660 374646556 /nfs/dbraw/zinc/64/65/56/374646556.db2.gz FSPWHDASKISQSV-SECBINFHSA-N 1 0 299.758 2.237 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000382458027 375186376 /nfs/dbraw/zinc/18/63/76/375186376.db2.gz LAXXWLQZQIHCJZ-RKDXNWHRSA-N 1 0 270.720 2.325 20 5 CEBDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567716 375188873 /nfs/dbraw/zinc/18/88/73/375188873.db2.gz OTLJURANKVEYHR-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000387683625 375278822 /nfs/dbraw/zinc/27/88/22/375278822.db2.gz STQYVTRMWQYVAI-LBPRGKRZSA-N 1 0 293.367 2.235 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CN(C)C)CCC1 ZINC000282326769 375457744 /nfs/dbraw/zinc/45/77/44/375457744.db2.gz UDMYIVYVPIYCKW-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO CC[N@H+](CCOCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000282108173 375404734 /nfs/dbraw/zinc/40/47/34/375404734.db2.gz PTLMCVZMYGSWLY-CYBMUJFWSA-N 1 0 296.367 2.295 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282386167 375471500 /nfs/dbraw/zinc/47/15/00/375471500.db2.gz ORJKKPQPAZYFOG-GLQYFDAESA-N 1 0 294.351 2.128 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283764527 375757905 /nfs/dbraw/zinc/75/79/05/375757905.db2.gz NPFVCMJANXYTGB-GFCCVEGCSA-N 1 0 292.383 2.345 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000414653294 375902279 /nfs/dbraw/zinc/90/22/79/375902279.db2.gz DZXLLHAEAUXSCU-QWRGUYRKSA-N 1 0 292.339 2.117 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585577 375868852 /nfs/dbraw/zinc/86/88/52/375868852.db2.gz UEQFIGANNADLEV-QWHCGFSZSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000414821493 376008096 /nfs/dbraw/zinc/00/80/96/376008096.db2.gz CGOKBFSJRLNAJS-OCCSQVGLSA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414803636 375989645 /nfs/dbraw/zinc/98/96/45/375989645.db2.gz MEJWTOVQLLEHGI-UHFFFAOYSA-N 1 0 289.282 2.023 20 5 CEBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263666935 190072314 /nfs/dbraw/zinc/07/23/14/190072314.db2.gz BWTNVUOJQXSFLZ-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO COCCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000419377053 376447357 /nfs/dbraw/zinc/44/73/57/376447357.db2.gz AQVQEHYVAMYNCP-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000305841577 376516011 /nfs/dbraw/zinc/51/60/11/376516011.db2.gz RGDQFJZTTNBBFF-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000289917567 376557198 /nfs/dbraw/zinc/55/71/98/376557198.db2.gz SEBUGGOXJMMNLT-UHFFFAOYSA-N 1 0 284.366 2.149 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887410 376530875 /nfs/dbraw/zinc/53/08/75/376530875.db2.gz YWAWHLVEDVELDU-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]1 ZINC000420244914 376654646 /nfs/dbraw/zinc/65/46/46/376654646.db2.gz YWZJVYSRMXYRHU-GFCCVEGCSA-N 1 0 279.340 2.295 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000312679096 376724412 /nfs/dbraw/zinc/72/44/12/376724412.db2.gz KOYDOMQFPMSHTB-JTQLQIEISA-N 1 0 280.328 2.234 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000420963858 376748961 /nfs/dbraw/zinc/74/89/61/376748961.db2.gz OJAJVTXWEROIGN-CYBMUJFWSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1cc(C)c(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290754103 376908893 /nfs/dbraw/zinc/90/88/93/376908893.db2.gz JASVGVWNBPDUNN-ZDUSSCGKSA-N 1 0 294.351 2.046 20 5 CEBDRO CC[NH2+]CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423236359 377154775 /nfs/dbraw/zinc/15/47/75/377154775.db2.gz CALJJHVQSJAIPT-CYBMUJFWSA-N 1 0 251.330 2.245 20 5 CEBDRO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267014 377184604 /nfs/dbraw/zinc/18/46/04/377184604.db2.gz DOIGTKQCANKYLS-MNOVXSKESA-N 1 0 251.330 2.101 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423281690 377210299 /nfs/dbraw/zinc/21/02/99/377210299.db2.gz UKIKYXJVNCGLLP-NSHDSACASA-N 1 0 291.351 2.209 20 5 CEBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331133933 377295570 /nfs/dbraw/zinc/29/55/70/377295570.db2.gz RHNSPNWJRPTUNS-WCQYABFASA-N 1 0 296.371 2.012 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000292978462 377378248 /nfs/dbraw/zinc/37/82/48/377378248.db2.gz BBXPLKIMLLPROR-CQSZACIVSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292983922 377381123 /nfs/dbraw/zinc/38/11/23/377381123.db2.gz LKZCYOBMZGHQIU-SKDRFNHKSA-N 1 0 270.354 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000332200518 377539531 /nfs/dbraw/zinc/53/95/31/377539531.db2.gz DESNSXYSQRITRX-YDHLFZDLSA-N 1 0 276.336 2.188 20 5 CEBDRO CCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430916237 377563190 /nfs/dbraw/zinc/56/31/90/377563190.db2.gz GYAMASMWNKFNEA-NSHDSACASA-N 1 0 281.331 2.308 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCCO)C2CC2)c1 ZINC000265479075 190185574 /nfs/dbraw/zinc/18/55/74/190185574.db2.gz KDMWKGQRZRGNIB-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)CO ZINC000293533711 377614112 /nfs/dbraw/zinc/61/41/12/377614112.db2.gz XGUPEZHAZDEUOQ-JTQLQIEISA-N 1 0 252.314 2.106 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000265807130 190208619 /nfs/dbraw/zinc/20/86/19/190208619.db2.gz IXNQRQZUQVCNRM-LBPRGKRZSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583720 377640553 /nfs/dbraw/zinc/64/05/53/377640553.db2.gz FAFJOJPRGDMFLU-WDEREUQCSA-N 1 0 280.372 2.168 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC1(C)C ZINC000293577552 377638989 /nfs/dbraw/zinc/63/89/89/377638989.db2.gz DTLPWJUEBWQMGW-CYBMUJFWSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000566066258 377717875 /nfs/dbraw/zinc/71/78/75/377717875.db2.gz JNKDFBHWNCEOII-OCCSQVGLSA-N 1 0 292.335 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC(F)F ZINC000566867531 377778514 /nfs/dbraw/zinc/77/85/14/377778514.db2.gz ZVGLVNRIJFNTMF-NSHDSACASA-N 1 0 286.278 2.453 20 5 CEBDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293837802 377780962 /nfs/dbraw/zinc/78/09/62/377780962.db2.gz SSZQZPFDHYHVAQ-VIFPVBQESA-N 1 0 265.313 2.007 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768056 377748942 /nfs/dbraw/zinc/74/89/42/377748942.db2.gz RWIZKODKGMDDIG-LKFCYVNXSA-N 1 0 279.340 2.253 20 5 CEBDRO C[C@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432420806 377761220 /nfs/dbraw/zinc/76/12/20/377761220.db2.gz MSLMZBGRCPSNIO-IFQILLTASA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000567488418 377828391 /nfs/dbraw/zinc/82/83/91/377828391.db2.gz RFXDAZIEHMWSPS-GFCCVEGCSA-N 1 0 286.335 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442919512 378017346 /nfs/dbraw/zinc/01/73/46/378017346.db2.gz JKNBYTXEUQTACU-CYBMUJFWSA-N 1 0 277.368 2.464 20 5 CEBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000447066888 378089735 /nfs/dbraw/zinc/08/97/35/378089735.db2.gz GQFZUEHZCQQOPF-HNNXBMFYSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295739021 378284828 /nfs/dbraw/zinc/28/48/28/378284828.db2.gz ORXNUHHJCSQNNT-CMPLNLGQSA-N 1 0 266.366 2.478 20 5 CEBDRO CCC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484081 378443850 /nfs/dbraw/zinc/44/38/50/378443850.db2.gz KLXFOQKNBDBPIO-AWEZNQCLSA-N 1 0 264.325 2.114 20 5 CEBDRO CCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299326973 378965177 /nfs/dbraw/zinc/96/51/77/378965177.db2.gz BDDIYNGWHZBKEE-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278615826 194069139 /nfs/dbraw/zinc/06/91/39/194069139.db2.gz FYUBIFHUIIRHSD-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000266594859 190269515 /nfs/dbraw/zinc/26/95/15/190269515.db2.gz ARMZZPFWXWBCOM-AWEZNQCLSA-N 1 0 282.340 2.364 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000517127867 379345776 /nfs/dbraw/zinc/34/57/76/379345776.db2.gz QHSPHNPDZYHJFX-NSHDSACASA-N 1 0 292.257 2.040 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCCN(c2ccccn2)CC1 ZINC000302234862 379339202 /nfs/dbraw/zinc/33/92/02/379339202.db2.gz UOPFKDRXXSIIQV-UHFFFAOYSA-N 1 0 299.334 2.102 20 5 CEBDRO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000520638162 379497943 /nfs/dbraw/zinc/49/79/43/379497943.db2.gz PYMUZULTBSBOOS-SNVBAGLBSA-N 1 0 277.324 2.184 20 5 CEBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835722 190283457 /nfs/dbraw/zinc/28/34/57/190283457.db2.gz JXQXCSMRJPTNPC-RYUDHWBXSA-N 1 0 278.356 2.217 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000267008372 190296385 /nfs/dbraw/zinc/29/63/85/190296385.db2.gz GQPOPBFLCAGNPD-UHFFFAOYSA-N 1 0 293.342 2.262 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020829 190297292 /nfs/dbraw/zinc/29/72/92/190297292.db2.gz KEYUKTXVKGUTTD-NSHDSACASA-N 1 0 281.331 2.117 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000305151759 379662420 /nfs/dbraw/zinc/66/24/20/379662420.db2.gz AJNFTYQFYBNPLU-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[NH+](CC)CCOCCNc1nccc(C)c1[N+](=O)[O-] ZINC000347864104 218381491 /nfs/dbraw/zinc/38/14/91/218381491.db2.gz YFLIRQTUTNQJNX-UHFFFAOYSA-N 1 0 296.371 2.069 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000458201950 380041693 /nfs/dbraw/zinc/04/16/93/380041693.db2.gz WSSHWXQPCSZZHW-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334042235 380219695 /nfs/dbraw/zinc/21/96/95/380219695.db2.gz IRMCKWFMHFNQDY-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCOC1 ZINC000288339071 197054739 /nfs/dbraw/zinc/05/47/39/197054739.db2.gz BEMGRIPILBYQFR-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO O=C(CC[NH2+]Cc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000548761448 380558450 /nfs/dbraw/zinc/55/84/50/380558450.db2.gz DKRUDWYRHSPDSO-UHFFFAOYSA-N 1 0 289.291 2.306 20 5 CEBDRO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826122 380568171 /nfs/dbraw/zinc/56/81/71/380568171.db2.gz WESIBVAYJRZIGF-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000289132421 197243098 /nfs/dbraw/zinc/24/30/98/197243098.db2.gz XXQSTICJXUQCBO-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO CCC(CC)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000289507566 197382309 /nfs/dbraw/zinc/38/23/09/197382309.db2.gz UVNJJRHXYSBKNN-UHFFFAOYSA-N 1 0 254.334 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000350396941 219014661 /nfs/dbraw/zinc/01/46/61/219014661.db2.gz XTIAWUQKRJMOER-WFASDCNBSA-N 1 0 277.368 2.476 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000353890158 220391243 /nfs/dbraw/zinc/39/12/43/220391243.db2.gz CNDYLIUMLPIOKZ-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372461122 285163993 /nfs/dbraw/zinc/16/39/93/285163993.db2.gz ZDIKDVOQJXNMOM-LBPRGKRZSA-N 1 0 293.392 2.222 20 5 CEBDRO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281306026 195189524 /nfs/dbraw/zinc/18/95/24/195189524.db2.gz HTJPFWKUYXVMGH-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633666 184699116 /nfs/dbraw/zinc/69/91/16/184699116.db2.gz BVYYSSHBGBHPLK-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1([NH3+])CCC1 ZINC000094294001 184777357 /nfs/dbraw/zinc/77/73/57/184777357.db2.gz LRCVOAGJZSKVFV-UHFFFAOYSA-N 1 0 263.297 2.113 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189305067 129951154 /nfs/dbraw/zinc/95/11/54/129951154.db2.gz NMRNGYZISOCQDP-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)cs1 ZINC000189958697 130043691 /nfs/dbraw/zinc/04/36/91/130043691.db2.gz FQYAHBPBEPPGIB-MNOVXSKESA-N 1 0 270.354 2.297 20 5 CEBDRO CO[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191138902 130187990 /nfs/dbraw/zinc/18/79/90/130187990.db2.gz HTTKEIWHAXDWHC-OKPNEXGHSA-N 1 0 250.298 2.233 20 5 CEBDRO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000261601835 131155583 /nfs/dbraw/zinc/15/55/83/131155583.db2.gz BVPLPRKTDLHUKN-YPMHNXCESA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000262976863 131276845 /nfs/dbraw/zinc/27/68/45/131276845.db2.gz YGURGMCDCVPNTL-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000262976868 131277055 /nfs/dbraw/zinc/27/70/55/131277055.db2.gz YGURGMCDCVPNTL-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C3CCCC3)C2)n1 ZINC000420961963 394456425 /nfs/dbraw/zinc/45/64/25/394456425.db2.gz JRYZNUMUYRQSHY-ZDUSSCGKSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421370275 394514383 /nfs/dbraw/zinc/51/43/83/394514383.db2.gz IDLPRKODZNUAAI-YPMHNXCESA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1 ZINC000048775684 394529572 /nfs/dbraw/zinc/52/95/72/394529572.db2.gz VGJLWYRLMCEXNI-UHFFFAOYSA-N 1 0 275.352 2.122 20 5 CEBDRO C[N@H+](CCCCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000413347930 394532243 /nfs/dbraw/zinc/53/22/43/394532243.db2.gz MIFWCWSVUVMPBI-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CCc1nn(C)c(NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413436917 394551289 /nfs/dbraw/zinc/55/12/89/394551289.db2.gz JLIAAJPOKOLZRU-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)C1CCCC1 ZINC000091557626 394657772 /nfs/dbraw/zinc/65/77/72/394657772.db2.gz PRCRKPAMBOPHHT-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421856601 394618073 /nfs/dbraw/zinc/61/80/73/394618073.db2.gz NPZVHMGIZJVWIT-NSHDSACASA-N 1 0 291.351 2.209 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332687716 394638927 /nfs/dbraw/zinc/63/89/27/394638927.db2.gz UTKXYUVCYKQJRR-VHSXEESVSA-N 1 0 252.318 2.091 20 5 CEBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1C[NH2+]C1 ZINC000357046012 394691713 /nfs/dbraw/zinc/69/17/13/394691713.db2.gz IIMTVPPVKYAADG-UHFFFAOYSA-N 1 0 287.319 2.258 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270107106 394726127 /nfs/dbraw/zinc/72/61/27/394726127.db2.gz MBXBAKZUHQXINV-TZMCWYRMSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH3+])CC(C)C ZINC000414830632 394758821 /nfs/dbraw/zinc/75/88/21/394758821.db2.gz BGFQJUGDHGBYBO-ZDUSSCGKSA-N 1 0 265.357 2.366 20 5 CEBDRO Cc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414905252 394797891 /nfs/dbraw/zinc/79/78/91/394797891.db2.gz OFUOOSZYCCFIEC-OAHLLOKOSA-N 1 0 277.368 2.383 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769491 394750511 /nfs/dbraw/zinc/75/05/11/394750511.db2.gz WQRFZLJRFUQSCS-CQSZACIVSA-N 1 0 279.384 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCCC[NH2+]C2CC2)c(Cl)c1 ZINC000415072209 394875567 /nfs/dbraw/zinc/87/55/67/394875567.db2.gz VNBUOYJHIRAFBT-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422847929 394826463 /nfs/dbraw/zinc/82/64/63/394826463.db2.gz AESIGOHSGMKERG-YPMHNXCESA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415013110 394849517 /nfs/dbraw/zinc/84/95/17/394849517.db2.gz KCADZWQGIPLYAO-HTQZYQBOSA-N 1 0 257.721 2.074 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415448156 394933686 /nfs/dbraw/zinc/93/36/86/394933686.db2.gz XNBYKIJMCXUCIA-ZYHUDNBSSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415496777 394938232 /nfs/dbraw/zinc/93/82/32/394938232.db2.gz GYTFGOSDKPPRAF-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415581226 394945890 /nfs/dbraw/zinc/94/58/90/394945890.db2.gz NDEHPJGWVUWIJB-ZJUUUORDSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415581228 394945930 /nfs/dbraw/zinc/94/59/30/394945930.db2.gz NDHCAGXFCKHGEY-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000286868272 395030499 /nfs/dbraw/zinc/03/04/99/395030499.db2.gz NHHTXOZOIOCLQC-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618408 395023455 /nfs/dbraw/zinc/02/34/55/395023455.db2.gz XWCJNPZOJKGKBK-BXUZGUMPSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285859129 394974278 /nfs/dbraw/zinc/97/42/78/394974278.db2.gz ILQFZTHRRDOBSD-KOLCDFICSA-N 1 0 252.339 2.436 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494238305 395102239 /nfs/dbraw/zinc/10/22/39/395102239.db2.gz PXVZHEGYQGGQCV-TVQRCGJNSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000289912505 395090739 /nfs/dbraw/zinc/09/07/39/395090739.db2.gz UVENBELLQLBHRE-NSHDSACASA-N 1 0 268.313 2.118 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000287483622 395042528 /nfs/dbraw/zinc/04/25/28/395042528.db2.gz SKIMHGIOODWYOB-NSHDSACASA-N 1 0 252.314 2.188 20 5 CEBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000348574050 395146983 /nfs/dbraw/zinc/14/69/83/395146983.db2.gz ZSBQHNOQEOYHAA-INIZCTEOSA-N 1 0 291.395 2.409 20 5 CEBDRO COc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292742089 395204781 /nfs/dbraw/zinc/20/47/81/395204781.db2.gz IWPKHYOMHYJYOY-PHIMTYICSA-N 1 0 279.340 2.132 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473243 395299825 /nfs/dbraw/zinc/29/98/25/395299825.db2.gz ZRFUWGSWFQERLO-WDEREUQCSA-N 1 0 294.330 2.192 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420628611 395393218 /nfs/dbraw/zinc/39/32/18/395393218.db2.gz BGGZAVIXMWNYPZ-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330375 395330682 /nfs/dbraw/zinc/33/06/82/395330682.db2.gz IAEGOSOXEZBART-JSGCOSHPSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330373 395331219 /nfs/dbraw/zinc/33/12/19/395331219.db2.gz IAEGOSOXEZBART-GXTWGEPZSA-N 1 0 293.367 2.033 20 5 CEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000434960316 395341203 /nfs/dbraw/zinc/34/12/03/395341203.db2.gz RHAXRTZSCUXHDB-NSHDSACASA-N 1 0 296.758 2.316 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000420360001 395345888 /nfs/dbraw/zinc/34/58/88/395345888.db2.gz GOUBAAZPZFQRCW-PTRXPTGYSA-N 1 0 269.370 2.132 20 5 CEBDRO COc1cccc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000355417775 395443124 /nfs/dbraw/zinc/44/31/24/395443124.db2.gz VABSMQUTCGHQEQ-LBPRGKRZSA-N 1 0 279.340 2.356 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)CC(F)F ZINC000566476241 395528986 /nfs/dbraw/zinc/52/89/86/395528986.db2.gz VJGBJSLFLIMSQI-KWQFWETISA-N 1 0 286.278 2.188 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449430163 395548203 /nfs/dbraw/zinc/54/82/03/395548203.db2.gz WXKRMVUVSHKSEK-BZPMIXESSA-N 1 0 278.352 2.276 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000450797610 395578023 /nfs/dbraw/zinc/57/80/23/395578023.db2.gz UIRNHQBMZNJHLP-SKDRFNHKSA-N 1 0 281.743 2.389 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120264 395666552 /nfs/dbraw/zinc/66/65/52/395666552.db2.gz JCPIGCOTZDCSIT-PHIMTYICSA-N 1 0 294.355 2.370 20 5 CEBDRO CC(C)[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293220441 400322621 /nfs/dbraw/zinc/32/26/21/400322621.db2.gz GSVPZNURISDAQS-CYBMUJFWSA-N 1 0 266.341 2.436 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000341132924 400365608 /nfs/dbraw/zinc/36/56/08/400365608.db2.gz WFNPYWXWJRMGDW-JTQLQIEISA-N 1 0 283.376 2.169 20 5 CEBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360048219 155203463 /nfs/dbraw/zinc/20/34/63/155203463.db2.gz RXXBKOIFAFRHEN-NSHDSACASA-N 1 0 281.331 2.430 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000268281060 289263339 /nfs/dbraw/zinc/26/33/39/289263339.db2.gz RMVNYGUAXGPRAT-AULYBMBSSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000192466845 153208847 /nfs/dbraw/zinc/20/88/47/153208847.db2.gz QSNVKUMPVLIRTF-LLVKDONJSA-N 1 0 296.396 2.364 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000192523553 153212121 /nfs/dbraw/zinc/21/21/21/153212121.db2.gz WJSWZAIATYRSDD-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000193525716 153235939 /nfs/dbraw/zinc/23/59/39/153235939.db2.gz VWSOWJGLKQAHNO-UHFFFAOYSA-N 1 0 292.339 2.073 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170877 153292492 /nfs/dbraw/zinc/29/24/92/153292492.db2.gz FFXIKASICOUXJW-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044416 153355082 /nfs/dbraw/zinc/35/50/82/153355082.db2.gz XXCPAJRPVHIWDV-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cs1 ZINC000230667240 153398297 /nfs/dbraw/zinc/39/82/97/153398297.db2.gz AMUXYIREFOYAQD-KOLCDFICSA-N 1 0 270.354 2.297 20 5 CEBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000263243001 154040211 /nfs/dbraw/zinc/04/02/11/154040211.db2.gz LUDRVYJJYDZSNY-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000367622348 156217630 /nfs/dbraw/zinc/21/76/30/156217630.db2.gz GTHYNRDFNNWGBF-DOERSZECSA-N 1 0 276.336 2.446 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)c1 ZINC000376078999 157181498 /nfs/dbraw/zinc/18/14/98/157181498.db2.gz GBYZXRFCWMXFBG-RYUDHWBXSA-N 1 0 296.396 2.181 20 5 CEBDRO C[C@H]1COCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376502739 157237576 /nfs/dbraw/zinc/23/75/76/157237576.db2.gz YLRDAIVOXYQAAQ-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000174844878 165120148 /nfs/dbraw/zinc/12/01/48/165120148.db2.gz FGSAILZUUPIWAW-ZDUSSCGKSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248232 165160326 /nfs/dbraw/zinc/16/03/26/165160326.db2.gz JOXKBHSZZWVMRE-LBPRGKRZSA-N 1 0 266.345 2.303 20 5 CEBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008130538 170320135 /nfs/dbraw/zinc/32/01/35/170320135.db2.gz YFQKQHYSNFNHIK-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000019803125 170871765 /nfs/dbraw/zinc/87/17/65/170871765.db2.gz LIAIBDNPRHVJQQ-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000285266920 196236467 /nfs/dbraw/zinc/23/64/67/196236467.db2.gz DKQPLUVNKBBTGF-XBXGTLAGSA-N 1 0 280.324 2.083 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285297317 196244532 /nfs/dbraw/zinc/24/45/32/196244532.db2.gz LRUFWQVTWSCTEO-LBPRGKRZSA-N 1 0 288.294 2.370 20 5 CEBDRO COC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037308526 173111257 /nfs/dbraw/zinc/11/12/57/173111257.db2.gz IPBCLCMREIYUAI-JTQLQIEISA-N 1 0 266.297 2.117 20 5 CEBDRO COC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037394485 173174345 /nfs/dbraw/zinc/17/43/45/173174345.db2.gz DLDCPOVPLVWKAL-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037395892 173176247 /nfs/dbraw/zinc/17/62/47/173176247.db2.gz XMORDXHVPFJKTQ-UHFFFAOYSA-N 1 0 265.313 2.312 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000040458747 174269018 /nfs/dbraw/zinc/26/90/18/174269018.db2.gz WVLLBTKXRURRDE-LLVKDONJSA-N 1 0 265.313 2.215 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000044417536 175173402 /nfs/dbraw/zinc/17/34/02/175173402.db2.gz CHMMXVVEIWTKQS-LBPRGKRZSA-N 1 0 250.298 2.254 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000044534324 175197302 /nfs/dbraw/zinc/19/73/02/175197302.db2.gz IOPHYIKDXLXESS-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000044537921 175199519 /nfs/dbraw/zinc/19/95/19/175199519.db2.gz YZDWKBPEIKULIV-SECBINFHSA-N 1 0 295.368 2.058 20 5 CEBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071330280 176124392 /nfs/dbraw/zinc/12/43/92/176124392.db2.gz TUFYBRVHHTUYFC-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071330310 176124574 /nfs/dbraw/zinc/12/45/74/176124574.db2.gz KXBSSJNRCUHNBH-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959535 270224561 /nfs/dbraw/zinc/22/45/61/270224561.db2.gz TXFXUMAHNOHRLH-WDEREUQCSA-N 1 0 279.340 2.160 20 5 CEBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237137829 270320003 /nfs/dbraw/zinc/32/00/03/270320003.db2.gz ZSDGYJZVERKKPG-GXFFZTMASA-N 1 0 291.351 2.109 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487622 270334450 /nfs/dbraw/zinc/33/44/50/270334450.db2.gz VEAINISZIVDHJV-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396928174 270350286 /nfs/dbraw/zinc/35/02/86/270350286.db2.gz NJPXFWNLTLVYQK-NSHDSACASA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399411864 270370381 /nfs/dbraw/zinc/37/03/81/270370381.db2.gz CJQQPUNSEUXCRQ-JOYOIKCWSA-N 1 0 265.313 2.153 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000420269586 270500244 /nfs/dbraw/zinc/50/02/44/270500244.db2.gz IIILNBTZNBNECE-VXGBXAGGSA-N 1 0 263.341 2.387 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000421853651 270672175 /nfs/dbraw/zinc/67/21/75/270672175.db2.gz JHTIOBHVTPUZFA-LLVKDONJSA-N 1 0 291.351 2.209 20 5 CEBDRO CC[NH2+]CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423236360 270879905 /nfs/dbraw/zinc/87/99/05/270879905.db2.gz CALJJHVQSJAIPT-ZDUSSCGKSA-N 1 0 251.330 2.245 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000424413158 271052444 /nfs/dbraw/zinc/05/24/44/271052444.db2.gz CIERIZKTEOBDAA-VXGBXAGGSA-N 1 0 296.302 2.125 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000430227951 271365172 /nfs/dbraw/zinc/36/51/72/271365172.db2.gz QTKJCBPNSVAHPK-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000435290531 271625301 /nfs/dbraw/zinc/62/53/01/271625301.db2.gz RAQHEACKSZNLOH-GXSJLCMTSA-N 1 0 296.298 2.165 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000359200102 273622982 /nfs/dbraw/zinc/62/29/82/273622982.db2.gz AEIQGBBFFYBUEB-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)[NH+](C)C ZINC000341746194 274000692 /nfs/dbraw/zinc/00/06/92/274000692.db2.gz TYBTWJKEVFKJKZ-JTQLQIEISA-N 1 0 295.339 2.052 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1C ZINC000262765892 274420516 /nfs/dbraw/zinc/42/05/16/274420516.db2.gz JEPYLBOKCINVPG-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO CC[N@H+](C)[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000302819188 276078669 /nfs/dbraw/zinc/07/86/69/276078669.db2.gz JHPZGTWADHHAKQ-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@H+](C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000186338964 276304825 /nfs/dbraw/zinc/30/48/25/276304825.db2.gz DUWYJYIKTXJJDE-VAWYXSNFSA-N 1 0 291.351 2.066 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375050740 277179035 /nfs/dbraw/zinc/17/90/35/277179035.db2.gz SKHCZFRBIVHJFD-CABZTGNLSA-N 1 0 296.758 2.174 20 5 CEBDRO COc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289774959 278094533 /nfs/dbraw/zinc/09/45/33/278094533.db2.gz JZRRUACNPBLPIY-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228077249 278297947 /nfs/dbraw/zinc/29/79/47/278297947.db2.gz RBTBOMIVXXZFTA-DCAQKATOSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984171 278343072 /nfs/dbraw/zinc/34/30/72/278343072.db2.gz GLQDDCVWNXVQIC-SMDDNHRTSA-N 1 0 263.341 2.154 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794137 288057388 /nfs/dbraw/zinc/05/73/88/288057388.db2.gz HXZLPIRWDGSRRD-GWCFXTLKSA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000038087966 279348511 /nfs/dbraw/zinc/34/85/11/279348511.db2.gz MFORFEWTYKYCDG-MNOVXSKESA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@H](F)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000351731267 279390265 /nfs/dbraw/zinc/39/02/65/279390265.db2.gz UNEQNWDSWVDOTC-VIFPVBQESA-N 1 0 253.277 2.096 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000185440796 279433168 /nfs/dbraw/zinc/43/31/68/279433168.db2.gz XGYIXMHVWIJXAL-UHFFFAOYSA-N 1 0 296.327 2.279 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000121818808 279773576 /nfs/dbraw/zinc/77/35/76/279773576.db2.gz GTNUOJXMTGRYMX-GFCCVEGCSA-N 1 0 293.367 2.469 20 5 CEBDRO CSCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000134213778 280015405 /nfs/dbraw/zinc/01/54/05/280015405.db2.gz RIRCRGSGFKXKQW-JTQLQIEISA-N 1 0 297.380 2.217 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189314220 280048728 /nfs/dbraw/zinc/04/87/28/280048728.db2.gz QAHFCOZSGOEMBF-LDYMZIIASA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000261546792 280100086 /nfs/dbraw/zinc/10/00/86/280100086.db2.gz HIQXEPXDDQLXNB-CBAPKCEASA-N 1 0 255.705 2.174 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248444451 280347329 /nfs/dbraw/zinc/34/73/29/280347329.db2.gz GAJKOAWTXVOJFZ-VXGBXAGGSA-N 1 0 282.340 2.065 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCOC2)n1 ZINC000343920064 280377506 /nfs/dbraw/zinc/37/75/06/280377506.db2.gz CSJLLQNGZRYWJD-FRRDWIJNSA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000261947274 280660411 /nfs/dbraw/zinc/66/04/11/280660411.db2.gz FMKWYCQJISSDGE-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000356794845 281012226 /nfs/dbraw/zinc/01/22/26/281012226.db2.gz NNJAROJZOVIYIA-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000272365442 281021867 /nfs/dbraw/zinc/02/18/67/281021867.db2.gz SWSJFDZZTQXCME-JQWIXIFHSA-N 1 0 250.298 2.031 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423514218 281059407 /nfs/dbraw/zinc/05/94/07/281059407.db2.gz SNMHTZFHUSYYOJ-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCOCC3)nc2c1 ZINC000446852311 281787289 /nfs/dbraw/zinc/78/72/89/281787289.db2.gz JELHZKHJKKUOJS-SNVBAGLBSA-N 1 0 290.323 2.130 20 5 CEBDRO Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000276964191 281925076 /nfs/dbraw/zinc/92/50/76/281925076.db2.gz CYYUSMJKVYCXHD-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131974078 288688500 /nfs/dbraw/zinc/68/85/00/288688500.db2.gz FVRPRZPEEIYAIG-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963668 290046930 /nfs/dbraw/zinc/04/69/30/290046930.db2.gz REWPPHCKZACSLO-JQWIXIFHSA-N 1 0 250.298 2.424 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149442982 295271005 /nfs/dbraw/zinc/27/10/05/295271005.db2.gz CFFNLEMAWIHVNS-APPZFPTMSA-N 1 0 270.720 2.183 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000215999162 297249925 /nfs/dbraw/zinc/24/99/25/297249925.db2.gz DVFZGMWHAGZZNU-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[NH2+]CCSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000515350260 297571834 /nfs/dbraw/zinc/57/18/34/297571834.db2.gz QJXOOJNDKZEDNR-UHFFFAOYSA-N 1 0 262.281 2.326 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518795887 297631001 /nfs/dbraw/zinc/63/10/01/297631001.db2.gz IHNVIPNCGALOTK-ZDUSSCGKSA-N 1 0 291.351 2.088 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)C(C)C ZINC000536862396 298206154 /nfs/dbraw/zinc/20/61/54/298206154.db2.gz HOJRAQKWENTJMC-GFCCVEGCSA-N 1 0 293.367 2.326 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746920 299020900 /nfs/dbraw/zinc/02/09/00/299020900.db2.gz BSEULLNOKGAGME-TZMCWYRMSA-N 1 0 264.325 2.189 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530627727 313300974 /nfs/dbraw/zinc/30/09/74/313300974.db2.gz RACAUBCWDOZWRD-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571203979 314077849 /nfs/dbraw/zinc/07/78/49/314077849.db2.gz DBEYUTWSKHDNDD-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO [NH3+]CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000571276716 314081177 /nfs/dbraw/zinc/08/11/77/314081177.db2.gz MDIWZPVYLXJCBS-UHFFFAOYSA-N 1 0 289.335 2.003 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293224 314082970 /nfs/dbraw/zinc/08/29/70/314082970.db2.gz LVVSGLUOHHOIPM-GHMZBOCLSA-N 1 0 294.330 2.192 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]12 ZINC000573098923 314141072 /nfs/dbraw/zinc/14/10/72/314141072.db2.gz TVNDRCTVLWTCBB-FRRDWIJNSA-N 1 0 298.346 2.317 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000577260226 314357801 /nfs/dbraw/zinc/35/78/01/314357801.db2.gz KQTWJJICLJAOSX-AGIUHOORSA-N 1 0 296.371 2.026 20 5 CEBDRO C=Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000577338677 314364122 /nfs/dbraw/zinc/36/41/22/314364122.db2.gz AHCYJENAUSPNDG-UHFFFAOYSA-N 1 0 288.307 2.060 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000583544878 322552421 /nfs/dbraw/zinc/55/24/21/322552421.db2.gz KKDIBMPNBICTAQ-OAHLLOKOSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417351428 534254423 /nfs/dbraw/zinc/25/44/23/534254423.db2.gz CNVHRVGLSBGABR-LBPRGKRZSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294319980 518183459 /nfs/dbraw/zinc/18/34/59/518183459.db2.gz OHPKBNZXUADGNG-GWCFXTLKSA-N 1 0 293.367 2.379 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000414649623 534340810 /nfs/dbraw/zinc/34/08/10/534340810.db2.gz ADYUVFJMTBSDEN-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO CCCNC(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444012 519872533 /nfs/dbraw/zinc/87/25/33/519872533.db2.gz SEILUABYPKVLOH-UHFFFAOYSA-N 1 0 299.758 2.254 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050372638 523661930 /nfs/dbraw/zinc/66/19/30/523661930.db2.gz BLNWYFLFZXTAPX-ZIAGYGMSSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000068341202 524176886 /nfs/dbraw/zinc/17/68/86/524176886.db2.gz SARBDGRBHGJZPF-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+](C)C ZINC000291826655 524753921 /nfs/dbraw/zinc/75/39/21/524753921.db2.gz LAQYVDJTTLRZDI-JTQLQIEISA-N 1 0 278.356 2.172 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163853099 525460131 /nfs/dbraw/zinc/46/01/31/525460131.db2.gz RVCSXCCHFZOXSC-AAEUAGOBSA-N 1 0 293.367 2.020 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000062726292 525463900 /nfs/dbraw/zinc/46/39/00/525463900.db2.gz VLXNLOLUCRENBD-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294684947 525690271 /nfs/dbraw/zinc/69/02/71/525690271.db2.gz IHXYTJHMDDVOJS-NQBHXWOUSA-N 1 0 293.367 2.379 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070172777 526250697 /nfs/dbraw/zinc/25/06/97/526250697.db2.gz XJLLSLOOVXRNMB-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357899876 526654756 /nfs/dbraw/zinc/65/47/56/526654756.db2.gz ABRYEORXWHMCHL-NSHDSACASA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188831100 527355518 /nfs/dbraw/zinc/35/55/18/527355518.db2.gz JXPJEISIJXNIRP-SKDRFNHKSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000363451725 527387053 /nfs/dbraw/zinc/38/70/53/527387053.db2.gz WWONRQGRBGWIGS-KBPBESRZSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000366094444 527413750 /nfs/dbraw/zinc/41/37/50/527413750.db2.gz JKNMIOLBPQWOTD-DGCLKSJQSA-N 1 0 264.329 2.056 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960051 527774968 /nfs/dbraw/zinc/77/49/68/527774968.db2.gz NHVAQQRKPAEYDH-NILFDRSVSA-N 1 0 294.351 2.439 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(CC)nn1C ZINC000357799926 527990632 /nfs/dbraw/zinc/99/06/32/527990632.db2.gz ICVORLCZMIPMCF-LLVKDONJSA-N 1 0 297.403 2.423 20 5 CEBDRO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411464276 528799191 /nfs/dbraw/zinc/79/91/91/528799191.db2.gz XVELTOIYLITXES-NSHDSACASA-N 1 0 279.340 2.112 20 5 CEBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880653 529219326 /nfs/dbraw/zinc/21/93/26/529219326.db2.gz JZDGHWLGZLJDTG-DGCLKSJQSA-N 1 0 298.412 2.397 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413310399 529356535 /nfs/dbraw/zinc/35/65/35/529356535.db2.gz CPOBATTVNORAKF-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000190301937 536132595 /nfs/dbraw/zinc/13/25/95/536132595.db2.gz ZZFPZQGVLYRBCT-QMMMGPOBSA-N 1 0 282.325 2.359 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168314 574646917 /nfs/dbraw/zinc/64/69/17/574646917.db2.gz SXGSDTVVFAKJJV-JTQLQIEISA-N 1 0 299.396 2.281 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000750729248 575273203 /nfs/dbraw/zinc/27/32/03/575273203.db2.gz YXISHCDSKFUVNW-CQSZACIVSA-N 1 0 293.367 2.219 20 5 CEBDRO C[C@@H]1CSCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838276 575345084 /nfs/dbraw/zinc/34/50/84/575345084.db2.gz SEORQKCUECAUTK-FZMZJTMJSA-N 1 0 296.392 2.313 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813332803 623155762 /nfs/dbraw/zinc/15/57/62/623155762.db2.gz DMGICHOJOYLTEG-CQSZACIVSA-N 1 0 280.324 2.228 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000200485980 623242961 /nfs/dbraw/zinc/24/29/61/623242961.db2.gz XHDFQKDSFADNEK-JTQLQIEISA-N 1 0 266.345 2.319 20 5 CEBDRO C[NH2+]CCCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000310113639 623953368 /nfs/dbraw/zinc/95/33/68/623953368.db2.gz RABYQZRXAADVPC-UHFFFAOYSA-N 1 0 262.668 2.376 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000934035619 624180981 /nfs/dbraw/zinc/18/09/81/624180981.db2.gz AOKOJCKGAVEYAR-LLVKDONJSA-N 1 0 295.339 2.057 20 5 CEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891979941 624224669 /nfs/dbraw/zinc/22/46/69/624224669.db2.gz XYUVEWVTFZHLEK-TUAOUCFPSA-N 1 0 295.387 2.107 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124403 624245658 /nfs/dbraw/zinc/24/56/58/624245658.db2.gz HSQQJYYGYHXMKY-YPMHNXCESA-N 1 0 280.324 2.083 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000052013655 624730124 /nfs/dbraw/zinc/73/01/24/624730124.db2.gz KAZNRICAHTYLPQ-JSGCOSHPSA-N 1 0 264.325 2.296 20 5 CEBDRO COCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000044349704 624811463 /nfs/dbraw/zinc/81/14/63/624811463.db2.gz OHNYARHJPWYJGW-UHFFFAOYSA-N 1 0 252.314 2.419 20 5 CEBDRO C[NH2+]CCCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238663 625062709 /nfs/dbraw/zinc/06/27/09/625062709.db2.gz WWDKJGWELFATPX-UHFFFAOYSA-N 1 0 276.296 2.105 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000892622430 627319062 /nfs/dbraw/zinc/31/90/62/627319062.db2.gz PHYOCBIFPMDYCO-JUDXGUMMSA-N 1 0 294.351 2.438 20 5 CEBDRO COC(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000851715275 627708408 /nfs/dbraw/zinc/70/84/08/627708408.db2.gz OYSRPCZLSIOQBF-UHFFFAOYSA-N 1 0 268.313 2.036 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000892938142 627864235 /nfs/dbraw/zinc/86/42/35/627864235.db2.gz YIOFCUKMMPCUAY-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430083 634651077 /nfs/dbraw/zinc/65/10/77/634651077.db2.gz OEYZXAYOYYBSAR-MBNYWOFBSA-N 1 0 277.368 2.428 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000313058153 628577156 /nfs/dbraw/zinc/57/71/56/628577156.db2.gz DHKCDYFCVOPMGQ-ZDUSSCGKSA-N 1 0 264.325 2.152 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000261630895 628952868 /nfs/dbraw/zinc/95/28/68/628952868.db2.gz CMLCBQJZGNHOBV-ZETCQYMHSA-N 1 0 296.714 2.449 20 5 CEBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1CO ZINC000893816616 629005026 /nfs/dbraw/zinc/00/50/26/629005026.db2.gz LDDJRQRGIQLZAV-UHFFFAOYSA-N 1 0 287.319 2.161 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941993 629056546 /nfs/dbraw/zinc/05/65/46/629056546.db2.gz YGFJBWKRYKSYLH-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO COc1ccccc1CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052419 629239785 /nfs/dbraw/zinc/23/97/85/629239785.db2.gz NMWKVKVRYMGUHF-UHFFFAOYSA-N 1 0 278.352 2.226 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261839374 629271324 /nfs/dbraw/zinc/27/13/24/629271324.db2.gz ZOWPVLYZHCSUAA-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928427508 629504870 /nfs/dbraw/zinc/50/48/70/629504870.db2.gz MZVWGZJRCWHHEP-VXGBXAGGSA-N 1 0 291.351 2.034 20 5 CEBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928457054 629721561 /nfs/dbraw/zinc/72/15/61/629721561.db2.gz OUIDKAUUKQPXBN-KCJUWKMLSA-N 1 0 297.742 2.071 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000894902539 629742431 /nfs/dbraw/zinc/74/24/31/629742431.db2.gz ZSCAUPWIYXWOPV-JTQLQIEISA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@H](C[NH2+]CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000902674888 634770609 /nfs/dbraw/zinc/77/06/09/634770609.db2.gz YGMQHEJNFJWIGI-LLVKDONJSA-N 1 0 264.325 2.324 20 5 CEBDRO CCC[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057764 629830326 /nfs/dbraw/zinc/83/03/26/629830326.db2.gz HXRXOMBBMMZODV-VIFPVBQESA-N 1 0 284.747 2.222 20 5 CEBDRO CCC[C@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058407 629831743 /nfs/dbraw/zinc/83/17/43/629831743.db2.gz KSEHEZVYOKGLKC-ZDUSSCGKSA-N 1 0 291.351 2.376 20 5 CEBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000895058437 629831995 /nfs/dbraw/zinc/83/19/95/629831995.db2.gz LGDPSUHDAZLYHC-JTQLQIEISA-N 1 0 267.304 2.312 20 5 CEBDRO C[C@H]1[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895740679 630320321 /nfs/dbraw/zinc/32/03/21/630320321.db2.gz PGTNDRZTUOFKCC-CABZTGNLSA-N 1 0 287.323 2.043 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000895769335 630337856 /nfs/dbraw/zinc/33/78/56/630337856.db2.gz BMYDCIVFUVMIHD-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000895833689 630371024 /nfs/dbraw/zinc/37/10/24/630371024.db2.gz CSHWUGAIVAYULX-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CCO[C@@H](CNc1ccc(C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896114616 630468237 /nfs/dbraw/zinc/46/82/37/630468237.db2.gz BAPOABNLFMCPDV-LBPRGKRZSA-N 1 0 281.356 2.282 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000896559737 630595015 /nfs/dbraw/zinc/59/50/15/630595015.db2.gz TXQSWQZJGOTTBL-BXKDBHETSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985184942 630876894 /nfs/dbraw/zinc/87/68/94/630876894.db2.gz PVCPNRUNWSMDJE-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO CC[NH+](CC)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007522338 630934438 /nfs/dbraw/zinc/93/44/38/630934438.db2.gz KOINZVPHLKWUKY-UHFFFAOYSA-N 1 0 296.396 2.223 20 5 CEBDRO C[C@@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000800854436 631149370 /nfs/dbraw/zinc/14/93/70/631149370.db2.gz FIEABVPTIAKAPF-MWLCHTKSSA-N 1 0 264.329 2.072 20 5 CEBDRO CCC(CC)(CCO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801587361 631293881 /nfs/dbraw/zinc/29/38/81/631293881.db2.gz MLBVCCMFPPFBMY-CQSZACIVSA-N 1 0 296.367 2.159 20 5 CEBDRO Nc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000804347041 631667884 /nfs/dbraw/zinc/66/78/84/631667884.db2.gz CLKGEHPTNZFQMA-SNVBAGLBSA-N 1 0 276.340 2.073 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011743 631728292 /nfs/dbraw/zinc/72/82/92/631728292.db2.gz UJORFEAAGSEWPM-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205563 632086774 /nfs/dbraw/zinc/08/67/74/632086774.db2.gz FDCVDOOMYFHKKE-UYWPIULCSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cs1 ZINC000898393618 632475334 /nfs/dbraw/zinc/47/53/34/632475334.db2.gz SGJMMTGSZKQUTR-JSGCOSHPSA-N 1 0 290.344 2.404 20 5 CEBDRO COc1ccc(C[NH2+]C/C=C\Cl)cc1[N+](=O)[O-] ZINC000898434808 632495871 /nfs/dbraw/zinc/49/58/71/632495871.db2.gz AANCUMWBJSACSD-DJWKRKHSSA-N 1 0 256.689 2.446 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000818340506 633911895 /nfs/dbraw/zinc/91/18/95/633911895.db2.gz OHRPDRBQGAFGAH-VXGBXAGGSA-N 1 0 267.304 2.093 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000819130640 634076902 /nfs/dbraw/zinc/07/69/02/634076902.db2.gz DBVWCVUOFSOLAJ-YPMHNXCESA-N 1 0 282.365 2.113 20 5 CEBDRO CC1(C)SC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819297881 634131034 /nfs/dbraw/zinc/13/10/34/634131034.db2.gz IQOXMBWCZCFZIX-RYUDHWBXSA-N 1 0 282.365 2.112 20 5 CEBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819356206 634152361 /nfs/dbraw/zinc/15/23/61/634152361.db2.gz CLGSVUUTMCXJLO-ZDUSSCGKSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819364679 634156493 /nfs/dbraw/zinc/15/64/93/634156493.db2.gz VJIKMFONJZKXNF-MJBXVCDLSA-N 1 0 264.325 2.262 20 5 CEBDRO CO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000819375159 634161842 /nfs/dbraw/zinc/16/18/42/634161842.db2.gz PZHHHCNQBZGZKJ-GJZGRUSLSA-N 1 0 296.367 2.279 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903094380 634976067 /nfs/dbraw/zinc/97/60/67/634976067.db2.gz YPTDTUKYVMNNIZ-VIFPVBQESA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCn2cccn2)cc([N+](=O)[O-])c1 ZINC000903116090 634978954 /nfs/dbraw/zinc/97/89/54/634978954.db2.gz KBAMBNVTAAJHNN-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO COCC1([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903138974 634987430 /nfs/dbraw/zinc/98/74/30/634987430.db2.gz BURAKARYPARTQW-JTQLQIEISA-N 1 0 280.324 2.433 20 5 CEBDRO Cc1c(Cc2noc([C@@H](C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822861242 635014087 /nfs/dbraw/zinc/01/40/87/635014087.db2.gz BLZGUMMVBSYKEJ-WCBMZHEXSA-N 1 0 290.323 2.328 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903206402 635016045 /nfs/dbraw/zinc/01/60/45/635016045.db2.gz JZTUHEONRFNMMR-BREBYQMCSA-N 1 0 280.324 2.025 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903210144 635017027 /nfs/dbraw/zinc/01/70/27/635017027.db2.gz UBDURUQYTKWUCV-GLXFQSAKSA-N 1 0 280.324 2.431 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)nn1 ZINC000903245418 635026281 /nfs/dbraw/zinc/02/62/81/635026281.db2.gz LYPRPNUBQSQHAE-GHMZBOCLSA-N 1 0 289.339 2.178 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000903333614 635066000 /nfs/dbraw/zinc/06/60/00/635066000.db2.gz RMLAQXAWXZUNCX-VOMCLLRMSA-N 1 0 294.351 2.415 20 5 CEBDRO CC(C)(NC(=O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000823117190 635072725 /nfs/dbraw/zinc/07/27/25/635072725.db2.gz MVIGHBLZHUHWFM-UHFFFAOYSA-N 1 0 291.351 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000903467401 635140495 /nfs/dbraw/zinc/14/04/95/635140495.db2.gz AZNKTVYIZCXZKY-ZDUSSCGKSA-N 1 0 279.315 2.108 20 5 CEBDRO [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000904405649 635612469 /nfs/dbraw/zinc/61/24/69/635612469.db2.gz MDAGETGFQNLGJR-VIFPVBQESA-N 1 0 299.758 2.125 20 5 CEBDRO [NH3+]C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000904449308 635640453 /nfs/dbraw/zinc/64/04/53/635640453.db2.gz ISWMZIDLWHHPTQ-UHFFFAOYSA-N 1 0 287.319 2.436 20 5 CEBDRO Cc1noc(-c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 ZINC000904578858 635669844 /nfs/dbraw/zinc/66/98/44/635669844.db2.gz ITFKKAZRSGXZLL-UHFFFAOYSA-N 1 0 271.236 2.139 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905045916 635786953 /nfs/dbraw/zinc/78/69/53/635786953.db2.gz MZEBRQOMNXCEBX-AWEZNQCLSA-N 1 0 291.395 2.427 20 5 CEBDRO CCc1ccc(C(C)(C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905155286 635832755 /nfs/dbraw/zinc/83/27/55/635832755.db2.gz SYTRTKSRNMSUAN-UHFFFAOYSA-N 1 0 250.342 2.393 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000905135932 635840179 /nfs/dbraw/zinc/84/01/79/635840179.db2.gz XVVNEZXCPMXIFO-NSHDSACASA-N 1 0 283.759 2.175 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000905273794 636200996 /nfs/dbraw/zinc/20/09/96/636200996.db2.gz NHLTZDUSMANWIM-UHFFFAOYSA-N 1 0 279.123 2.239 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000905620683 636347611 /nfs/dbraw/zinc/34/76/11/636347611.db2.gz GFQUWUJDVZYYOZ-SNPRPXQTSA-N 1 0 276.336 2.408 20 5 CEBDRO C[C@@H](O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827579761 636358472 /nfs/dbraw/zinc/35/84/72/636358472.db2.gz JUJRCISRABPGEX-MRVPVSSYSA-N 1 0 270.716 2.251 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000828987940 636745977 /nfs/dbraw/zinc/74/59/77/636745977.db2.gz OLLMCJKERZUIMJ-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000830553449 637100552 /nfs/dbraw/zinc/10/05/52/637100552.db2.gz JEWOZIAKYZXZMR-GFCCVEGCSA-N 1 0 252.314 2.359 20 5 CEBDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217894 637256813 /nfs/dbraw/zinc/25/68/13/637256813.db2.gz NSEBFENRTMKYEY-GFCCVEGCSA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1c(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000876549376 650320288 /nfs/dbraw/zinc/32/02/88/650320288.db2.gz DLHOJLZABRGRQE-HIFRSBDPSA-N 1 0 289.335 2.374 20 5 CEBDRO C[NH+](C)CCCOC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028078 637846910 /nfs/dbraw/zinc/84/69/10/637846910.db2.gz PIVQIJBSJHQBLZ-KGLIPLIRSA-N 1 0 292.335 2.193 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910288012 637979290 /nfs/dbraw/zinc/97/92/90/637979290.db2.gz JJVNQPCBTWQIKD-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO C[NH+](C)CCCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923963192 638362180 /nfs/dbraw/zinc/36/21/80/638362180.db2.gz STCMZWPITDATLE-UHFFFAOYSA-N 1 0 298.314 2.161 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000876816356 650444736 /nfs/dbraw/zinc/44/47/36/650444736.db2.gz XTZGHDHXWKVQSS-WFASDCNBSA-N 1 0 278.352 2.414 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912593357 638737192 /nfs/dbraw/zinc/73/71/92/638737192.db2.gz ZHTDQYJFFDFOLD-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044528614 639321727 /nfs/dbraw/zinc/32/17/27/639321727.db2.gz WSODQWKXHMZSRH-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000044722140 639359155 /nfs/dbraw/zinc/35/91/55/639359155.db2.gz PSTSTCCXPLGXPC-CYBMUJFWSA-N 1 0 275.352 2.230 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000166147467 639449813 /nfs/dbraw/zinc/44/98/13/639449813.db2.gz PHHLJZMMPOLXAI-JTQLQIEISA-N 1 0 280.259 2.440 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225589228 639508013 /nfs/dbraw/zinc/50/80/13/639508013.db2.gz CEZJIURWULCJSY-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000226129893 639525622 /nfs/dbraw/zinc/52/56/22/639525622.db2.gz JFZNCVDJTZGVQJ-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841011727 639617069 /nfs/dbraw/zinc/61/70/69/639617069.db2.gz SVTIEMHNFTYZJC-SECBINFHSA-N 1 0 298.730 2.074 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228108601 639617766 /nfs/dbraw/zinc/61/77/66/639617766.db2.gz GMKHNSNJJRBJOS-ZJUUUORDSA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000841033559 639626608 /nfs/dbraw/zinc/62/66/08/639626608.db2.gz VJCKQFFXHLTNRQ-NSHDSACASA-N 1 0 283.759 2.337 20 5 CEBDRO C[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061445 639638019 /nfs/dbraw/zinc/63/80/19/639638019.db2.gz JIEJOXUZCIWWFX-JOYOIKCWSA-N 1 0 283.759 2.478 20 5 CEBDRO CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841065896 639640783 /nfs/dbraw/zinc/64/07/83/639640783.db2.gz UUYMBJDSXNGQIO-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000876976922 650515277 /nfs/dbraw/zinc/51/52/77/650515277.db2.gz PMTTUJXBZSHVPA-GFCCVEGCSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102653 639673551 /nfs/dbraw/zinc/67/35/51/639673551.db2.gz HWSQHJDNWWUGRR-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH3+] ZINC000841104240 639682361 /nfs/dbraw/zinc/68/23/61/639682361.db2.gz VWEGTJXZRNDDDW-NKWVEPMBSA-N 1 0 286.719 2.105 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C(C3CC3)C3CC3)C2)c1 ZINC000876984801 650518973 /nfs/dbraw/zinc/51/89/73/650518973.db2.gz OUIZKLRNDJGVDX-UHFFFAOYSA-N 1 0 276.340 2.273 20 5 CEBDRO CC[C@H](C)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000171890320 639736838 /nfs/dbraw/zinc/73/68/38/639736838.db2.gz AOCBXJNMZINJFG-VIFPVBQESA-N 1 0 254.334 2.344 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000063169023 639837942 /nfs/dbraw/zinc/83/79/42/639837942.db2.gz FFQSGRVCLVRTEV-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173527722 639864616 /nfs/dbraw/zinc/86/46/16/639864616.db2.gz FJKKDRBIVBMMHC-JTQLQIEISA-N 1 0 260.297 2.386 20 5 CEBDRO Cn1cnc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000313249234 640194352 /nfs/dbraw/zinc/19/43/52/640194352.db2.gz DKUAWFUPUAPCQB-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000877072794 650559740 /nfs/dbraw/zinc/55/97/40/650559740.db2.gz VRZLJXGUXITZLA-HNNXBMFYSA-N 1 0 290.319 2.228 20 5 CEBDRO CCC(CC)(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098412 640279827 /nfs/dbraw/zinc/27/98/27/640279827.db2.gz WOLDMHADYFJNIX-AWEZNQCLSA-N 1 0 296.367 2.017 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843100049 640280826 /nfs/dbraw/zinc/28/08/26/640280826.db2.gz SSSRNRKGMDTCSY-LNSITVRQSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000843125839 640292270 /nfs/dbraw/zinc/29/22/70/640292270.db2.gz ANMVHTJURBQHKR-YGRLFVJLSA-N 1 0 295.770 2.432 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187336 640338749 /nfs/dbraw/zinc/33/87/49/640338749.db2.gz NJURXVQGKDQKQN-VIFPVBQESA-N 1 0 276.296 2.276 20 5 CEBDRO Cc1c(-c2noc(CC3([NH3+])CCC3)n2)cccc1[N+](=O)[O-] ZINC000843237497 640364588 /nfs/dbraw/zinc/36/45/88/640364588.db2.gz DCFANRTWXQDRCC-UHFFFAOYSA-N 1 0 288.307 2.377 20 5 CEBDRO Cc1c(-c2noc([C@]3(C)CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238232 640364847 /nfs/dbraw/zinc/36/48/47/640364847.db2.gz LLVJXFBPBJVXCI-CQSZACIVSA-N 1 0 288.307 2.204 20 5 CEBDRO C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252175836 640403184 /nfs/dbraw/zinc/40/31/84/640403184.db2.gz OYAPUSOZBVYMFE-YGRLFVJLSA-N 1 0 281.331 2.293 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000914566300 640436511 /nfs/dbraw/zinc/43/65/11/640436511.db2.gz WJXYUMWCBGHNLV-CQSZACIVSA-N 1 0 286.335 2.456 20 5 CEBDRO CC[C@H](CSC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877129982 650587006 /nfs/dbraw/zinc/58/70/06/650587006.db2.gz HGABSPAKPFXYPB-KPPDAEKUSA-N 1 0 284.385 2.226 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000920484914 641158576 /nfs/dbraw/zinc/15/85/76/641158576.db2.gz KETWRRTWFGYIQO-GFCCVEGCSA-N 1 0 266.345 2.486 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074735 641629747 /nfs/dbraw/zinc/62/97/47/641629747.db2.gz MQQGDODHILGNGH-MNOVXSKESA-N 1 0 281.331 2.293 20 5 CEBDRO Cn1c(Cl)ncc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000848543860 642044603 /nfs/dbraw/zinc/04/46/03/642044603.db2.gz HTEVDNPLNPNRKZ-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877462990 650730745 /nfs/dbraw/zinc/73/07/45/650730745.db2.gz XYKNFHUEJXDILL-DOMZBBRYSA-N 1 0 276.336 2.026 20 5 CEBDRO C[C@H](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000849280377 642312394 /nfs/dbraw/zinc/31/23/94/642312394.db2.gz UDWKOGFYZLOUOR-SNVBAGLBSA-N 1 0 296.396 2.221 20 5 CEBDRO CC[C@H]([NH2+]CCN(C)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000850550510 642750555 /nfs/dbraw/zinc/75/05/55/642750555.db2.gz PSVZYJFXEPCOPT-ZDUSSCGKSA-N 1 0 295.339 2.334 20 5 CEBDRO CC(C)(C)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000853203630 643701803 /nfs/dbraw/zinc/70/18/03/643701803.db2.gz PFAVMJRMQSZWNR-UHFFFAOYSA-N 1 0 294.355 2.370 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853825019 643911294 /nfs/dbraw/zinc/91/12/94/643911294.db2.gz CEUVIYFXFVLJLS-UHFFFAOYSA-N 1 0 292.364 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)C2CC2)C2CC2)cc1 ZINC000838907592 644064585 /nfs/dbraw/zinc/06/45/85/644064585.db2.gz SLRAVLKJQUEAHX-HNNXBMFYSA-N 1 0 276.336 2.330 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000877743278 650888686 /nfs/dbraw/zinc/88/86/86/650888686.db2.gz JLEXWTNEEYXPSW-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000877751963 650895023 /nfs/dbraw/zinc/89/50/23/650895023.db2.gz ABNRISAKZAGQEB-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855162996 644261938 /nfs/dbraw/zinc/26/19/38/644261938.db2.gz QVQJAQDDRONFKN-GFCCVEGCSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000758486272 644934332 /nfs/dbraw/zinc/93/43/32/644934332.db2.gz OJKXFNFHZIPBMF-UHFFFAOYSA-N 1 0 297.330 2.114 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000858592519 645216098 /nfs/dbraw/zinc/21/60/98/645216098.db2.gz DWSAEAMTELEITD-JBLDHEPKSA-N 1 0 279.340 2.253 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000858592518 645216553 /nfs/dbraw/zinc/21/65/53/645216553.db2.gz DWSAEAMTELEITD-FOGDFJRCSA-N 1 0 279.340 2.253 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](C)C1 ZINC000761076959 645233150 /nfs/dbraw/zinc/23/31/50/645233150.db2.gz QKBDRECHZISNKW-NWDGAFQWSA-N 1 0 263.341 2.292 20 5 CEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848949 645816770 /nfs/dbraw/zinc/81/67/70/645816770.db2.gz LQEFNMOKBYVOJT-SMDDNHRTSA-N 1 0 296.367 2.421 20 5 CEBDRO O=C(OCCC[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000860918403 645946888 /nfs/dbraw/zinc/94/68/88/645946888.db2.gz IRCWKHOGPOWKSH-UHFFFAOYSA-N 1 0 292.335 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)C1CC1 ZINC000771805802 646552581 /nfs/dbraw/zinc/55/25/81/646552581.db2.gz VEONRUVUJMUSMK-LLVKDONJSA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CC1 ZINC000772988631 646693623 /nfs/dbraw/zinc/69/36/23/646693623.db2.gz SNMHPYAQIUMSGU-SMDDNHRTSA-N 1 0 278.352 2.276 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863576759 646761355 /nfs/dbraw/zinc/76/13/55/646761355.db2.gz UMUMCULZFCFYIA-UKRRQHHQSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)c1ccc(CN(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000863653478 646778912 /nfs/dbraw/zinc/77/89/12/646778912.db2.gz KUEGTALGLRNMIQ-NSHDSACASA-N 1 0 265.357 2.497 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000773943206 646788594 /nfs/dbraw/zinc/78/85/94/646788594.db2.gz LWHCIKMOXFKJJV-CQSZACIVSA-N 1 0 298.314 2.019 20 5 CEBDRO C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271635 647044985 /nfs/dbraw/zinc/04/49/85/647044985.db2.gz MONSUUDCMPLPDF-CQSZACIVSA-N 1 0 276.292 2.353 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865470838 647310501 /nfs/dbraw/zinc/31/05/01/647310501.db2.gz GYQJTIUHUZGOII-LLVKDONJSA-N 1 0 297.330 2.121 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865501597 647327936 /nfs/dbraw/zinc/32/79/36/647327936.db2.gz CGZDKQVTLUCDFN-UHFFFAOYSA-N 1 0 285.319 2.026 20 5 CEBDRO CCCn1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000865581439 647369509 /nfs/dbraw/zinc/36/95/09/647369509.db2.gz MRFNBJUUBBZQEB-NSHDSACASA-N 1 0 289.339 2.447 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000866060882 647592070 /nfs/dbraw/zinc/59/20/70/647592070.db2.gz KQPMFCXSBLAYKV-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866205559 647668567 /nfs/dbraw/zinc/66/85/67/647668567.db2.gz FSIGKISUFATMMS-OLZOCXBDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866206280 647669980 /nfs/dbraw/zinc/66/99/80/647669980.db2.gz RIQNDFPJDDSJQG-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@H]21 ZINC000866207422 647671727 /nfs/dbraw/zinc/67/17/27/647671727.db2.gz PDXBYHWPUKNRSR-NXEZZACHSA-N 1 0 267.354 2.187 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207428 647671740 /nfs/dbraw/zinc/67/17/40/647671740.db2.gz PDXBYHWPUKNRSR-ZJUUUORDSA-N 1 0 267.354 2.187 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000866209329 647673571 /nfs/dbraw/zinc/67/35/71/647673571.db2.gz QYOHACZPXHFFLM-WDEREUQCSA-N 1 0 281.381 2.495 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1 ZINC000866241059 647688855 /nfs/dbraw/zinc/68/88/55/647688855.db2.gz UWQVQGUBZXGCSD-BXUZGUMPSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000866242652 647690049 /nfs/dbraw/zinc/69/00/49/647690049.db2.gz OFSUAFZIMLBKJV-QWRGUYRKSA-N 1 0 282.315 2.291 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263123 647702845 /nfs/dbraw/zinc/70/28/45/647702845.db2.gz MYAHUUCLNLNNDM-HZMBPMFUSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000866344807 647747409 /nfs/dbraw/zinc/74/74/09/647747409.db2.gz ZJUJBDIFENMPLR-LLVKDONJSA-N 1 0 296.342 2.417 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCF ZINC000866392598 647771696 /nfs/dbraw/zinc/77/16/96/647771696.db2.gz FCLAPNNJGJQKHU-SNVBAGLBSA-N 1 0 288.294 2.241 20 5 CEBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000784031686 647791453 /nfs/dbraw/zinc/79/14/53/647791453.db2.gz LTOLCSQZBLRLOR-JTQLQIEISA-N 1 0 252.318 2.117 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866725369 647884622 /nfs/dbraw/zinc/88/46/22/647884622.db2.gz SFCJRYLKZQBHLN-ZIAGYGMSSA-N 1 0 275.352 2.230 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988863 647975563 /nfs/dbraw/zinc/97/55/63/647975563.db2.gz PZDKGKSGSSDTKN-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO CCCCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942128 647995403 /nfs/dbraw/zinc/99/54/03/647995403.db2.gz MCXJRLSMISZUDK-AWEZNQCLSA-N 1 0 279.340 2.075 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868078051 648044180 /nfs/dbraw/zinc/04/41/80/648044180.db2.gz IDRZSWNUSLKGQO-HNNXBMFYSA-N 1 0 291.351 2.083 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[C@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868080771 648045693 /nfs/dbraw/zinc/04/56/93/648045693.db2.gz YWSLJTBMXADLBO-HNNXBMFYSA-N 1 0 291.351 2.282 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592690 648205265 /nfs/dbraw/zinc/20/52/65/648205265.db2.gz FFNWSAMMIMZIGY-ZYHUDNBSSA-N 1 0 290.367 2.064 20 5 CEBDRO C[NH+](C)CCCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000789945979 648360995 /nfs/dbraw/zinc/36/09/95/648360995.db2.gz SPHGUJYSXLGJEF-TWGQIWQCSA-N 1 0 278.308 2.103 20 5 CEBDRO CCO[C@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052952 648475991 /nfs/dbraw/zinc/47/59/91/648475991.db2.gz PWNKMPRARSISIG-STQMWFEESA-N 1 0 270.373 2.323 20 5 CEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000792202515 648625449 /nfs/dbraw/zinc/62/54/49/648625449.db2.gz OZWKUIUUUSPTOT-VXGBXAGGSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@@H](N[C@@H](C)C[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070666 649263164 /nfs/dbraw/zinc/26/31/64/649263164.db2.gz GMYCSVOYDMMXHM-VHSXEESVSA-N 1 0 269.320 2.335 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779809 649487041 /nfs/dbraw/zinc/48/70/41/649487041.db2.gz IKZZUNRGBXKJJF-MNOVXSKESA-N 1 0 296.758 2.316 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC1 ZINC000873012396 649530616 /nfs/dbraw/zinc/53/06/16/649530616.db2.gz GTHMCXUWGMRLJR-LBPRGKRZSA-N 1 0 264.325 2.338 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873047832 649543187 /nfs/dbraw/zinc/54/31/87/649543187.db2.gz FMSQLGRVGJHDNI-HNNXBMFYSA-N 1 0 289.379 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CCO ZINC000873056460 649546284 /nfs/dbraw/zinc/54/62/84/649546284.db2.gz FLKNYUYFJAWXMV-JTQLQIEISA-N 1 0 252.314 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cncn1C ZINC000873140557 649568351 /nfs/dbraw/zinc/56/83/51/649568351.db2.gz PXIRJSBPEBLUNE-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873145352 649569368 /nfs/dbraw/zinc/56/93/68/649569368.db2.gz JYTLZPSMOWECTK-HAQNSBGRSA-N 1 0 264.325 2.479 20 5 CEBDRO Cc1ccc(CN2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000879060216 651236529 /nfs/dbraw/zinc/23/65/29/651236529.db2.gz AGIKYRICIYJRRL-UHFFFAOYSA-N 1 0 295.358 2.380 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879530784 651317822 /nfs/dbraw/zinc/31/78/22/651317822.db2.gz HTBXJYHCPFEHOU-PHIMTYICSA-N 1 0 263.297 2.289 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879618557 651330888 /nfs/dbraw/zinc/33/08/88/651330888.db2.gz XNYJIPYZLNSSNT-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880237046 651406287 /nfs/dbraw/zinc/40/62/87/651406287.db2.gz PAOFQSXOXHIQJD-BXUZGUMPSA-N 1 0 282.315 2.310 20 5 CEBDRO CC[NH+](CC)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881741549 651870866 /nfs/dbraw/zinc/87/08/66/651870866.db2.gz LKVJOTBHYQDTSC-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]CCC12CCC2 ZINC000883458513 652476614 /nfs/dbraw/zinc/47/66/14/652476614.db2.gz MJZJVXAVHPQINE-UHFFFAOYSA-N 1 0 293.342 2.452 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000800140531 652661422 /nfs/dbraw/zinc/66/14/22/652661422.db2.gz RNANTFSLGTWQCG-UHFFFAOYSA-N 1 0 284.337 2.299 20 5 CEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000884068871 652693592 /nfs/dbraw/zinc/69/35/92/652693592.db2.gz IHLWZXQDEXPVJX-ZDUSSCGKSA-N 1 0 293.367 2.221 20 5 CEBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134178349 652786823 /nfs/dbraw/zinc/78/68/23/652786823.db2.gz KYJNHPJAEYYTOD-OAHLLOKOSA-N 1 0 294.351 2.459 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364980 652816940 /nfs/dbraw/zinc/81/69/40/652816940.db2.gz BJHUCUNOEDOJGB-NWDGAFQWSA-N 1 0 291.351 2.067 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000884438153 652850603 /nfs/dbraw/zinc/85/06/03/652850603.db2.gz VIJPSAOBVJTTLG-JQWIXIFHSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000884853282 652974869 /nfs/dbraw/zinc/97/48/69/652974869.db2.gz KKFJCKBCBAOPJJ-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO COc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001227852318 806059858 /nfs/dbraw/zinc/05/98/58/806059858.db2.gz CMOOGDCTGVEANS-VIFPVBQESA-N 1 0 260.304 2.447 20 5 CEBDRO CN(c1ccnc2c1cccc2[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714241825 806091388 /nfs/dbraw/zinc/09/13/88/806091388.db2.gz CAUGVDLQDPZADC-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+](C)C ZINC000697905709 806754001 /nfs/dbraw/zinc/75/40/01/806754001.db2.gz HJMYQHMAHWDPMU-SECBINFHSA-N 1 0 282.300 2.255 20 5 CEBDRO COC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000160238158 806861943 /nfs/dbraw/zinc/86/19/43/806861943.db2.gz MOSUPNPMKNCQER-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160404009 806870191 /nfs/dbraw/zinc/87/01/91/806870191.db2.gz CJDMYWKIRFSJON-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160425181 806870691 /nfs/dbraw/zinc/87/06/91/806870691.db2.gz JHLRFXHQYRJYQQ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000160427638 806871289 /nfs/dbraw/zinc/87/12/89/806871289.db2.gz VKRAYGGSLWAJBI-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001167590143 803168897 /nfs/dbraw/zinc/16/88/97/803168897.db2.gz SSTFLSQMKLBGSU-UHFFFAOYSA-N 1 0 251.673 2.498 20 5 CEBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218387204 803596190 /nfs/dbraw/zinc/59/61/90/803596190.db2.gz XPKKNTZZCZJPNI-WKEGUHRASA-N 1 0 276.214 2.353 20 5 CEBDRO Cc1c(C[NH2+]CCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000692599547 803726913 /nfs/dbraw/zinc/72/69/13/803726913.db2.gz AMWKZQGTILQVTE-GFCCVEGCSA-N 1 0 277.368 2.335 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000715554828 814979484 /nfs/dbraw/zinc/97/94/84/814979484.db2.gz YHTYMUQNAOOFHK-GHMZBOCLSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000716023513 815015337 /nfs/dbraw/zinc/01/53/37/815015337.db2.gz YNVWQFRMUPIWCV-LBPRGKRZSA-N 1 0 294.351 2.474 20 5 CEBDRO CC[NH+](CC)CCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224926449 807031994 /nfs/dbraw/zinc/03/19/94/807031994.db2.gz XQGGHUPXBHNGOO-HNNXBMFYSA-N 1 0 278.352 2.420 20 5 CEBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570072 807247524 /nfs/dbraw/zinc/24/75/24/807247524.db2.gz NXHNDKQSIGELMM-PRHODGIISA-N 1 0 274.267 2.262 20 5 CEBDRO Nc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC001120927643 807354520 /nfs/dbraw/zinc/35/45/20/807354520.db2.gz ZGANJKOBLOPZEX-LLVKDONJSA-N 1 0 291.355 2.001 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000716828985 815152272 /nfs/dbraw/zinc/15/22/72/815152272.db2.gz KTQLLGXYKBQOOI-MWLCHTKSSA-N 1 0 270.304 2.373 20 5 CEBDRO CCC1(Nc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C[NH2+]C1 ZINC001168583971 808671295 /nfs/dbraw/zinc/67/12/95/808671295.db2.gz UXEGQNSVSNXHJX-UHFFFAOYSA-N 1 0 290.298 2.446 20 5 CEBDRO CCC1(Nc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C[NH2+]C1 ZINC001168584244 808671324 /nfs/dbraw/zinc/67/13/24/808671324.db2.gz YXHDAPLOEUSDHJ-UHFFFAOYSA-N 1 0 299.334 2.216 20 5 CEBDRO CCC1(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[NH2+]C1 ZINC001168584161 808672566 /nfs/dbraw/zinc/67/25/66/808672566.db2.gz YFXLIIQYNKLINU-UHFFFAOYSA-N 1 0 276.340 2.033 20 5 CEBDRO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168596271 808692711 /nfs/dbraw/zinc/69/27/11/808692711.db2.gz HZTBOPSSZJFIER-AAEUAGOBSA-N 1 0 293.371 2.316 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001120883596 815290381 /nfs/dbraw/zinc/29/03/81/815290381.db2.gz ITAHLCFEZFPHDA-DGCLKSJQSA-N 1 0 276.340 2.216 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038857 809489661 /nfs/dbraw/zinc/48/96/61/809489661.db2.gz LAOIJGFHZRORKL-JTQLQIEISA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C)C1 ZINC001229883536 809621704 /nfs/dbraw/zinc/62/17/04/809621704.db2.gz WCIWXYSUHYACJB-NSHDSACASA-N 1 0 250.298 2.295 20 5 CEBDRO CC1(O)CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000703523251 809659200 /nfs/dbraw/zinc/65/92/00/809659200.db2.gz FONYBTPLRQMBAX-UHFFFAOYSA-N 1 0 278.352 2.421 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000706505497 809827932 /nfs/dbraw/zinc/82/79/32/809827932.db2.gz NLVOSDPNFDKJEW-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001163771645 810189131 /nfs/dbraw/zinc/18/91/31/810189131.db2.gz DTOSMSQYYDWZQF-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccsc2)cc1 ZINC000113711382 810304106 /nfs/dbraw/zinc/30/41/06/810304106.db2.gz OSIXQSKPTHWTMQ-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367431 815405438 /nfs/dbraw/zinc/40/54/38/815405438.db2.gz BXVILNMFQQIKGL-BMIGLBTASA-N 1 0 291.351 2.074 20 5 CEBDRO Cc1cnc(NC[C@@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155114275 810981930 /nfs/dbraw/zinc/98/19/30/810981930.db2.gz ADESDHHCLNJGIJ-CYBMUJFWSA-N 1 0 282.319 2.192 20 5 CEBDRO [NH3+][C@H]1CCN(c2ccc3ccc4cccnc4c3n2)C1 ZINC001156229312 811274004 /nfs/dbraw/zinc/27/40/04/811274004.db2.gz YQBUJGGYBYNOGM-ZDUSSCGKSA-N 1 0 264.332 2.320 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2cccnc2)C1 ZINC001168977037 811307066 /nfs/dbraw/zinc/30/70/66/811307066.db2.gz HEHQTRQCKDEGIK-KBPBESRZSA-N 1 0 263.341 2.049 20 5 CEBDRO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168979216 811307769 /nfs/dbraw/zinc/30/77/69/811307769.db2.gz XEVXIOQUHMGDDV-WDEREUQCSA-N 1 0 269.370 2.295 20 5 CEBDRO CCOC(=O)CCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979179 811308751 /nfs/dbraw/zinc/30/87/51/811308751.db2.gz WXYMQFCJINPIQB-QWHCGFSZSA-N 1 0 286.372 2.145 20 5 CEBDRO [NH3+][C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979712 811308778 /nfs/dbraw/zinc/30/87/78/811308778.db2.gz ZOFYSELKTHYDNE-SGMGOOAPSA-N 1 0 275.352 2.342 20 5 CEBDRO CC(C)N(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956537 811312433 /nfs/dbraw/zinc/31/24/33/811312433.db2.gz BMRUXEXKDFWRRM-UONOGXRCSA-N 1 0 271.405 2.140 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001168959139 811313728 /nfs/dbraw/zinc/31/37/28/811313728.db2.gz UADSLITXLUIWHO-GHMZBOCLSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC001168959424 811314373 /nfs/dbraw/zinc/31/43/73/811314373.db2.gz VVVDUIIPRVJYQT-MRVWCRGKSA-N 1 0 276.336 2.025 20 5 CEBDRO [NH3+]CCc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965894 811316765 /nfs/dbraw/zinc/31/67/65/811316765.db2.gz DHMJTFCSCCTUGQ-OCCSQVGLSA-N 1 0 263.341 2.045 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncccc2Cl)C1 ZINC001168969054 811320745 /nfs/dbraw/zinc/32/07/45/811320745.db2.gz BSGBNKCTSWSUAE-ZJUUUORDSA-N 1 0 269.732 2.270 20 5 CEBDRO Cc1cccc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168998559 811326752 /nfs/dbraw/zinc/32/67/52/811326752.db2.gz OPWKDDHGAZANRZ-KBPBESRZSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CCC2)C1 ZINC001168997436 811327146 /nfs/dbraw/zinc/32/71/46/811327146.db2.gz ZJRYGOMGUMDXDZ-ZIAGYGMSSA-N 1 0 292.383 2.218 20 5 CEBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002239 811328583 /nfs/dbraw/zinc/32/85/83/811328583.db2.gz JQALFUHUYIURNS-ZOBORPQBSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1nc2ccccn2c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005775 811329746 /nfs/dbraw/zinc/32/97/46/811329746.db2.gz CYACXTCLFAHXRY-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3nccnc23)C1 ZINC001169005841 811330169 /nfs/dbraw/zinc/33/01/69/811330169.db2.gz UZWLLYGVEXVAFJ-DGCLKSJQSA-N 1 0 286.335 2.165 20 5 CEBDRO CC(C)c1nc(CC[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169012008 811334553 /nfs/dbraw/zinc/33/45/53/811334553.db2.gz OMLJDEIANCXXSD-RYUDHWBXSA-N 1 0 296.371 2.113 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncc(Cl)c2)C1 ZINC001168987891 811337151 /nfs/dbraw/zinc/33/71/51/811337151.db2.gz LDLLSUWDZBDSKK-CABZTGNLSA-N 1 0 269.732 2.270 20 5 CEBDRO COC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987941 811337824 /nfs/dbraw/zinc/33/78/24/811337824.db2.gz LNKLZDVFAWEISJ-YUELXQCFSA-N 1 0 278.352 2.409 20 5 CEBDRO COc1cc(F)cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168988115 811337992 /nfs/dbraw/zinc/33/79/92/811337992.db2.gz OAIFBSDNSHVOFW-GXFFZTMASA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2F)C1 ZINC001168988122 811338387 /nfs/dbraw/zinc/33/83/87/811338387.db2.gz OBCFQVWZWZABNB-GXSJLCMTSA-N 1 0 268.288 2.066 20 5 CEBDRO CCN(CC)CC[N@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026567 811355009 /nfs/dbraw/zinc/35/50/09/811355009.db2.gz MYCJVBBNHPXSJU-KBPBESRZSA-N 1 0 271.405 2.096 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001169725088 811644017 /nfs/dbraw/zinc/64/40/17/811644017.db2.gz HPRFSUDIFOFAKO-UHFFFAOYSA-N 1 0 251.673 2.498 20 5 CEBDRO Cc1ccnc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157010009 811983538 /nfs/dbraw/zinc/98/35/38/811983538.db2.gz NTDYNOIILXJBMI-GFCCVEGCSA-N 1 0 278.356 2.217 20 5 CEBDRO COc1ccc(C[C@H](C)n2ccc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170295647 812374506 /nfs/dbraw/zinc/37/45/06/812374506.db2.gz DBNHNAWFCLLHES-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)n2nccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170294909 812374929 /nfs/dbraw/zinc/37/49/29/812374929.db2.gz FENITXIEFDJOGO-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO COCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897261 815539784 /nfs/dbraw/zinc/53/97/84/815539784.db2.gz YLVRYOALRQBIEW-CQSZACIVSA-N 1 0 278.352 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](O)C1)CC2 ZINC001172903374 815540563 /nfs/dbraw/zinc/54/05/63/815540563.db2.gz GWJSVBFQDCEZGC-HOCLYGCPSA-N 1 0 290.363 2.299 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(O)CC1)CC2 ZINC001172908308 815541067 /nfs/dbraw/zinc/54/10/67/815541067.db2.gz LQKVCCHSWUQURK-CQSZACIVSA-N 1 0 290.363 2.299 20 5 CEBDRO CC1(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001131482244 812679040 /nfs/dbraw/zinc/67/90/40/812679040.db2.gz AESZHTVHILAKIM-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO CC(C)[N@@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494755 812751624 /nfs/dbraw/zinc/75/16/24/812751624.db2.gz QBNQMVHZESALRZ-JTQLQIEISA-N 1 0 282.319 2.048 20 5 CEBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC001170620627 812876849 /nfs/dbraw/zinc/87/68/49/812876849.db2.gz HNPBHGTTZIKPMN-DTWKUNHWSA-N 1 0 283.303 2.424 20 5 CEBDRO Nc1cc2nc3ccccc3nc2cc1NC1=CC[NH2+]C1 ZINC001159523994 813502594 /nfs/dbraw/zinc/50/25/94/813502594.db2.gz YHHBMVYQLDCWSP-UHFFFAOYSA-N 1 0 277.331 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[NH+]1CCC1 ZINC000697901750 814654609 /nfs/dbraw/zinc/65/46/09/814654609.db2.gz BKJNZEILTSHDSM-UHFFFAOYSA-N 1 0 255.705 2.366 20 5 CEBDRO CN1CC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000712544732 814765111 /nfs/dbraw/zinc/76/51/11/814765111.db2.gz ZABDRJRSNAUBKR-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712548729 814765652 /nfs/dbraw/zinc/76/56/52/814765652.db2.gz OBADQBOXOXROKR-MRVPVSSYSA-N 1 0 293.352 2.106 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000713505296 814860647 /nfs/dbraw/zinc/86/06/47/814860647.db2.gz DBSBFXLFXPDZMJ-VQTKUKTRSA-N 1 0 262.309 2.350 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000714463768 814906713 /nfs/dbraw/zinc/90/67/13/814906713.db2.gz DMCTXLYLDQYQKN-TXEJJXNPSA-N 1 0 250.298 2.109 20 5 CEBDRO CC/C=C(\C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124344647 815611058 /nfs/dbraw/zinc/61/10/58/815611058.db2.gz OAGHJWNFNNOGHP-UUILKARUSA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnccn1 ZINC001173216433 815623541 /nfs/dbraw/zinc/62/35/41/815623541.db2.gz JJZIRJRHFPKBTH-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC001173218916 815624870 /nfs/dbraw/zinc/62/48/70/815624870.db2.gz TWUNBGKBJIMKLI-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001173224364 815627213 /nfs/dbraw/zinc/62/72/13/815627213.db2.gz FFCWOBMQFXWXQT-BNOWGMLFSA-N 1 0 296.342 2.178 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001173222676 815627985 /nfs/dbraw/zinc/62/79/85/815627985.db2.gz UGTZMLOOCHTBCQ-ZOWXZIJZSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001173223552 815628201 /nfs/dbraw/zinc/62/82/01/815628201.db2.gz AVSXDRVILQJUJO-JMSVASOKSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCN(C)C1 ZINC001173226042 815629360 /nfs/dbraw/zinc/62/93/60/815629360.db2.gz HFMKPOHHQDHOKY-SWLSCSKDSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C(F)(F)F ZINC001173234553 815634044 /nfs/dbraw/zinc/63/40/44/815634044.db2.gz PJYSDMSVSBPEEE-GZMMTYOYSA-N 1 0 292.257 2.039 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(F)cn1 ZINC001173210808 815634973 /nfs/dbraw/zinc/63/49/73/815634973.db2.gz OBVKVRGGPJFORO-JTQLQIEISA-N 1 0 290.298 2.245 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccn1 ZINC001173209821 815635199 /nfs/dbraw/zinc/63/51/99/815635199.db2.gz GIKREFVVOYRVRB-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCCO1 ZINC001173209203 815635873 /nfs/dbraw/zinc/63/58/73/815635873.db2.gz AJNWMNKFONGMIB-CYBMUJFWSA-N 1 0 293.367 2.143 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCOCC1 ZINC001173213130 815637433 /nfs/dbraw/zinc/63/74/33/815637433.db2.gz DTUWHJIJECSCNW-LLVKDONJSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1 ZINC001173213502 815637442 /nfs/dbraw/zinc/63/74/42/815637442.db2.gz HYGSUPGDFURUIG-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C2CC2)n1 ZINC000124352661 187133745 /nfs/dbraw/zinc/13/37/45/187133745.db2.gz JQDFGBLPGCJBMB-SNVBAGLBSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289890 346813833 /nfs/dbraw/zinc/81/38/33/346813833.db2.gz VVIHSXNBNHWZKH-FOGDFJRCSA-N 1 0 250.298 2.016 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291822 346814058 /nfs/dbraw/zinc/81/40/58/346814058.db2.gz ODMOCVYMBPRCTM-MXWKQRLJSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000449103138 282101001 /nfs/dbraw/zinc/10/10/01/282101001.db2.gz OTWPRVJYBMPAMC-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127719841 187328446 /nfs/dbraw/zinc/32/84/46/187328446.db2.gz HJOKXZRWCPAACI-CYBMUJFWSA-N 1 0 279.340 2.040 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449132580 282112438 /nfs/dbraw/zinc/11/24/38/282112438.db2.gz AUVLAHZMECKNPF-JTQLQIEISA-N 1 0 290.323 2.050 20 5 CEBDRO C[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124967111 187163484 /nfs/dbraw/zinc/16/34/84/187163484.db2.gz BDUIFFXBWBBYPT-VIFPVBQESA-N 1 0 293.348 2.189 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125201801 187174209 /nfs/dbraw/zinc/17/42/09/187174209.db2.gz GMPIXKYLOVMLSO-TZMCWYRMSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCCCO)cc1 ZINC000083392006 178398294 /nfs/dbraw/zinc/39/82/94/178398294.db2.gz FQXACEQCFIMNJN-UHFFFAOYSA-N 1 0 252.314 2.237 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781540 361857854 /nfs/dbraw/zinc/85/78/54/361857854.db2.gz BTFPEPIHCSCGHF-ZDUSSCGKSA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N(C)C ZINC000449224157 282147929 /nfs/dbraw/zinc/14/79/29/282147929.db2.gz KTCGSNWFTQWCMF-VXGBXAGGSA-N 1 0 265.357 2.066 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000126041270 187212192 /nfs/dbraw/zinc/21/21/92/187212192.db2.gz QCDRAYAZJIEURL-BXKDBHETSA-N 1 0 277.324 2.230 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449419776 282228056 /nfs/dbraw/zinc/22/80/56/282228056.db2.gz HYFQBWWHCPWBTG-HIFRSBDPSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294986376 199285439 /nfs/dbraw/zinc/28/54/39/199285439.db2.gz HCNKPZHVUIXMGC-CMPLNLGQSA-N 1 0 288.294 2.397 20 5 CEBDRO CCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000042978117 362132268 /nfs/dbraw/zinc/13/22/68/362132268.db2.gz MIBLEXYMOXFQSY-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449493565 282257088 /nfs/dbraw/zinc/25/70/88/282257088.db2.gz FDINYSBHTRBAGD-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046860621 343505449 /nfs/dbraw/zinc/50/54/49/343505449.db2.gz BSRNJYQGMAUQLN-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)C ZINC000049442539 343537398 /nfs/dbraw/zinc/53/73/98/343537398.db2.gz MJNFOCRKFYWSQC-UHFFFAOYSA-N 1 0 279.340 2.430 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046860622 343504970 /nfs/dbraw/zinc/50/49/70/343504970.db2.gz BSRNJYQGMAUQLN-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1c(C[N@H+](CC(N)=O)C2CCCC2)cccc1[N+](=O)[O-] ZINC000052826688 343565856 /nfs/dbraw/zinc/56/58/56/343565856.db2.gz WXLICBNWZZZPTE-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000601973710 346947276 /nfs/dbraw/zinc/94/72/76/346947276.db2.gz JAKYOBUKKXYDOO-SNVBAGLBSA-N 1 0 297.380 2.164 20 5 CEBDRO CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000057001352 343623375 /nfs/dbraw/zinc/62/33/75/343623375.db2.gz WKHHLVPVOWPNKE-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000602170228 346986747 /nfs/dbraw/zinc/98/67/47/346986747.db2.gz IQSZRMGAWOBQJA-ZJUUUORDSA-N 1 0 297.380 2.115 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](C)SC)cc1[N+](=O)[O-] ZINC000128131011 187353826 /nfs/dbraw/zinc/35/38/26/187353826.db2.gz DIHLHCNXXMXAMR-VIFPVBQESA-N 1 0 270.354 2.445 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000295512176 199542927 /nfs/dbraw/zinc/54/29/27/199542927.db2.gz UZYMBMWVQQIWCI-ZWNOBZJWSA-N 1 0 266.366 2.478 20 5 CEBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000077995522 343939109 /nfs/dbraw/zinc/93/91/09/343939109.db2.gz MZFVLSWSGFSDMB-GFCCVEGCSA-N 1 0 293.367 2.283 20 5 CEBDRO CCCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168565 344075314 /nfs/dbraw/zinc/07/53/14/344075314.db2.gz GWPBZLGZPFCPDL-UHFFFAOYSA-N 1 0 293.323 2.330 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089931744 344132223 /nfs/dbraw/zinc/13/22/23/344132223.db2.gz FBIMKYZHUUVKHH-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO CCN(CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602430361 347029337 /nfs/dbraw/zinc/02/93/37/347029337.db2.gz YWXWEFAYTPXTDT-UHFFFAOYSA-N 1 0 292.257 2.428 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602441534 347034863 /nfs/dbraw/zinc/03/48/63/347034863.db2.gz OPYGUQVVBSTTDE-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC2)c(Cl)c1 ZINC000131483491 344358194 /nfs/dbraw/zinc/35/81/94/344358194.db2.gz YWIBZLRZOQKJGN-SECBINFHSA-N 1 0 256.689 2.127 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352558 344306028 /nfs/dbraw/zinc/30/60/28/344306028.db2.gz ALJYCOQBKZHWMV-JSGCOSHPSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1cc(OC[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000123456528 344310347 /nfs/dbraw/zinc/31/03/47/344310347.db2.gz YQOSOBIOJOMIOF-SECBINFHSA-N 1 0 254.261 2.031 20 5 CEBDRO COc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136479143 344385267 /nfs/dbraw/zinc/38/52/67/344385267.db2.gz IAPCZOBOTZEROB-NSHDSACASA-N 1 0 293.323 2.074 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050015581 362389568 /nfs/dbraw/zinc/38/95/68/362389568.db2.gz CUHXWXGFEJIYKH-BZPMIXESSA-N 1 0 277.368 2.413 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CC1)C1CC1 ZINC000157300960 344445799 /nfs/dbraw/zinc/44/57/99/344445799.db2.gz MFXLIXCNRNCHDU-CQSZACIVSA-N 1 0 290.363 2.278 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000160970850 344462226 /nfs/dbraw/zinc/46/22/26/344462226.db2.gz CSKFJZCYBROJLL-IUCAKERBSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161560962 344464807 /nfs/dbraw/zinc/46/48/07/344464807.db2.gz JKZZDQAHGAOBAI-KOLCDFICSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCSC2)cc1 ZINC000222021194 344539907 /nfs/dbraw/zinc/53/99/07/344539907.db2.gz WHEVAVCMRZWILC-SNVBAGLBSA-N 1 0 268.338 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000227751635 344556357 /nfs/dbraw/zinc/55/63/57/344556357.db2.gz QOHTWXZAHRIEMP-HIFRSBDPSA-N 1 0 278.352 2.278 20 5 CEBDRO COc1c(-c2nc([C@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000228560711 344561149 /nfs/dbraw/zinc/56/11/49/344561149.db2.gz XCNBYJJHZFFKQP-SECBINFHSA-N 1 0 290.279 2.078 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050104831 362400312 /nfs/dbraw/zinc/40/03/12/362400312.db2.gz ZKMIAIUZLAVIGA-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000449739294 282347867 /nfs/dbraw/zinc/34/78/67/282347867.db2.gz JWTYTFWZTQDGKD-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602498006 347057947 /nfs/dbraw/zinc/05/79/47/347057947.db2.gz CGQGZAKJHOBJON-NSHDSACASA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252894590 344642307 /nfs/dbraw/zinc/64/23/07/344642307.db2.gz WFMRGCBSYIUBEJ-QWRGUYRKSA-N 1 0 262.313 2.029 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000313872210 344743894 /nfs/dbraw/zinc/74/38/94/344743894.db2.gz ZQDYVHWLEAQWDW-LBPRGKRZSA-N 1 0 295.387 2.262 20 5 CEBDRO Cc1cc(C)c(OC[C@H](O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000314770839 344746228 /nfs/dbraw/zinc/74/62/28/344746228.db2.gz TWTBRHCYQSGMSX-CYBMUJFWSA-N 1 0 296.367 2.292 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000602551439 347073359 /nfs/dbraw/zinc/07/33/59/347073359.db2.gz DGIOYRKIQDIXEM-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000322484445 344753282 /nfs/dbraw/zinc/75/32/82/344753282.db2.gz LUSBMQYTCITBLH-MGCOHNPYSA-N 1 0 297.742 2.248 20 5 CEBDRO Cn1cc(CCC[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000602559501 347076650 /nfs/dbraw/zinc/07/66/50/347076650.db2.gz UVMOGSGXYDVELV-UHFFFAOYSA-N 1 0 288.351 2.093 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCC[NH+]1CCCCCC1 ZINC000401199920 344867207 /nfs/dbraw/zinc/86/72/07/344867207.db2.gz CYHJBUAMEPUFJG-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCF)CC2)c(F)c1 ZINC000402774808 344873745 /nfs/dbraw/zinc/87/37/45/344873745.db2.gz VHWJSCRQSKHMNG-UHFFFAOYSA-N 1 0 299.321 2.211 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404360342 344880169 /nfs/dbraw/zinc/88/01/69/344880169.db2.gz DXVZSVWCLXGEMM-AAEUAGOBSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762983 344881965 /nfs/dbraw/zinc/88/19/65/344881965.db2.gz KCQNXYIJSMWXDN-ZWKOPEQDSA-N 1 0 263.341 2.371 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000127351808 187298089 /nfs/dbraw/zinc/29/80/89/187298089.db2.gz DIKFHYZIAGSPHB-LLVKDONJSA-N 1 0 297.380 2.294 20 5 CEBDRO C[C@@H](CF)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207910 345072083 /nfs/dbraw/zinc/07/20/83/345072083.db2.gz ZIRCTCYIEBKFLE-UWVGGRQHSA-N 1 0 283.303 2.260 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000589502416 345084970 /nfs/dbraw/zinc/08/49/70/345084970.db2.gz SWNZDWCORMMGIH-GHMZBOCLSA-N 1 0 292.335 2.469 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCCC[NH2+]2)c1 ZINC000591426904 345250653 /nfs/dbraw/zinc/25/06/53/345250653.db2.gz FIPLKEBYEGEBGB-GFCCVEGCSA-N 1 0 286.335 2.119 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591436562 345253602 /nfs/dbraw/zinc/25/36/02/345253602.db2.gz BUZDDJKQXIHRDI-AAEUAGOBSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591438184 345254173 /nfs/dbraw/zinc/25/41/73/345254173.db2.gz MPKYNICSMDFLRG-PWSUYJOCSA-N 1 0 279.315 2.231 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590973011 345208696 /nfs/dbraw/zinc/20/86/96/345208696.db2.gz RKETVZQOUVJOKN-PWSUYJOCSA-N 1 0 291.307 2.393 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1sccc1[N+](=O)[O-] ZINC000591464231 345259878 /nfs/dbraw/zinc/25/98/78/345259878.db2.gz SUYWHGMDCATXRQ-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591767163 345278923 /nfs/dbraw/zinc/27/89/23/345278923.db2.gz OZELFNHTZREBOD-WDEREUQCSA-N 1 0 295.314 2.404 20 5 CEBDRO CC(C)([NH3+])CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591913257 345297954 /nfs/dbraw/zinc/29/79/54/345297954.db2.gz YPROEVJFHCFDQP-UHFFFAOYSA-N 1 0 264.329 2.018 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000592368051 345347015 /nfs/dbraw/zinc/34/70/15/345347015.db2.gz BIFHHGPPTJYHPX-JQWIXIFHSA-N 1 0 289.335 2.386 20 5 CEBDRO CC(C)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592432363 345352491 /nfs/dbraw/zinc/35/24/91/345352491.db2.gz FWDHHHASXHGIJJ-CQSZACIVSA-N 1 0 263.341 2.025 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000593023345 345424698 /nfs/dbraw/zinc/42/46/98/345424698.db2.gz QPQCCCSGUXRJOD-UHFFFAOYSA-N 1 0 290.319 2.414 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047779 345428623 /nfs/dbraw/zinc/42/86/23/345428623.db2.gz DSIQYFNENDZLJU-AAEUAGOBSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CF)CC2)c1 ZINC000295112972 199351474 /nfs/dbraw/zinc/35/14/74/199351474.db2.gz ITDUDVMHTPFUTP-AWEZNQCLSA-N 1 0 282.315 2.310 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000593688130 345521623 /nfs/dbraw/zinc/52/16/23/345521623.db2.gz WJUPPKQHGRTOSP-YPMHNXCESA-N 1 0 284.331 2.226 20 5 CEBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000594016817 345567228 /nfs/dbraw/zinc/56/72/28/345567228.db2.gz JFCCDHVNUFZSGZ-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000594016816 345567295 /nfs/dbraw/zinc/56/72/95/345567295.db2.gz JFCCDHVNUFZSGZ-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C(F)(F)F ZINC000594501416 345639183 /nfs/dbraw/zinc/63/91/83/345639183.db2.gz VPABRHPHRMNNMJ-GXSJLCMTSA-N 1 0 290.241 2.095 20 5 CEBDRO COC[C@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000594710222 345676560 /nfs/dbraw/zinc/67/65/60/345676560.db2.gz JPJDYZUKCUKTMT-RISCZKNCSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1c(C(=O)N2CCCCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000602579975 347087053 /nfs/dbraw/zinc/08/70/53/347087053.db2.gz VNNSCRJTBMRSJJ-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc2n1CCC2 ZINC000594929854 345706331 /nfs/dbraw/zinc/70/63/31/345706331.db2.gz OSLGPXGOVKPYQQ-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCO ZINC000595009881 345726073 /nfs/dbraw/zinc/72/60/73/345726073.db2.gz UEMSYFLYYCQPMV-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000595009266 345726135 /nfs/dbraw/zinc/72/61/35/345726135.db2.gz BHHUCHZXEVRANZ-GHMZBOCLSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000595045081 345734274 /nfs/dbraw/zinc/73/42/74/345734274.db2.gz RCYKITGYODNLOE-NSHDSACASA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000595050076 345734873 /nfs/dbraw/zinc/73/48/73/345734873.db2.gz FSLDSKYKTMHCDG-ZWKOPEQDSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(CO)CC1 ZINC000595050714 345735018 /nfs/dbraw/zinc/73/50/18/345735018.db2.gz JOLHHXHSNHBUJM-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595343708 345765868 /nfs/dbraw/zinc/76/58/68/345765868.db2.gz CTKOISBVIXWMGZ-LBPRGKRZSA-N 1 0 296.371 2.055 20 5 CEBDRO COC[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000595388051 345772039 /nfs/dbraw/zinc/77/20/39/345772039.db2.gz SYQJZVSRAXZYNX-AWEZNQCLSA-N 1 0 294.351 2.221 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000595387226 345772615 /nfs/dbraw/zinc/77/26/15/345772615.db2.gz BYGIPVNAABKTJI-SMDDNHRTSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457899 345788194 /nfs/dbraw/zinc/78/81/94/345788194.db2.gz CWSPIQVBBWZOOM-SKDRFNHKSA-N 1 0 268.288 2.249 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595515587 345801437 /nfs/dbraw/zinc/80/14/37/345801437.db2.gz YRJDOKNFJSGTBU-UTUOFQBUSA-N 1 0 295.339 2.017 20 5 CEBDRO CO[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1(C)C ZINC000595519631 345802033 /nfs/dbraw/zinc/80/20/33/345802033.db2.gz APJOEAZXHYZLDI-NSHDSACASA-N 1 0 283.328 2.138 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595633170 345833500 /nfs/dbraw/zinc/83/35/00/345833500.db2.gz OMGBTPVEUSRKLH-KWCYVHTRSA-N 1 0 276.336 2.188 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595828998 345888472 /nfs/dbraw/zinc/88/84/72/345888472.db2.gz GCMCGLRZODHZSE-QWHCGFSZSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757099 345868109 /nfs/dbraw/zinc/86/81/09/345868109.db2.gz ZDRXFDOFGFUENM-OCCSQVGLSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595764993 345870116 /nfs/dbraw/zinc/87/01/16/345870116.db2.gz FUWFQPCWHMDWNY-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595780827 345875164 /nfs/dbraw/zinc/87/51/64/345875164.db2.gz IUEHAZBONKZKMO-CHWSQXEVSA-N 1 0 280.299 2.127 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595780830 345875303 /nfs/dbraw/zinc/87/53/03/345875303.db2.gz IUEHAZBONKZKMO-STQMWFEESA-N 1 0 280.299 2.127 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595780828 345875543 /nfs/dbraw/zinc/87/55/43/345875543.db2.gz IUEHAZBONKZKMO-OLZOCXBDSA-N 1 0 280.299 2.127 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809605 345880861 /nfs/dbraw/zinc/88/08/61/345880861.db2.gz HZGOAHBAHMECRC-JQWIXIFHSA-N 1 0 262.309 2.445 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC2CC1(C[NH3+])C2 ZINC000595908128 345910810 /nfs/dbraw/zinc/91/08/10/345910810.db2.gz FFTRZROHZDAXQQ-CDWSIMAYSA-N 1 0 261.325 2.079 20 5 CEBDRO Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000174234320 232290657 /nfs/dbraw/zinc/29/06/57/232290657.db2.gz JYUZRQWLTJRHPR-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CCCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596082867 345935961 /nfs/dbraw/zinc/93/59/61/345935961.db2.gz OLJODPYAZWYUHE-UHFFFAOYSA-N 1 0 294.355 2.372 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596124469 345945148 /nfs/dbraw/zinc/94/51/48/345945148.db2.gz XOXWHDWQYLJQAV-AWEZNQCLSA-N 1 0 292.339 2.085 20 5 CEBDRO C[NH+](C)CC1CN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000596248424 345980008 /nfs/dbraw/zinc/98/00/08/345980008.db2.gz XEEQLYRPKQDPMJ-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)c1 ZINC000596429499 346021308 /nfs/dbraw/zinc/02/13/08/346021308.db2.gz HYYRGBATESFFMZ-SNVBAGLBSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@@H](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000596431793 346022132 /nfs/dbraw/zinc/02/21/32/346022132.db2.gz NEPIQQGLHWOXRN-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO C[C@@H](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000596432592 346022848 /nfs/dbraw/zinc/02/28/48/346022848.db2.gz RCCUAOBJZCBKNO-JTQLQIEISA-N 1 0 278.356 2.315 20 5 CEBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596433195 346022851 /nfs/dbraw/zinc/02/28/51/346022851.db2.gz RZGKCFYJISGQEW-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000596327053 346000585 /nfs/dbraw/zinc/00/05/85/346000585.db2.gz MZVWYHXHQCHZSM-JTQLQIEISA-N 1 0 264.329 2.275 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652856 346072012 /nfs/dbraw/zinc/07/20/12/346072012.db2.gz JISAOLUXKDKUTG-FZMZJTMJSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000597236279 346157491 /nfs/dbraw/zinc/15/74/91/346157491.db2.gz PCZROVKOVUVQNR-WFASDCNBSA-N 1 0 278.352 2.354 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000597946634 346255953 /nfs/dbraw/zinc/25/59/53/346255953.db2.gz QYJKGSSTYSRYBY-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[N@H+](C)C1 ZINC000597947570 346256632 /nfs/dbraw/zinc/25/66/32/346256632.db2.gz YXZQZRRYIBFIPI-SNVBAGLBSA-N 1 0 297.380 2.131 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062161053 362713322 /nfs/dbraw/zinc/71/33/22/362713322.db2.gz XIZKGWBLLFYQLG-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598720326 346407357 /nfs/dbraw/zinc/40/73/57/346407357.db2.gz PZOYLIOUEGCANL-DZGCQCFKSA-N 1 0 275.352 2.216 20 5 CEBDRO CN(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)F ZINC000599022178 346447814 /nfs/dbraw/zinc/44/78/14/346447814.db2.gz IOQRJZFOYLWAOU-GQCTYLIASA-N 1 0 299.321 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc1 ZINC000599125696 346463863 /nfs/dbraw/zinc/46/38/63/346463863.db2.gz AKDLRGDYJDPSHM-ZDUSSCGKSA-N 1 0 290.367 2.231 20 5 CEBDRO [NH3+]CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000602599584 347094646 /nfs/dbraw/zinc/09/46/46/347094646.db2.gz CEYDIIIIFDEIAX-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO Cc1sc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000129011405 365817311 /nfs/dbraw/zinc/81/73/11/365817311.db2.gz XCXNLPRCURTPNF-UHFFFAOYSA-N 1 0 297.380 2.036 20 5 CEBDRO COc1ccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063196017 362758508 /nfs/dbraw/zinc/75/85/08/362758508.db2.gz AQWIUBBJGBRLIL-DGCLKSJQSA-N 1 0 293.367 2.305 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599593965 346544147 /nfs/dbraw/zinc/54/41/47/346544147.db2.gz IDLLYEQFDPQETQ-ONGXEEELSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599601500 346544647 /nfs/dbraw/zinc/54/46/47/346544647.db2.gz WKORJKASPJCXJE-WDEREUQCSA-N 1 0 292.339 2.084 20 5 CEBDRO Cc1ccc([C@H](C)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000600142488 346604908 /nfs/dbraw/zinc/60/49/08/346604908.db2.gz OOCOSTXCHHPBBT-CYBMUJFWSA-N 1 0 288.351 2.493 20 5 CEBDRO C/C=C/C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690705 346568512 /nfs/dbraw/zinc/56/85/12/346568512.db2.gz PJZMUESAOFRQPD-IBUXWKBASA-N 1 0 278.356 2.470 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600715061 346676565 /nfs/dbraw/zinc/67/65/65/346676565.db2.gz XNICHNXOWVIFNT-VQISRLSMSA-N 1 0 275.352 2.312 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000600750933 346684322 /nfs/dbraw/zinc/68/43/22/346684322.db2.gz XTRYPRNBUXBFSS-GASCZTMLSA-N 1 0 275.352 2.026 20 5 CEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601169887 346775700 /nfs/dbraw/zinc/77/57/00/346775700.db2.gz QHTHBYKOGDQNJS-CQSZACIVSA-N 1 0 294.330 2.051 20 5 CEBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616201 347104352 /nfs/dbraw/zinc/10/43/52/347104352.db2.gz ILHSBKRBAGPBHO-RYUDHWBXSA-N 1 0 296.371 2.010 20 5 CEBDRO C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000601199474 346785278 /nfs/dbraw/zinc/78/52/78/346785278.db2.gz VOUKXOWGTVHKGQ-SSDOTTSWSA-N 1 0 265.248 2.036 20 5 CEBDRO CCC[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000602642544 347118796 /nfs/dbraw/zinc/11/87/96/347118796.db2.gz YZYPGEOUEPLGND-ZDUSSCGKSA-N 1 0 296.371 2.243 20 5 CEBDRO Cn1cc(C[N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602685467 347145384 /nfs/dbraw/zinc/14/53/84/347145384.db2.gz GXOMHNLWZJDTRT-GVUJHPQVSA-N 1 0 290.367 2.196 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602693122 347151012 /nfs/dbraw/zinc/15/10/12/347151012.db2.gz LZKANQGATGOARG-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO Cn1cc(C[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])n1 ZINC000602699640 347155233 /nfs/dbraw/zinc/15/52/33/347155233.db2.gz JNQVVOXRJLRUFN-UHFFFAOYSA-N 1 0 254.334 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000602710372 347163942 /nfs/dbraw/zinc/16/39/42/347163942.db2.gz TWXSAYMGAIOOBL-LBPRGKRZSA-N 1 0 286.278 2.151 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000236929245 370657872 /nfs/dbraw/zinc/65/78/72/370657872.db2.gz XDBJJWVBHMZTTC-CYBMUJFWSA-N 1 0 293.367 2.405 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccsc2C1 ZINC000602798653 347203541 /nfs/dbraw/zinc/20/35/41/347203541.db2.gz MSWAPVWSFHBISO-UHFFFAOYSA-N 1 0 292.364 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CC1)C1CCC1 ZINC000602819703 347212933 /nfs/dbraw/zinc/21/29/33/347212933.db2.gz DRJHGPXGLDNINR-UHFFFAOYSA-N 1 0 278.356 2.364 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602750838 347185137 /nfs/dbraw/zinc/18/51/37/347185137.db2.gz FCQSPYKOIMOYHD-GFCCVEGCSA-N 1 0 281.381 2.182 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000602752356 347185331 /nfs/dbraw/zinc/18/53/31/347185331.db2.gz MIYRNPUTUAUZDR-MRXNPFEDSA-N 1 0 289.379 2.163 20 5 CEBDRO Cc1noc(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000602873776 347233741 /nfs/dbraw/zinc/23/37/41/347233741.db2.gz LEALCPUEUZVGPR-GFCCVEGCSA-N 1 0 296.371 2.053 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C1(C)C ZINC000603399984 347359346 /nfs/dbraw/zinc/35/93/46/347359346.db2.gz GDHJJQMUPUIINQ-WDEREUQCSA-N 1 0 264.329 2.130 20 5 CEBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000603837392 347391168 /nfs/dbraw/zinc/39/11/68/347391168.db2.gz NDTSHJHLMMGTJQ-NSHDSACASA-N 1 0 276.296 2.298 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351847501 219224347 /nfs/dbraw/zinc/22/43/47/219224347.db2.gz AAVXXLWOXPTUAD-NEPJUHHUSA-N 1 0 293.367 2.163 20 5 CEBDRO CN(CCOC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000610161012 347661995 /nfs/dbraw/zinc/66/19/95/347661995.db2.gz INANEMGRLOCBTG-AWEZNQCLSA-N 1 0 294.351 2.222 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610282346 347669661 /nfs/dbraw/zinc/66/96/61/347669661.db2.gz MZKKHJNZPWADIJ-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000611370855 347770817 /nfs/dbraw/zinc/77/08/17/347770817.db2.gz SEDKWCKSBLGGEL-RKDXNWHRSA-N 1 0 287.410 2.138 20 5 CEBDRO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000610965055 347726258 /nfs/dbraw/zinc/72/62/58/347726258.db2.gz IOKNAWDXMBZANK-NSHDSACASA-N 1 0 291.351 2.036 20 5 CEBDRO CC(C)C([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000611434030 347779272 /nfs/dbraw/zinc/77/92/72/347779272.db2.gz GONFXLMACZASFP-UHFFFAOYSA-N 1 0 254.334 2.062 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000611254710 347759564 /nfs/dbraw/zinc/75/95/64/347759564.db2.gz KWCPHLNDNRWBSO-UHFFFAOYSA-N 1 0 262.309 2.373 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccsc1 ZINC000611567871 347795418 /nfs/dbraw/zinc/79/54/18/347795418.db2.gz NQMNFFQDJKABBI-UHFFFAOYSA-N 1 0 280.353 2.293 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCF)C2)nc1 ZINC000351872543 219232799 /nfs/dbraw/zinc/23/27/99/219232799.db2.gz DNKJLDRYKUJPEP-NSHDSACASA-N 1 0 282.319 2.226 20 5 CEBDRO CC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000614976626 348262474 /nfs/dbraw/zinc/26/24/74/348262474.db2.gz ULTZZBSPLOVBIM-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ccncc1[N+](=O)[O-] ZINC000066808654 362886238 /nfs/dbraw/zinc/88/62/38/362886238.db2.gz JJXGAUYQTUVDJE-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CCN(CCC[NH+](C)C)c1sccc1[N+](=O)[O-] ZINC000615727127 348382336 /nfs/dbraw/zinc/38/23/36/348382336.db2.gz SLJQSSFRTWLVSD-UHFFFAOYSA-N 1 0 257.359 2.434 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273450052 192155791 /nfs/dbraw/zinc/15/57/91/192155791.db2.gz YOPJDPWLHPNLQY-CJNGLKHVSA-N 1 0 289.379 2.429 20 5 CEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000089107675 179703799 /nfs/dbraw/zinc/70/37/99/179703799.db2.gz IXROFWVXBKEXPT-MFKMUULPSA-N 1 0 292.339 2.234 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823375 349238016 /nfs/dbraw/zinc/23/80/16/349238016.db2.gz YQDTZMMZWUQRBP-KBPBESRZSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000619531790 349194955 /nfs/dbraw/zinc/19/49/55/349194955.db2.gz PMNNCNDYOFVWEV-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000090692215 180024375 /nfs/dbraw/zinc/02/43/75/180024375.db2.gz KALRLVOLIZRMBD-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774023 180038305 /nfs/dbraw/zinc/03/83/05/180038305.db2.gz JJCMPJZQGFCINQ-MNOVXSKESA-N 1 0 250.298 2.343 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847942 180044090 /nfs/dbraw/zinc/04/40/90/180044090.db2.gz XHZBROFGIDSXBJ-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061935 233326296 /nfs/dbraw/zinc/32/62/96/233326296.db2.gz ANLZDWHTYGTCMK-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000091549562 180189086 /nfs/dbraw/zinc/18/90/86/180189086.db2.gz HMUJHZXXPIBOFS-LBPRGKRZSA-N 1 0 295.387 2.262 20 5 CEBDRO CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000092026730 180308319 /nfs/dbraw/zinc/30/83/19/180308319.db2.gz JNIKGACFFXKTIO-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000352194934 219355555 /nfs/dbraw/zinc/35/55/55/219355555.db2.gz MRFVWZCXXIFXNF-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO COC1CC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352212133 219365291 /nfs/dbraw/zinc/36/52/91/219365291.db2.gz NVBUXRBKOAOUGR-UHFFFAOYSA-N 1 0 250.298 2.204 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000109705472 186269130 /nfs/dbraw/zinc/26/91/30/186269130.db2.gz IZXKISDZTOFTRX-LJLILKBBSA-N 1 0 291.351 2.098 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000109805110 186273740 /nfs/dbraw/zinc/27/37/40/186273740.db2.gz PRDHRDUYIBPHFE-CYBMUJFWSA-N 1 0 263.341 2.121 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018658 186345270 /nfs/dbraw/zinc/34/52/70/186345270.db2.gz URWVKBMRHJBSTL-OCCSQVGLSA-N 1 0 291.351 2.304 20 5 CEBDRO Cc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000130980395 366011311 /nfs/dbraw/zinc/01/13/11/366011311.db2.gz CKNHSBMBDJEKNY-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070172229 363045432 /nfs/dbraw/zinc/04/54/32/363045432.db2.gz WIJSHFLJRBFFQV-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359539 363076039 /nfs/dbraw/zinc/07/60/39/363076039.db2.gz VGDZWGAGDFCHMD-WCQYABFASA-N 1 0 264.325 2.294 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000122108911 187015211 /nfs/dbraw/zinc/01/52/11/187015211.db2.gz FMTZXQMVNBYFQF-LBPRGKRZSA-N 1 0 285.369 2.150 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCCCC1 ZINC000122504152 187035231 /nfs/dbraw/zinc/03/52/31/187035231.db2.gz ZGZYKUVXYATCBN-UHFFFAOYSA-N 1 0 297.380 2.438 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576277 363098221 /nfs/dbraw/zinc/09/82/21/363098221.db2.gz CLFKZVVENFFEEI-YPMHNXCESA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1nn(C)c(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000450880078 282816404 /nfs/dbraw/zinc/81/64/04/282816404.db2.gz WAQCGEIPPMLOTA-UHFFFAOYSA-N 1 0 293.371 2.066 20 5 CEBDRO COCC(C)(C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292253065 198219143 /nfs/dbraw/zinc/21/91/43/198219143.db2.gz XVROVEOKVYKATC-UHFFFAOYSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153241195 188072762 /nfs/dbraw/zinc/07/27/62/188072762.db2.gz LRZDBWAJWHJRIM-AWEZNQCLSA-N 1 0 264.325 2.330 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153804028 188104625 /nfs/dbraw/zinc/10/46/25/188104625.db2.gz QRSWMTGSVWOFKB-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@H]1OCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000156162981 188246338 /nfs/dbraw/zinc/24/63/38/188246338.db2.gz ZYDFNDOPJBJTHO-CHWSQXEVSA-N 1 0 294.351 2.473 20 5 CEBDRO CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292555966 198330710 /nfs/dbraw/zinc/33/07/10/198330710.db2.gz YXOOEWDZWWEEGF-LLVKDONJSA-N 1 0 277.324 2.408 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132567134 366153764 /nfs/dbraw/zinc/15/37/64/366153764.db2.gz ARHLCWIULVEPPJ-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000338172164 366219563 /nfs/dbraw/zinc/21/95/63/366219563.db2.gz HNHLRERGFSTNOI-CYBMUJFWSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553177 283032045 /nfs/dbraw/zinc/03/20/45/283032045.db2.gz XSFLUQPNQBVAEP-DGCLKSJQSA-N 1 0 264.325 2.155 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133523845 366232643 /nfs/dbraw/zinc/23/26/43/366232643.db2.gz QMYNBBRDOADCAI-NXEZZACHSA-N 1 0 262.313 2.027 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000074765092 363386652 /nfs/dbraw/zinc/38/66/52/363386652.db2.gz JASHHANWGHDOFB-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569929351 299227341 /nfs/dbraw/zinc/22/73/41/299227341.db2.gz PRBQDUMVMPGDPN-GHMZBOCLSA-N 1 0 293.367 2.376 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451963989 283152825 /nfs/dbraw/zinc/15/28/25/283152825.db2.gz IKPZSCJZWYEJMF-ZDUSSCGKSA-N 1 0 296.396 2.010 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCC[NH2+]C2CCCCC2)nc1 ZINC000273599294 192225273 /nfs/dbraw/zinc/22/52/73/192225273.db2.gz JCBAGNKPOYFWCI-UHFFFAOYSA-N 1 0 279.344 2.109 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000452032588 283164906 /nfs/dbraw/zinc/16/49/06/283164906.db2.gz WSMUFZBOYITYDU-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067724 283176267 /nfs/dbraw/zinc/17/62/67/283176267.db2.gz IXELBPMEUTYSOM-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000075960934 363502365 /nfs/dbraw/zinc/50/23/65/363502365.db2.gz ZSWWMTXKJYMUPH-SNVBAGLBSA-N 1 0 292.339 2.199 20 5 CEBDRO COc1cccc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000134917819 366372266 /nfs/dbraw/zinc/37/22/66/366372266.db2.gz JLZWQGIDJVVGKI-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[NH+](CC)CC ZINC000340857279 215740750 /nfs/dbraw/zinc/74/07/50/215740750.db2.gz OCEHDJOOPADOCU-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO Cc1cccc(C(=O)NCCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000294724090 199152907 /nfs/dbraw/zinc/15/29/07/199152907.db2.gz BDOKCKYVIVNKBI-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414798419 236484531 /nfs/dbraw/zinc/48/45/31/236484531.db2.gz JBDJWNZRWWETMY-QMTHXVAHSA-N 1 0 281.331 2.341 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)o2)c1 ZINC000294832591 199203177 /nfs/dbraw/zinc/20/31/77/199203177.db2.gz LRNYVLNUOBZKMS-BJHJDKERSA-N 1 0 288.303 2.468 20 5 CEBDRO CCc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000570850938 299281145 /nfs/dbraw/zinc/28/11/45/299281145.db2.gz FAXVKFHFZVODRO-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000338768979 366513726 /nfs/dbraw/zinc/51/37/26/366513726.db2.gz VTCANQSBGGFWEG-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)O ZINC000274746260 192752636 /nfs/dbraw/zinc/75/26/36/192752636.db2.gz LKKLTSWAQGFKIY-UHFFFAOYSA-N 1 0 282.340 2.244 20 5 CEBDRO CC(=O)c1cc(N2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000579388496 366640212 /nfs/dbraw/zinc/64/02/12/366640212.db2.gz VNFHJRCCJRLNMT-WDEREUQCSA-N 1 0 291.351 2.326 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571305645 299303242 /nfs/dbraw/zinc/30/32/42/299303242.db2.gz RBGNSOHUSJBUSY-STQMWFEESA-N 1 0 275.352 2.421 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000177444997 189051729 /nfs/dbraw/zinc/05/17/29/189051729.db2.gz HYULXGKOXHSZDS-NXEZZACHSA-N 1 0 297.380 2.259 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081519055 363723336 /nfs/dbraw/zinc/72/33/36/363723336.db2.gz LRCKCDHGVYATRJ-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177466864 189053285 /nfs/dbraw/zinc/05/32/85/189053285.db2.gz VXOYAOZHSIVRNY-GHMZBOCLSA-N 1 0 297.380 2.259 20 5 CEBDRO COCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000081713523 363737053 /nfs/dbraw/zinc/73/70/53/363737053.db2.gz YGCVKGXSIOFLBA-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+](CCn2cccn2)C2CC2)c1 ZINC000177998920 189084847 /nfs/dbraw/zinc/08/48/47/189084847.db2.gz IGXBXOWHVOHXLG-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342323504 216311097 /nfs/dbraw/zinc/31/10/97/216311097.db2.gz HTWVYRIMUGMRFT-OUAUKWLOSA-N 1 0 252.314 2.323 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342323501 216311883 /nfs/dbraw/zinc/31/18/83/216311883.db2.gz HTWVYRIMUGMRFT-DCAQKATOSA-N 1 0 252.314 2.323 20 5 CEBDRO C[NH+](C)C1(CNc2ccncc2[N+](=O)[O-])CCCCC1 ZINC000340152184 366783270 /nfs/dbraw/zinc/78/32/70/366783270.db2.gz RWOIQIFFXBNYTR-UHFFFAOYSA-N 1 0 278.356 2.088 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000019476573 361537235 /nfs/dbraw/zinc/53/72/35/361537235.db2.gz CSEGGGPRAIZKRN-NSHDSACASA-N 1 0 265.313 2.215 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301804471 201208042 /nfs/dbraw/zinc/20/80/42/201208042.db2.gz DPOWAWZLURECSC-ZDUSSCGKSA-N 1 0 293.367 2.426 20 5 CEBDRO CN(CCC[NH+](C)C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000302034203 201309820 /nfs/dbraw/zinc/30/98/20/201309820.db2.gz TXJWUXMBUVAZPT-UHFFFAOYSA-N 1 0 273.283 2.261 20 5 CEBDRO CC[N@H+](C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439977 363811154 /nfs/dbraw/zinc/81/11/54/363811154.db2.gz NBDJBIVGYHWLAD-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089164942 363944073 /nfs/dbraw/zinc/94/40/73/363944073.db2.gz FQIYHTXUGFWBOU-OCCSQVGLSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530028 364062300 /nfs/dbraw/zinc/06/23/00/364062300.db2.gz ZWKLOCOFPIENEB-RYUDHWBXSA-N 1 0 279.340 2.019 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771825 364294243 /nfs/dbraw/zinc/29/42/43/364294243.db2.gz RXZUBEUPQDNQIT-VIFPVBQESA-N 1 0 277.328 2.223 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000102480218 364597200 /nfs/dbraw/zinc/59/72/00/364597200.db2.gz OUEDESKJOUTIPA-UHFFFAOYSA-N 1 0 299.396 2.425 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103452731 364656316 /nfs/dbraw/zinc/65/63/16/364656316.db2.gz KFBZUPLLSGFPDB-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000111828776 364762531 /nfs/dbraw/zinc/76/25/31/364762531.db2.gz GPQCJVCPCLVFRA-NSHDSACASA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000113516105 364903076 /nfs/dbraw/zinc/90/30/76/364903076.db2.gz GUDTVFKUUZFEGV-LLVKDONJSA-N 1 0 281.331 2.117 20 5 CEBDRO CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000275417574 193028560 /nfs/dbraw/zinc/02/85/60/193028560.db2.gz HEEVZSWMEAEYHM-OLZOCXBDSA-N 1 0 295.408 2.385 20 5 CEBDRO CC1(C)CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000119824273 365330644 /nfs/dbraw/zinc/33/06/44/365330644.db2.gz RTOLAUVGGIUJFV-NSHDSACASA-N 1 0 266.345 2.350 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000159096053 366876384 /nfs/dbraw/zinc/87/63/84/366876384.db2.gz YZJTXUYLASKLNZ-SMDDNHRTSA-N 1 0 294.351 2.339 20 5 CEBDRO COCC(COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000572355130 299361017 /nfs/dbraw/zinc/36/10/17/299361017.db2.gz XLGFASXLWDSKAK-NSHDSACASA-N 1 0 282.340 2.215 20 5 CEBDRO C[C@](O)(C[NH2+]CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582840949 366964672 /nfs/dbraw/zinc/96/46/72/366964672.db2.gz RMJLQLVQEYRKSK-NSHDSACASA-N 1 0 292.257 2.040 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC1([NH+](C)C)CCC1 ZINC000340871944 367067794 /nfs/dbraw/zinc/06/77/94/367067794.db2.gz PGRNHVUHIJZGHL-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@H](O)[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000161728159 367109128 /nfs/dbraw/zinc/10/91/28/367109128.db2.gz FXFOQGJODYQLKY-ONGXEEELSA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000162757816 367187298 /nfs/dbraw/zinc/18/72/98/367187298.db2.gz MLXOOPVBUCHVSO-DGCLKSJQSA-N 1 0 264.325 2.106 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000162808635 367191772 /nfs/dbraw/zinc/19/17/72/367191772.db2.gz FNZQDKNZHOOVTA-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1ccc([C@@H](C)NCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000168122236 367347130 /nfs/dbraw/zinc/34/71/30/367347130.db2.gz RUJIYAFZBXZFPZ-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766127 367409887 /nfs/dbraw/zinc/40/98/87/367409887.db2.gz LWCQSUQZJVQMQW-GFCCVEGCSA-N 1 0 264.325 2.248 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343275324 367739417 /nfs/dbraw/zinc/73/94/17/367739417.db2.gz TWPWIKNOLMCYBE-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000172594263 367785010 /nfs/dbraw/zinc/78/50/10/367785010.db2.gz VLJNHXJLEUZSIR-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173432251 367910853 /nfs/dbraw/zinc/91/08/53/367910853.db2.gz XLTNQLHCQJHFST-XDTLVQLUSA-N 1 0 250.298 2.159 20 5 CEBDRO COC(=O)c1cc(N[C@H](C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000343812255 368018262 /nfs/dbraw/zinc/01/82/62/368018262.db2.gz VDUMAAMUJSLZMM-SNVBAGLBSA-N 1 0 295.339 2.052 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175611828 368156251 /nfs/dbraw/zinc/15/62/51/368156251.db2.gz VASKANBXOQHPQZ-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO COC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000345307758 368228497 /nfs/dbraw/zinc/22/84/97/368228497.db2.gz SOEUERJLNFFRFW-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176189155 368209804 /nfs/dbraw/zinc/20/98/04/368209804.db2.gz XTPNJOYNZWLTPQ-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO C[N@@H+](CCc1cccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000176270880 368218109 /nfs/dbraw/zinc/21/81/09/368218109.db2.gz WOYILTGZOXIETA-UHFFFAOYSA-N 1 0 280.353 2.027 20 5 CEBDRO COC[C@@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178029897 368286369 /nfs/dbraw/zinc/28/63/69/368286369.db2.gz RFZQTYGUXLNVRS-NSHDSACASA-N 1 0 252.314 2.309 20 5 CEBDRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222125 368536348 /nfs/dbraw/zinc/53/63/48/368536348.db2.gz XWUOLIPUHICLTO-UPJWGTAASA-N 1 0 296.367 2.359 20 5 CEBDRO CC1=CCN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000358153330 370926881 /nfs/dbraw/zinc/92/68/81/370926881.db2.gz CZHKUVMQOSCPCS-UHFFFAOYSA-N 1 0 275.352 2.336 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)c1 ZINC000348259783 368972825 /nfs/dbraw/zinc/97/28/25/368972825.db2.gz AZECCGCOVLZSMS-HIFRSBDPSA-N 1 0 286.335 2.185 20 5 CEBDRO Cc1cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348181187 368937238 /nfs/dbraw/zinc/93/72/38/368937238.db2.gz NAHMSGAJFOOBOA-BETUJISGSA-N 1 0 292.383 2.395 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC1CC1 ZINC000348714862 369130057 /nfs/dbraw/zinc/13/00/57/369130057.db2.gz ZKYAPEUEKZSADN-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349238865 369274333 /nfs/dbraw/zinc/27/43/33/369274333.db2.gz HJGDHOWHLVLSOH-SNVBAGLBSA-N 1 0 261.281 2.476 20 5 CEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349466694 369334747 /nfs/dbraw/zinc/33/47/47/369334747.db2.gz OBMJHKUEMMLMCO-UHFFFAOYSA-N 1 0 296.371 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188799816 369410478 /nfs/dbraw/zinc/41/04/78/369410478.db2.gz KDMSBUDDTGJCMQ-ZPSXMKBBSA-N 1 0 276.336 2.359 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000350040159 369490155 /nfs/dbraw/zinc/49/01/55/369490155.db2.gz TZJBBCCGYDBGBH-UHFFFAOYSA-N 1 0 292.335 2.479 20 5 CEBDRO CO[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189296597 369490650 /nfs/dbraw/zinc/49/06/50/369490650.db2.gz LLRPSOPMFQNOKM-DOMZBBRYSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000350049587 369490991 /nfs/dbraw/zinc/49/09/91/369490991.db2.gz PCTODLAGKGSQJO-JTQLQIEISA-N 1 0 292.257 2.306 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000246580690 370981128 /nfs/dbraw/zinc/98/11/28/370981128.db2.gz MEMYFSMOMKXZBZ-IINYFYTJSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+](C)C ZINC000276464168 193341896 /nfs/dbraw/zinc/34/18/96/193341896.db2.gz CEIKBRSGSSDGOV-UHFFFAOYSA-N 1 0 299.758 2.238 20 5 CEBDRO C[C@@H]([NH2+]CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000192927292 369872905 /nfs/dbraw/zinc/87/29/05/369872905.db2.gz MJBRLZNCXOQMOT-LLVKDONJSA-N 1 0 252.314 2.408 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000352820182 369894673 /nfs/dbraw/zinc/89/46/73/369894673.db2.gz YQWAHNTXCUKFNG-ZWNOBZJWSA-N 1 0 282.365 2.315 20 5 CEBDRO CCCC[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362137 370030815 /nfs/dbraw/zinc/03/08/15/370030815.db2.gz XHXQMMOOWAJTJF-ZDUSSCGKSA-N 1 0 296.367 2.457 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000194360966 370031311 /nfs/dbraw/zinc/03/13/11/370031311.db2.gz AFTSRDGGTYOYQL-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023152 369986662 /nfs/dbraw/zinc/98/66/62/369986662.db2.gz GXDVIDJUVPTOJS-STQMWFEESA-N 1 0 294.351 2.065 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000353924273 370137786 /nfs/dbraw/zinc/13/77/86/370137786.db2.gz VSPRCFYZFBKJLL-SNVBAGLBSA-N 1 0 294.355 2.229 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000224148410 370276456 /nfs/dbraw/zinc/27/64/56/370276456.db2.gz JSWYZOABEIAEPE-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227650570 370377863 /nfs/dbraw/zinc/37/78/63/370377863.db2.gz NLMFPWGXWOHJTA-MRVPVSSYSA-N 1 0 272.736 2.395 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714854 370382052 /nfs/dbraw/zinc/38/20/52/370382052.db2.gz XTMPWJVJXBUPGX-KBPBESRZSA-N 1 0 282.340 2.297 20 5 CEBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000226253194 370333127 /nfs/dbraw/zinc/33/31/27/370333127.db2.gz TVKKSKVISNIVCG-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)c1 ZINC000228767010 370413709 /nfs/dbraw/zinc/41/37/09/370413709.db2.gz FJYRSMUCOZIBEB-UHFFFAOYSA-N 1 0 281.381 2.364 20 5 CEBDRO CCC[C@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000231393173 370479444 /nfs/dbraw/zinc/47/94/44/370479444.db2.gz CUQKDIPOWLZWKS-GFCCVEGCSA-N 1 0 266.341 2.483 20 5 CEBDRO CCc1nn(C)c(NC[C@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000234178102 370530033 /nfs/dbraw/zinc/53/00/33/370530033.db2.gz GLNSEDMAYMKNPH-LLVKDONJSA-N 1 0 295.387 2.081 20 5 CEBDRO [NH3+]CCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236214266 370585181 /nfs/dbraw/zinc/58/51/81/370585181.db2.gz UPECEUFQSRTTFK-UHFFFAOYSA-N 1 0 278.234 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000236417068 370588766 /nfs/dbraw/zinc/58/87/66/370588766.db2.gz PUXCRIRTNLYHQD-LSDHHAIUSA-N 1 0 292.335 2.131 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358836713 371241337 /nfs/dbraw/zinc/24/13/37/371241337.db2.gz ZGMNSQCXAMHMPS-UWVGGRQHSA-N 1 0 298.314 2.411 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249077833 371291908 /nfs/dbraw/zinc/29/19/08/371291908.db2.gz MBCNJCBETRROGC-SMDDNHRTSA-N 1 0 292.335 2.226 20 5 CEBDRO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000331899491 204277158 /nfs/dbraw/zinc/27/71/58/204277158.db2.gz BLFCSWROUVRKBO-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000359054174 371320831 /nfs/dbraw/zinc/32/08/31/371320831.db2.gz IQOOJGKAPUAMFR-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000359060339 371322271 /nfs/dbraw/zinc/32/22/71/371322271.db2.gz PPVFLHQRBWGDKS-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359070409 371325610 /nfs/dbraw/zinc/32/56/10/371325610.db2.gz YTEHXLNRYHDTMM-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331981729 204358068 /nfs/dbraw/zinc/35/80/68/204358068.db2.gz BGMSKRBRMWNEDM-SNVBAGLBSA-N 1 0 278.308 2.303 20 5 CEBDRO C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252463896 371440297 /nfs/dbraw/zinc/44/02/97/371440297.db2.gz MIJYSSLPZAUYPC-ONGXEEELSA-N 1 0 269.370 2.216 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674034 371467250 /nfs/dbraw/zinc/46/72/50/371467250.db2.gz NZBPTKGHGVTEDE-KBPBESRZSA-N 1 0 275.352 2.311 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH2+]C(C)C)CC1 ZINC000360949180 371556501 /nfs/dbraw/zinc/55/65/01/371556501.db2.gz HHINCVCHFCBTRX-UHFFFAOYSA-N 1 0 295.387 2.086 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC)C1 ZINC000360956152 371560964 /nfs/dbraw/zinc/56/09/64/371560964.db2.gz YWCZPJHWJZRGRW-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](CC)C(C)C ZINC000360965055 371567263 /nfs/dbraw/zinc/56/72/63/371567263.db2.gz BHAYUISMWMLFBC-UHFFFAOYSA-N 1 0 283.376 2.262 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336829688 213728641 /nfs/dbraw/zinc/72/86/41/213728641.db2.gz DLPCFPHQMBKXSE-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336831663 213731820 /nfs/dbraw/zinc/73/18/20/213731820.db2.gz JXRXMVIKAHQMSN-JTQLQIEISA-N 1 0 280.328 2.234 20 5 CEBDRO CC(C)(CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255737912 371596810 /nfs/dbraw/zinc/59/68/10/371596810.db2.gz UOWFMAOSZIKCHM-ALCCZGGFSA-N 1 0 264.325 2.359 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000261772881 371726209 /nfs/dbraw/zinc/72/62/09/371726209.db2.gz NETZWCVHANDRSL-MRVPVSSYSA-N 1 0 276.296 2.104 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261621379 371682381 /nfs/dbraw/zinc/68/23/81/371682381.db2.gz AAEYHVAFSZPHQP-IINYFYTJSA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000361259050 371743464 /nfs/dbraw/zinc/74/34/64/371743464.db2.gz AKDIJQVAOATFQD-JGVFFNPUSA-N 1 0 294.336 2.371 20 5 CEBDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337325408 214009118 /nfs/dbraw/zinc/00/91/18/214009118.db2.gz BVPUPCDUNUPIKZ-LLVKDONJSA-N 1 0 252.314 2.498 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CC2CC2)CC2CCC2)c1 ZINC000361554503 371917818 /nfs/dbraw/zinc/91/78/18/371917818.db2.gz TXQRMNOGDHOJSA-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000267225931 372063464 /nfs/dbraw/zinc/06/34/64/372063464.db2.gz OWZPPAGRYJHZND-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344332540 217155930 /nfs/dbraw/zinc/15/59/30/217155930.db2.gz OGRVMLBQOLKSLP-DGCLKSJQSA-N 1 0 293.367 2.176 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000269361280 372430050 /nfs/dbraw/zinc/43/00/50/372430050.db2.gz PBAHEXXWBMTRFJ-ZDUSSCGKSA-N 1 0 264.325 2.108 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362914804 372569383 /nfs/dbraw/zinc/56/93/83/372569383.db2.gz WFHUFNSKCFZUAF-UHFFFAOYSA-N 1 0 264.329 2.104 20 5 CEBDRO CC[C@H](C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327360 372728726 /nfs/dbraw/zinc/72/87/26/372728726.db2.gz YKHOWIKXENDBQJ-RYUDHWBXSA-N 1 0 266.345 2.474 20 5 CEBDRO CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270418496 372781100 /nfs/dbraw/zinc/78/11/00/372781100.db2.gz ZJFCSSBOGCMXQK-OLZOCXBDSA-N 1 0 299.371 2.216 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC000365337982 372830192 /nfs/dbraw/zinc/83/01/92/372830192.db2.gz RNSPJXJUVQBBHE-JSGCOSHPSA-N 1 0 292.339 2.121 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCC1 ZINC000353466560 220099949 /nfs/dbraw/zinc/09/99/49/220099949.db2.gz HWNUQTBEAYZQGZ-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO C[N@@H+](Cc1cccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271047430 373090319 /nfs/dbraw/zinc/09/03/19/373090319.db2.gz WBKIFRSNDVZRBD-HNNXBMFYSA-N 1 0 287.319 2.155 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000366615412 373090828 /nfs/dbraw/zinc/09/08/28/373090828.db2.gz BNIJPZDRDAXBME-HNNXBMFYSA-N 1 0 292.335 2.216 20 5 CEBDRO COc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272257541 373390431 /nfs/dbraw/zinc/39/04/31/373390431.db2.gz ZNPGBOXINSXBHK-BXUZGUMPSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](CCCCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000272490666 373514095 /nfs/dbraw/zinc/51/40/95/373514095.db2.gz UJTBFVOKFRSGBH-LLVKDONJSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581014 373562004 /nfs/dbraw/zinc/56/20/04/373562004.db2.gz GRVPZHSVXCRJMT-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO COc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000276619294 374239302 /nfs/dbraw/zinc/23/93/02/374239302.db2.gz KVVWFVBXITWNIK-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000373246066 374305918 /nfs/dbraw/zinc/30/59/18/374305918.db2.gz VDDUAANSHQASKV-UHFFFAOYSA-N 1 0 292.261 2.381 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000374051577 374473221 /nfs/dbraw/zinc/47/32/21/374473221.db2.gz RWSDIPYYOXZMMP-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C2CC2)C1 ZINC000377217525 374816223 /nfs/dbraw/zinc/81/62/23/374816223.db2.gz ZORXPLDLZFVAGV-HNNXBMFYSA-N 1 0 292.335 2.214 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000381825846 375179451 /nfs/dbraw/zinc/17/94/51/375179451.db2.gz WVSZUWSAUNEIED-RITPCOANSA-N 1 0 278.234 2.156 20 5 CEBDRO COCC(COC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000388404568 375291070 /nfs/dbraw/zinc/29/10/70/375291070.db2.gz RAOUHXRBSWUKRE-LLVKDONJSA-N 1 0 282.340 2.215 20 5 CEBDRO Cc1c(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399762260 375367581 /nfs/dbraw/zinc/36/75/81/375367581.db2.gz YXJFVBCDJAICEY-MFKMUULPSA-N 1 0 279.340 2.461 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000408443965 375482879 /nfs/dbraw/zinc/48/28/79/375482879.db2.gz PZMYVSFXVZATCV-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000408464800 375488424 /nfs/dbraw/zinc/48/84/24/375488424.db2.gz FTUBZRASCVIVHY-VHSXEESVSA-N 1 0 282.319 2.048 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520505 375506843 /nfs/dbraw/zinc/50/68/43/375506843.db2.gz PKCJDHCCQCYNAH-NXEZZACHSA-N 1 0 282.315 2.468 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520511 375507100 /nfs/dbraw/zinc/50/71/00/375507100.db2.gz PKCJDHCCQCYNAH-UWVGGRQHSA-N 1 0 282.315 2.468 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CSC2(C)C)c([N+](=O)[O-])cc1O ZINC000282587979 375525370 /nfs/dbraw/zinc/52/53/70/375525370.db2.gz BYQJCRYOMJWCNV-GFCCVEGCSA-N 1 0 298.364 2.293 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283189344 375670180 /nfs/dbraw/zinc/67/01/80/375670180.db2.gz QONLYUPAFSHCCS-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC[NH+](CC)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690423 375746976 /nfs/dbraw/zinc/74/69/76/375746976.db2.gz ACYINRBZPLLICU-LLVKDONJSA-N 1 0 280.372 2.169 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414174127 375800281 /nfs/dbraw/zinc/80/02/81/375800281.db2.gz ACSVQZHPQDTGHL-KFWWJZLASA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158078 375819308 /nfs/dbraw/zinc/81/93/08/375819308.db2.gz PQZVDAXCMWVWSV-KOLCDFICSA-N 1 0 265.313 2.007 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000414567173 375860591 /nfs/dbraw/zinc/86/05/91/375860591.db2.gz GJXLSBTXHBISSA-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000414652666 375902789 /nfs/dbraw/zinc/90/27/89/375902789.db2.gz DRNBUULHTKXXOB-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000414664018 375907406 /nfs/dbraw/zinc/90/74/06/375907406.db2.gz SRJDMZMMNPNWKB-GHMZBOCLSA-N 1 0 292.339 2.234 20 5 CEBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765283 375954525 /nfs/dbraw/zinc/95/45/25/375954525.db2.gz BMIYKBBUKSFYJD-GQCTYLIASA-N 1 0 261.325 2.030 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414784090 375967979 /nfs/dbraw/zinc/96/79/79/375967979.db2.gz QTHDQRAOBVCOBB-LLMLYATDSA-N 1 0 287.363 2.292 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414794772 375977166 /nfs/dbraw/zinc/97/71/66/375977166.db2.gz MDRSLQYLCRKQKN-LBPRGKRZSA-N 1 0 271.748 2.321 20 5 CEBDRO Cc1c(NC(=O)N(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000414709297 375933986 /nfs/dbraw/zinc/93/39/86/375933986.db2.gz QUHNSLCCQZENDJ-UHFFFAOYSA-N 1 0 294.355 2.352 20 5 CEBDRO Cc1c(NC(=O)N2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000414713773 375936645 /nfs/dbraw/zinc/93/66/45/375936645.db2.gz VGZUHEVBNDXYBW-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000286566377 375996396 /nfs/dbraw/zinc/99/63/96/375996396.db2.gz VRLAWDRPHSUYNL-UHFFFAOYSA-N 1 0 274.267 2.076 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000287226232 376179757 /nfs/dbraw/zinc/17/97/57/376179757.db2.gz FSGGNEJBSIOVGK-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)OCCO)cccc1[N+](=O)[O-] ZINC000287342797 376211998 /nfs/dbraw/zinc/21/19/98/376211998.db2.gz NDBOJZBLYXDVRU-GFCCVEGCSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417842947 376217214 /nfs/dbraw/zinc/21/72/14/376217214.db2.gz GQADLRLILHNWPM-GHMZBOCLSA-N 1 0 294.355 2.001 20 5 CEBDRO CC[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000419271295 376421390 /nfs/dbraw/zinc/42/13/90/376421390.db2.gz SFCITVROLYSSIW-AWEZNQCLSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000419186057 376391982 /nfs/dbraw/zinc/39/19/82/376391982.db2.gz DXDAYLBEDNNSMX-LBPRGKRZSA-N 1 0 252.314 2.452 20 5 CEBDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289915679 376557588 /nfs/dbraw/zinc/55/75/88/376557588.db2.gz UOYZJTDCHDEUPE-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000556959035 376527647 /nfs/dbraw/zinc/52/76/47/376527647.db2.gz NMIQFQJVMNWSPL-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264365519 190105503 /nfs/dbraw/zinc/10/55/03/190105503.db2.gz CIJAJMYYUZCJIB-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264568034 190119509 /nfs/dbraw/zinc/11/95/09/190119509.db2.gz GUJGROZRZLGJRB-SNVBAGLBSA-N 1 0 299.758 2.381 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000311897889 376693832 /nfs/dbraw/zinc/69/38/32/376693832.db2.gz PXBADXMONJHVQD-GFCCVEGCSA-N 1 0 268.288 2.345 20 5 CEBDRO Cc1c(CN(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000420996534 376768362 /nfs/dbraw/zinc/76/83/62/376768362.db2.gz FRUIKMNWMZZIAB-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000291230588 377133210 /nfs/dbraw/zinc/13/32/10/377133210.db2.gz MHCNEKIBDGWJBT-UHFFFAOYSA-N 1 0 281.356 2.125 20 5 CEBDRO CC[NH+]1CCC(N(C)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330542058 377178759 /nfs/dbraw/zinc/17/87/59/377178759.db2.gz NEWGKNXHBWKFFY-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO CCOc1ccc([C@@H](C)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423286625 377214934 /nfs/dbraw/zinc/21/49/34/377214934.db2.gz HUAFNTZTMXAXBM-SNVBAGLBSA-N 1 0 281.356 2.381 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000331021976 377243053 /nfs/dbraw/zinc/24/30/53/377243053.db2.gz SLZRYGOAOZFKIP-CABCVRRESA-N 1 0 294.351 2.244 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C[NH3+] ZINC000423333240 377263674 /nfs/dbraw/zinc/26/36/74/377263674.db2.gz RGXXRPOJHYYRQI-GHMZBOCLSA-N 1 0 283.397 2.402 20 5 CEBDRO CC[C@@H](F)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276098 377356447 /nfs/dbraw/zinc/35/64/47/377356447.db2.gz CHEFTHGESRQLBE-MNOVXSKESA-N 1 0 282.319 2.224 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264904987 190143291 /nfs/dbraw/zinc/14/32/91/190143291.db2.gz MDQSGSXTXBXBFE-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1F ZINC000293129739 377439439 /nfs/dbraw/zinc/43/94/39/377439439.db2.gz MTBMMVCCOVQMAH-LLVKDONJSA-N 1 0 268.288 2.081 20 5 CEBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000293325860 377522593 /nfs/dbraw/zinc/52/25/93/377522593.db2.gz GEGPSRHKBLQDGP-BETUJISGSA-N 1 0 277.368 2.162 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293341533 377526497 /nfs/dbraw/zinc/52/64/97/377526497.db2.gz YUEXTTNUPPKIJC-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1ccnc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265230184 190167673 /nfs/dbraw/zinc/16/76/73/190167673.db2.gz QPEBADHBPUFQKC-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1C ZINC000293503323 377597993 /nfs/dbraw/zinc/59/79/93/377597993.db2.gz UQNOBVADRPXSGP-PHIMTYICSA-N 1 0 281.331 2.258 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000265743280 190203170 /nfs/dbraw/zinc/20/31/70/190203170.db2.gz CUEDJYWPBLKOML-NSHDSACASA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583718 377640780 /nfs/dbraw/zinc/64/07/80/377640780.db2.gz FAFJOJPRGDMFLU-QWRGUYRKSA-N 1 0 280.372 2.168 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265824198 190210332 /nfs/dbraw/zinc/21/03/32/190210332.db2.gz SNCFUYSYKUSVIP-LLVKDONJSA-N 1 0 280.324 2.072 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293684126 377698072 /nfs/dbraw/zinc/69/80/72/377698072.db2.gz NIFRIHLRGXYWPY-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000566056986 377714406 /nfs/dbraw/zinc/71/44/06/377714406.db2.gz ZKNGCUKEYCMXLE-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293864844 377793771 /nfs/dbraw/zinc/79/37/71/377793771.db2.gz DNZHZKYWWMRHAM-UHFFFAOYSA-N 1 0 293.367 2.286 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294366543 377984240 /nfs/dbraw/zinc/98/42/40/377984240.db2.gz QQBAGCNSKJZDHD-QLFBSQMISA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000449333895 378202744 /nfs/dbraw/zinc/20/27/44/378202744.db2.gz ICJBWOQNWKSWSB-BXUZGUMPSA-N 1 0 278.352 2.134 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449735543 378225642 /nfs/dbraw/zinc/22/56/42/378225642.db2.gz HWVDSJMLBVZLIL-NBVGUUKWSA-N 1 0 276.336 2.359 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000296240812 378463753 /nfs/dbraw/zinc/46/37/53/378463753.db2.gz FGLHGNMTMGLSRL-LLVKDONJSA-N 1 0 264.329 2.073 20 5 CEBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450956176 378659263 /nfs/dbraw/zinc/65/92/63/378659263.db2.gz QVXMFMNUCXVDTN-LBPRGKRZSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346630710 217967983 /nfs/dbraw/zinc/96/79/83/217967983.db2.gz CHGQTNILQIXGTO-JHSWMASBSA-N 1 0 275.352 2.290 20 5 CEBDRO Cc1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000266205812 190240505 /nfs/dbraw/zinc/24/05/05/190240505.db2.gz KXNJIEFQDFNSHW-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993798 218082918 /nfs/dbraw/zinc/08/29/18/218082918.db2.gz AVCRZMQZIHLGLR-FAQJLRJSSA-N 1 0 275.352 2.277 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH2+]C)C1 ZINC000347111840 218126877 /nfs/dbraw/zinc/12/68/77/218126877.db2.gz QAFOYUPHDHAEHQ-GFCCVEGCSA-N 1 0 293.367 2.035 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000299558936 379044102 /nfs/dbraw/zinc/04/41/02/379044102.db2.gz DZCODIIRGBSORG-GFCCVEGCSA-N 1 0 278.356 2.380 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCSCC3)nc2c1 ZINC000278667239 194091984 /nfs/dbraw/zinc/09/19/84/194091984.db2.gz LGRXCKPQOKOOMH-UHFFFAOYSA-N 1 0 292.364 2.456 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510122049 379114662 /nfs/dbraw/zinc/11/46/62/379114662.db2.gz RRMCNWXOSQLOFA-BETUJISGSA-N 1 0 280.324 2.213 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301169753 379210891 /nfs/dbraw/zinc/21/08/91/379210891.db2.gz DGLRVHJDUSEIRP-LLVKDONJSA-N 1 0 276.340 2.419 20 5 CEBDRO COc1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266419759 190256378 /nfs/dbraw/zinc/25/63/78/190256378.db2.gz RWSVCUHEBZAVNU-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)C1 ZINC000266530183 190264360 /nfs/dbraw/zinc/26/43/60/190264360.db2.gz LTYWIZHASTUFCP-WDEREUQCSA-N 1 0 250.298 2.113 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516877724 379320765 /nfs/dbraw/zinc/32/07/65/379320765.db2.gz KTVGGEJTLKERAP-FZMZJTMJSA-N 1 0 278.352 2.436 20 5 CEBDRO C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428321 379467510 /nfs/dbraw/zinc/46/75/10/379467510.db2.gz QPSNBPVBEWHYGX-FBWDIHGXSA-N 1 0 296.392 2.281 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643483 379537198 /nfs/dbraw/zinc/53/71/98/379537198.db2.gz FYDQUSOHHHPVAR-ZWNOBZJWSA-N 1 0 296.392 2.286 20 5 CEBDRO Cc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000267118135 190305074 /nfs/dbraw/zinc/30/50/74/190305074.db2.gz ZJFZJLWMALUTGY-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CC[NH+](CC)CCOCCNc1ccc([N+](=O)[O-])cc1 ZINC000347850957 218377561 /nfs/dbraw/zinc/37/75/61/218377561.db2.gz GJVQFEVJJPHKTO-UHFFFAOYSA-N 1 0 281.356 2.365 20 5 CEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738897 380126682 /nfs/dbraw/zinc/12/66/82/380126682.db2.gz ZVUJQBNTFLVRJM-OBJOEFQTSA-N 1 0 290.367 2.156 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268197354 190385300 /nfs/dbraw/zinc/38/53/00/190385300.db2.gz WWCLTXMRASIINV-VXGBXAGGSA-N 1 0 278.356 2.075 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489468707 380193969 /nfs/dbraw/zinc/19/39/69/380193969.db2.gz YLKLAXCNDCUKSY-JSGCOSHPSA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000279357906 194398964 /nfs/dbraw/zinc/39/89/64/194398964.db2.gz WAQDFOPVPPHFNA-CHWSQXEVSA-N 1 0 294.351 2.114 20 5 CEBDRO CCC(CC)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575741928 299567511 /nfs/dbraw/zinc/56/75/11/299567511.db2.gz XSOKLQPHJNCOMS-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000367070854 285112848 /nfs/dbraw/zinc/11/28/48/285112848.db2.gz HKOMRZDSJZACCI-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000302820774 285118951 /nfs/dbraw/zinc/11/89/51/285118951.db2.gz PWYXFBHJWLGMQZ-GFCCVEGCSA-N 1 0 277.299 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)nc1 ZINC000048563929 285121163 /nfs/dbraw/zinc/12/11/63/285121163.db2.gz FTAZHRPCKXOQDR-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000266271800 285130199 /nfs/dbraw/zinc/13/01/99/285130199.db2.gz RGKHJQUFZGPYPB-LBPRGKRZSA-N 1 0 277.299 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCOC1)CCO2 ZINC000352703230 285142642 /nfs/dbraw/zinc/14/26/42/285142642.db2.gz AJABPSXVCVLNHA-GFCCVEGCSA-N 1 0 292.335 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281183021 195139036 /nfs/dbraw/zinc/13/90/36/195139036.db2.gz YWTBWFLVVGYISW-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133857860 533170630 /nfs/dbraw/zinc/17/06/30/533170630.db2.gz SCYJORMLNFLHEV-MNOVXSKESA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000189078416 291934074 /nfs/dbraw/zinc/93/40/74/291934074.db2.gz YVICYMQNKMRARK-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000093989887 184748425 /nfs/dbraw/zinc/74/84/25/184748425.db2.gz FKXBVOUBYCADQD-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192131120 130380182 /nfs/dbraw/zinc/38/01/82/130380182.db2.gz RSUBBNGWOYUKOS-GXFFZTMASA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230160118 130893471 /nfs/dbraw/zinc/89/34/71/130893471.db2.gz RPBZTMLZTIVYKD-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000237859713 131061847 /nfs/dbraw/zinc/06/18/47/131061847.db2.gz UBOKKOQYEPPLOM-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCOC1 ZINC000237952092 131068067 /nfs/dbraw/zinc/06/80/67/131068067.db2.gz HUWQXZNASULERJ-VUUYWXRKSA-N 1 0 262.309 2.377 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266275160 296495964 /nfs/dbraw/zinc/49/59/64/296495964.db2.gz RVEZZGZUXFHQRH-NSHDSACASA-N 1 0 277.299 2.184 20 5 CEBDRO CC[NH+](CC)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000218836561 394457680 /nfs/dbraw/zinc/45/76/80/394457680.db2.gz ZPKVFGAYCRECHA-UHFFFAOYSA-N 1 0 285.319 2.496 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421015224 394464008 /nfs/dbraw/zinc/46/40/08/394464008.db2.gz WYDFMNZDBYEAPJ-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301751654 394464486 /nfs/dbraw/zinc/46/44/86/394464486.db2.gz VABFAKPAGTVBCM-LBPRGKRZSA-N 1 0 298.774 2.420 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413157186 394494482 /nfs/dbraw/zinc/49/44/82/394494482.db2.gz GWOISAKLKJOJHZ-IUCAKERBSA-N 1 0 268.292 2.024 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187515 394499895 /nfs/dbraw/zinc/49/98/95/394499895.db2.gz FGKHNFHJUZXXPE-PELKAZGASA-N 1 0 280.303 2.024 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000308656604 394529908 /nfs/dbraw/zinc/52/99/08/394529908.db2.gz FRDGXHUDZGFMQC-UHFFFAOYSA-N 1 0 295.368 2.352 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000421884824 394626836 /nfs/dbraw/zinc/62/68/36/394626836.db2.gz FRBDUIWODOETMF-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO CC(C)OCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332736237 394639093 /nfs/dbraw/zinc/63/90/93/394639093.db2.gz YKSHQLVCOWKKCY-UHFFFAOYSA-N 1 0 279.340 2.163 20 5 CEBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000269079297 394711650 /nfs/dbraw/zinc/71/16/50/394711650.db2.gz DLGMQKTUCRVOQO-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000115439515 394754259 /nfs/dbraw/zinc/75/42/59/394754259.db2.gz YRHXRAAHARYOOO-JTQLQIEISA-N 1 0 297.380 2.070 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272208081 394769196 /nfs/dbraw/zinc/76/91/96/394769196.db2.gz PTQRIEDSZDAXEA-FZMZJTMJSA-N 1 0 261.325 2.125 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000422842219 394824440 /nfs/dbraw/zinc/82/44/40/394824440.db2.gz FKJJWSLNASXVNE-YPMHNXCESA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123256889 394824971 /nfs/dbraw/zinc/82/49/71/394824971.db2.gz STJANSNMICGKQO-UWVGGRQHSA-N 1 0 277.324 2.067 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414910379 394800125 /nfs/dbraw/zinc/80/01/25/394800125.db2.gz CNYGMAUHVXNFGE-HRLNJXSSSA-N 1 0 275.352 2.196 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000415047691 394863832 /nfs/dbraw/zinc/86/38/32/394863832.db2.gz FLLJMKCRDFXRSW-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO COc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415050599 394864425 /nfs/dbraw/zinc/86/44/25/394864425.db2.gz ITBLRDOXCASYGI-ZDUSSCGKSA-N 1 0 281.356 2.066 20 5 CEBDRO Cc1cnc(N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000362678642 394866025 /nfs/dbraw/zinc/86/60/25/394866025.db2.gz CBHTZWNMNFUQLV-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422847926 394826953 /nfs/dbraw/zinc/82/69/53/394826953.db2.gz AESIGOHSGMKERG-AAEUAGOBSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414992049 394839577 /nfs/dbraw/zinc/83/95/77/394839577.db2.gz QZCANROAFNUWEX-AAEUAGOBSA-N 1 0 265.357 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362364549 394856001 /nfs/dbraw/zinc/85/60/01/394856001.db2.gz IOISQKKAIHBRLU-PWSUYJOCSA-N 1 0 277.324 2.039 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000364308487 394892783 /nfs/dbraw/zinc/89/27/83/394892783.db2.gz OSZBRTMARFCWST-FZMZJTMJSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355006 394899302 /nfs/dbraw/zinc/89/93/02/394899302.db2.gz DQSZMTGGDZHEJM-COPLHBTASA-N 1 0 263.341 2.243 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423366843 394902166 /nfs/dbraw/zinc/90/21/66/394902166.db2.gz QRAYLXLUCPDGMQ-OUCADQQQSA-N 1 0 277.368 2.113 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107802 394903282 /nfs/dbraw/zinc/90/32/82/394903282.db2.gz KXDJSCFDUVNUBQ-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423423720 394919877 /nfs/dbraw/zinc/91/98/77/394919877.db2.gz DXHATCXSFKIZLB-LJISPDSOSA-N 1 0 275.352 2.243 20 5 CEBDRO Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445255 394923384 /nfs/dbraw/zinc/92/33/84/394923384.db2.gz MNAGLRZVUSRCFW-MXWKQRLJSA-N 1 0 251.330 2.290 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000415413231 394928906 /nfs/dbraw/zinc/92/89/06/394928906.db2.gz DIYMYRBNOVMIMC-JQWIXIFHSA-N 1 0 292.339 2.104 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415416301 394929952 /nfs/dbraw/zinc/92/99/52/394929952.db2.gz KDNXREPXPIJGCN-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc(NC(=O)NCCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000415417154 394930200 /nfs/dbraw/zinc/93/02/00/394930200.db2.gz LWRCATGXKLZOJL-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423481608 394930317 /nfs/dbraw/zinc/93/03/17/394930317.db2.gz WZYPPHBKRMZWAG-BHDSKKPTSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415581230 394945980 /nfs/dbraw/zinc/94/59/80/394945980.db2.gz NDHCAGXFCKHGEY-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636766 394950076 /nfs/dbraw/zinc/95/00/76/394950076.db2.gz YMYYSBHWWNCNHZ-UHFFFAOYSA-N 1 0 298.318 2.183 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152548822 394997232 /nfs/dbraw/zinc/99/72/32/394997232.db2.gz VNAYQBQHMPCFIQ-AAEUAGOBSA-N 1 0 264.325 2.330 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000285885282 394978608 /nfs/dbraw/zinc/97/86/08/394978608.db2.gz JRGMQFJWKTTZMC-CABZTGNLSA-N 1 0 282.365 2.445 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000423951762 395033222 /nfs/dbraw/zinc/03/32/22/395033222.db2.gz PFVHLKUFKDOXCJ-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000158445213 395045710 /nfs/dbraw/zinc/04/57/10/395045710.db2.gz AJDUYWNMGKAHSW-UWVGGRQHSA-N 1 0 289.339 2.366 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000347033643 395118010 /nfs/dbraw/zinc/11/80/10/395118010.db2.gz BXCNNFZDKDRYGT-ABAIWWIYSA-N 1 0 277.368 2.462 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000292050856 395183551 /nfs/dbraw/zinc/18/35/51/395183551.db2.gz ZBNDGARQRREGOB-LLVKDONJSA-N 1 0 279.340 2.053 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292189762 395187303 /nfs/dbraw/zinc/18/73/03/395187303.db2.gz GDGKUBSHBJRBOD-AWEZNQCLSA-N 1 0 261.325 2.127 20 5 CEBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292319025 395191355 /nfs/dbraw/zinc/19/13/55/395191355.db2.gz ORFUTKCIUNQZMF-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000433143691 395203280 /nfs/dbraw/zinc/20/32/80/395203280.db2.gz IEFXWIIBIDRWJC-JOYOIKCWSA-N 1 0 298.314 2.257 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420274379 395288840 /nfs/dbraw/zinc/28/88/40/395288840.db2.gz FUMVAJXMVDSAOK-MNOVXSKESA-N 1 0 264.329 2.228 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439292353 395258382 /nfs/dbraw/zinc/25/83/82/395258382.db2.gz GFOKVXRXKYJDQW-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592930 395387873 /nfs/dbraw/zinc/38/78/73/395387873.db2.gz QYNBFJOOHUEPDE-BXUZGUMPSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420328043 395329253 /nfs/dbraw/zinc/32/92/53/395329253.db2.gz HALWOWMPBYTMAJ-BXUZGUMPSA-N 1 0 281.331 2.289 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000420354400 395342746 /nfs/dbraw/zinc/34/27/46/395342746.db2.gz CUNUGZPRDSLDLF-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411938985 395342749 /nfs/dbraw/zinc/34/27/49/395342749.db2.gz NCQPMNKIMBIILY-NEPJUHHUSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000420359999 395346010 /nfs/dbraw/zinc/34/60/10/395346010.db2.gz GOUBAAZPZFQRCW-KBVBSXBZSA-N 1 0 269.370 2.132 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704463 395447849 /nfs/dbraw/zinc/44/78/49/395447849.db2.gz LISDTMVQFZIBIA-YMTOWFKASA-N 1 0 290.323 2.128 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@H](O)CC1 ZINC000565785225 395485000 /nfs/dbraw/zinc/48/50/00/395485000.db2.gz QFQRQKWKZUDHDV-JTNHKYCSSA-N 1 0 276.336 2.475 20 5 CEBDRO CC[N@@H+]1CCCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000572985942 395597095 /nfs/dbraw/zinc/59/70/95/395597095.db2.gz WSVFMFJLUOBUIG-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451241931 395597382 /nfs/dbraw/zinc/59/73/82/395597382.db2.gz LYMIKRWUVRPPLR-GFCCVEGCSA-N 1 0 290.323 2.128 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256077 395599926 /nfs/dbraw/zinc/59/99/26/395599926.db2.gz OIUBJVKTVCVFBP-ZWNOBZJWSA-N 1 0 282.315 2.327 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)O ZINC000449544287 395554130 /nfs/dbraw/zinc/55/41/30/395554130.db2.gz QEMPRTRHRVEFKE-GXFFZTMASA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COCC1(C)C ZINC000449625515 395557847 /nfs/dbraw/zinc/55/78/47/395557847.db2.gz SNMIXCGMSHDHJV-CYBMUJFWSA-N 1 0 264.325 2.418 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N(C)CC1CC[NH+](C)CC1 ZINC000568664373 395566041 /nfs/dbraw/zinc/56/60/41/395566041.db2.gz RAOZHFCGLOUMHK-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710200 395567082 /nfs/dbraw/zinc/56/70/82/395567082.db2.gz ZVJRWQIQUUZEAG-CQSZACIVSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441806 395618456 /nfs/dbraw/zinc/61/84/56/395618456.db2.gz ZJOTZOSQBHTNFE-ZANVPECISA-N 1 0 286.278 2.358 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160618051 297439243 /nfs/dbraw/zinc/43/92/43/297439243.db2.gz WSGXMRZODOJMPO-SNVBAGLBSA-N 1 0 252.314 2.325 20 5 CEBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])nc1 ZINC000220221375 153308689 /nfs/dbraw/zinc/30/86/89/153308689.db2.gz VDWSOEXBBLDGHM-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCOC2)cs1 ZINC000230165836 153386203 /nfs/dbraw/zinc/38/62/03/153386203.db2.gz AFLCONWIQMIUTA-SECBINFHSA-N 1 0 256.327 2.173 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1CC ZINC000360896537 155397516 /nfs/dbraw/zinc/39/75/16/155397516.db2.gz HMWDZEYHPLSGEG-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1CC ZINC000360896538 155397733 /nfs/dbraw/zinc/39/77/33/155397733.db2.gz HMWDZEYHPLSGEG-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261738845 153826703 /nfs/dbraw/zinc/82/67/03/153826703.db2.gz LVRUAAWYKZJXFR-MFKMUULPSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000261783120 153838957 /nfs/dbraw/zinc/83/89/57/153838957.db2.gz PSNQUWVYMSYKEU-MFKMUULPSA-N 1 0 281.331 2.293 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1C ZINC000261871786 153862770 /nfs/dbraw/zinc/86/27/70/153862770.db2.gz OYJQDNUYHWRHOG-GFCCVEGCSA-N 1 0 293.367 2.176 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261947276 153883204 /nfs/dbraw/zinc/88/32/04/153883204.db2.gz FMKWYCQJISSDGE-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262029466 153899609 /nfs/dbraw/zinc/89/96/09/153899609.db2.gz XBWUHNQZRWRART-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO COc1cccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000185484034 286457383 /nfs/dbraw/zinc/45/73/83/286457383.db2.gz XHQJUFNAVOMDGF-GFCCVEGCSA-N 1 0 289.335 2.054 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363677219 156040130 /nfs/dbraw/zinc/04/01/30/156040130.db2.gz RAYLCZJPWCKXNL-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCCCC3)C2)s1 ZINC000367100792 156133333 /nfs/dbraw/zinc/13/33/33/156133333.db2.gz QUIJIDOAMVPWJN-UHFFFAOYSA-N 1 0 282.369 2.480 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000367453516 156187446 /nfs/dbraw/zinc/18/74/46/156187446.db2.gz ZOCOFMLKLYWSHI-CQSZACIVSA-N 1 0 262.309 2.350 20 5 CEBDRO C[C@H]1CC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834118 156244356 /nfs/dbraw/zinc/24/43/56/156244356.db2.gz VWUKHQXLVBUNNS-JSGCOSHPSA-N 1 0 278.356 2.303 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368469236 156351092 /nfs/dbraw/zinc/35/10/92/156351092.db2.gz HJYADFJVUXVAMS-XHDPSFHLSA-N 1 0 292.335 2.214 20 5 CEBDRO CCOc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000261598252 286573596 /nfs/dbraw/zinc/57/35/96/286573596.db2.gz AWBVJFJRMHAZOB-RYUDHWBXSA-N 1 0 291.351 2.039 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373721696 156892495 /nfs/dbraw/zinc/89/24/95/156892495.db2.gz VTPVZMBOHWYTDL-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[C@@H](F)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375639684 157119930 /nfs/dbraw/zinc/11/99/30/157119930.db2.gz FWNAMCYGAWGBGU-SNVBAGLBSA-N 1 0 270.308 2.176 20 5 CEBDRO COCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292204896 292362779 /nfs/dbraw/zinc/36/27/79/292362779.db2.gz SPTZBBKYTAXLPQ-UHFFFAOYSA-N 1 0 252.314 2.456 20 5 CEBDRO CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000286568171 286708673 /nfs/dbraw/zinc/70/86/73/286708673.db2.gz RFJACRBJBRTHEF-VXGBXAGGSA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424783 298409952 /nfs/dbraw/zinc/40/99/52/298409952.db2.gz TXKSWMLEJKVCPG-GHMZBOCLSA-N 1 0 250.298 2.456 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174157661 165097775 /nfs/dbraw/zinc/09/77/75/165097775.db2.gz LVPXIZURDFKFHC-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204486 165159337 /nfs/dbraw/zinc/15/93/37/165159337.db2.gz HMOWAMCYOHZLHI-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO CC[N@@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176210713 165160973 /nfs/dbraw/zinc/16/09/73/165160973.db2.gz AJXIECVAMMAVFW-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO COCCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020192972 171058918 /nfs/dbraw/zinc/05/89/18/171058918.db2.gz BEHCWIGKPJWPQZ-GFCCVEGCSA-N 1 0 282.340 2.299 20 5 CEBDRO CC(C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)[NH3+] ZINC000564835092 298852524 /nfs/dbraw/zinc/85/25/24/298852524.db2.gz TYYOPVSRAYDCGF-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601472 172289809 /nfs/dbraw/zinc/28/98/09/172289809.db2.gz WMLAQAPLLCPWDD-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000285265529 196236725 /nfs/dbraw/zinc/23/67/25/196236725.db2.gz IFQKFQQEVXHBSJ-ZDUSSCGKSA-N 1 0 264.325 2.248 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285564344 196328500 /nfs/dbraw/zinc/32/85/00/196328500.db2.gz HGQOWLYTLXPEMT-VIFPVBQESA-N 1 0 256.277 2.201 20 5 CEBDRO Cc1ccc(C[NH2+]C2CCOCC2)cc1[N+](=O)[O-] ZINC000037269455 173080934 /nfs/dbraw/zinc/08/09/34/173080934.db2.gz BCPCUIXVYDURIX-UHFFFAOYSA-N 1 0 250.298 2.172 20 5 CEBDRO Cc1c(NC(=O)CC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000037395481 173175920 /nfs/dbraw/zinc/17/59/20/173175920.db2.gz LSJSKWJICMJUFN-UHFFFAOYSA-N 1 0 265.313 2.230 20 5 CEBDRO C[N@@H+]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403798 173179939 /nfs/dbraw/zinc/17/99/39/173179939.db2.gz CDRKCCIPKVQMDA-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037404433 173180980 /nfs/dbraw/zinc/18/09/80/173180980.db2.gz LASMIJJQDYNJLU-NSHDSACASA-N 1 0 261.325 2.491 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038045601 174053869 /nfs/dbraw/zinc/05/38/69/174053869.db2.gz JJQXOINYYXCCJC-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000038079458 174089064 /nfs/dbraw/zinc/08/90/64/174089064.db2.gz VYMZJQRLBXEACY-BXUZGUMPSA-N 1 0 280.324 2.131 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601365 174351452 /nfs/dbraw/zinc/35/14/52/174351452.db2.gz RRXVUVHDJWBVOK-ZDUSSCGKSA-N 1 0 277.368 2.335 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cscn2)cc1 ZINC000040676020 174373879 /nfs/dbraw/zinc/37/38/79/174373879.db2.gz AAZOFNUCSZVHNN-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CCn1cncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000417918450 227169191 /nfs/dbraw/zinc/16/91/91/227169191.db2.gz BSOIEGBNQXWQCE-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739422 262384509 /nfs/dbraw/zinc/38/45/09/262384509.db2.gz WCZQJNGEWLJOMD-GARJFASQSA-N 1 0 296.396 2.218 20 5 CEBDRO CCn1cc[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000414295329 262837940 /nfs/dbraw/zinc/83/79/40/262837940.db2.gz FIRQCMOODBGTRH-UHFFFAOYSA-N 1 0 292.295 2.138 20 5 CEBDRO Cc1nn(CC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000189347546 270261206 /nfs/dbraw/zinc/26/12/06/270261206.db2.gz YEJHTYIYEQYYPB-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190032049 270266304 /nfs/dbraw/zinc/26/63/04/270266304.db2.gz DJWKAPCBPDFPQB-VXGBXAGGSA-N 1 0 298.412 2.445 20 5 CEBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190032012 270266355 /nfs/dbraw/zinc/26/63/55/270266355.db2.gz DJWKAPCBPDFPQB-NWDGAFQWSA-N 1 0 298.412 2.445 20 5 CEBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193950534 270290751 /nfs/dbraw/zinc/29/07/51/270290751.db2.gz ZKSMOKSWSBLZDM-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268884629 270330772 /nfs/dbraw/zinc/33/07/72/270330772.db2.gz WXEUTCYIVHIAON-JSGCOSHPSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000322514431 270335063 /nfs/dbraw/zinc/33/50/63/270335063.db2.gz JULANKGDZGBBNP-ZDUSSCGKSA-N 1 0 252.314 2.500 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213159 270345875 /nfs/dbraw/zinc/34/58/75/270345875.db2.gz QOKOHWMXUPKBPV-STQMWFEESA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397398623 270353302 /nfs/dbraw/zinc/35/33/02/270353302.db2.gz HZHBIZQWRUAUDR-WZRBSPASSA-N 1 0 291.351 2.040 20 5 CEBDRO CC[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190618 270423649 /nfs/dbraw/zinc/42/36/49/270423649.db2.gz QWZWCNKJQYBJFT-OAHLLOKOSA-N 1 0 293.367 2.142 20 5 CEBDRO Cc1cnc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420273026 270500704 /nfs/dbraw/zinc/50/07/04/270500704.db2.gz DUMAIAFKOKBCFQ-WDEREUQCSA-N 1 0 264.329 2.228 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420374392 270530425 /nfs/dbraw/zinc/53/04/25/270530425.db2.gz RVTKNVBBYUXIHV-ZIBATOQPSA-N 1 0 293.367 2.080 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424317049 271044316 /nfs/dbraw/zinc/04/43/16/271044316.db2.gz NRVPNKQEPGOYFH-MPKXVKKWSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424412087 271052455 /nfs/dbraw/zinc/05/24/55/271052455.db2.gz CHAFRJDSOZLATA-VXGBXAGGSA-N 1 0 292.339 2.295 20 5 CEBDRO CC[C@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428444336 271266455 /nfs/dbraw/zinc/26/64/55/271266455.db2.gz VMHSIENJAYEJSZ-PKYBCLHXSA-N 1 0 276.336 2.455 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)C(C)C ZINC000430212490 271362678 /nfs/dbraw/zinc/36/26/78/271362678.db2.gz NPPSCHOWOVCGLP-CYBMUJFWSA-N 1 0 282.340 2.100 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000430227952 271364699 /nfs/dbraw/zinc/36/46/99/271364699.db2.gz QTKJCBPNSVAHPK-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000430571590 271392586 /nfs/dbraw/zinc/39/25/86/271392586.db2.gz OFUAGHGCCNMTQI-HZMBPMFUSA-N 1 0 281.331 2.293 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430594305 271396408 /nfs/dbraw/zinc/39/64/08/271396408.db2.gz QNAXGMTWDPWKQM-ZDUSSCGKSA-N 1 0 293.367 2.176 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430594303 271397026 /nfs/dbraw/zinc/39/70/26/271397026.db2.gz QNAXGMTWDPWKQM-CYBMUJFWSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994341 274539974 /nfs/dbraw/zinc/53/99/74/274539974.db2.gz FDSNOGBNALZFHP-ZANVPECISA-N 1 0 264.325 2.288 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c1 ZINC000261688694 274680777 /nfs/dbraw/zinc/68/07/77/274680777.db2.gz NCPJNUPIGXVMNO-JTNHKYCSSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1nc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000276964192 274840981 /nfs/dbraw/zinc/84/09/81/274840981.db2.gz CYYUSMJKVYCXHD-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262615893 274962329 /nfs/dbraw/zinc/96/23/29/274962329.db2.gz CWEIDXGMXFUFLH-QWRGUYRKSA-N 1 0 289.335 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000296947303 275038879 /nfs/dbraw/zinc/03/88/79/275038879.db2.gz BYELLQXBBUMYRH-AWEZNQCLSA-N 1 0 298.346 2.427 20 5 CEBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000175394047 275842465 /nfs/dbraw/zinc/84/24/65/275842465.db2.gz PSVYCAFCIXIFIX-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123602276 277033109 /nfs/dbraw/zinc/03/31/09/277033109.db2.gz CEEWKMMVMLWJFO-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000364164297 277146772 /nfs/dbraw/zinc/14/67/72/277146772.db2.gz AXCQROIRWRYWDI-YGRLFVJLSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375050742 277147321 /nfs/dbraw/zinc/14/73/21/277147321.db2.gz SKHCZFRBIVHJFD-SKDRFNHKSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292459307 277186289 /nfs/dbraw/zinc/18/62/89/277186289.db2.gz ZWDQAWAXVSQMTM-AWEZNQCLSA-N 1 0 297.305 2.405 20 5 CEBDRO CC[C@H](NC(=O)CCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000236993443 287945035 /nfs/dbraw/zinc/94/50/35/287945035.db2.gz RCOGQEIHZLZTFX-ZDUSSCGKSA-N 1 0 279.340 2.162 20 5 CEBDRO COC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237120092 277311752 /nfs/dbraw/zinc/31/17/52/277311752.db2.gz NPSJCJIDAOZXGG-UHFFFAOYSA-N 1 0 292.335 2.416 20 5 CEBDRO COc1cccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366114322 278016781 /nfs/dbraw/zinc/01/67/81/278016781.db2.gz XAVOVCWMWXWDCJ-OAHLLOKOSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177070 278347159 /nfs/dbraw/zinc/34/71/59/278347159.db2.gz RLLDEGCUDLLUGW-GFCCVEGCSA-N 1 0 263.341 2.341 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185079924 280362944 /nfs/dbraw/zinc/36/29/44/280362944.db2.gz HUMHGXVLJAJHQR-AWEZNQCLSA-N 1 0 290.319 2.444 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCOC2)n1 ZINC000343920066 280377363 /nfs/dbraw/zinc/37/73/63/280377363.db2.gz CSJLLQNGZRYWJD-JHJVBQTASA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445256 281043905 /nfs/dbraw/zinc/04/39/05/281043905.db2.gz MNAGLRZVUSRCFW-VWYCJHECSA-N 1 0 251.330 2.290 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([NH+](C)C)CC1 ZINC000301158535 281259067 /nfs/dbraw/zinc/25/90/67/281259067.db2.gz AWIOTNORGWREFD-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380388 290131750 /nfs/dbraw/zinc/13/17/50/290131750.db2.gz BJCBDRBWRWMIRJ-OCCSQVGLSA-N 1 0 291.351 2.162 20 5 CEBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000459810750 290247104 /nfs/dbraw/zinc/24/71/04/290247104.db2.gz UHTIKUIQOJXICX-LBPRGKRZSA-N 1 0 266.345 2.350 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269761 297644298 /nfs/dbraw/zinc/64/42/98/297644298.db2.gz DXVGFDIITWFZHA-FPMFFAJLSA-N 1 0 276.336 2.331 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CO1 ZINC000563122958 298739805 /nfs/dbraw/zinc/73/98/05/298739805.db2.gz BAPONVDEJJFACN-MROQNXINSA-N 1 0 294.355 2.042 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567385928 299060030 /nfs/dbraw/zinc/06/00/30/299060030.db2.gz WXFTTZRYPMWFAR-UWVGGRQHSA-N 1 0 294.355 2.405 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2C(C)C)n1 ZINC000359092524 301204101 /nfs/dbraw/zinc/20/41/01/301204101.db2.gz FWWMKUXICHUOKP-CYBMUJFWSA-N 1 0 292.383 2.383 20 5 CEBDRO Cc1cccc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000517722239 313112884 /nfs/dbraw/zinc/11/28/84/313112884.db2.gz WWXPDMWKDJSGPL-UHFFFAOYSA-N 1 0 275.352 2.483 20 5 CEBDRO CCC(CC)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000530905389 313311456 /nfs/dbraw/zinc/31/14/56/313311456.db2.gz PRKNRZXSNYANBQ-UHFFFAOYSA-N 1 0 266.345 2.444 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217950 313809138 /nfs/dbraw/zinc/80/91/38/313809138.db2.gz NKVGNKCQFKKSND-GXFFZTMASA-N 1 0 264.325 2.190 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000576111788 314243392 /nfs/dbraw/zinc/24/33/92/314243392.db2.gz LBPMTMCKCIESJR-FZMZJTMJSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CCO)CC1 ZINC000576291722 314261786 /nfs/dbraw/zinc/26/17/86/314261786.db2.gz QCYHMLNBEMGDKN-ZDUSSCGKSA-N 1 0 276.336 2.334 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccc1O ZINC000576671585 314299494 /nfs/dbraw/zinc/29/94/94/314299494.db2.gz KAWKSYJCNHFHTI-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000577486552 314382031 /nfs/dbraw/zinc/38/20/31/314382031.db2.gz HJYWHGZTQJGJDQ-GHMZBOCLSA-N 1 0 290.367 2.126 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000380506476 321830638 /nfs/dbraw/zinc/83/06/38/321830638.db2.gz YNJFFZZCTVJMSK-GHMZBOCLSA-N 1 0 279.315 2.088 20 5 CEBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000386545351 321872014 /nfs/dbraw/zinc/87/20/14/321872014.db2.gz FNGXAYUNEVDAGW-YPMHNXCESA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583261715 322534808 /nfs/dbraw/zinc/53/48/08/322534808.db2.gz CXSAPHGXLJEUOT-DCAQKATOSA-N 1 0 294.355 2.081 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000560689687 327336748 /nfs/dbraw/zinc/33/67/48/327336748.db2.gz ZVFCYCIDTXGODE-PHIMTYICSA-N 1 0 266.345 2.078 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401691958 533847149 /nfs/dbraw/zinc/84/71/49/533847149.db2.gz GVNAZNOUZQVQHG-GXFFZTMASA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294910 534087519 /nfs/dbraw/zinc/08/75/19/534087519.db2.gz DETRGZVNCYKBAZ-IINYFYTJSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000414660920 534341076 /nfs/dbraw/zinc/34/10/76/534341076.db2.gz OWNBHZFIPLEEGW-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO CC(=O)c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067949583 518382796 /nfs/dbraw/zinc/38/27/96/518382796.db2.gz HIZZHDPMZDYNMJ-UHFFFAOYSA-N 1 0 265.313 2.161 20 5 CEBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227374298 534649344 /nfs/dbraw/zinc/64/93/44/534649344.db2.gz KFFLIDJPWOKNSI-LBPRGKRZSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233364 522851041 /nfs/dbraw/zinc/85/10/41/522851041.db2.gz DVEBACMLBVEXEF-CHWSQXEVSA-N 1 0 284.381 2.359 20 5 CEBDRO C[NH+]1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443381 523777242 /nfs/dbraw/zinc/77/72/42/523777242.db2.gz NTCFVJWPWGZAFG-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc(C[NH2+]CCSC)cc1[N+](=O)[O-] ZINC000069051807 524070948 /nfs/dbraw/zinc/07/09/48/524070948.db2.gz YRELYFPBAVLVEF-UHFFFAOYSA-N 1 0 256.327 2.056 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650005 525441926 /nfs/dbraw/zinc/44/19/26/525441926.db2.gz JSBDAIVAYOVGRJ-NXEZZACHSA-N 1 0 290.323 2.128 20 5 CEBDRO CSCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000151131093 525496693 /nfs/dbraw/zinc/49/66/93/525496693.db2.gz FXBAIUYUXQXEPO-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000183343702 525566672 /nfs/dbraw/zinc/56/66/72/525566672.db2.gz GJHNNQZGRCYGES-CYBMUJFWSA-N 1 0 277.368 2.287 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350725 527711216 /nfs/dbraw/zinc/71/12/16/527711216.db2.gz USUPCKPAWKXBCN-NEPJUHHUSA-N 1 0 293.367 2.029 20 5 CEBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412071757 528953464 /nfs/dbraw/zinc/95/34/64/528953464.db2.gz HUNBCJQEDODLGT-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000262655449 535853486 /nfs/dbraw/zinc/85/34/86/535853486.db2.gz WUTSMRSXBTWMEY-OBJOEFQTSA-N 1 0 291.351 2.290 20 5 CEBDRO CCN(CC)C(=O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000726606193 574427989 /nfs/dbraw/zinc/42/79/89/574427989.db2.gz CMDILJFXVWVOFM-VQHVLOKHSA-N 1 0 291.351 2.066 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000730089030 574500981 /nfs/dbraw/zinc/50/09/81/574500981.db2.gz MFSIEPRSWPBVBY-CYBMUJFWSA-N 1 0 280.324 2.224 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954331 575241674 /nfs/dbraw/zinc/24/16/74/575241674.db2.gz MYVKNARVLQAIDS-UWVGGRQHSA-N 1 0 289.339 2.336 20 5 CEBDRO Cc1cc(NCC[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167380406 625649481 /nfs/dbraw/zinc/64/94/81/625649481.db2.gz OSUZZKODDKLIHX-FQEVSTJZSA-N 1 0 293.348 2.242 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000891489075 623741399 /nfs/dbraw/zinc/74/13/99/623741399.db2.gz DDYFGWUQCIKBRI-VIFPVBQESA-N 1 0 295.368 2.105 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000934125625 624247462 /nfs/dbraw/zinc/24/74/62/624247462.db2.gz SAEQUIUWEWKMIL-KGLIPLIRSA-N 1 0 280.324 2.083 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000926796135 627386054 /nfs/dbraw/zinc/38/60/54/627386054.db2.gz NKJXVOYJWAWUTA-DGCLKSJQSA-N 1 0 291.351 2.050 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892673061 627387875 /nfs/dbraw/zinc/38/78/75/627387875.db2.gz FJULOPRIPPCKNN-IUCAKERBSA-N 1 0 291.311 2.026 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000893091366 627995960 /nfs/dbraw/zinc/99/59/60/627995960.db2.gz ANXILVNBSWTQPW-LBPRGKRZSA-N 1 0 294.351 2.459 20 5 CEBDRO C[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429034 634649990 /nfs/dbraw/zinc/64/99/90/634649990.db2.gz JJIDYFXBEBDGDZ-SCRDCRAPSA-N 1 0 277.368 2.428 20 5 CEBDRO CCC[C@@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902423486 634646719 /nfs/dbraw/zinc/64/67/19/634646719.db2.gz XQBFBHWJVNSCBI-CYBMUJFWSA-N 1 0 267.329 2.306 20 5 CEBDRO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732934 628687424 /nfs/dbraw/zinc/68/74/24/628687424.db2.gz HGKLVLHFYLOSEL-KGLIPLIRSA-N 1 0 275.352 2.263 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000261630892 628952817 /nfs/dbraw/zinc/95/28/17/628952817.db2.gz CMLCBQJZGNHOBV-SSDOTTSWSA-N 1 0 296.714 2.449 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893941515 629056521 /nfs/dbraw/zinc/05/65/21/629056521.db2.gz SLGFUOWZINGTQU-BXUZGUMPSA-N 1 0 291.351 2.134 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000261973538 629407793 /nfs/dbraw/zinc/40/77/93/629407793.db2.gz QOEUAVARDYTVLP-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928430736 629587912 /nfs/dbraw/zinc/58/79/12/629587912.db2.gz ITYGFTZWIIJFKB-AAEUAGOBSA-N 1 0 291.351 2.034 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000895325076 630111923 /nfs/dbraw/zinc/11/19/23/630111923.db2.gz NCXKZBRCMYFODQ-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000895328619 630114076 /nfs/dbraw/zinc/11/40/76/630114076.db2.gz GVWYFRHHXLVYDG-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000895756691 630333043 /nfs/dbraw/zinc/33/30/43/630333043.db2.gz KXSIMDCMBGLABP-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000895767803 630336801 /nfs/dbraw/zinc/33/68/01/630336801.db2.gz RVNGPFRHRXWAPF-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526180 630693155 /nfs/dbraw/zinc/69/31/55/630693155.db2.gz OVMNUXKVFBBBRP-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO Cc1cc(N[C@@H]2CC23CC(O)C3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000897091242 630924347 /nfs/dbraw/zinc/92/43/47/630924347.db2.gz IEHLGCFUIBYKJZ-YWCUFVOSSA-N 1 0 299.330 2.199 20 5 CEBDRO C[C@@H]1[C@H](O)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825103105 635569107 /nfs/dbraw/zinc/56/91/07/635569107.db2.gz CIQYSNHAIWIOIF-PRHODGIISA-N 1 0 270.716 2.203 20 5 CEBDRO C[N@H+](CCC(=O)C1CC1)CCc1cccc([N+](=O)[O-])c1 ZINC000801602289 631298324 /nfs/dbraw/zinc/29/83/24/631298324.db2.gz ZVZDRFUHUOXVMQ-UHFFFAOYSA-N 1 0 276.336 2.438 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804324063 631663507 /nfs/dbraw/zinc/66/35/07/631663507.db2.gz BVMJAGQDVRSWIT-UHFFFAOYSA-N 1 0 282.300 2.255 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897679836 631863012 /nfs/dbraw/zinc/86/30/12/631863012.db2.gz CUPQLVHPRUGKAN-QLWBUIJQSA-N 1 0 276.336 2.311 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814570 631911802 /nfs/dbraw/zinc/91/18/02/631911802.db2.gz WFMUNOAQGCLRPT-XDJSOMLNSA-N 1 0 286.331 2.348 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(CCO)C1 ZINC000898007353 631999371 /nfs/dbraw/zinc/99/93/71/631999371.db2.gz DFMGKQWJZAYNBK-UHFFFAOYSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC(CCO)C1 ZINC000898015932 632015431 /nfs/dbraw/zinc/01/54/31/632015431.db2.gz UXINCHRYETYUAK-UHFFFAOYSA-N 1 0 278.352 2.462 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H](O)C1CC1 ZINC000898199282 632112168 /nfs/dbraw/zinc/11/21/68/632112168.db2.gz KQNALDXFETYQPN-DZGCQCFKSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000841056124 632359125 /nfs/dbraw/zinc/35/91/25/632359125.db2.gz YCGWGGWATULBSA-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898388607 632477683 /nfs/dbraw/zinc/47/76/83/632477683.db2.gz UWLKDXVQUPWQTI-CHWSQXEVSA-N 1 0 262.309 2.109 20 5 CEBDRO C[C@H](NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000899271349 632768137 /nfs/dbraw/zinc/76/81/37/632768137.db2.gz VXWBPWXIGAXVON-JTQLQIEISA-N 1 0 276.340 2.050 20 5 CEBDRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc1 ZINC000814036944 632777058 /nfs/dbraw/zinc/77/70/58/632777058.db2.gz NSAKAJHXQXSGFS-LBPRGKRZSA-N 1 0 294.351 2.350 20 5 CEBDRO [NH3+][C@@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2C1 ZINC000899323601 632784589 /nfs/dbraw/zinc/78/45/89/632784589.db2.gz RVJYFSXZIXAZKS-CQSZACIVSA-N 1 0 284.315 2.180 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578268 633033656 /nfs/dbraw/zinc/03/36/56/633033656.db2.gz LFYHBMVDABHJDU-NEPJUHHUSA-N 1 0 292.383 2.169 20 5 CEBDRO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585710 633034689 /nfs/dbraw/zinc/03/46/89/633034689.db2.gz PZCXKSDFPBTWCS-NEPJUHHUSA-N 1 0 292.383 2.169 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583940 633034756 /nfs/dbraw/zinc/03/47/56/633034756.db2.gz RNYLMDXKFDUWEZ-GMXVVIOVSA-N 1 0 292.383 2.310 20 5 CEBDRO C[C@H](OCCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899865454 633066900 /nfs/dbraw/zinc/06/69/00/633066900.db2.gz FXBHSTKBGBETDH-LBPRGKRZSA-N 1 0 252.314 2.021 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000899875961 633068792 /nfs/dbraw/zinc/06/87/92/633068792.db2.gz LHTIYVDNZHJPIE-KBPBESRZSA-N 1 0 264.325 2.021 20 5 CEBDRO Cc1ncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000818975102 634024842 /nfs/dbraw/zinc/02/48/42/634024842.db2.gz SUVVFTZBVPYECA-ZDUSSCGKSA-N 1 0 293.348 2.183 20 5 CEBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819142633 634081071 /nfs/dbraw/zinc/08/10/71/634081071.db2.gz SFAGABXMDJDBFG-CQSZACIVSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819188127 634097829 /nfs/dbraw/zinc/09/78/29/634097829.db2.gz CHOWLXYYCAJZEB-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(C3CC3)CC2)c1 ZINC000819187763 634098255 /nfs/dbraw/zinc/09/82/55/634098255.db2.gz SISWCDKROGBLEK-CQSZACIVSA-N 1 0 276.336 2.408 20 5 CEBDRO CC(C)SCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310101 634134220 /nfs/dbraw/zinc/13/42/20/634134220.db2.gz ZLVZFTQNBLMTIH-CYBMUJFWSA-N 1 0 284.381 2.359 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000903125708 634981891 /nfs/dbraw/zinc/98/18/91/634981891.db2.gz NVTDSHWXJIKWTO-JTQLQIEISA-N 1 0 282.340 2.273 20 5 CEBDRO C[C@@H](C[NH2+][C@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245230 635025900 /nfs/dbraw/zinc/02/59/00/635025900.db2.gz KRWQTIPBCQVPKP-WDEREUQCSA-N 1 0 289.339 2.178 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000903299112 635046564 /nfs/dbraw/zinc/04/65/64/635046564.db2.gz FCLYXYYNAMUKHX-RRFJBIMHSA-N 1 0 294.351 2.439 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC[NH2+]1 ZINC000903429995 635113881 /nfs/dbraw/zinc/11/38/81/635113881.db2.gz MSMXMUGRXVEJMY-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1c(-c2noc([C@H](C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269912 635119319 /nfs/dbraw/zinc/11/93/19/635119319.db2.gz LQQYNCXNGHWIDB-APPZFPTMSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1cc(-c2noc([C@@H](C)[C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270625 635119942 /nfs/dbraw/zinc/11/99/42/635119942.db2.gz UGHAKNREJDNFBG-DTWKUNHWSA-N 1 0 276.296 2.404 20 5 CEBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@H](C)[NH3+] ZINC000823270548 635120024 /nfs/dbraw/zinc/12/00/24/635120024.db2.gz SLGJENVQSUXZKL-XVKPBYJWSA-N 1 0 280.284 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1([NH+](C)C)CC1 ZINC000823682678 635251067 /nfs/dbraw/zinc/25/10/67/635251067.db2.gz LHELGZGPCNASFG-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800174 635277002 /nfs/dbraw/zinc/27/70/02/635277002.db2.gz USRUNZWBCZVPON-GDBMZVCRSA-N 1 0 289.379 2.341 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000824893322 635518552 /nfs/dbraw/zinc/51/85/52/635518552.db2.gz PNGHVNIYXRVBAP-YGRLFVJLSA-N 1 0 295.770 2.384 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000904462848 635635240 /nfs/dbraw/zinc/63/52/40/635635240.db2.gz LHMYPMAAPJQAAV-HZRUHFOJSA-N 1 0 275.352 2.196 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000905044570 635785803 /nfs/dbraw/zinc/78/58/03/635785803.db2.gz FCWKHXVLQXHEEP-UHFFFAOYSA-N 1 0 287.319 2.027 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000905086168 635800327 /nfs/dbraw/zinc/80/03/27/635800327.db2.gz AQTUPJPKODQBHA-LLVKDONJSA-N 1 0 285.141 2.303 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000905244676 636169526 /nfs/dbraw/zinc/16/95/26/636169526.db2.gz ZFDFAEGJMZLHHW-WDEREUQCSA-N 1 0 285.141 2.171 20 5 CEBDRO CC(C)Cc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905263741 636181904 /nfs/dbraw/zinc/18/19/04/636181904.db2.gz WIOFVSZNDUXFKT-MRXNPFEDSA-N 1 0 293.411 2.354 20 5 CEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000905365872 636246552 /nfs/dbraw/zinc/24/65/52/636246552.db2.gz REJQXASGFCQTEY-HQJQHLMTSA-N 1 0 293.150 2.282 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905423665 636274512 /nfs/dbraw/zinc/27/45/12/636274512.db2.gz QJALLCDLOKZVFF-SCOBNMCVSA-N 1 0 292.335 2.056 20 5 CEBDRO Cc1nn(C[C@@H]2C[NH2+]C[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000905732044 636422522 /nfs/dbraw/zinc/42/25/22/636422522.db2.gz WOXJCNJBXJROBS-KOLCDFICSA-N 1 0 274.324 2.108 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000828837383 636694901 /nfs/dbraw/zinc/69/49/01/636694901.db2.gz BSGCKYBQNWNPCG-CABCVRRESA-N 1 0 294.351 2.128 20 5 CEBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876517690 650299878 /nfs/dbraw/zinc/29/98/78/650299878.db2.gz ZZWBWVNGOMSPHP-LLVKDONJSA-N 1 0 299.330 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000876527677 650304862 /nfs/dbraw/zinc/30/48/62/650304862.db2.gz KBZNUFRKNXBTBY-LBPRGKRZSA-N 1 0 264.325 2.168 20 5 CEBDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000876545219 650316109 /nfs/dbraw/zinc/31/61/09/650316109.db2.gz JCFLYZHKEROCFL-JMEBYUIHSA-N 1 0 275.308 2.089 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876545034 650316561 /nfs/dbraw/zinc/31/65/61/650316561.db2.gz FVCRTIUEPLNPCY-HWPRWLFBSA-N 1 0 289.335 2.398 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC(=O)N1 ZINC000835061730 638045188 /nfs/dbraw/zinc/04/51/88/638045188.db2.gz VLEFPBUOWWRTKX-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000876666991 650388402 /nfs/dbraw/zinc/38/84/02/650388402.db2.gz QIRHRXYGHCIGOI-XYPYZODXSA-N 1 0 289.335 2.001 20 5 CEBDRO CC(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876887228 650474600 /nfs/dbraw/zinc/47/46/00/650474600.db2.gz OXGAVOWLJLNQQC-UHFFFAOYSA-N 1 0 252.318 2.131 20 5 CEBDRO CCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876892385 650476054 /nfs/dbraw/zinc/47/60/54/650476054.db2.gz BVGBNGQUBJVJFV-WHXUTIOJSA-N 1 0 252.318 2.273 20 5 CEBDRO CN(CCC[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011219 639617277 /nfs/dbraw/zinc/61/72/77/639617277.db2.gz NCMMJSCPFPDSEW-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841011414 639617684 /nfs/dbraw/zinc/61/76/84/639617684.db2.gz QDUHOSMYVQFSNL-QMMMGPOBSA-N 1 0 298.730 2.061 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841030906 639622605 /nfs/dbraw/zinc/62/26/05/639622605.db2.gz OUWKLYLQSWQKOE-RNCFNFMXSA-N 1 0 283.759 2.465 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841058434 639635821 /nfs/dbraw/zinc/63/58/21/639635821.db2.gz HAFKWYFGHBAPDT-RNCFNFMXSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000228559816 639644582 /nfs/dbraw/zinc/64/45/82/639644582.db2.gz YRHXCBGYRMURSI-JTQLQIEISA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc([N+](=O)[O-])c1 ZINC000228560033 639644603 /nfs/dbraw/zinc/64/46/03/639644603.db2.gz WOJHIWGMBNXIRQ-JTQLQIEISA-N 1 0 288.307 2.420 20 5 CEBDRO CSCCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229248793 639686225 /nfs/dbraw/zinc/68/62/25/639686225.db2.gz SQJVNWFEZFIQBF-CYBMUJFWSA-N 1 0 284.381 2.361 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208890 639746446 /nfs/dbraw/zinc/74/64/46/639746446.db2.gz AVJSVSMVIXRKBY-GWCFXTLKSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000172495252 639768370 /nfs/dbraw/zinc/76/83/70/639768370.db2.gz QBSQEDFPMYOOMM-NSHDSACASA-N 1 0 290.323 2.013 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476429 640076481 /nfs/dbraw/zinc/07/64/81/640076481.db2.gz OEAQOJKEXULVDC-RULNRJAQSA-N 1 0 281.331 2.210 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843100046 640280400 /nfs/dbraw/zinc/28/04/00/640280400.db2.gz SSSRNRKGMDTCSY-KYOSRNDESA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843129537 640296224 /nfs/dbraw/zinc/29/62/24/640296224.db2.gz PMSLEGRGRQZCTB-IUCAKERBSA-N 1 0 271.748 2.464 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877104913 650574652 /nfs/dbraw/zinc/57/46/52/650574652.db2.gz GAHVCXFGIPTHJD-SNVBAGLBSA-N 1 0 287.319 2.167 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000915624210 640595138 /nfs/dbraw/zinc/59/51/38/640595138.db2.gz MASSWWLYGPKCAY-ZDUSSCGKSA-N 1 0 293.367 2.219 20 5 CEBDRO CC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846953098 641496782 /nfs/dbraw/zinc/49/67/82/641496782.db2.gz MOUKJONFCLWSBE-UHFFFAOYSA-N 1 0 292.335 2.275 20 5 CEBDRO Cc1ccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847829997 641798649 /nfs/dbraw/zinc/79/86/49/641798649.db2.gz NUZYJDLLXCZPKA-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)o1 ZINC000848630535 642081688 /nfs/dbraw/zinc/08/16/88/642081688.db2.gz NSCNTSCUMCAPMY-ISVAXAHUSA-N 1 0 290.279 2.095 20 5 CEBDRO CCOCC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877536059 650773757 /nfs/dbraw/zinc/77/37/57/650773757.db2.gz IZILBRKURVHTCG-UHFFFAOYSA-N 1 0 296.371 2.147 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000922556762 643126502 /nfs/dbraw/zinc/12/65/02/643126502.db2.gz XBBJJEUZSVEJSV-GXTWGEPZSA-N 1 0 277.368 2.394 20 5 CEBDRO COCCCC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929344559 643457230 /nfs/dbraw/zinc/45/72/30/643457230.db2.gz ZANAQIHFNMGCTB-UHFFFAOYSA-N 1 0 266.341 2.192 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534471 643755022 /nfs/dbraw/zinc/75/50/22/643755022.db2.gz PMFMIWRSTBTIDN-HNNXBMFYSA-N 1 0 293.342 2.452 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000877742629 650887583 /nfs/dbraw/zinc/88/75/83/650887583.db2.gz FSCQYSVPKAFWNU-UONOGXRCSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839197291 644190274 /nfs/dbraw/zinc/19/02/74/644190274.db2.gz XNVXVPDPTKUMMI-KAOXEZKKSA-N 1 0 276.336 2.406 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000856282225 644627538 /nfs/dbraw/zinc/62/75/38/644627538.db2.gz SHLHDXNFRLTKMO-UHFFFAOYSA-N 1 0 287.404 2.059 20 5 CEBDRO COC1([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000839658124 644764919 /nfs/dbraw/zinc/76/49/19/644764919.db2.gz BARYRPDBYOKLSU-SMDDNHRTSA-N 1 0 294.351 2.175 20 5 CEBDRO CC1CC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000857239568 644867625 /nfs/dbraw/zinc/86/76/25/644867625.db2.gz CWYGQJGABCEDNR-MGULZYLOSA-N 1 0 264.325 2.264 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761075003 645230972 /nfs/dbraw/zinc/23/09/72/645230972.db2.gz ZJFYTMMAQRUEAO-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000761112971 645243585 /nfs/dbraw/zinc/24/35/85/645243585.db2.gz LUDHVVRRPVPBCJ-CMPLNLGQSA-N 1 0 286.278 2.215 20 5 CEBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822917 645263460 /nfs/dbraw/zinc/26/34/60/645263460.db2.gz QMUCOMJWAYLOSM-VHSXEESVSA-N 1 0 294.311 2.080 20 5 CEBDRO C[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524334 645293720 /nfs/dbraw/zinc/29/37/20/645293720.db2.gz BIGGOOGKTIIHFF-VIFPVBQESA-N 1 0 272.732 2.356 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C ZINC000761531132 645294164 /nfs/dbraw/zinc/29/41/64/645294164.db2.gz ANZRULZCWCWGQL-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO COC1CC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000859058561 645340676 /nfs/dbraw/zinc/34/06/76/645340676.db2.gz YIPXOROAOFUWJR-UHFFFAOYSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163589 645721926 /nfs/dbraw/zinc/72/19/26/645721926.db2.gz AYXRXHLQFOEUMX-MISXGVKJSA-N 1 0 290.319 2.069 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765335226 645758128 /nfs/dbraw/zinc/75/81/28/645758128.db2.gz UAIJIKOBHFDZGU-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849353 645816502 /nfs/dbraw/zinc/81/65/02/645816502.db2.gz PAOZLWFXPYXVLP-SKDRFNHKSA-N 1 0 293.348 2.436 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943852 645824578 /nfs/dbraw/zinc/82/45/78/645824578.db2.gz NEXOKFXITKSDDD-NSPYISDASA-N 1 0 284.381 2.322 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000770396070 646387302 /nfs/dbraw/zinc/38/73/02/646387302.db2.gz IVDWUQXOTOANMD-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)OCCO1 ZINC000773139796 646709831 /nfs/dbraw/zinc/70/98/31/646709831.db2.gz RMUODZYLYGLQDB-LLVKDONJSA-N 1 0 280.324 2.317 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)c1 ZINC000863658540 646781197 /nfs/dbraw/zinc/78/11/97/646781197.db2.gz POCDHHYXUZVXFU-MWLCHTKSSA-N 1 0 292.270 2.265 20 5 CEBDRO CCCCC[N@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582805 647074374 /nfs/dbraw/zinc/07/43/74/647074374.db2.gz VRRYVFDHLQANRR-OAHLLOKOSA-N 1 0 296.367 2.113 20 5 CEBDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776589965 647075331 /nfs/dbraw/zinc/07/53/31/647075331.db2.gz XQINNYNHWCLAOE-WDMOLILDSA-N 1 0 264.325 2.216 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000778078570 647198488 /nfs/dbraw/zinc/19/84/88/647198488.db2.gz NBBMDNILEYKCNH-SNVBAGLBSA-N 1 0 290.298 2.245 20 5 CEBDRO Cc1c(CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000779195005 647296652 /nfs/dbraw/zinc/29/66/52/647296652.db2.gz QUCLIPIKCCHTEE-UHFFFAOYSA-N 1 0 265.357 2.287 20 5 CEBDRO CC(C)[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000866086087 647602770 /nfs/dbraw/zinc/60/27/70/647602770.db2.gz OJIMYOPFUNDMAU-UHFFFAOYSA-N 1 0 293.371 2.307 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206285 647669323 /nfs/dbraw/zinc/66/93/23/647669323.db2.gz RIWSEGVLCICTDL-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000866206096 647669462 /nfs/dbraw/zinc/66/94/62/647669462.db2.gz JCQQLIFKAZCJDX-GWCFXTLKSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206598 647670482 /nfs/dbraw/zinc/67/04/82/647670482.db2.gz SNXWKPXPDLUHFE-PWSUYJOCSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000866228171 647681736 /nfs/dbraw/zinc/68/17/36/647681736.db2.gz GNGAOLDVWMEGTA-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267791 647705767 /nfs/dbraw/zinc/70/57/67/647705767.db2.gz SUDIIGIYBCORJM-NXEZZACHSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274978 647712323 /nfs/dbraw/zinc/71/23/23/647712323.db2.gz BYRGRVGWJGFALB-GHMZBOCLSA-N 1 0 284.331 2.273 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866299575 647721879 /nfs/dbraw/zinc/72/18/79/647721879.db2.gz LMHRLCGWEYUPFB-SECBINFHSA-N 1 0 292.314 2.486 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1Cl ZINC000783599918 647735698 /nfs/dbraw/zinc/73/56/98/647735698.db2.gz HRYKLCGZKMHSEP-VIFPVBQESA-N 1 0 298.648 2.261 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000866376003 647763465 /nfs/dbraw/zinc/76/34/65/647763465.db2.gz ILZYBLYIWTVFTP-LLVKDONJSA-N 1 0 295.358 2.349 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866391655 647770229 /nfs/dbraw/zinc/77/02/29/647770229.db2.gz MRIDFPPPGJTNPM-FZZIBODNSA-N 1 0 282.315 2.432 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866446291 647790848 /nfs/dbraw/zinc/79/08/48/647790848.db2.gz DXSXBWYMOIYIRI-PRFIWBCESA-N 1 0 279.340 2.394 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)c(Cl)c1 ZINC000784545115 647861570 /nfs/dbraw/zinc/86/15/70/647861570.db2.gz NUMSZXBBTUKGIJ-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867996370 648015261 /nfs/dbraw/zinc/01/52/61/648015261.db2.gz ZEQLPXVMTRSFBZ-FZMZJTMJSA-N 1 0 293.367 2.139 20 5 CEBDRO O=[N+]([O-])CC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000791052044 648476340 /nfs/dbraw/zinc/47/63/40/648476340.db2.gz KIHNXJUZHKZOCJ-UHFFFAOYSA-N 1 0 289.379 2.038 20 5 CEBDRO C[C@@H](C(=O)OCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000792186295 648621472 /nfs/dbraw/zinc/62/14/72/648621472.db2.gz BVKWVIVQXQIZOH-LLVKDONJSA-N 1 0 280.324 2.193 20 5 CEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000792195832 648623228 /nfs/dbraw/zinc/62/32/28/648623228.db2.gz GACFOIGIQHCUQO-CHWSQXEVSA-N 1 0 292.335 2.335 20 5 CEBDRO C[C@@H](NC[C@@H](C)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034177 649248237 /nfs/dbraw/zinc/24/82/37/649248237.db2.gz MAVOEIWRGDYLCH-NXEZZACHSA-N 1 0 269.320 2.335 20 5 CEBDRO C[C@H](NC[C@H](C)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034178 649248676 /nfs/dbraw/zinc/24/86/76/649248676.db2.gz MAVOEIWRGDYLCH-UWVGGRQHSA-N 1 0 269.320 2.335 20 5 CEBDRO Cc1c(C(=O)N2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000872290479 649347052 /nfs/dbraw/zinc/34/70/52/649347052.db2.gz SOJHIGAFNSKNDC-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COCCOCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873010139 649530561 /nfs/dbraw/zinc/53/05/61/649530561.db2.gz ZLTHHXSSIYQTHF-UHFFFAOYSA-N 1 0 296.367 2.354 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)O ZINC000873050756 649544506 /nfs/dbraw/zinc/54/45/06/649544506.db2.gz RNSZZJAUZJJPOB-JTQLQIEISA-N 1 0 252.314 2.072 20 5 CEBDRO CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124389915 649555075 /nfs/dbraw/zinc/55/50/75/649555075.db2.gz RHTNSXKDWSLMLY-JTQLQIEISA-N 1 0 258.705 2.109 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CCO)CC1 ZINC000873110867 649559773 /nfs/dbraw/zinc/55/97/73/649559773.db2.gz XLQRJDFUIYMTNH-UHFFFAOYSA-N 1 0 278.352 2.464 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873178602 649579599 /nfs/dbraw/zinc/57/95/99/649579599.db2.gz ZRADUAIERSVFRU-YMWXHWIMSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000874471144 649779798 /nfs/dbraw/zinc/77/97/98/649779798.db2.gz XLXOHXBMRINEJN-NSHDSACASA-N 1 0 293.367 2.282 20 5 CEBDRO CO[C@H]1CC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317194 651282774 /nfs/dbraw/zinc/28/27/74/651282774.db2.gz CCFORZKCKUOOOA-DOMZBBRYSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879999798 651371686 /nfs/dbraw/zinc/37/16/86/651371686.db2.gz AZLJCBHWSGTUGT-SNVBAGLBSA-N 1 0 292.261 2.066 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880145142 651391949 /nfs/dbraw/zinc/39/19/49/651391949.db2.gz HUKZREHIVVSCDI-SNVBAGLBSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CC[S@](C)=O)cccc1[N+](=O)[O-] ZINC000128391823 651433398 /nfs/dbraw/zinc/43/33/98/651433398.db2.gz MCLCMSZRKKGGAY-GIGQVBGESA-N 1 0 284.381 2.150 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000882486573 652099469 /nfs/dbraw/zinc/09/94/69/652099469.db2.gz MBFKSWKYIAWGCF-NSHDSACASA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000882960286 652291262 /nfs/dbraw/zinc/29/12/62/652291262.db2.gz FQFPXODPLFAMRN-ZDUSSCGKSA-N 1 0 279.340 2.247 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883268377 652418575 /nfs/dbraw/zinc/41/85/75/652418575.db2.gz JSCVYEGTNNSSCI-CQSZACIVSA-N 1 0 290.319 2.129 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884043021 652653458 /nfs/dbraw/zinc/65/34/58/652653458.db2.gz MXCQEVJTRWRZDW-GFCCVEGCSA-N 1 0 293.367 2.459 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000884044896 652655559 /nfs/dbraw/zinc/65/55/59/652655559.db2.gz ZLQVAQZJXYGFFU-LBPRGKRZSA-N 1 0 279.340 2.476 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1C ZINC000884372257 652821095 /nfs/dbraw/zinc/82/10/95/652821095.db2.gz JLMKZJLMWIMSQC-VHSXEESVSA-N 1 0 279.340 2.067 20 5 CEBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408067840 719153645 /nfs/dbraw/zinc/15/36/45/719153645.db2.gz PIKFZQZMMHWWNW-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1c(C)c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164642611 719210779 /nfs/dbraw/zinc/21/07/79/719210779.db2.gz WUKLWGUWUNEXQP-VHSXEESVSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1ccnc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000265278915 719330763 /nfs/dbraw/zinc/33/07/63/719330763.db2.gz WBBWCQPBOGQPPW-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO COCC[NH+]1CCC(Oc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001226953070 805804943 /nfs/dbraw/zinc/80/49/43/805804943.db2.gz QZSBVQXJHAXCPW-UHFFFAOYSA-N 1 0 294.351 2.393 20 5 CEBDRO O=[N+]([O-])c1cnc(O[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC001218278634 803574602 /nfs/dbraw/zinc/57/46/02/803574602.db2.gz GHPWNASSWRODCJ-QMMMGPOBSA-N 1 0 291.229 2.139 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000698174767 807021326 /nfs/dbraw/zinc/02/13/26/807021326.db2.gz LSOXICXJVXTJRY-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001225942739 805385422 /nfs/dbraw/zinc/38/54/22/805385422.db2.gz VKMWVHMBMOECSF-CYBMUJFWSA-N 1 0 266.272 2.207 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010898 805486782 /nfs/dbraw/zinc/48/67/82/805486782.db2.gz VACGMOFITJASQI-KOLCDFICSA-N 1 0 283.759 2.417 20 5 CEBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249276 815079725 /nfs/dbraw/zinc/07/97/25/815079725.db2.gz AUNUFBLPBCSDET-MNOVXSKESA-N 1 0 284.385 2.044 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[C@H](F)C3)C2)c1 ZINC001119304662 815087259 /nfs/dbraw/zinc/08/72/59/815087259.db2.gz WKYHFSDGJSDGGI-DMOGRIERSA-N 1 0 282.319 2.365 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC001120476086 815226600 /nfs/dbraw/zinc/22/66/00/815226600.db2.gz SMOFHAVWPNTBNE-NWDGAFQWSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001120597332 815243071 /nfs/dbraw/zinc/24/30/71/815243071.db2.gz RCYHEXCMSIMYBR-HZPDHXFCSA-N 1 0 289.379 2.005 20 5 CEBDRO CC[C@H](C)C[C@@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168689463 808975650 /nfs/dbraw/zinc/97/56/50/808975650.db2.gz HTHLNQCSZSHURG-VHSXEESVSA-N 1 0 293.371 2.308 20 5 CEBDRO C[NH+](C)CCOc1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC001161815908 809162965 /nfs/dbraw/zinc/16/29/65/809162965.db2.gz SFRXGYHGVQFWCN-UHFFFAOYSA-N 1 0 289.282 2.212 20 5 CEBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)C1O ZINC000700345150 809301446 /nfs/dbraw/zinc/30/14/46/809301446.db2.gz AGMMVAQXZSIUAL-NXEZZACHSA-N 1 0 282.315 2.183 20 5 CEBDRO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[C@H]1O ZINC000700345148 809302014 /nfs/dbraw/zinc/30/20/14/809302014.db2.gz AGMMVAQXZSIUAL-MSRIBSCDSA-N 1 0 282.315 2.183 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCCC[NH3+])c1 ZINC000700442520 809309975 /nfs/dbraw/zinc/30/99/75/809309975.db2.gz IKDKMKXYGMKRRK-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700603446 809331395 /nfs/dbraw/zinc/33/13/95/809331395.db2.gz VVBSFCPBMGRWGH-UWVGGRQHSA-N 1 0 297.742 2.248 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701051212 809383294 /nfs/dbraw/zinc/38/32/94/809383294.db2.gz NJRKLSVZSRMING-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC001120884837 815290746 /nfs/dbraw/zinc/29/07/46/815290746.db2.gz QXGXSPHXLOXZBJ-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061938 809492171 /nfs/dbraw/zinc/49/21/71/809492171.db2.gz GARJBGIUMQPKGY-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(F)cc1[N+](=O)[O-] ZINC000703584527 809666567 /nfs/dbraw/zinc/66/65/67/809666567.db2.gz RZPAWHVXHLVVSC-IINYFYTJSA-N 1 0 279.315 2.088 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000704518465 809737976 /nfs/dbraw/zinc/73/79/76/809737976.db2.gz LTTISUNXDWLOBL-AWEZNQCLSA-N 1 0 281.331 2.164 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccns2)cc1 ZINC000709825306 809970601 /nfs/dbraw/zinc/97/06/01/809970601.db2.gz LOQPTQZUWMIYCM-UHFFFAOYSA-N 1 0 277.349 2.426 20 5 CEBDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001230472030 810540320 /nfs/dbraw/zinc/54/03/20/810540320.db2.gz ZHTDYGXWZMMHOC-LLVKDONJSA-N 1 0 250.298 2.295 20 5 CEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122239097 815395128 /nfs/dbraw/zinc/39/51/28/815395128.db2.gz ATTJEQJDCQIALH-ZDUSSCGKSA-N 1 0 295.364 2.015 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122268007 815398312 /nfs/dbraw/zinc/39/83/12/815398312.db2.gz UNIAITKNNWBQTH-ABAIWWIYSA-N 1 0 293.367 2.332 20 5 CEBDRO C[C@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367434 815405446 /nfs/dbraw/zinc/40/54/46/815405446.db2.gz BXVILNMFQQIKGL-ZUZCIYMTSA-N 1 0 291.351 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)nc1Cl ZINC001155916250 811161739 /nfs/dbraw/zinc/16/17/39/811161739.db2.gz NEZSFEOGNVZFHG-QMMMGPOBSA-N 1 0 272.736 2.314 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712338635 811198262 /nfs/dbraw/zinc/19/82/62/811198262.db2.gz VLWYKQXPDJVRQT-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO COc1cccc(F)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976198 811304620 /nfs/dbraw/zinc/30/46/20/811304620.db2.gz ZHSMIIRFQPXBRV-QWRGUYRKSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]Cc1cccc2cnn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168976323 811304689 /nfs/dbraw/zinc/30/46/89/811304689.db2.gz CTBOOJSCVRVSGR-ZWNOBZJWSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC001168977984 811307033 /nfs/dbraw/zinc/30/70/33/811307033.db2.gz NKGPDSKTJUZDOE-XUJVJEKNSA-N 1 0 275.352 2.494 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168980612 811308186 /nfs/dbraw/zinc/30/81/86/811308186.db2.gz DZEXJRKGHZQWBZ-IGQOVBAYSA-N 1 0 298.383 2.143 20 5 CEBDRO [NH3+]CC[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979218 811308350 /nfs/dbraw/zinc/30/83/50/811308350.db2.gz XFWBBPYPQAFCQL-MCIONIFRSA-N 1 0 289.379 2.384 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC001168984869 811310796 /nfs/dbraw/zinc/31/07/96/811310796.db2.gz AUHOUHISEHNKMO-IUCAKERBSA-N 1 0 254.252 2.364 20 5 CEBDRO COc1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957506 811311987 /nfs/dbraw/zinc/31/19/87/811311987.db2.gz IISZSYJLFOMDST-YPMHNXCESA-N 1 0 264.325 2.230 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001168959422 811313493 /nfs/dbraw/zinc/31/34/93/811313493.db2.gz VVVDUIIPRVJYQT-BNOWGMLFSA-N 1 0 276.336 2.025 20 5 CEBDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168962352 811315154 /nfs/dbraw/zinc/31/51/54/811315154.db2.gz LRFMIJVSXBHWGY-TZMCWYRMSA-N 1 0 292.335 2.008 20 5 CEBDRO COC(=O)CCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168961849 811315831 /nfs/dbraw/zinc/31/58/31/811315831.db2.gz KGNDJVNPINJXAP-CHWSQXEVSA-N 1 0 286.372 2.145 20 5 CEBDRO COC(=O)C1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965513 811317077 /nfs/dbraw/zinc/31/70/77/811317077.db2.gz AGGZTZRYQKSTDZ-FKZOYECMSA-N 1 0 298.383 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001168966940 811318550 /nfs/dbraw/zinc/31/85/50/811318550.db2.gz MIDCRCZBSMKMHJ-BXKDBHETSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168973401 811322497 /nfs/dbraw/zinc/32/24/97/811322497.db2.gz OPVKZEWHAFDPLG-NEPJUHHUSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]Cc1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975484 811322844 /nfs/dbraw/zinc/32/28/44/811322844.db2.gz VXQRGIPSCKQQMO-WDEREUQCSA-N 1 0 274.324 2.113 20 5 CEBDRO [NH3+]Cc1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975483 811323074 /nfs/dbraw/zinc/32/30/74/811323074.db2.gz VXQRGIPSCKQQMO-QWRGUYRKSA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1cccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168998561 811326144 /nfs/dbraw/zinc/32/61/44/811326144.db2.gz OPWKDDHGAZANRZ-UONOGXRCSA-N 1 0 289.379 2.457 20 5 CEBDRO CCOC1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999733 811326700 /nfs/dbraw/zinc/32/67/00/811326700.db2.gz UUBLYGCHIRYFQW-AHPWVWPOSA-N 1 0 270.373 2.369 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001169001045 811327714 /nfs/dbraw/zinc/32/77/14/811327714.db2.gz CNCVNFQCXZRCBK-LOWVWBTDSA-N 1 0 279.340 2.186 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987258 811335912 /nfs/dbraw/zinc/33/59/12/811335912.db2.gz HSVMFNDPLRIYGB-RYUDHWBXSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990866 811340118 /nfs/dbraw/zinc/34/01/18/811340118.db2.gz FDJZSWQTODMKAA-CABCVRRESA-N 1 0 295.427 2.415 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035962 811345902 /nfs/dbraw/zinc/34/59/02/811345902.db2.gz MJOQWYHQKMQSBX-FZMZJTMJSA-N 1 0 276.336 2.456 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC001169024478 811354655 /nfs/dbraw/zinc/35/46/55/811354655.db2.gz HKOABEPZVCHCDH-HZSPNIEDSA-N 1 0 275.352 2.316 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ncccn2)C1 ZINC001169050637 811356812 /nfs/dbraw/zinc/35/68/12/811356812.db2.gz CBYXWAUOBAADDG-AGIUHOORSA-N 1 0 276.340 2.059 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@]2(C)CCC[NH2+]C2)n1 ZINC001156967889 811974870 /nfs/dbraw/zinc/97/48/70/811974870.db2.gz KINFJUBTWYRZMJ-CQSZACIVSA-N 1 0 278.356 2.185 20 5 CEBDRO CN(c1ccc2cnccc2c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170059974 812018669 /nfs/dbraw/zinc/01/86/69/812018669.db2.gz ZVXZXSOFORCBFM-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001170290388 812383923 /nfs/dbraw/zinc/38/39/23/812383923.db2.gz BBGYVYDHOCMDPA-SMDDNHRTSA-N 1 0 294.351 2.303 20 5 CEBDRO CC(C)N1CC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254538355 812478442 /nfs/dbraw/zinc/47/84/42/812478442.db2.gz STWZSOVIBPUXCY-GFCCVEGCSA-N 1 0 277.368 2.208 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(=O)C1 ZINC001254538614 812478850 /nfs/dbraw/zinc/47/88/50/812478850.db2.gz XEWQAPSALUSFEV-SNVBAGLBSA-N 1 0 262.309 2.095 20 5 CEBDRO CC[N@H+](CCC(=O)OC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565447 812485403 /nfs/dbraw/zinc/48/54/03/812485403.db2.gz PGAGKAVIBOYRMH-LBPRGKRZSA-N 1 0 294.351 2.411 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897644 815539380 /nfs/dbraw/zinc/53/93/80/815539380.db2.gz BWCYRJHQEPAAMR-IUODEOHRSA-N 1 0 291.395 2.382 20 5 CEBDRO C[C@H](CCO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898784 815539525 /nfs/dbraw/zinc/53/95/25/815539525.db2.gz JGLCAKUPZNKKMB-RISCZKNCSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](O)C1)CC2 ZINC001172907528 815541131 /nfs/dbraw/zinc/54/11/31/815541131.db2.gz GWJSVBFQDCEZGC-GOEBONIOSA-N 1 0 290.363 2.299 20 5 CEBDRO [NH3+]CCc1cc2ccccc2n1-c1ncccc1[N+](=O)[O-] ZINC001171302722 814435537 /nfs/dbraw/zinc/43/55/37/814435537.db2.gz RIVUHUZKDGENBU-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H]2CCCC[NH2+]C2)c1 ZINC000697064099 814644352 /nfs/dbraw/zinc/64/43/52/814644352.db2.gz MINAZLIMZWPROC-LLVKDONJSA-N 1 0 250.298 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CC=CC3)sc2c1 ZINC001116189221 814839414 /nfs/dbraw/zinc/83/94/14/814839414.db2.gz GIAPGGWOFFRSJL-UHFFFAOYSA-N 1 0 290.348 2.488 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(C)n1 ZINC001173218269 815625136 /nfs/dbraw/zinc/62/51/36/815625136.db2.gz PKGDDMGWBLGZFO-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H](CO)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221722 815626375 /nfs/dbraw/zinc/62/63/75/815626375.db2.gz PKEJQVFTMPDWBC-NEPJUHHUSA-N 1 0 266.341 2.134 20 5 CEBDRO COC[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221067 815626445 /nfs/dbraw/zinc/62/64/45/815626445.db2.gz FRIREOMLQIXSBT-OCCSQVGLSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nncs1 ZINC001173225150 815629056 /nfs/dbraw/zinc/62/90/56/815629056.db2.gz QUSJMYGYJOTLJW-JTQLQIEISA-N 1 0 292.364 2.210 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001173228460 815631588 /nfs/dbraw/zinc/63/15/88/815631588.db2.gz XEOIFPFTGUVUKF-CZUORRHYSA-N 1 0 289.379 2.306 20 5 CEBDRO Cc1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212089 815634916 /nfs/dbraw/zinc/63/49/16/815634916.db2.gz WPDMPXBRDCRRNT-LBPRGKRZSA-N 1 0 286.335 2.414 20 5 CEBDRO CC(C)[C@](C)([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173212618 815635446 /nfs/dbraw/zinc/63/54/46/815635446.db2.gz BQNQNJSOUOASEN-ABAIWWIYSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176037468 816333773 /nfs/dbraw/zinc/33/37/73/816333773.db2.gz VPGAHKVSKLPDIV-JTQLQIEISA-N 1 0 272.308 2.423 20 5 CEBDRO CC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177696934 816607851 /nfs/dbraw/zinc/60/78/51/816607851.db2.gz SLTUOLZIDSURMU-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO CC(C)([NH2+]C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000492332830 290604290 /nfs/dbraw/zinc/60/42/90/290604290.db2.gz IHMQDLCTDGDYAU-NSHDSACASA-N 1 0 264.325 2.456 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000601305756 346816216 /nfs/dbraw/zinc/81/62/16/346816216.db2.gz ZMWFVKODQNEDOD-WHOFXGATSA-N 1 0 278.352 2.419 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000127670037 187324752 /nfs/dbraw/zinc/32/47/52/187324752.db2.gz YULUABUZDXSZTM-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000121301719 365548617 /nfs/dbraw/zinc/54/86/17/365548617.db2.gz PWEGMBBSFCJUNJ-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000035010275 361802622 /nfs/dbraw/zinc/80/26/22/361802622.db2.gz JAQUFWFTFSXAFH-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000122752504 365631183 /nfs/dbraw/zinc/63/11/83/365631183.db2.gz SPFFYSATAKRKDK-QWRGUYRKSA-N 1 0 291.351 2.172 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325027 346821025 /nfs/dbraw/zinc/82/10/25/346821025.db2.gz XLTRUMQYOGRMTB-CYBMUJFWSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000036781461 361857230 /nfs/dbraw/zinc/85/72/30/361857230.db2.gz HPNMARBBNXXDQQ-LLVKDONJSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000080579967 344015209 /nfs/dbraw/zinc/01/52/09/344015209.db2.gz AYOVSDHSLSOHSJ-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC[C@H](CO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449374660 282204316 /nfs/dbraw/zinc/20/43/16/282204316.db2.gz BMQLJDXYZRNKSS-FWPCIQOSSA-N 1 0 264.325 2.311 20 5 CEBDRO CCOc1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000080786881 344024506 /nfs/dbraw/zinc/02/45/06/344024506.db2.gz DHQKVYONVBXFEB-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)F ZINC000449420746 282228863 /nfs/dbraw/zinc/22/88/63/282228863.db2.gz GLDNQNIVODONNC-GHMZBOCLSA-N 1 0 292.257 2.228 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCO2)cs1 ZINC000042817425 362121761 /nfs/dbraw/zinc/12/17/61/362121761.db2.gz OSTQZTGZVSOOBP-JTQLQIEISA-N 1 0 256.327 2.315 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000043411886 362145058 /nfs/dbraw/zinc/14/50/58/362145058.db2.gz WVVGQNCYQBRLPX-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)CC1 ZINC000026859295 343391103 /nfs/dbraw/zinc/39/11/03/343391103.db2.gz XTRXXCVKGQGLIF-SNVBAGLBSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000029606941 343400975 /nfs/dbraw/zinc/40/09/75/343400975.db2.gz YPHCIGMJVRRCNI-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ncccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000037650659 343430277 /nfs/dbraw/zinc/43/02/77/343430277.db2.gz NGTYDAKIAOWELI-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1c(OCc2nc(C(C)(C)[NH3+])no2)cccc1[N+](=O)[O-] ZINC000043402667 343463692 /nfs/dbraw/zinc/46/36/92/343463692.db2.gz PEHWWYXHISQOLQ-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000043468030 343464162 /nfs/dbraw/zinc/46/41/62/343464162.db2.gz UGZIKJIXGGPBNL-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000048566588 343531374 /nfs/dbraw/zinc/53/13/74/343531374.db2.gz UWAZSHPPNVMTMN-UHFFFAOYSA-N 1 0 281.360 2.003 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048752174 343532550 /nfs/dbraw/zinc/53/25/50/343532550.db2.gz DXHNYQJOHSKCGE-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000052072616 343554883 /nfs/dbraw/zinc/55/48/83/343554883.db2.gz FKEBUMOQATZPIK-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000052072100 343554976 /nfs/dbraw/zinc/55/49/76/343554976.db2.gz LINXATDLCZKIJC-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373786 343589288 /nfs/dbraw/zinc/58/92/88/343589288.db2.gz OKTRMARTLNPJBF-LLVKDONJSA-N 1 0 296.371 2.163 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CCC[NH2+]CC1 ZINC000601979798 346948688 /nfs/dbraw/zinc/94/86/88/346948688.db2.gz CEVRGKZVDZSZHG-JTQLQIEISA-N 1 0 265.313 2.157 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449566090 282285845 /nfs/dbraw/zinc/28/58/45/282285845.db2.gz MMTPXFNMACABQC-JTQLQIEISA-N 1 0 279.340 2.014 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000449589377 282294556 /nfs/dbraw/zinc/29/45/56/282294556.db2.gz JZDLKNZDDUOTNG-UWVGGRQHSA-N 1 0 293.367 2.358 20 5 CEBDRO CC(C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378445 343735384 /nfs/dbraw/zinc/73/53/84/343735384.db2.gz FOHAPBASSQFBPF-CQSZACIVSA-N 1 0 291.351 2.288 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602021638 346962504 /nfs/dbraw/zinc/96/25/04/346962504.db2.gz QTWHQBPGSJMPBX-DRYSKOCLSA-N 1 0 273.336 2.044 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000069137642 343781033 /nfs/dbraw/zinc/78/10/33/343781033.db2.gz DVBPGUQVPSBDJX-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000077995523 343939155 /nfs/dbraw/zinc/93/91/55/343939155.db2.gz MZFVLSWSGFSDMB-LBPRGKRZSA-N 1 0 293.367 2.283 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078563031 343957291 /nfs/dbraw/zinc/95/72/91/343957291.db2.gz YRYBNAOKMTWWMR-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671123 343960783 /nfs/dbraw/zinc/96/07/83/343960783.db2.gz URCAMZXKUOQEIP-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC1 ZINC000048579957 362288033 /nfs/dbraw/zinc/28/80/33/362288033.db2.gz GUCGFMWEHMDADO-SNVBAGLBSA-N 1 0 277.324 2.264 20 5 CEBDRO COCC[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000088494245 344110060 /nfs/dbraw/zinc/11/00/60/344110060.db2.gz LTUYVKDJKOVBIU-LLVKDONJSA-N 1 0 252.314 2.452 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)c1 ZINC000092639824 344197011 /nfs/dbraw/zinc/19/70/11/344197011.db2.gz UAMOASSBVZSGCE-UHFFFAOYSA-N 1 0 297.330 2.496 20 5 CEBDRO CC[N@H+](CCc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602451177 347038180 /nfs/dbraw/zinc/03/81/80/347038180.db2.gz ZIURCQQRCHHNAF-UHFFFAOYSA-N 1 0 294.380 2.454 20 5 CEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449709845 282337203 /nfs/dbraw/zinc/33/72/03/282337203.db2.gz KKDTZICWPHPXMB-DTWKUNHWSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468124 347044853 /nfs/dbraw/zinc/04/48/53/347044853.db2.gz UGNSTZIXBLFCJI-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801057 344307994 /nfs/dbraw/zinc/30/79/94/344307994.db2.gz UTHNSRCAHJMWHV-RISCZKNCSA-N 1 0 293.367 2.163 20 5 CEBDRO C[NH+]1CCC(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000133905389 344371370 /nfs/dbraw/zinc/37/13/70/344371370.db2.gz RVYJXDZDRBHYHE-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050015584 362389613 /nfs/dbraw/zinc/38/96/13/362389613.db2.gz CUHXWXGFEJIYKH-MBNYWOFBSA-N 1 0 277.368 2.413 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449721864 282342478 /nfs/dbraw/zinc/34/24/78/282342478.db2.gz KFZOTZQESKYWAC-MFKMUULPSA-N 1 0 291.351 2.014 20 5 CEBDRO CCC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000159303737 344454663 /nfs/dbraw/zinc/45/46/63/344454663.db2.gz YDUZSUNKCFJAHH-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000170741112 344489213 /nfs/dbraw/zinc/48/92/13/344489213.db2.gz BDJPLHYOWMOZOS-GFCCVEGCSA-N 1 0 281.381 2.326 20 5 CEBDRO CC(C)(CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227955069 344557614 /nfs/dbraw/zinc/55/76/14/344557614.db2.gz NUCKFHUQLSPWRO-UHFFFAOYSA-N 1 0 266.341 2.136 20 5 CEBDRO CSC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229359713 344566699 /nfs/dbraw/zinc/56/66/99/344566699.db2.gz CHECZIJEYCIFPG-JTQLQIEISA-N 1 0 254.355 2.478 20 5 CEBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415480660 529997774 /nfs/dbraw/zinc/99/77/74/529997774.db2.gz HWUAGKIJAPJJEF-VIFPVBQESA-N 1 0 294.355 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)C1CCC1 ZINC000449742342 282349269 /nfs/dbraw/zinc/34/92/69/282349269.db2.gz YYNZNPZWPCGTDQ-UFRMUOTOSA-N 1 0 276.336 2.359 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000052102938 362466295 /nfs/dbraw/zinc/46/62/95/362466295.db2.gz JWHYSPYCKUYULM-AWEZNQCLSA-N 1 0 280.324 2.084 20 5 CEBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279676054 344673281 /nfs/dbraw/zinc/67/32/81/344673281.db2.gz DWXCAIZGFKKQQL-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1noc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000284739952 344678438 /nfs/dbraw/zinc/67/84/38/344678438.db2.gz KWKIXEXHLFPVHG-UHFFFAOYSA-N 1 0 290.323 2.354 20 5 CEBDRO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915224 344638143 /nfs/dbraw/zinc/63/81/43/344638143.db2.gz YAQZHOSSXLACAI-DGCLKSJQSA-N 1 0 263.341 2.154 20 5 CEBDRO CC[C@@H]([NH2+]C1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000313131514 344741629 /nfs/dbraw/zinc/74/16/29/344741629.db2.gz DORIEBIWTKGVHN-CQSZACIVSA-N 1 0 280.324 2.051 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313850147 344743994 /nfs/dbraw/zinc/74/39/94/344743994.db2.gz SBIJRXBHTAHUEA-LBPRGKRZSA-N 1 0 293.302 2.174 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159708 344709573 /nfs/dbraw/zinc/70/95/73/344709573.db2.gz DUVDABPIFSPMDJ-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO COC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563474 347079541 /nfs/dbraw/zinc/07/95/41/347079541.db2.gz WRIDJRKVHGVVKK-UHFFFAOYSA-N 1 0 279.296 2.251 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602576482 347085493 /nfs/dbraw/zinc/08/54/93/347085493.db2.gz OEDNMCRABRRDIV-AWEZNQCLSA-N 1 0 291.307 2.395 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000588071896 345037570 /nfs/dbraw/zinc/03/75/70/345037570.db2.gz NTLOOZCGBUIGCB-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000588835192 345057116 /nfs/dbraw/zinc/05/71/16/345057116.db2.gz GQVCQTJFFWHSQM-JTQLQIEISA-N 1 0 287.385 2.161 20 5 CEBDRO O=C(CC[NH+]1CC(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000589656495 345092886 /nfs/dbraw/zinc/09/28/86/345092886.db2.gz MJOWDFQLKYCAAL-UHFFFAOYSA-N 1 0 289.335 2.265 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590570318 345146299 /nfs/dbraw/zinc/14/62/99/345146299.db2.gz WLBFBBAPEYISTQ-SMDDNHRTSA-N 1 0 263.341 2.432 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591147254 345224480 /nfs/dbraw/zinc/22/44/80/345224480.db2.gz CBROMJOTNRLEBB-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591264498 345235629 /nfs/dbraw/zinc/23/56/29/345235629.db2.gz NYFKCJDYHPDKFR-ZDUSSCGKSA-N 1 0 278.308 2.254 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C1CC1 ZINC000591307941 345238860 /nfs/dbraw/zinc/23/88/60/345238860.db2.gz BWFSXEQNQWBYGE-UHFFFAOYSA-N 1 0 292.339 2.031 20 5 CEBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591428407 345250989 /nfs/dbraw/zinc/25/09/89/345250989.db2.gz BJPPVIPLWBLMHP-MFKMUULPSA-N 1 0 286.335 2.317 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000591431135 345252246 /nfs/dbraw/zinc/25/22/46/345252246.db2.gz AVWJPEHLWOETTF-OLZOCXBDSA-N 1 0 298.346 2.474 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1sccc1[N+](=O)[O-] ZINC000591464232 345259857 /nfs/dbraw/zinc/25/98/57/345259857.db2.gz SUYWHGMDCATXRQ-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000591757323 345277660 /nfs/dbraw/zinc/27/76/60/345277660.db2.gz NUJUJBLFYRQSEC-SMDDNHRTSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000591757320 345277927 /nfs/dbraw/zinc/27/79/27/345277927.db2.gz NUJUJBLFYRQSEC-BXUZGUMPSA-N 1 0 294.351 2.113 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccsc1[N+](=O)[O-] ZINC000591824081 345285455 /nfs/dbraw/zinc/28/54/55/345285455.db2.gz YITWXFOVPYLARQ-UHFFFAOYSA-N 1 0 257.359 2.434 20 5 CEBDRO Cc1c(Cc2nc([C@@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000592357011 345345154 /nfs/dbraw/zinc/34/51/54/345345154.db2.gz MJNYQIPWUMUXIF-NSHDSACASA-N 1 0 288.307 2.302 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000592432384 345352775 /nfs/dbraw/zinc/35/27/75/345352775.db2.gz GMOIGBODMGECOV-HZMBPMFUSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH3+])CC1 ZINC000592484936 345359414 /nfs/dbraw/zinc/35/94/14/345359414.db2.gz JQWWKUYEZRRVAL-NSHDSACASA-N 1 0 263.341 2.469 20 5 CEBDRO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489505 345359515 /nfs/dbraw/zinc/35/95/15/345359515.db2.gz YCWVBEORJPVNFC-STQMWFEESA-N 1 0 293.367 2.033 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCC(C)(C)C ZINC000592144305 345328602 /nfs/dbraw/zinc/32/86/02/345328602.db2.gz HQZKJIRUVXNFJT-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CCF ZINC000593685095 345520727 /nfs/dbraw/zinc/52/07/27/345520727.db2.gz FFYGJNQTJOSMIK-LWMSPQMPSA-N 1 0 282.315 2.308 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719501 345527380 /nfs/dbraw/zinc/52/73/80/345527380.db2.gz YZSQTJYVHXNJAB-CMPLNLGQSA-N 1 0 270.304 2.274 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCOC1 ZINC000594502062 345638921 /nfs/dbraw/zinc/63/89/21/345638921.db2.gz CJSOCLMQWWBXMA-MFKMUULPSA-N 1 0 262.309 2.208 20 5 CEBDRO C[NH2+]C(C)(C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594651831 345667176 /nfs/dbraw/zinc/66/71/76/345667176.db2.gz ICUYEJVEKQPLIS-UHFFFAOYSA-N 1 0 295.730 2.283 20 5 CEBDRO Cc1ccc(CNC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594514655 345641695 /nfs/dbraw/zinc/64/16/95/345641695.db2.gz YPNRNNGWOWGDRE-UHFFFAOYSA-N 1 0 263.341 2.085 20 5 CEBDRO CC[C@H](C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594717932 345677728 /nfs/dbraw/zinc/67/77/28/345677728.db2.gz IGDKPMYZRVDKJI-GXTWGEPZSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000602580139 347087182 /nfs/dbraw/zinc/08/71/82/347087182.db2.gz WLDFJWWEOFKHMK-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000595066855 345738844 /nfs/dbraw/zinc/73/88/44/345738844.db2.gz FOIZDEAIMBWDFX-UFFNRZRYSA-N 1 0 250.298 2.102 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595106153 345742872 /nfs/dbraw/zinc/74/28/72/345742872.db2.gz JXCXFVKZBWGQPN-YUTCNCBUSA-N 1 0 262.309 2.349 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595110251 345743226 /nfs/dbraw/zinc/74/32/26/345743226.db2.gz ZQIAPDLUOGDGHP-WQAKAFBOSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917036 345700677 /nfs/dbraw/zinc/70/06/77/345700677.db2.gz FYIKOZGVMALAHV-NEPJUHHUSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920960 345702557 /nfs/dbraw/zinc/70/25/57/345702557.db2.gz NHOHMCDOKAQAHL-YPMHNXCESA-N 1 0 280.324 2.261 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950985 345714727 /nfs/dbraw/zinc/71/47/27/345714727.db2.gz LQZICFUELVKVRY-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594971171 345719557 /nfs/dbraw/zinc/71/95/57/345719557.db2.gz XLNSKMZAYUDZDC-LLVKDONJSA-N 1 0 272.251 2.109 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000594973050 345720271 /nfs/dbraw/zinc/72/02/71/345720271.db2.gz CBULEAQGLXSBBU-ARJAWSKDSA-N 1 0 264.325 2.356 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[NH+](C)C ZINC000595006137 345724536 /nfs/dbraw/zinc/72/45/36/345724536.db2.gz HZPXNWPFXYNSHL-NSHDSACASA-N 1 0 281.356 2.206 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006932 345725189 /nfs/dbraw/zinc/72/51/89/345725189.db2.gz MXSWBEDTMFFOFT-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO COCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009660 345726222 /nfs/dbraw/zinc/72/62/22/345726222.db2.gz ZEEPQRGVXPHYDP-SNVBAGLBSA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCCO ZINC000595022264 345729509 /nfs/dbraw/zinc/72/95/09/345729509.db2.gz TTYPEGGJWTYELJ-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O ZINC000595041484 345733264 /nfs/dbraw/zinc/73/32/64/345733264.db2.gz MCWVZNRJPYGCAL-BREBYQMCSA-N 1 0 282.340 2.413 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C/CO)CCC2 ZINC000595066080 345737838 /nfs/dbraw/zinc/73/78/38/345737838.db2.gz BUOLAALJYXZRCX-YUKKFKLSSA-N 1 0 262.309 2.110 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064678 345738231 /nfs/dbraw/zinc/73/82/31/345738231.db2.gz AFEBXJBICZPYSZ-GHMZBOCLSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C/C=C\CO)cccc1[N+](=O)[O-] ZINC000595067636 345738551 /nfs/dbraw/zinc/73/85/51/345738551.db2.gz HGLZMFKUEBQEFD-BYCRGOAPSA-N 1 0 250.298 2.102 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388989 345772238 /nfs/dbraw/zinc/77/22/38/345772238.db2.gz JXYHUTFMQCJPCQ-NWDGAFQWSA-N 1 0 295.339 2.140 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510891 345800094 /nfs/dbraw/zinc/80/00/94/345800094.db2.gz DPUSTUUUINIDPA-ZWKOPEQDSA-N 1 0 295.339 2.184 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757376 345868457 /nfs/dbraw/zinc/86/84/57/345868457.db2.gz JENHJYGREWHHHS-RISCZKNCSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757998 345869300 /nfs/dbraw/zinc/86/93/00/345869300.db2.gz LSHBRTNVSHLSGF-SWLSCSKDSA-N 1 0 292.335 2.072 20 5 CEBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596055542 345929010 /nfs/dbraw/zinc/92/90/10/345929010.db2.gz WTEURDRPZRDROZ-UHFFFAOYSA-N 1 0 294.355 2.372 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NCc1onc(C)c1[N+](=O)[O-] ZINC000595872312 345903200 /nfs/dbraw/zinc/90/32/00/345903200.db2.gz VGYYYXOZIOZCQT-UHFFFAOYSA-N 1 0 284.360 2.101 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595932624 345915045 /nfs/dbraw/zinc/91/50/45/345915045.db2.gz BJDLIZMBKFAETD-UHFFFAOYSA-N 1 0 293.367 2.068 20 5 CEBDRO Cc1cc(NCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596059544 345930511 /nfs/dbraw/zinc/93/05/11/345930511.db2.gz PVNRVZYOEVWVPR-UHFFFAOYSA-N 1 0 255.343 2.472 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000595951272 345917613 /nfs/dbraw/zinc/91/76/13/345917613.db2.gz PEPNKVIABCBMSG-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCCF)C1CC1 ZINC000596093608 345938599 /nfs/dbraw/zinc/93/85/99/345938599.db2.gz HMQPOSBRWBSSDR-CQSZACIVSA-N 1 0 296.342 2.492 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596106831 345941291 /nfs/dbraw/zinc/94/12/91/345941291.db2.gz HPTSLNFCLANDIB-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596121077 345944518 /nfs/dbraw/zinc/94/45/18/345944518.db2.gz JXRAGGCBYIEQGG-JTQLQIEISA-N 1 0 285.369 2.097 20 5 CEBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000596248404 345979950 /nfs/dbraw/zinc/97/99/50/345979950.db2.gz WYHPBVOMNFWSQT-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596194506 345966464 /nfs/dbraw/zinc/96/64/64/345966464.db2.gz MRLZVIZOQLNAKT-UHFFFAOYSA-N 1 0 269.370 2.495 20 5 CEBDRO C[NH+](C)CCC[C@H]1CN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000596566318 346056561 /nfs/dbraw/zinc/05/65/61/346056561.db2.gz IQGFBDOCUGRCAH-NSHDSACASA-N 1 0 299.396 2.203 20 5 CEBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596454362 346027864 /nfs/dbraw/zinc/02/78/64/346027864.db2.gz SSCWWALNVBHRQZ-VIFPVBQESA-N 1 0 298.318 2.196 20 5 CEBDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000596501802 346040307 /nfs/dbraw/zinc/04/03/07/346040307.db2.gz OYJWTUHFQIHXTC-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596626464 346067713 /nfs/dbraw/zinc/06/77/13/346067713.db2.gz NTRIXKCIZGFYKW-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654009 346072844 /nfs/dbraw/zinc/07/28/44/346072844.db2.gz NJMRREUFFALWLC-ONGXEEELSA-N 1 0 251.330 2.162 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053092 346121073 /nfs/dbraw/zinc/12/10/73/346121073.db2.gz PCBWWRLSSFXNKP-IUODEOHRSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597055259 346121510 /nfs/dbraw/zinc/12/15/10/346121510.db2.gz FHWDZTYISAVNLN-UKRRQHHQSA-N 1 0 276.336 2.294 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597223404 346153820 /nfs/dbraw/zinc/15/38/20/346153820.db2.gz NOVPNJHNGWUAMF-GHMZBOCLSA-N 1 0 292.335 2.454 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000273276959 192097890 /nfs/dbraw/zinc/09/78/90/192097890.db2.gz HPVNZTDKXOQLIB-LMMOQWNQSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[NH+](C)C ZINC000597669926 346213847 /nfs/dbraw/zinc/21/38/47/346213847.db2.gz XBDSWHZEZWEQOC-JTQLQIEISA-N 1 0 265.313 2.100 20 5 CEBDRO C[C@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597993998 346264926 /nfs/dbraw/zinc/26/49/26/346264926.db2.gz WWUFUDXLNSQYOX-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075653 362704994 /nfs/dbraw/zinc/70/49/94/362704994.db2.gz XSFDTIJTQOZJQD-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649147 346393130 /nfs/dbraw/zinc/39/31/30/346393130.db2.gz WPUSZKJMHNKURK-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598917058 346433907 /nfs/dbraw/zinc/43/39/07/346433907.db2.gz UBFLADIAPNIPQY-UHFFFAOYSA-N 1 0 298.730 2.203 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598992260 346443339 /nfs/dbraw/zinc/44/33/39/346443339.db2.gz ZIDMKZUYNIKNKS-CYBMUJFWSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CC=CC1)OCCO2 ZINC000598992477 346443492 /nfs/dbraw/zinc/44/34/92/346443492.db2.gz PHVYHJAVYMJHLD-UHFFFAOYSA-N 1 0 290.319 2.422 20 5 CEBDRO C/C=C\C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599081412 346457153 /nfs/dbraw/zinc/45/71/53/346457153.db2.gz KKPPSDLNQPAQFY-DLRQAJBASA-N 1 0 277.324 2.478 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000602597264 347093937 /nfs/dbraw/zinc/09/39/37/347093937.db2.gz AKYPONHGDWYWQM-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191408 362755290 /nfs/dbraw/zinc/75/52/90/362755290.db2.gz UZWYTUKFQFXPGE-SMDDNHRTSA-N 1 0 263.341 2.297 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000599624004 346547684 /nfs/dbraw/zinc/54/76/84/346547684.db2.gz JCBALUGGYIXMRZ-ZAZJYDDPSA-N 1 0 294.351 2.375 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000600715058 346676540 /nfs/dbraw/zinc/67/65/40/346676540.db2.gz XNICHNXOWVIFNT-COLVAYQJSA-N 1 0 275.352 2.312 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000600787269 346689980 /nfs/dbraw/zinc/68/99/80/346689980.db2.gz YPEQXTVESIVLER-UHFFFAOYSA-N 1 0 284.319 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)cn1 ZINC000600790256 346690761 /nfs/dbraw/zinc/69/07/61/346690761.db2.gz ZVEGMQDLOLIZSQ-AWEZNQCLSA-N 1 0 285.303 2.318 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CCC([NH2+]C2CC2)CC1 ZINC000601132153 346764080 /nfs/dbraw/zinc/76/40/80/346764080.db2.gz WYBWTZWFMPGVQH-UHFFFAOYSA-N 1 0 267.354 2.377 20 5 CEBDRO CC(C)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148401 346769845 /nfs/dbraw/zinc/76/98/45/346769845.db2.gz BIEJREGDJFTNAZ-CYBMUJFWSA-N 1 0 252.314 2.048 20 5 CEBDRO CC(C)[C@H](CO)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601163881 346774528 /nfs/dbraw/zinc/77/45/28/346774528.db2.gz SBSAQNJEOFOBOM-NSHDSACASA-N 1 0 289.335 2.241 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236902210 370650448 /nfs/dbraw/zinc/65/04/48/370650448.db2.gz RJEGIFBLXKWDTE-JQWIXIFHSA-N 1 0 279.340 2.208 20 5 CEBDRO COCC(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000336813597 365853801 /nfs/dbraw/zinc/85/38/01/365853801.db2.gz VBBGXYXZPBNCTO-UHFFFAOYSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601104597 346753539 /nfs/dbraw/zinc/75/35/39/346753539.db2.gz AZXUXSUTJFFCAD-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601192746 346782571 /nfs/dbraw/zinc/78/25/71/346782571.db2.gz ZWRPTQUJPSDLME-SNVBAGLBSA-N 1 0 282.319 2.414 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCC[C@H]3CCO3)nc2c1 ZINC000602637188 347116975 /nfs/dbraw/zinc/11/69/75/347116975.db2.gz MKVYHNQSZQXKFV-NSHDSACASA-N 1 0 290.323 2.130 20 5 CEBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602646470 347122226 /nfs/dbraw/zinc/12/22/26/347122226.db2.gz ZDRRYTVYDPXIDG-LLVKDONJSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705483 347160198 /nfs/dbraw/zinc/16/01/98/347160198.db2.gz GNOSLCOMMGRHSY-GXFFZTMASA-N 1 0 287.323 2.024 20 5 CEBDRO COCC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCC1 ZINC000602658200 347127466 /nfs/dbraw/zinc/12/74/66/347127466.db2.gz DODNMZWSQKDXGT-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(=O)[nH]c1 ZINC000602658112 347127792 /nfs/dbraw/zinc/12/77/92/347127792.db2.gz JIEWOFRVESMMGU-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1CCC1 ZINC000602794972 347201719 /nfs/dbraw/zinc/20/17/19/347201719.db2.gz QFNIZMAWECPDGP-UHFFFAOYSA-N 1 0 266.345 2.363 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802047 347205334 /nfs/dbraw/zinc/20/53/34/347205334.db2.gz OLDDZYCZLJZUAU-MFKMUULPSA-N 1 0 287.323 2.024 20 5 CEBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814424 347210959 /nfs/dbraw/zinc/21/09/59/347210959.db2.gz ARDHKQNBTPQUGJ-OLZOCXBDSA-N 1 0 296.371 2.012 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1CCCC1 ZINC000602764709 347188658 /nfs/dbraw/zinc/18/86/58/347188658.db2.gz GUQJNPQGFAGDIP-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO COCCCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965620 347258482 /nfs/dbraw/zinc/25/84/82/347258482.db2.gz KBXPGFYFZXZELD-HNNXBMFYSA-N 1 0 296.367 2.209 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000603396889 347358188 /nfs/dbraw/zinc/35/81/88/347358188.db2.gz AWALGDSCSOOECK-MNOVXSKESA-N 1 0 295.387 2.260 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223300 347314196 /nfs/dbraw/zinc/31/41/96/347314196.db2.gz IFMDCNAXVSWSOP-LLVKDONJSA-N 1 0 293.302 2.174 20 5 CEBDRO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCCCC1 ZINC000603843023 347391061 /nfs/dbraw/zinc/39/10/61/347391061.db2.gz PYLLDXWUMMHMFL-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000603859540 347392787 /nfs/dbraw/zinc/39/27/87/347392787.db2.gz ANBZKXWYMSNNRP-TXEJJXNPSA-N 1 0 295.387 2.108 20 5 CEBDRO CC[NH+](CC)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129751357 365892056 /nfs/dbraw/zinc/89/20/56/365892056.db2.gz JYQXIPNATMFYLK-UHFFFAOYSA-N 1 0 272.736 2.397 20 5 CEBDRO C[NH+](C)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351850221 219225642 /nfs/dbraw/zinc/22/56/42/219225642.db2.gz GMGNUQZFFZUBRO-UHFFFAOYSA-N 1 0 299.321 2.399 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000608982478 347624914 /nfs/dbraw/zinc/62/49/14/347624914.db2.gz MYSPZHBXUIEUJG-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000610485002 347684529 /nfs/dbraw/zinc/68/45/29/347684529.db2.gz FPIYCPGLHLAMBA-UHFFFAOYSA-N 1 0 280.250 2.066 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000610511322 347687372 /nfs/dbraw/zinc/68/73/72/347687372.db2.gz FZHIJKZEUIQCDU-UHFFFAOYSA-N 1 0 293.371 2.147 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538832 347690238 /nfs/dbraw/zinc/69/02/38/347690238.db2.gz GUOZHSFWUYTPHZ-STQMWFEESA-N 1 0 294.351 2.299 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585251 347693963 /nfs/dbraw/zinc/69/39/63/347693963.db2.gz HNMKCNDODRXQJD-NWDGAFQWSA-N 1 0 262.309 2.458 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336837372 365908655 /nfs/dbraw/zinc/90/86/55/365908655.db2.gz YWNCTPXHWVMPMS-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000611298930 347764894 /nfs/dbraw/zinc/76/48/94/347764894.db2.gz CAZDFYBRJCPPLG-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCOCC3(CC3)C2)c(F)c1 ZINC000611813268 347818834 /nfs/dbraw/zinc/81/88/34/347818834.db2.gz RMSORNBFDYZPPX-UHFFFAOYSA-N 1 0 280.299 2.346 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498305 347786528 /nfs/dbraw/zinc/78/65/28/347786528.db2.gz AVCYTFNTLYMWHF-LLVKDONJSA-N 1 0 281.331 2.165 20 5 CEBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611520892 347790246 /nfs/dbraw/zinc/79/02/46/347790246.db2.gz UKXVCZNRYUIWPN-SNVBAGLBSA-N 1 0 290.323 2.356 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC1CC1 ZINC000612580823 347903893 /nfs/dbraw/zinc/90/38/93/347903893.db2.gz UQLISRIPMLDBOS-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356806601 232934709 /nfs/dbraw/zinc/93/47/09/232934709.db2.gz NGQSZTINVPMADQ-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCC(C)CC1 ZINC000067273454 362905317 /nfs/dbraw/zinc/90/53/17/362905317.db2.gz RVAHVCFVVRDSBO-NSHDSACASA-N 1 0 295.339 2.038 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351971097 219270471 /nfs/dbraw/zinc/27/04/71/219270471.db2.gz OPFCOXJHDGNWPN-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087519554 179439758 /nfs/dbraw/zinc/43/97/58/179439758.db2.gz RRDKBLNSLVPGNP-NSHDSACASA-N 1 0 265.313 2.073 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)CO)cc1[N+](=O)[O-] ZINC000271142685 190962391 /nfs/dbraw/zinc/96/23/91/190962391.db2.gz OQNUWHDRGPRSSD-ZYHUDNBSSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000619783605 349236340 /nfs/dbraw/zinc/23/63/40/349236340.db2.gz USWOERIWYSYCKZ-SECBINFHSA-N 1 0 266.326 2.204 20 5 CEBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720517 180030076 /nfs/dbraw/zinc/03/00/76/180030076.db2.gz PPUVXBIOLHYDPG-WCQYABFASA-N 1 0 263.341 2.167 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCC(C)CC1 ZINC000091554551 180189824 /nfs/dbraw/zinc/18/98/24/180189824.db2.gz CXPNNHKGVYLMKI-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000105480633 186059283 /nfs/dbraw/zinc/05/92/83/186059283.db2.gz MWVNKGJQDDBWAQ-RISCZKNCSA-N 1 0 263.341 2.025 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186268 219351278 /nfs/dbraw/zinc/35/12/78/219351278.db2.gz KNNMDMCLUPCHKI-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000092392608 180376067 /nfs/dbraw/zinc/37/60/67/180376067.db2.gz YBLKFIFQHDZSPX-GFCCVEGCSA-N 1 0 272.732 2.355 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107690861 186186201 /nfs/dbraw/zinc/18/62/01/186186201.db2.gz VMNGEUYMAOSMPQ-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO CCC(CC)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109130246 186244384 /nfs/dbraw/zinc/24/43/84/186244384.db2.gz QZWRDZDHJRMTGE-CQSZACIVSA-N 1 0 291.351 2.478 20 5 CEBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[NH3+] ZINC000109504608 186257632 /nfs/dbraw/zinc/25/76/32/186257632.db2.gz NOVIJSCDXMWDAU-SFYZADRCSA-N 1 0 262.269 2.096 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000110490158 186299494 /nfs/dbraw/zinc/29/94/94/186299494.db2.gz VYZUTRMEMPFTCZ-VXGBXAGGSA-N 1 0 295.314 2.009 20 5 CEBDRO COc1cc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111048651 186348713 /nfs/dbraw/zinc/34/87/13/186348713.db2.gz YHTQUOHKSIRHAR-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000111158496 186362451 /nfs/dbraw/zinc/36/24/51/186362451.db2.gz CZCVJKWBGVOHSG-NWDGAFQWSA-N 1 0 281.381 2.373 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111831576 186461988 /nfs/dbraw/zinc/46/19/88/186461988.db2.gz LSTMTHGOYCRQME-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074625 363027122 /nfs/dbraw/zinc/02/71/22/363027122.db2.gz WFWVRLNJSVWLIS-TZMCWYRMSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000070078107 363030049 /nfs/dbraw/zinc/03/00/49/363030049.db2.gz NEUPAVLKBYAOKD-PHIMTYICSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000070078108 363030592 /nfs/dbraw/zinc/03/05/92/363030592.db2.gz NEUPAVLKBYAOKD-GHMZBOCLSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070170087 363043826 /nfs/dbraw/zinc/04/38/26/363043826.db2.gz YUNPUMCCUPEWFZ-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070172026 363044811 /nfs/dbraw/zinc/04/48/11/363044811.db2.gz OSNDMKGJFCVDQA-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171983 363045461 /nfs/dbraw/zinc/04/54/61/363045461.db2.gz WMOHZRSPFXHXFI-ONGXEEELSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359540 363075686 /nfs/dbraw/zinc/07/56/86/363075686.db2.gz VGDZWGAGDFCHMD-YPMHNXCESA-N 1 0 264.325 2.294 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122394751 187030414 /nfs/dbraw/zinc/03/04/14/187030414.db2.gz ALVPSIFSKPXPOF-AAEUAGOBSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000291871922 198091676 /nfs/dbraw/zinc/09/16/76/198091676.db2.gz NQKSIFBMWUHPOO-MRVPVSSYSA-N 1 0 272.736 2.253 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000122656295 187044425 /nfs/dbraw/zinc/04/44/25/187044425.db2.gz WWSUHCHUPPZPJT-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132021735 187602781 /nfs/dbraw/zinc/60/27/81/187602781.db2.gz MTOGWPZDQAWYSC-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132021553 187603214 /nfs/dbraw/zinc/60/32/14/187603214.db2.gz MTOGWPZDQAWYSC-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000493968752 290949838 /nfs/dbraw/zinc/94/98/38/290949838.db2.gz LLZPGVQYLFATTJ-SECBINFHSA-N 1 0 298.318 2.053 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072869476 363174166 /nfs/dbraw/zinc/17/41/66/363174166.db2.gz JTPZHLCAAKDTPL-VXGBXAGGSA-N 1 0 291.351 2.430 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494238304 290963847 /nfs/dbraw/zinc/96/38/47/290963847.db2.gz PXVZHEGYQGGQCV-RNCFNFMXSA-N 1 0 268.288 2.391 20 5 CEBDRO CO[C@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292235767 198212067 /nfs/dbraw/zinc/21/20/67/198212067.db2.gz WFSYHHVXZSTMFX-SNVBAGLBSA-N 1 0 252.314 2.454 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000152432916 188018381 /nfs/dbraw/zinc/01/83/81/188018381.db2.gz OIAZSZPBUSTOGH-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000152652748 188034942 /nfs/dbraw/zinc/03/49/42/188034942.db2.gz WRBLERNRVNJKRS-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000153875360 188109305 /nfs/dbraw/zinc/10/93/05/188109305.db2.gz QEFFCCLIEJIJSG-WDEREUQCSA-N 1 0 296.758 2.316 20 5 CEBDRO C[N@H+](CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000157741940 188336035 /nfs/dbraw/zinc/33/60/35/188336035.db2.gz FGTFTYCXHVYHFS-UHFFFAOYSA-N 1 0 276.292 2.279 20 5 CEBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337231662 366093887 /nfs/dbraw/zinc/09/38/87/366093887.db2.gz XJBITOIGFJHFSL-ZJUUUORDSA-N 1 0 268.288 2.249 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451553434 283032893 /nfs/dbraw/zinc/03/28/93/283032893.db2.gz YQSSFYCTWUQNJI-WFASDCNBSA-N 1 0 294.351 2.330 20 5 CEBDRO COc1cc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563666 283036490 /nfs/dbraw/zinc/03/64/90/283036490.db2.gz JYMJCNZJJRNIEI-FZMZJTMJSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133524039 366232908 /nfs/dbraw/zinc/23/29/08/366232908.db2.gz QMYNBBRDOADCAI-VHSXEESVSA-N 1 0 262.313 2.027 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452001069 283158888 /nfs/dbraw/zinc/15/88/88/283158888.db2.gz CJKGGMBJRYWZKB-SNVBAGLBSA-N 1 0 291.351 2.457 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452013810 283160980 /nfs/dbraw/zinc/16/09/80/283160980.db2.gz TWYXKYZBLTUGJD-SECBINFHSA-N 1 0 252.318 2.091 20 5 CEBDRO C[NH+]1CCC(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000133905175 366266157 /nfs/dbraw/zinc/26/61/57/366266157.db2.gz SWKFFCSCBHQNFI-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1nn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000575430786 366285553 /nfs/dbraw/zinc/28/55/53/366285553.db2.gz KBTIOUBMNWEART-QWRGUYRKSA-N 1 0 266.345 2.078 20 5 CEBDRO Cc1nccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338350928 366311036 /nfs/dbraw/zinc/31/10/36/366311036.db2.gz QONXBFMWSTZHQQ-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000134590043 366343991 /nfs/dbraw/zinc/34/39/91/366343991.db2.gz PWIBNHSERDOHQG-GFCCVEGCSA-N 1 0 291.351 2.004 20 5 CEBDRO COc1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928237 366375841 /nfs/dbraw/zinc/37/58/41/366375841.db2.gz DZFZVQPTMAAKPZ-GHMZBOCLSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469291 199052322 /nfs/dbraw/zinc/05/23/22/199052322.db2.gz WNPJUXUVUKPBBX-ONGXEEELSA-N 1 0 265.313 2.007 20 5 CEBDRO Cc1cccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000294724096 199152865 /nfs/dbraw/zinc/15/28/65/199152865.db2.gz BDOKCKYVIVNKBI-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465134 366444627 /nfs/dbraw/zinc/44/46/27/366444627.db2.gz HGQXBSHOIWBKND-MFKMUULPSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000415504845 236676874 /nfs/dbraw/zinc/67/68/74/236676874.db2.gz PQNWRJQDJMZCLF-NOZJJQNGSA-N 1 0 292.339 2.023 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000338766281 366510686 /nfs/dbraw/zinc/51/06/86/366510686.db2.gz MLAPVSXMQKECCP-UHFFFAOYSA-N 1 0 285.369 2.116 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418239096 237377139 /nfs/dbraw/zinc/37/71/39/237377139.db2.gz YFRBNWAWZUOMTL-MNOVXSKESA-N 1 0 294.355 2.082 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341714530 216076239 /nfs/dbraw/zinc/07/62/39/216076239.db2.gz UGTJAZHYJKBQQO-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@@H]1CC[NH2+]C1 ZINC000149425545 366588868 /nfs/dbraw/zinc/58/88/68/366588868.db2.gz VXXSCNFHDZPEQD-QMMMGPOBSA-N 1 0 270.720 2.055 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@H]1CC[NH2+]C1 ZINC000149425699 366589097 /nfs/dbraw/zinc/58/90/97/366589097.db2.gz VXXSCNFHDZPEQD-MRVPVSSYSA-N 1 0 270.720 2.055 20 5 CEBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000297766318 200277840 /nfs/dbraw/zinc/27/78/40/200277840.db2.gz FUJBJOTXRUYJEA-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181402 363704231 /nfs/dbraw/zinc/70/42/31/363704231.db2.gz ZGQCPAVBEMFPRM-RISCZKNCSA-N 1 0 291.351 2.255 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000571269327 299302130 /nfs/dbraw/zinc/30/21/30/299302130.db2.gz MJYROLJZOVQKOM-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123418741 283510172 /nfs/dbraw/zinc/51/01/72/283510172.db2.gz NOGXZJHGRMAYRM-LLVKDONJSA-N 1 0 269.732 2.171 20 5 CEBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000177434668 189051139 /nfs/dbraw/zinc/05/11/39/189051139.db2.gz DGTFHVMXCKONDC-OAHLLOKOSA-N 1 0 292.335 2.288 20 5 CEBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000342047775 216199887 /nfs/dbraw/zinc/19/98/87/216199887.db2.gz XKHRCXNRMMJRTH-LBPRGKRZSA-N 1 0 267.304 2.486 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000571641020 299320542 /nfs/dbraw/zinc/32/05/42/299320542.db2.gz YFDKHIDZBCDAHV-NVDWLVSRSA-N 1 0 288.307 2.299 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446578 189255994 /nfs/dbraw/zinc/25/59/94/189255994.db2.gz OBICHUPJTQZZFM-MNOVXSKESA-N 1 0 278.308 2.199 20 5 CEBDRO CC(C)[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000579826002 366709117 /nfs/dbraw/zinc/70/91/17/366709117.db2.gz YVDGBWMVKNMWFH-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1O ZINC000342299232 216299595 /nfs/dbraw/zinc/29/95/95/216299595.db2.gz LKYBPSUQJGYYSQ-NXEZZACHSA-N 1 0 284.287 2.289 20 5 CEBDRO C[C@@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000342362425 216324795 /nfs/dbraw/zinc/32/47/95/216324795.db2.gz SZJDTFAGJCESNR-ZWNOBZJWSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C[NH+](C)C ZINC000581604500 366799901 /nfs/dbraw/zinc/79/99/01/366799901.db2.gz LDQCFZIMYJYVAY-NSHDSACASA-N 1 0 292.383 2.478 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061718 363794911 /nfs/dbraw/zinc/79/49/11/363794911.db2.gz KQMFSVCZSYHIHA-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO CCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991606 361604488 /nfs/dbraw/zinc/60/44/88/361604488.db2.gz CPLREHMCCWOAGH-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO Cc1ccnc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302155150 201370806 /nfs/dbraw/zinc/37/08/06/201370806.db2.gz NFBVANUVEOQHOR-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO C[NH+](C)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439701 363810077 /nfs/dbraw/zinc/81/00/77/363810077.db2.gz YCYMQJKNELZLET-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000088147795 363878878 /nfs/dbraw/zinc/87/88/78/363878878.db2.gz NKTPMQHRYKBGOY-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093983427 364244678 /nfs/dbraw/zinc/24/46/78/364244678.db2.gz HPNMGTXKCKCCBV-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1c(C[NH2+]CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000094722128 364291130 /nfs/dbraw/zinc/29/11/30/364291130.db2.gz FAYFNBYUXPHJOB-UHFFFAOYSA-N 1 0 250.298 2.029 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[NH+]3CCCCC3)nc2c1 ZINC000094771829 364294045 /nfs/dbraw/zinc/29/40/45/364294045.db2.gz IUUGXCVEJDBZTE-UHFFFAOYSA-N 1 0 289.339 2.369 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094941724 364309410 /nfs/dbraw/zinc/30/94/10/364309410.db2.gz FFRUQMQDUOWWFY-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942060 364309769 /nfs/dbraw/zinc/30/97/69/364309769.db2.gz KPRNKAUPBLXSPJ-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1sc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000103117863 364627908 /nfs/dbraw/zinc/62/79/08/364627908.db2.gz NMYBJXZCXKNNFB-UHFFFAOYSA-N 1 0 297.380 2.133 20 5 CEBDRO Cc1cccc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000103118368 364628075 /nfs/dbraw/zinc/62/80/75/364628075.db2.gz XVAYNVDEFXGQAQ-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CCOc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000111045325 364725291 /nfs/dbraw/zinc/72/52/91/364725291.db2.gz GCNZJXLVZUYASJ-PHIMTYICSA-N 1 0 279.340 2.180 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112335744 364792652 /nfs/dbraw/zinc/79/26/52/364792652.db2.gz AAHDAGRXUSYFHI-WDEREUQCSA-N 1 0 262.313 2.029 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000113199062 364874428 /nfs/dbraw/zinc/87/44/28/364874428.db2.gz JILGCNARXCREJZ-LLVKDONJSA-N 1 0 295.339 2.182 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655264 364908289 /nfs/dbraw/zinc/90/82/89/364908289.db2.gz DXDHHFXNYVHXDQ-WCQYABFASA-N 1 0 263.341 2.154 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275376445 193013161 /nfs/dbraw/zinc/01/31/61/193013161.db2.gz ABGVKAFSHXHWKZ-ZDUSSCGKSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000119695174 365311920 /nfs/dbraw/zinc/31/19/20/365311920.db2.gz YHZSUXNNQGFBMC-LLVKDONJSA-N 1 0 291.351 2.316 20 5 CEBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[NH2+]1 ZINC000584520292 367167745 /nfs/dbraw/zinc/16/77/45/367167745.db2.gz NVWAGKJCTJUFRA-QWRGUYRKSA-N 1 0 286.335 2.330 20 5 CEBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864158 367197409 /nfs/dbraw/zinc/19/74/09/367197409.db2.gz QXNZPQOZKVCYQA-NXEZZACHSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000162912079 367203258 /nfs/dbraw/zinc/20/32/58/367203258.db2.gz UQMGGMNSXKIGOS-UWVGGRQHSA-N 1 0 291.307 2.251 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000162926102 367204734 /nfs/dbraw/zinc/20/47/34/367204734.db2.gz IXZLETYCECGREQ-LLVKDONJSA-N 1 0 297.330 2.290 20 5 CEBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166367855 367320749 /nfs/dbraw/zinc/32/07/49/367320749.db2.gz MAAJAZWLRHNHRD-SLEUVZQESA-N 1 0 294.351 2.439 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000171070772 367471070 /nfs/dbraw/zinc/47/10/70/367471070.db2.gz WZUZUQJUVKVYIV-LLVKDONJSA-N 1 0 292.339 2.071 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171301562 367519104 /nfs/dbraw/zinc/51/91/04/367519104.db2.gz RWQSAGONUXRLDT-LLVKDONJSA-N 1 0 292.335 2.368 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343275326 367739454 /nfs/dbraw/zinc/73/94/54/367739454.db2.gz TWPWIKNOLMCYBE-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC2)ccc2ncccc21 ZINC000343435742 367813891 /nfs/dbraw/zinc/81/38/91/367813891.db2.gz BPXLBJRJSTZMST-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343424476 367806832 /nfs/dbraw/zinc/80/68/32/367806832.db2.gz DOYGAIRPAGCIBI-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343542539 367873753 /nfs/dbraw/zinc/87/37/53/367873753.db2.gz YHDQBHBYSWWNCI-WPRPVWTQSA-N 1 0 297.380 2.177 20 5 CEBDRO Cc1ccnc(N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343473769 367835937 /nfs/dbraw/zinc/83/59/37/367835937.db2.gz LDCZBHIAQWMQFO-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000173395723 367906274 /nfs/dbraw/zinc/90/62/74/367906274.db2.gz PIMMKIQTNOAQQC-LLVKDONJSA-N 1 0 284.381 2.361 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434439 367910910 /nfs/dbraw/zinc/91/09/10/367910910.db2.gz VWXAZTKPCFETHT-OUJBWJOFSA-N 1 0 284.381 2.358 20 5 CEBDRO CCSCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473036 367913854 /nfs/dbraw/zinc/91/38/54/367913854.db2.gz SGVOSUQNUQGFPZ-LLVKDONJSA-N 1 0 296.396 2.229 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000343555747 367881100 /nfs/dbraw/zinc/88/11/00/367881100.db2.gz FOJCEYMWIXGORM-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345125 367899146 /nfs/dbraw/zinc/89/91/46/367899146.db2.gz CJFXJWQURPMQSZ-XCBNKYQSSA-N 1 0 278.230 2.169 20 5 CEBDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173380770 367903237 /nfs/dbraw/zinc/90/32/37/367903237.db2.gz AIEOGSGDWIDEKW-LLVKDONJSA-N 1 0 293.323 2.088 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000174651869 368053819 /nfs/dbraw/zinc/05/38/19/368053819.db2.gz SNOQOTTWQOIQEA-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344603030 368128927 /nfs/dbraw/zinc/12/89/27/368128927.db2.gz JPNBYEPKCLNXDI-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000176313080 368223885 /nfs/dbraw/zinc/22/38/85/368223885.db2.gz HYLFRHYTNNJPLC-CQSZACIVSA-N 1 0 280.299 2.346 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176230112 368214679 /nfs/dbraw/zinc/21/46/79/368214679.db2.gz CVZVHQGRJACXLR-GHMZBOCLSA-N 1 0 252.318 2.054 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345677577 368369778 /nfs/dbraw/zinc/36/97/78/368369778.db2.gz ZDYKNCLECBNDQY-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826340 368497540 /nfs/dbraw/zinc/49/75/40/368497540.db2.gz QYMCQIDJWBJYCS-NEPJUHHUSA-N 1 0 293.367 2.469 20 5 CEBDRO [NH3+][C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346093087 368542939 /nfs/dbraw/zinc/54/29/39/368542939.db2.gz MOLDNVCEIKLYLB-VUUYWXRKSA-N 1 0 261.325 2.031 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246117054 370910499 /nfs/dbraw/zinc/91/04/99/370910499.db2.gz KTTUIQQLDPOLFH-VXGBXAGGSA-N 1 0 296.396 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348161418 368927316 /nfs/dbraw/zinc/92/73/16/368927316.db2.gz NDDXXCWYESRASM-BXUZGUMPSA-N 1 0 294.351 2.244 20 5 CEBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348482413 369059465 /nfs/dbraw/zinc/05/94/65/369059465.db2.gz VZGPVMCKISZANP-ONGXEEELSA-N 1 0 284.385 2.092 20 5 CEBDRO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829590 369415522 /nfs/dbraw/zinc/41/55/22/369415522.db2.gz MUSVXZQXUOPJFS-HNNXBMFYSA-N 1 0 294.351 2.141 20 5 CEBDRO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896435 369442513 /nfs/dbraw/zinc/44/25/13/369442513.db2.gz QWTCYUWHDREADM-WFASDCNBSA-N 1 0 296.367 2.421 20 5 CEBDRO CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350003352 369481815 /nfs/dbraw/zinc/48/18/15/369481815.db2.gz AECIOVCGFUEXAM-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000189667071 369555326 /nfs/dbraw/zinc/55/53/26/369555326.db2.gz UNQZPGRLTOGNGR-LBPRGKRZSA-N 1 0 270.354 2.393 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191806415 369744933 /nfs/dbraw/zinc/74/49/33/369744933.db2.gz IYPXUUXOZSYKCB-AAEUAGOBSA-N 1 0 292.335 2.226 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352667900 369825985 /nfs/dbraw/zinc/82/59/85/369825985.db2.gz OBNZUQGNNATGJI-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630947 369965437 /nfs/dbraw/zinc/96/54/37/369965437.db2.gz YNCMPZIXSNVAPN-MCIONIFRSA-N 1 0 289.379 2.458 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000193281920 369916921 /nfs/dbraw/zinc/91/69/21/369916921.db2.gz JTUGSPHLOBGUSD-SNVBAGLBSA-N 1 0 279.340 2.074 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000221679524 370242944 /nfs/dbraw/zinc/24/29/44/370242944.db2.gz PUJPVEUNXSWHON-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958901 370274813 /nfs/dbraw/zinc/27/48/13/370274813.db2.gz AYXHLXCULMLOOG-ZFWWWQNUSA-N 1 0 296.367 2.423 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648167 370377825 /nfs/dbraw/zinc/37/78/25/370377825.db2.gz YYGPFXAPTFGHHF-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714856 370382068 /nfs/dbraw/zinc/38/20/68/370382068.db2.gz XTMPWJVJXBUPGX-ZIAGYGMSSA-N 1 0 282.340 2.297 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000354354087 370328418 /nfs/dbraw/zinc/32/84/18/370328418.db2.gz OQJPIEMZTYJFSH-RYUDHWBXSA-N 1 0 278.356 2.299 20 5 CEBDRO CC(=O)c1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000228261063 370400669 /nfs/dbraw/zinc/40/06/69/370400669.db2.gz MYWFKRHNIXVKEL-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230378361 370457593 /nfs/dbraw/zinc/45/75/93/370457593.db2.gz OJORUUKVZZCFNM-HNNXBMFYSA-N 1 0 278.352 2.374 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230690267 370465017 /nfs/dbraw/zinc/46/50/17/370465017.db2.gz FEBWHIKZAQHTRJ-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO CC[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233453775 370519324 /nfs/dbraw/zinc/51/93/24/370519324.db2.gz XYUPGWGVVLVDSV-UHFFFAOYSA-N 1 0 292.261 2.372 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398865 371049171 /nfs/dbraw/zinc/04/91/71/371049171.db2.gz JUGLYUPGAQABLU-GMXVVIOVSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331787475 204159740 /nfs/dbraw/zinc/15/97/40/204159740.db2.gz GAVDALJSGSQSNN-SWLSCSKDSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248369647 371181832 /nfs/dbraw/zinc/18/18/32/371181832.db2.gz WMXMVEULOGYVNE-IUODEOHRSA-N 1 0 286.335 2.484 20 5 CEBDRO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC(C)(C)C1 ZINC000344027253 217014495 /nfs/dbraw/zinc/01/44/95/217014495.db2.gz KTEFTTSVUSFCOH-SNVBAGLBSA-N 1 0 266.345 2.196 20 5 CEBDRO CO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251782597 371417401 /nfs/dbraw/zinc/41/74/01/371417401.db2.gz LLRPSOPMFQNOKM-IUODEOHRSA-N 1 0 294.351 2.330 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255029775 371550172 /nfs/dbraw/zinc/55/01/72/371550172.db2.gz NEZLCAPFXFFREJ-YFHOEESVSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000361336772 371791214 /nfs/dbraw/zinc/79/12/14/371791214.db2.gz OUMIZOGECRVCLA-JTQLQIEISA-N 1 0 254.334 2.196 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000361399887 371828698 /nfs/dbraw/zinc/82/86/98/371828698.db2.gz JZIHPVSNVGQERO-ZDUSSCGKSA-N 1 0 272.308 2.238 20 5 CEBDRO COC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000344066269 217034860 /nfs/dbraw/zinc/03/48/60/217034860.db2.gz PNUVIRCBBWVNSX-ZDUSSCGKSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362091018 372215308 /nfs/dbraw/zinc/21/53/08/372215308.db2.gz QZJPQHGGVRSAHT-ZJUUUORDSA-N 1 0 284.743 2.308 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268921126 372287946 /nfs/dbraw/zinc/28/79/46/372287946.db2.gz WTDOAGQFGSWITL-ONGXEEELSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000362447553 372365811 /nfs/dbraw/zinc/36/58/11/372365811.db2.gz LJAZNDROBYBGRE-RYUDHWBXSA-N 1 0 291.351 2.430 20 5 CEBDRO CC[C@H]1CN(CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665271 372479026 /nfs/dbraw/zinc/47/90/26/372479026.db2.gz OFUGVGUZGCXMBP-LBPRGKRZSA-N 1 0 279.340 2.118 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000344373677 217174171 /nfs/dbraw/zinc/17/41/71/217174171.db2.gz ICTVJIBXCFUJTR-CYBMUJFWSA-N 1 0 250.298 2.111 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269611261 372503749 /nfs/dbraw/zinc/50/37/49/372503749.db2.gz FJMLRAWNCXUYLT-VIFPVBQESA-N 1 0 285.294 2.403 20 5 CEBDRO COc1cc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364297829 372719210 /nfs/dbraw/zinc/71/92/10/372719210.db2.gz BJCJETGCZFVNFU-SMDDNHRTSA-N 1 0 291.351 2.134 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353506863 220125578 /nfs/dbraw/zinc/12/55/78/220125578.db2.gz FAVWXHBURGURQW-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000366244895 373013726 /nfs/dbraw/zinc/01/37/26/373013726.db2.gz GPXBILKUTVIRCG-ZDUSSCGKSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1nn(C)c(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000366505973 373074854 /nfs/dbraw/zinc/07/48/54/373074854.db2.gz MJFSPPZDJXDDMV-UHFFFAOYSA-N 1 0 293.371 2.066 20 5 CEBDRO C[Si](C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366745306 373119369 /nfs/dbraw/zinc/11/93/69/373119369.db2.gz MMCUAMMIAIVNOR-UHFFFAOYSA-N 1 0 282.420 2.306 20 5 CEBDRO CC(C)[C@H](O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000272080254 373294993 /nfs/dbraw/zinc/29/49/93/373294993.db2.gz QYXOMAPIJFXYKE-AWEZNQCLSA-N 1 0 278.352 2.482 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272097114 373303465 /nfs/dbraw/zinc/30/34/65/373303465.db2.gz KSVHGRCITBEHDA-NSHDSACASA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353589011 220176010 /nfs/dbraw/zinc/17/60/10/220176010.db2.gz FKHWSDCZVNRQLT-VGVVRCBHSA-N 1 0 275.352 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000370990106 373768307 /nfs/dbraw/zinc/76/83/07/373768307.db2.gz BPCGBOLJMYHJDA-HUUCEWRRSA-N 1 0 290.363 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000371401425 373870078 /nfs/dbraw/zinc/87/00/78/373870078.db2.gz OUGQBLVLGHTPCZ-DGCLKSJQSA-N 1 0 298.364 2.084 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274298122 373870720 /nfs/dbraw/zinc/87/07/20/373870720.db2.gz IUNOITNHSGJLAQ-SNVBAGLBSA-N 1 0 298.314 2.211 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000274443523 373925348 /nfs/dbraw/zinc/92/53/48/373925348.db2.gz HDVNETRFGAHAQT-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO COc1cc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000277119007 374407747 /nfs/dbraw/zinc/40/77/47/374407747.db2.gz NUIAMTVBALTAJK-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000373985392 374462429 /nfs/dbraw/zinc/46/24/29/374462429.db2.gz XLTPTVSUTWEMBX-HIFRSBDPSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374389310 374561111 /nfs/dbraw/zinc/56/11/11/374561111.db2.gz FRKLGEQGELRKND-KGLIPLIRSA-N 1 0 276.336 2.453 20 5 CEBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000378004468 374999172 /nfs/dbraw/zinc/99/91/72/374999172.db2.gz NKBNKBLVUSQATM-NNQSOWQGSA-N 1 0 276.336 2.473 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280028411 375067104 /nfs/dbraw/zinc/06/71/04/375067104.db2.gz KUVMYRICSKAVTQ-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000408464796 375487993 /nfs/dbraw/zinc/48/79/93/375487993.db2.gz FTUBZRASCVIVHY-NXEZZACHSA-N 1 0 282.319 2.048 20 5 CEBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000283649706 375739415 /nfs/dbraw/zinc/73/94/15/375739415.db2.gz WUMKECQPKSTTOO-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000414567172 375860944 /nfs/dbraw/zinc/86/09/44/375860944.db2.gz GJXLSBTXHBISSA-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000414659557 375905919 /nfs/dbraw/zinc/90/59/19/375905919.db2.gz NISOSHJCWRDTRU-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000414661765 375906547 /nfs/dbraw/zinc/90/65/47/375906547.db2.gz QCWVTQCMJFJWFY-SNVBAGLBSA-N 1 0 280.328 2.152 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000414716609 375938937 /nfs/dbraw/zinc/93/89/37/375938937.db2.gz XFAQPZAUEQXJGM-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415480168 376024459 /nfs/dbraw/zinc/02/44/59/376024459.db2.gz GWOYQDSKULLRJO-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCC2)c(F)c1 ZINC000289701641 376454130 /nfs/dbraw/zinc/45/41/30/376454130.db2.gz YATFMJLFSHYIKA-AWEZNQCLSA-N 1 0 282.315 2.375 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264107321 190091405 /nfs/dbraw/zinc/09/14/05/190091405.db2.gz PYYAWATYCZZRJP-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+](C)C ZINC000310137524 376614354 /nfs/dbraw/zinc/61/43/54/376614354.db2.gz CCUPXRKLMWMIGX-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[C@H]2CCC[NH2+]2)c1 ZINC000420241629 376650729 /nfs/dbraw/zinc/65/07/29/376650729.db2.gz SMTOHTABIZTZJV-GFCCVEGCSA-N 1 0 286.335 2.119 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](CC)C1CC1 ZINC000312621128 376721946 /nfs/dbraw/zinc/72/19/46/376721946.db2.gz WNCNJEUJBDBWDZ-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCC1 ZINC000313870620 376759578 /nfs/dbraw/zinc/75/95/78/376759578.db2.gz ZAJSFHGQCXCFOL-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420946965 376745627 /nfs/dbraw/zinc/74/56/27/376745627.db2.gz SRBNBTWYAFPLHE-VXGBXAGGSA-N 1 0 294.351 2.054 20 5 CEBDRO CC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000562340125 376870522 /nfs/dbraw/zinc/87/05/22/376870522.db2.gz BBEJDBYCCMMJEZ-LLVKDONJSA-N 1 0 276.340 2.276 20 5 CEBDRO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194463 377107276 /nfs/dbraw/zinc/10/72/76/377107276.db2.gz RNSAOKAOQDXEHK-AAEUAGOBSA-N 1 0 263.341 2.306 20 5 CEBDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267937 377186257 /nfs/dbraw/zinc/18/62/57/377186257.db2.gz UFJGDFSZPGDNLM-ZWNOBZJWSA-N 1 0 251.330 2.229 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292379053 377241255 /nfs/dbraw/zinc/24/12/55/377241255.db2.gz SPIJKDFYQMUQHS-LBPRGKRZSA-N 1 0 290.367 2.300 20 5 CEBDRO CC[C@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277198 377203280 /nfs/dbraw/zinc/20/32/80/377203280.db2.gz NWXCIPOWGAIPNS-KBPBESRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264891195 190142142 /nfs/dbraw/zinc/14/21/42/190142142.db2.gz JXDRBHLLQQEAPY-UHFFFAOYSA-N 1 0 291.307 2.023 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425524988 377364132 /nfs/dbraw/zinc/36/41/32/377364132.db2.gz FLAUTVXWKHZYEI-GOEBONIOSA-N 1 0 289.379 2.163 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292924923 377354806 /nfs/dbraw/zinc/35/48/06/377354806.db2.gz GNKIDEZUMJPVEC-SMDDNHRTSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884855 377460772 /nfs/dbraw/zinc/46/07/72/377460772.db2.gz JOSUVDBDQMJZDI-DGCLKSJQSA-N 1 0 286.335 2.457 20 5 CEBDRO CCOCC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293289664 377507453 /nfs/dbraw/zinc/50/74/53/377507453.db2.gz OSXCOGPUVGGOCC-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000574399470 299491866 /nfs/dbraw/zinc/49/18/66/299491866.db2.gz ACSVQZHPQDTGHL-RBSFLKMASA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000313097404 249382421 /nfs/dbraw/zinc/38/24/21/249382421.db2.gz DUJBIKWSCGZEGZ-YPMHNXCESA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH3+] ZINC000293698573 377706806 /nfs/dbraw/zinc/70/68/06/377706806.db2.gz PTPGPMURMRWQAQ-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@H]1C ZINC000443515067 378058878 /nfs/dbraw/zinc/05/88/78/378058878.db2.gz JDUGIPDOIHKPJX-ZJUUUORDSA-N 1 0 284.385 2.148 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC2)n1 ZINC000447536003 378113233 /nfs/dbraw/zinc/11/32/33/378113233.db2.gz KCNDOYSBQKZJKO-VXGBXAGGSA-N 1 0 264.329 2.275 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCC2)n1 ZINC000447579885 378120455 /nfs/dbraw/zinc/12/04/55/378120455.db2.gz MFDRQIMNKYXMCB-NWDGAFQWSA-N 1 0 264.329 2.417 20 5 CEBDRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295373545 378126553 /nfs/dbraw/zinc/12/65/53/378126553.db2.gz OXFRCGJKFXRRBJ-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295507728 378188512 /nfs/dbraw/zinc/18/85/12/378188512.db2.gz LGLHPYFADRLYPW-UHFFFAOYSA-N 1 0 281.360 2.227 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447903140 378157018 /nfs/dbraw/zinc/15/70/18/378157018.db2.gz GRWUVMZTXWYNKV-NILFDRSVSA-N 1 0 294.351 2.094 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733242 378282279 /nfs/dbraw/zinc/28/22/79/378282279.db2.gz MCMDHFOVLIPUJH-MNOVXSKESA-N 1 0 282.340 2.100 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000450357785 378374241 /nfs/dbraw/zinc/37/42/41/378374241.db2.gz NQSAYJCEYZHNDC-CYBMUJFWSA-N 1 0 290.367 2.302 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295987750 378382420 /nfs/dbraw/zinc/38/24/20/378382420.db2.gz PGOJRBYVJFWTHE-KGYLQXTDSA-N 1 0 250.298 2.159 20 5 CEBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450598439 378492673 /nfs/dbraw/zinc/49/26/73/378492673.db2.gz QNOPBLUPHYBAKO-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450795717 378583325 /nfs/dbraw/zinc/58/33/25/378583325.db2.gz RCMYSECLTNOYJX-RNCFNFMXSA-N 1 0 281.743 2.389 20 5 CEBDRO COC[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296628344 378597864 /nfs/dbraw/zinc/59/78/64/378597864.db2.gz HQENYUCQFMNCKJ-OAHLLOKOSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000298483838 378740500 /nfs/dbraw/zinc/74/05/00/378740500.db2.gz VMTDLLZYCFXZMR-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346767173 218009199 /nfs/dbraw/zinc/00/91/99/218009199.db2.gz ICHYBQHXXXEYEL-NEPJUHHUSA-N 1 0 291.351 2.150 20 5 CEBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000453162614 378821778 /nfs/dbraw/zinc/82/17/78/378821778.db2.gz PFFQMOUTZVIJBM-ZDUSSCGKSA-N 1 0 266.345 2.350 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000454138984 378942311 /nfs/dbraw/zinc/94/23/11/378942311.db2.gz DDBXJLAQPIIKRF-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H]1O ZINC000453613361 378921679 /nfs/dbraw/zinc/92/16/79/378921679.db2.gz LHMXWBTXFQLALS-FAQJLRJSSA-N 1 0 262.309 2.111 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347160123 218140179 /nfs/dbraw/zinc/14/01/79/218140179.db2.gz GRVZXKIVDCKQIE-HNNXBMFYSA-N 1 0 275.352 2.230 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168372 218143526 /nfs/dbraw/zinc/14/35/26/218143526.db2.gz MMHMNJBOVWCUMU-ZDUSSCGKSA-N 1 0 277.368 2.335 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347298363 218182150 /nfs/dbraw/zinc/18/21/50/218182150.db2.gz HUIPLUYYRYUGLI-UHFFFAOYSA-N 1 0 298.318 2.197 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](O)C1 ZINC000347353725 218201387 /nfs/dbraw/zinc/20/13/87/218201387.db2.gz GUJJQKLOGHHHCJ-JQVXPOPVSA-N 1 0 276.336 2.455 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289471936 197363072 /nfs/dbraw/zinc/36/30/72/197363072.db2.gz IAJCJVUVMOSKLU-OAHLLOKOSA-N 1 0 294.351 2.114 20 5 CEBDRO Cc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000302770523 379446991 /nfs/dbraw/zinc/44/69/91/379446991.db2.gz BVLNSMZIJXPGEQ-GFCCVEGCSA-N 1 0 299.334 2.384 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187112132 183654135 /nfs/dbraw/zinc/65/41/35/183654135.db2.gz JDJHQJLWPFAEHG-MGPQQGTHSA-N 1 0 262.309 2.252 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854246 190284831 /nfs/dbraw/zinc/28/48/31/190284831.db2.gz JKGXRZHQTGQQPD-QWHCGFSZSA-N 1 0 296.367 2.279 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@]1([NH+](C)C)CCSC1 ZINC000267066800 190301320 /nfs/dbraw/zinc/30/13/20/190301320.db2.gz HTFCXSBFFXIWCA-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H](C)O ZINC000267031125 190298353 /nfs/dbraw/zinc/29/83/53/190298353.db2.gz MQWJUVLUFWCPBG-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305249082 379696841 /nfs/dbraw/zinc/69/68/41/379696841.db2.gz IRPBTUXIUILYMT-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000267547146 190337236 /nfs/dbraw/zinc/33/72/36/190337236.db2.gz XADOASXHLCYAHJ-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024410 190370178 /nfs/dbraw/zinc/37/01/78/190370178.db2.gz IVQFMNNUPUKXJV-GFCCVEGCSA-N 1 0 279.340 2.036 20 5 CEBDRO Cc1cnc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889124 190360672 /nfs/dbraw/zinc/36/06/72/190360672.db2.gz RBYPPILHWSFJAU-QWRGUYRKSA-N 1 0 276.340 2.335 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000458201944 380040782 /nfs/dbraw/zinc/04/07/82/380040782.db2.gz WSSHWXQPCSZZHW-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)C1 ZINC000488739484 380126885 /nfs/dbraw/zinc/12/68/85/380126885.db2.gz WMVOUIBVZOXTNQ-DYEKYZERSA-N 1 0 290.367 2.156 20 5 CEBDRO CC[NH+](CC)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268216134 190386689 /nfs/dbraw/zinc/38/66/89/190386689.db2.gz IYGLTNQGOIKFFF-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO Cc1nnc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000541686408 380277664 /nfs/dbraw/zinc/27/76/64/380277664.db2.gz DGPDFRPYMRRREC-MRVPVSSYSA-N 1 0 262.269 2.137 20 5 CEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000547942679 380476903 /nfs/dbraw/zinc/47/69/03/380476903.db2.gz GJQJJYOHGUAERC-LLVKDONJSA-N 1 0 293.367 2.378 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223773 194340447 /nfs/dbraw/zinc/34/04/47/194340447.db2.gz IINWHBIAQHYKGF-BXUZGUMPSA-N 1 0 291.351 2.336 20 5 CEBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000092926585 184635587 /nfs/dbraw/zinc/63/55/87/184635587.db2.gz KJRNFPKGENHISJ-LDYMZIIASA-N 1 0 274.280 2.110 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000415576037 533036964 /nfs/dbraw/zinc/03/69/64/533036964.db2.gz FRCHQHBGROWPNT-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CO ZINC000349274516 218836115 /nfs/dbraw/zinc/83/61/15/218836115.db2.gz GADPSYBCQKZTIL-YTRUQHMWSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254952 219003356 /nfs/dbraw/zinc/00/33/56/219003356.db2.gz RXCOUAHOQSXIAJ-ZWNOBZJWSA-N 1 0 297.786 2.330 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCCC1)CC2 ZINC000408417129 285142022 /nfs/dbraw/zinc/14/20/22/285142022.db2.gz PYLUBXGDEJQRBS-UHFFFAOYSA-N 1 0 276.336 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCOC1)CCO2 ZINC000352703231 285142060 /nfs/dbraw/zinc/14/20/60/285142060.db2.gz AJABPSXVCVLNHA-LBPRGKRZSA-N 1 0 292.335 2.216 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCO)C1CC1 ZINC000194225138 285160774 /nfs/dbraw/zinc/16/07/74/285160774.db2.gz DDJZLDYKIZQWHE-CQSZACIVSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000289042552 197220123 /nfs/dbraw/zinc/22/01/23/197220123.db2.gz PTOYFSCYAOJJSW-AAEUAGOBSA-N 1 0 264.325 2.188 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150880277 285165947 /nfs/dbraw/zinc/16/59/47/285165947.db2.gz RZHOCJQXYYCEGX-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000081275295 177785778 /nfs/dbraw/zinc/78/57/78/177785778.db2.gz KQCARJGDLVDMEV-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+](C)C ZINC000093900814 184741575 /nfs/dbraw/zinc/74/15/75/184741575.db2.gz VCRGMHZAKITLFP-UHFFFAOYSA-N 1 0 293.367 2.202 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000094340426 184784481 /nfs/dbraw/zinc/78/44/81/184784481.db2.gz HBRZAYHBEGJALY-QPUJVOFHSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC(F)F)cs1 ZINC000190895222 130159535 /nfs/dbraw/zinc/15/95/35/130159535.db2.gz FOAKGJWRKHIWDZ-UHFFFAOYSA-N 1 0 266.269 2.028 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191206193 130201944 /nfs/dbraw/zinc/20/19/44/130201944.db2.gz FPNXUENKTKSNLL-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237516930 131037559 /nfs/dbraw/zinc/03/75/59/131037559.db2.gz RIEQKILXVVNLMA-WCQYABFASA-N 1 0 291.351 2.223 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421014362 394463583 /nfs/dbraw/zinc/46/35/83/394463583.db2.gz VVANWOCABLBLBH-AWEZNQCLSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413042505 394473140 /nfs/dbraw/zinc/47/31/40/394473140.db2.gz LXIMFOYBMMILHQ-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000252641720 394572945 /nfs/dbraw/zinc/57/29/45/394572945.db2.gz MEOTXGVACJEZNT-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413450566 394555259 /nfs/dbraw/zinc/55/52/59/394555259.db2.gz YMBPUEPGQMNVRB-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)cc1OC(F)F ZINC000356749970 394601322 /nfs/dbraw/zinc/60/13/22/394601322.db2.gz YGZDCNWJMOUDLD-UHFFFAOYSA-N 1 0 287.266 2.314 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561553 394666673 /nfs/dbraw/zinc/66/66/73/394666673.db2.gz XTOVIYQZVVQSEC-GHMZBOCLSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000357008828 394680052 /nfs/dbraw/zinc/68/00/52/394680052.db2.gz VDHQVWHWZVCJJZ-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000357057388 394694377 /nfs/dbraw/zinc/69/43/77/394694377.db2.gz VMBXRLHXISZWNH-GFCCVEGCSA-N 1 0 292.364 2.188 20 5 CEBDRO CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000268899721 394702013 /nfs/dbraw/zinc/70/20/13/394702013.db2.gz QVTBDMXDSNYQNS-LBPRGKRZSA-N 1 0 299.758 2.205 20 5 CEBDRO CNCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838772 394763666 /nfs/dbraw/zinc/76/36/66/394763666.db2.gz ZKDGBQKBZHMCSK-TZMCWYRMSA-N 1 0 277.368 2.115 20 5 CEBDRO CCC[NH2+]CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414867822 394778769 /nfs/dbraw/zinc/77/87/69/394778769.db2.gz JJWBAUCKEOFOTQ-ALCCZGGFSA-N 1 0 263.341 2.197 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000361040730 394812674 /nfs/dbraw/zinc/81/26/74/394812674.db2.gz ARCYHHKFAJBHFH-WDEREUQCSA-N 1 0 295.387 2.039 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000422834725 394819140 /nfs/dbraw/zinc/81/91/40/394819140.db2.gz XJIGGJSSDHEIEL-HNNXBMFYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414950458 394820415 /nfs/dbraw/zinc/82/04/15/394820415.db2.gz HXOLBHRIMPRXBS-JTQLQIEISA-N 1 0 275.308 2.292 20 5 CEBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000415049585 394863837 /nfs/dbraw/zinc/86/38/37/394863837.db2.gz DMLXIFUZHZIGDZ-SNVBAGLBSA-N 1 0 295.236 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000415072941 394875418 /nfs/dbraw/zinc/87/54/18/394875418.db2.gz XODJPMODIRRXHW-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO Cc1cc(N2C[C@@H](O)C3(CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000364423983 394900480 /nfs/dbraw/zinc/90/04/80/394900480.db2.gz YHQLEACAVDVPQA-OAHLLOKOSA-N 1 0 299.330 2.413 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368718 394903383 /nfs/dbraw/zinc/90/33/83/394903383.db2.gz FJODAWBATLIJSC-NTZNESFSSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1cc(NC(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415416937 394929945 /nfs/dbraw/zinc/92/99/45/394929945.db2.gz LRPXNBLZHYUDIL-NSHDSACASA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000415419001 394929993 /nfs/dbraw/zinc/92/99/93/394929993.db2.gz POIJWSDWUNAWRR-LBPRGKRZSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415496779 394938523 /nfs/dbraw/zinc/93/85/23/394938523.db2.gz GYTFGOSDKPPRAF-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO [NH3+]CC1(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000415631455 394950207 /nfs/dbraw/zinc/95/02/07/394950207.db2.gz MZTHNRMTZOLHFU-UHFFFAOYSA-N 1 0 296.302 2.127 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286090115 395011257 /nfs/dbraw/zinc/01/12/57/395011257.db2.gz KGBBNYIKTKUOMF-NSHDSACASA-N 1 0 278.356 2.463 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153732382 395016342 /nfs/dbraw/zinc/01/63/42/395016342.db2.gz YLZXDYJSRWDWAI-CQSZACIVSA-N 1 0 262.309 2.207 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000423702694 394970294 /nfs/dbraw/zinc/97/02/94/394970294.db2.gz AKBJOEXPRMXHQJ-CYBMUJFWSA-N 1 0 291.351 2.082 20 5 CEBDRO CCN1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000340104643 394978242 /nfs/dbraw/zinc/97/82/42/394978242.db2.gz JDLXJKMTVSUNQQ-WFASDCNBSA-N 1 0 277.368 2.067 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000345839283 395079987 /nfs/dbraw/zinc/07/99/87/395079987.db2.gz PXUVNRKQRRHUPT-LLVKDONJSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417819673 395134702 /nfs/dbraw/zinc/13/47/02/395134702.db2.gz BYMHECJTJAEUCV-QWRGUYRKSA-N 1 0 294.355 2.001 20 5 CEBDRO CC[C@@H](NC(=O)NCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417849176 395146574 /nfs/dbraw/zinc/14/65/74/395146574.db2.gz LHFOLPITIHELPD-CYBMUJFWSA-N 1 0 294.355 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000433797367 395249315 /nfs/dbraw/zinc/24/93/15/395249315.db2.gz VYVIIRCXVRLSNY-CYBMUJFWSA-N 1 0 276.340 2.419 20 5 CEBDRO COCCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292181543 395187490 /nfs/dbraw/zinc/18/74/90/395187490.db2.gz QOOJMPDLNKVHLE-UHFFFAOYSA-N 1 0 282.340 2.083 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292303987 395192109 /nfs/dbraw/zinc/19/21/09/395192109.db2.gz NUIZRONOQLAFPV-CQSZACIVSA-N 1 0 279.315 2.266 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184532081 395274394 /nfs/dbraw/zinc/27/43/94/395274394.db2.gz LPFSGCBSEHRLPS-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420328045 395329590 /nfs/dbraw/zinc/32/95/90/395329590.db2.gz HALWOWMPBYTMAJ-RISCZKNCSA-N 1 0 281.331 2.289 20 5 CEBDRO COc1cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000420931315 395437642 /nfs/dbraw/zinc/43/76/42/395437642.db2.gz DBTVGZNOUZEYTA-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258090 395600350 /nfs/dbraw/zinc/60/03/50/395600350.db2.gz AFBVNWHALSESAE-TZMCWYRMSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449581608 395555902 /nfs/dbraw/zinc/55/59/02/395555902.db2.gz BBSCXTJOAALDIO-SECBINFHSA-N 1 0 280.353 2.111 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451197673 395593054 /nfs/dbraw/zinc/59/30/54/395593054.db2.gz AMMCUIMKNZKJHC-OAHLLOKOSA-N 1 0 294.351 2.462 20 5 CEBDRO CCN(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574464322 395630598 /nfs/dbraw/zinc/63/05/98/395630598.db2.gz GEFNSARVGDXEBP-ZDUSSCGKSA-N 1 0 263.341 2.123 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120263 395666563 /nfs/dbraw/zinc/66/65/63/395666563.db2.gz JCPIGCOTZDCSIT-GHMZBOCLSA-N 1 0 294.355 2.370 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239784 400280674 /nfs/dbraw/zinc/28/06/74/400280674.db2.gz OCGFCSSFARYNFF-RISCZKNCSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1cc(N[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000227859047 153351571 /nfs/dbraw/zinc/35/15/71/153351571.db2.gz QTWIWHFDSIIMIH-MRVPVSSYSA-N 1 0 271.292 2.105 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044407 153353988 /nfs/dbraw/zinc/35/39/88/153353988.db2.gz XXCPAJRPVHIWDV-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000229885153 153375704 /nfs/dbraw/zinc/37/57/04/153375704.db2.gz JJGGCNBUBMRDLF-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667167 153397533 /nfs/dbraw/zinc/39/75/33/153397533.db2.gz DNMPIYFUUWYAGX-AAEUAGOBSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000351510459 292289670 /nfs/dbraw/zinc/28/96/70/292289670.db2.gz RBEOBELVRXMEAC-NWDGAFQWSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361044265 155439932 /nfs/dbraw/zinc/43/99/32/155439932.db2.gz RPCHFUGXGWXLBM-YILIYONBSA-N 1 0 264.325 2.357 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000363878016 156046560 /nfs/dbraw/zinc/04/65/60/156046560.db2.gz XRWJDMLKEWKXND-CZUORRHYSA-N 1 0 289.379 2.429 20 5 CEBDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834120 156246119 /nfs/dbraw/zinc/24/61/19/156246119.db2.gz VWUKHQXLVBUNNS-TZMCWYRMSA-N 1 0 278.356 2.303 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368099619 156283658 /nfs/dbraw/zinc/28/36/58/156283658.db2.gz ZBLUDABCUXSSLO-UONOGXRCSA-N 1 0 289.335 2.169 20 5 CEBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174818428 165118610 /nfs/dbraw/zinc/11/86/10/165118610.db2.gz GDZCWZAIUQELBC-UHFFFAOYSA-N 1 0 254.334 2.158 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C2CCC2)n1 ZINC000176228721 165158736 /nfs/dbraw/zinc/15/87/36/165158736.db2.gz UXKBPYTYLKQCRI-LBPRGKRZSA-N 1 0 264.329 2.056 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)n1 ZINC000176266686 165159441 /nfs/dbraw/zinc/15/94/41/165159441.db2.gz SAWKLKBZNFBULX-NEPJUHHUSA-N 1 0 264.329 2.056 20 5 CEBDRO CC(C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176287261 165159482 /nfs/dbraw/zinc/15/94/82/165159482.db2.gz KBZIIMZWDBCBSJ-LBPRGKRZSA-N 1 0 266.345 2.159 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000176220594 165159722 /nfs/dbraw/zinc/15/97/22/165159722.db2.gz JXWUOPPRBTUQCQ-AWEZNQCLSA-N 1 0 286.335 2.281 20 5 CEBDRO O=C(CC[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000026157673 171473634 /nfs/dbraw/zinc/47/36/34/171473634.db2.gz WQPDIQOFGDHZDX-UHFFFAOYSA-N 1 0 263.297 2.019 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949787 196163432 /nfs/dbraw/zinc/16/34/32/196163432.db2.gz FCVSKAJIJKUKFY-WPRPVWTQSA-N 1 0 267.354 2.333 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285148800 196207533 /nfs/dbraw/zinc/20/75/33/196207533.db2.gz MCALRCYVTBQETC-WDEREUQCSA-N 1 0 279.340 2.254 20 5 CEBDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000037395475 173176046 /nfs/dbraw/zinc/17/60/46/173176046.db2.gz NPCANAWYPQBKJS-UHFFFAOYSA-N 1 0 265.313 2.230 20 5 CEBDRO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000038075617 174085739 /nfs/dbraw/zinc/08/57/39/174085739.db2.gz URUMMLITRJUARZ-NSHDSACASA-N 1 0 291.351 2.162 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066846 174468123 /nfs/dbraw/zinc/46/81/23/174468123.db2.gz LSGHIQSXLDZCTK-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000041119434 174485932 /nfs/dbraw/zinc/48/59/32/174485932.db2.gz UWVIUMPRQAGJPY-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071314599 176120891 /nfs/dbraw/zinc/12/08/91/176120891.db2.gz NASGAFJMLYPXHP-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000071332064 176125228 /nfs/dbraw/zinc/12/52/28/176125228.db2.gz UKEXEYJORIVOIX-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077453544 177270543 /nfs/dbraw/zinc/27/05/43/177270543.db2.gz QVKYGVZMBJCMLT-NSHDSACASA-N 1 0 272.732 2.499 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000078542639 177351756 /nfs/dbraw/zinc/35/17/56/177351756.db2.gz JWOZFPHTHKSKPZ-CYBMUJFWSA-N 1 0 267.304 2.486 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414479155 292621490 /nfs/dbraw/zinc/62/14/90/292621490.db2.gz ICTLPHZQOHLGOU-LLVKDONJSA-N 1 0 252.314 2.357 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251102 260315819 /nfs/dbraw/zinc/31/58/19/260315819.db2.gz QTJDRDLRJGYZSS-YTRGCGJWSA-N 1 0 278.352 2.443 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000086697966 260396538 /nfs/dbraw/zinc/39/65/38/260396538.db2.gz BMWSRHGHCCXNMP-GFCCVEGCSA-N 1 0 252.314 2.355 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C1CC1 ZINC000449333898 260422859 /nfs/dbraw/zinc/42/28/59/260422859.db2.gz ICJBWOQNWKSWSB-SMDDNHRTSA-N 1 0 278.352 2.134 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425290969 263039687 /nfs/dbraw/zinc/03/96/87/263039687.db2.gz YVECQAYERQCCQE-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323024 270334496 /nfs/dbraw/zinc/33/44/96/270334496.db2.gz LCYXZPUDLKTPLY-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896217 270341251 /nfs/dbraw/zinc/34/12/51/270341251.db2.gz CXVPTPYPOJVFJO-KCJUWKMLSA-N 1 0 297.742 2.005 20 5 CEBDRO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399411866 270369925 /nfs/dbraw/zinc/36/99/25/270369925.db2.gz CJQQPUNSEUXCRQ-SKDRFNHKSA-N 1 0 265.313 2.153 20 5 CEBDRO Cc1c(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399565718 270371436 /nfs/dbraw/zinc/37/14/36/270371436.db2.gz IFZYZMHBBJUGJP-SMDDNHRTSA-N 1 0 293.367 2.139 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000424318150 271044085 /nfs/dbraw/zinc/04/40/85/271044085.db2.gz PELMOVUAADGHRI-IRUJWGPZSA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@](C[NH3+])(NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430563503 271390663 /nfs/dbraw/zinc/39/06/63/271390663.db2.gz WILCWYCQUVQSBS-CYBMUJFWSA-N 1 0 283.759 2.465 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415580522 274722656 /nfs/dbraw/zinc/72/26/56/274722656.db2.gz LYBITRVLRDZKPA-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394130 276019106 /nfs/dbraw/zinc/01/91/06/276019106.db2.gz LPNQNTJOSJTDMV-GWCFXTLKSA-N 1 0 252.314 2.262 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000267225930 276118483 /nfs/dbraw/zinc/11/84/83/276118483.db2.gz OWZPPAGRYJHZND-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225820257 276213057 /nfs/dbraw/zinc/21/30/57/276213057.db2.gz MYVAOCRFCCNARL-CQSZACIVSA-N 1 0 266.341 2.482 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278881250 277263021 /nfs/dbraw/zinc/26/30/21/277263021.db2.gz SOEVOKJTNYNEIT-TUKIKUTGSA-N 1 0 294.351 2.439 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414663394 277277284 /nfs/dbraw/zinc/27/72/84/277277284.db2.gz RZKRDZVALAZMQA-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000178695174 278226132 /nfs/dbraw/zinc/22/61/32/278226132.db2.gz XEWUSGZNAHNDBW-JTQLQIEISA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726386 278300378 /nfs/dbraw/zinc/30/03/78/278300378.db2.gz VBKVVUKKEYPTMZ-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805630 278379994 /nfs/dbraw/zinc/37/99/94/278379994.db2.gz JQIXTIVECOKMID-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H]1CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212295 279757220 /nfs/dbraw/zinc/75/72/20/279757220.db2.gz ZFQOLGAETSEYFL-STQMWFEESA-N 1 0 290.367 2.300 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977114 279790610 /nfs/dbraw/zinc/79/06/10/279790610.db2.gz GJPMJXOYMBGYAB-TUKIKUTGSA-N 1 0 294.351 2.439 20 5 CEBDRO Cn1cc(C[NH2+]CCCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000136506596 280061643 /nfs/dbraw/zinc/06/16/43/280061643.db2.gz XCVUIIJNBRCTPD-UHFFFAOYSA-N 1 0 292.314 2.445 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216271262 280208446 /nfs/dbraw/zinc/20/84/46/280208446.db2.gz JVYMWNJKYHCKAU-HJWRWDBZSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000235619133 280335823 /nfs/dbraw/zinc/33/58/23/280335823.db2.gz UDJSFLSGEIDLIX-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301246436 280664112 /nfs/dbraw/zinc/66/41/12/280664112.db2.gz LJBLELAWECBMJA-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000394967605 280671512 /nfs/dbraw/zinc/67/15/12/280671512.db2.gz ANAKLKUKBWQGPF-JTQLQIEISA-N 1 0 270.304 2.232 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000133575270 281013599 /nfs/dbraw/zinc/01/35/99/281013599.db2.gz JACPHNSDSWHUDY-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464117 281048118 /nfs/dbraw/zinc/04/81/18/281048118.db2.gz LVRPLGIHUQNASH-BXUZGUMPSA-N 1 0 263.341 2.299 20 5 CEBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463900 281194291 /nfs/dbraw/zinc/19/42/91/281194291.db2.gz VIZZXLHCRBTADT-YPMHNXCESA-N 1 0 289.335 2.408 20 5 CEBDRO Cc1cccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292398918 281229979 /nfs/dbraw/zinc/22/99/79/281229979.db2.gz USGPWVVQWVUSHP-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000445879920 281703783 /nfs/dbraw/zinc/70/37/83/281703783.db2.gz JPAOBRNNIZQZIV-JTQLQIEISA-N 1 0 294.277 2.358 20 5 CEBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000459815963 290247654 /nfs/dbraw/zinc/24/76/54/290247654.db2.gz YZMHXWASWGFBQB-AWEZNQCLSA-N 1 0 293.367 2.315 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488078084 290377513 /nfs/dbraw/zinc/37/75/13/290377513.db2.gz HZUVINADYHINTJ-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269763 297644309 /nfs/dbraw/zinc/64/43/09/297644309.db2.gz DXVGFDIITWFZHA-IACUBPJLSA-N 1 0 276.336 2.331 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530749259 298083470 /nfs/dbraw/zinc/08/34/70/298083470.db2.gz WWDGYYVKQRXHRC-WCQYABFASA-N 1 0 291.351 2.032 20 5 CEBDRO COCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000539523195 298249365 /nfs/dbraw/zinc/24/93/65/298249365.db2.gz ZMWQBYBZJMIHEW-XQRVVYSFSA-N 1 0 262.309 2.377 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563419148 298775770 /nfs/dbraw/zinc/77/57/70/298775770.db2.gz STRQEHZWGYAEFE-IUPBHXKESA-N 1 0 262.309 2.085 20 5 CEBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000566182449 298953204 /nfs/dbraw/zinc/95/32/04/298953204.db2.gz FFJPMBAJZTXWPK-UHFFFAOYSA-N 1 0 256.327 2.056 20 5 CEBDRO Cc1ccnc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294901042 302272416 /nfs/dbraw/zinc/27/24/16/302272416.db2.gz IESQBDKPXXDWMW-LLVKDONJSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H]1C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517556098 313111279 /nfs/dbraw/zinc/11/12/79/313111279.db2.gz GEBZLULBXFVJTM-QWRGUYRKSA-N 1 0 277.324 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)OCCO ZINC000548767836 313574816 /nfs/dbraw/zinc/57/48/16/313574816.db2.gz XDIRLUYERMQRKX-LBPRGKRZSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000569600747 314002763 /nfs/dbraw/zinc/00/27/63/314002763.db2.gz LAIFHBBLDWHOQW-DMDPSCGWSA-N 1 0 291.351 2.078 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570799627 314058822 /nfs/dbraw/zinc/05/88/22/314058822.db2.gz YQLUVVKGFOTOPB-DCAQKATOSA-N 1 0 294.355 2.081 20 5 CEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000573216386 314146533 /nfs/dbraw/zinc/14/65/33/314146533.db2.gz WZTANBRUXMLUCJ-AWEZNQCLSA-N 1 0 294.330 2.051 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000577364292 314367999 /nfs/dbraw/zinc/36/79/99/314367999.db2.gz PAQMXRKZWUBMTR-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000578759846 314514358 /nfs/dbraw/zinc/51/43/58/314514358.db2.gz MUOWHUYWLRVAQP-CHWSQXEVSA-N 1 0 292.335 2.033 20 5 CEBDRO COc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382453213 321839965 /nfs/dbraw/zinc/83/99/65/321839965.db2.gz HDIMOFIYXJDKGT-UWVGGRQHSA-N 1 0 265.313 2.285 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000388796340 321887659 /nfs/dbraw/zinc/88/76/59/321887659.db2.gz SNMPCSZCLXPRIS-CYZMBNFOSA-N 1 0 261.325 2.077 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CCSC1 ZINC000580783374 322344470 /nfs/dbraw/zinc/34/44/70/322344470.db2.gz IIOOGLIHXZOAGA-OCCSQVGLSA-N 1 0 294.376 2.040 20 5 CEBDRO CC(C)[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000580904142 322354256 /nfs/dbraw/zinc/35/42/56/322354256.db2.gz DEMRZOQTQFNEFB-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081458 322368614 /nfs/dbraw/zinc/36/86/14/322368614.db2.gz BAQXZPSPUHPILZ-GXFFZTMASA-N 1 0 291.351 2.039 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000581289466 322383529 /nfs/dbraw/zinc/38/35/29/322383529.db2.gz COQLKKKDBPXGKH-UHFFFAOYSA-N 1 0 290.323 2.082 20 5 CEBDRO Cc1c(Cn2cc3c(n2)[C@@H]([NH3+])CCC3)cccc1[N+](=O)[O-] ZINC000581879038 322428749 /nfs/dbraw/zinc/42/87/49/322428749.db2.gz DDXOSBRQHDNOQY-ZDUSSCGKSA-N 1 0 286.335 2.484 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000584035501 326903459 /nfs/dbraw/zinc/90/34/59/326903459.db2.gz DWPJVEYQVWRZST-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000584173332 327057631 /nfs/dbraw/zinc/05/76/31/327057631.db2.gz SQKGNBAZDPRNBA-BETUJISGSA-N 1 0 291.351 2.069 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732893 335877150 /nfs/dbraw/zinc/87/71/50/335877150.db2.gz BAXJLGORLJTGIW-YRGRVCCFSA-N 1 0 262.309 2.349 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000566475687 501083733 /nfs/dbraw/zinc/08/37/33/501083733.db2.gz OAEFFJIPOOPRJQ-IAQYHMDHSA-N 1 0 298.346 2.452 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412093961 533802345 /nfs/dbraw/zinc/80/23/45/533802345.db2.gz SAPDEDVMLOIXFX-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000356837070 533862234 /nfs/dbraw/zinc/86/22/34/533862234.db2.gz CXSBWESVBCGQTK-QWHCGFSZSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414517553 533871941 /nfs/dbraw/zinc/87/19/41/533871941.db2.gz QSGREODJCCHBGT-NQBHXWOUSA-N 1 0 264.325 2.498 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000414088688 517826508 /nfs/dbraw/zinc/82/65/08/517826508.db2.gz JKWXJOSRNWLTEN-RYUDHWBXSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000414652726 534340138 /nfs/dbraw/zinc/34/01/38/534340138.db2.gz DVBFGYBGOPXDFE-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000414661406 534341815 /nfs/dbraw/zinc/34/18/15/534341815.db2.gz PYZODMCKHLAHEY-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453870 519756744 /nfs/dbraw/zinc/75/67/44/519756744.db2.gz JFNNJBZMIKEGOW-WFASDCNBSA-N 1 0 296.367 2.279 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063166630 522040406 /nfs/dbraw/zinc/04/04/06/522040406.db2.gz KOIGLHWNRQLRBG-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183832404 522816516 /nfs/dbraw/zinc/81/65/16/522816516.db2.gz MZSGQYZBMGEEOT-CYBMUJFWSA-N 1 0 293.367 2.408 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000188683154 522832647 /nfs/dbraw/zinc/83/26/47/522832647.db2.gz SNRMSZFFALVCAA-UHFFFAOYSA-N 1 0 298.726 2.291 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074729 525021332 /nfs/dbraw/zinc/02/13/32/525021332.db2.gz LNHOHGCIBFPUSG-NEPJUHHUSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)CC1 ZINC000183252805 525563611 /nfs/dbraw/zinc/56/36/11/525563611.db2.gz CPZRNNBVIFFUNY-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[NH2+]C3)o2)cc1 ZINC000414867965 534881318 /nfs/dbraw/zinc/88/13/18/534881318.db2.gz GWJVQBGKAZDLFJ-LBPRGKRZSA-N 1 0 287.319 2.306 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000411082887 527080859 /nfs/dbraw/zinc/08/08/59/527080859.db2.gz BXOYNAUNMDLSSX-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000048065701 527364518 /nfs/dbraw/zinc/36/45/18/527364518.db2.gz XMFXUDNTOREMLP-UHFFFAOYSA-N 1 0 294.311 2.401 20 5 CEBDRO CCCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173517719 528181851 /nfs/dbraw/zinc/18/18/51/528181851.db2.gz MEAMWCKEYQTPAH-AWEZNQCLSA-N 1 0 298.387 2.053 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000414928851 528952182 /nfs/dbraw/zinc/95/21/82/528952182.db2.gz NNOCHJWMXNDQCV-AWEZNQCLSA-N 1 0 277.368 2.463 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000313014832 535362316 /nfs/dbraw/zinc/36/23/16/535362316.db2.gz FFFWGCAAHSPJAZ-VIFPVBQESA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000751925348 574474519 /nfs/dbraw/zinc/47/45/19/574474519.db2.gz DOOKBJSWDYIDQO-PHIMTYICSA-N 1 0 274.324 2.490 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733165439 574646993 /nfs/dbraw/zinc/64/69/93/574646993.db2.gz JIHQCRKZQDOGGB-CYBMUJFWSA-N 1 0 293.367 2.219 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749679079 575229055 /nfs/dbraw/zinc/22/90/55/575229055.db2.gz USOPCEUYZCGUBD-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941378 575301760 /nfs/dbraw/zinc/30/17/60/575301760.db2.gz NJFVEIRZDLTJSU-KOLCDFICSA-N 1 0 289.339 2.336 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000751947703 575302128 /nfs/dbraw/zinc/30/21/28/575302128.db2.gz UEOYDOVETPJPQJ-CYBMUJFWSA-N 1 0 290.323 2.013 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000261645578 623417322 /nfs/dbraw/zinc/41/73/22/623417322.db2.gz GSWKZWISZMXARN-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(NCC[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167380295 625649358 /nfs/dbraw/zinc/64/93/58/625649358.db2.gz OSUZZKODDKLIHX-HXUWFJFHSA-N 1 0 293.348 2.242 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1c([N+](=O)[O-])cnn1C ZINC000891846608 624018445 /nfs/dbraw/zinc/01/84/45/624018445.db2.gz OEQINBBBVKLXNK-GFCCVEGCSA-N 1 0 295.387 2.395 20 5 CEBDRO CC1CC[NH+](CCCCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891850298 624022656 /nfs/dbraw/zinc/02/26/56/624022656.db2.gz PXUVFIUKWCYANK-UHFFFAOYSA-N 1 0 295.387 2.252 20 5 CEBDRO CC[N@H+](CCC(=O)NC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000933869134 624060238 /nfs/dbraw/zinc/06/02/38/624060238.db2.gz NSEJZJFQURYTDS-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926439475 624729665 /nfs/dbraw/zinc/72/96/65/624729665.db2.gz JQXUEVNKQHDXDR-BONVTDFDSA-N 1 0 289.335 2.243 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044492120 624886627 /nfs/dbraw/zinc/88/66/27/624886627.db2.gz ZRVZZERWRLULEM-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820593609 634464653 /nfs/dbraw/zinc/46/46/53/634464653.db2.gz BYHAVMIZXNDFLH-SKDRFNHKSA-N 1 0 267.304 2.263 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295252221 628045963 /nfs/dbraw/zinc/04/59/63/628045963.db2.gz QNODLUZVLRNISO-LBPRGKRZSA-N 1 0 268.288 2.391 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893941117 629055306 /nfs/dbraw/zinc/05/53/06/629055306.db2.gz QTLGBMLPDRNZNX-ZANVPECISA-N 1 0 281.743 2.389 20 5 CEBDRO [NH3+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841103975 629133245 /nfs/dbraw/zinc/13/32/45/629133245.db2.gz VGACXNMVIAIHKR-UHFFFAOYSA-N 1 0 298.730 2.203 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868815 629227167 /nfs/dbraw/zinc/22/71/67/629227167.db2.gz GAFGVOKHIAZSPP-GWCFXTLKSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000093633699 629255319 /nfs/dbraw/zinc/25/53/19/629255319.db2.gz QBCDMQRFOUHBSV-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CCC[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057763 629830359 /nfs/dbraw/zinc/83/03/59/629830359.db2.gz HXRXOMBBMMZODV-SECBINFHSA-N 1 0 284.747 2.222 20 5 CEBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793534363 629901061 /nfs/dbraw/zinc/90/10/61/629901061.db2.gz PDMLWPINILKRNE-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCn2nncc2C1 ZINC000895757079 630333056 /nfs/dbraw/zinc/33/30/56/630333056.db2.gz PNIBMWYOFZDZTD-ZZXKWVIFSA-N 1 0 299.334 2.105 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510389 630578891 /nfs/dbraw/zinc/57/88/91/630578891.db2.gz NEVCWRJADWJKSE-VHSXEESVSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H](CNc1cc[nH+]cc1CO)c1ccccc1[N+](=O)[O-] ZINC000896794154 630671441 /nfs/dbraw/zinc/67/14/41/630671441.db2.gz RHTIKKNJBGJBGL-NSHDSACASA-N 1 0 287.319 2.120 20 5 CEBDRO CC1=CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797999138 630798643 /nfs/dbraw/zinc/79/86/43/630798643.db2.gz QQWHFWVUQDXNOR-AWEZNQCLSA-N 1 0 262.309 2.280 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000897136392 630958848 /nfs/dbraw/zinc/95/88/48/630958848.db2.gz ATONXQZLSWNPAT-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO CSCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799198501 630996941 /nfs/dbraw/zinc/99/69/41/630996941.db2.gz GLNNJNKHWXKDQE-ZDUSSCGKSA-N 1 0 284.381 2.313 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC000925155356 631124193 /nfs/dbraw/zinc/12/41/93/631124193.db2.gz VJQFKYDICXCJFR-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])on1 ZINC000925155501 631124234 /nfs/dbraw/zinc/12/42/34/631124234.db2.gz VWUPEZYQKPNYMM-JTQLQIEISA-N 1 0 291.307 2.485 20 5 CEBDRO C[C@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000800854434 631149601 /nfs/dbraw/zinc/14/96/01/631149601.db2.gz FIEABVPTIAKAPF-GXSJLCMTSA-N 1 0 264.329 2.072 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526818 631283203 /nfs/dbraw/zinc/28/32/03/631283203.db2.gz XXSFVLOFCQMGAR-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000897419780 631338267 /nfs/dbraw/zinc/33/82/67/631338267.db2.gz SCSUXRCCOHJRAG-UHFFFAOYSA-N 1 0 284.335 2.153 20 5 CEBDRO C[C@H](C[NH2+]Cc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897464066 631532150 /nfs/dbraw/zinc/53/21/50/631532150.db2.gz KBPYRRLUZGKJKC-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000897468886 631534250 /nfs/dbraw/zinc/53/42/50/631534250.db2.gz AUPYGBLJQKPXEO-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841029487 631811975 /nfs/dbraw/zinc/81/19/75/631811975.db2.gz HUSZFPQDKNNZSX-LLVKDONJSA-N 1 0 271.748 2.321 20 5 CEBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)NC ZINC000897710547 631882086 /nfs/dbraw/zinc/88/20/86/631882086.db2.gz WGWFFGDYSBHTNR-SOFGYWHQSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC(O)C2 ZINC000897849385 631944394 /nfs/dbraw/zinc/94/43/94/631944394.db2.gz XDNDNVNWJHKIAL-MPMKUSMGSA-N 1 0 290.363 2.419 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cncs1 ZINC000897931027 631970217 /nfs/dbraw/zinc/97/02/17/631970217.db2.gz UUIYQCYTOBBOHB-XNWIYYODSA-N 1 0 293.352 2.302 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H](O)C1CC1 ZINC000898205560 632086928 /nfs/dbraw/zinc/08/69/28/632086928.db2.gz FDCVDOOMYFHKKE-QTLSWZBMSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083451 632450685 /nfs/dbraw/zinc/45/06/85/632450685.db2.gz GWMHJXOHKRTACP-RISCZKNCSA-N 1 0 280.324 2.051 20 5 CEBDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000927149445 632607431 /nfs/dbraw/zinc/60/74/31/632607431.db2.gz BYXIIAONZWWIBR-JKOKRWQUSA-N 1 0 264.325 2.406 20 5 CEBDRO [NH3+][C@@H]1CCc2cc(-c3ccc([N+](=O)[O-])nc3)ccc2C1 ZINC000899323009 632784628 /nfs/dbraw/zinc/78/46/28/632784628.db2.gz LSAPPRCIIBYZRZ-CQSZACIVSA-N 1 0 269.304 2.473 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000815161470 632974891 /nfs/dbraw/zinc/97/48/91/632974891.db2.gz FJVCKXYDUFFLFH-NXEZZACHSA-N 1 0 295.314 2.403 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625377 633040014 /nfs/dbraw/zinc/04/00/14/633040014.db2.gz BQZOKPDKMGIRDF-JQWIXIFHSA-N 1 0 281.356 2.092 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)cc1 ZINC000899994411 633164720 /nfs/dbraw/zinc/16/47/20/633164720.db2.gz AMHNIJRIENMTEO-MVWJERBFSA-N 1 0 286.291 2.253 20 5 CEBDRO CCCCOCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818982769 634029322 /nfs/dbraw/zinc/02/93/22/634029322.db2.gz QWWBTWKEQFXXDU-AWEZNQCLSA-N 1 0 282.340 2.035 20 5 CEBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819129080 634077047 /nfs/dbraw/zinc/07/70/47/634077047.db2.gz ABZMYQCWQKROJO-LBPRGKRZSA-N 1 0 250.298 2.018 20 5 CEBDRO C[NH2+]C(C)(C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398677 634091242 /nfs/dbraw/zinc/09/12/42/634091242.db2.gz FXIHFOQBTWOZKW-UHFFFAOYSA-N 1 0 251.242 2.297 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000819194585 634101376 /nfs/dbraw/zinc/10/13/76/634101376.db2.gz RXXRXHJYJBCXJR-QMTHXVAHSA-N 1 0 275.308 2.307 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819249768 634116747 /nfs/dbraw/zinc/11/67/47/634116747.db2.gz LZTGWALVXFQLAD-AGIUHOORSA-N 1 0 294.351 2.113 20 5 CEBDRO COCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819291229 634129923 /nfs/dbraw/zinc/12/99/23/634129923.db2.gz SDUYNRSAAMZXDU-AWEZNQCLSA-N 1 0 294.351 2.035 20 5 CEBDRO COC1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819332424 634143393 /nfs/dbraw/zinc/14/33/93/634143393.db2.gz RMZMGMAEEIJCHQ-CQSZACIVSA-N 1 0 294.351 2.177 20 5 CEBDRO CC[C@H]([NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841072291 634309227 /nfs/dbraw/zinc/30/92/27/634309227.db2.gz NOVMGBLLBVHTES-JTQLQIEISA-N 1 0 257.721 2.075 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000902934958 634904913 /nfs/dbraw/zinc/90/49/13/634904913.db2.gz SYFUMMCJIAZTLZ-VIFPVBQESA-N 1 0 298.730 2.074 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153894 634991517 /nfs/dbraw/zinc/99/15/17/634991517.db2.gz PJKVJZFDKNJRHX-HERUPUMHSA-N 1 0 294.351 2.413 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCCCO)cc([N+](=O)[O-])c1 ZINC000903158677 634993117 /nfs/dbraw/zinc/99/31/17/634993117.db2.gz JJBMMIFKVUEKDZ-JTQLQIEISA-N 1 0 268.313 2.027 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903200450 635010377 /nfs/dbraw/zinc/01/03/77/635010377.db2.gz SEBLVYCYOUESNC-MNOVXSKESA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069623 635059620 /nfs/dbraw/zinc/05/96/20/635059620.db2.gz QXFLYSHGDFUQLP-PHDIDXHHSA-N 1 0 268.298 2.157 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903391156 635087724 /nfs/dbraw/zinc/08/77/24/635087724.db2.gz VVKJLEDLXGHZPQ-ZJUUUORDSA-N 1 0 282.340 2.413 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392981 635089474 /nfs/dbraw/zinc/08/94/74/635089474.db2.gz CMJVVUVBAYVVHH-YWVKMMECSA-N 1 0 268.288 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903467400 635140236 /nfs/dbraw/zinc/14/02/36/635140236.db2.gz AZNKTVYIZCXZKY-CYBMUJFWSA-N 1 0 279.315 2.108 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[NH2+]CC1(C)C ZINC000903821610 635289947 /nfs/dbraw/zinc/28/99/47/635289947.db2.gz NKJXDVJGGHGYSS-AWEZNQCLSA-N 1 0 293.367 2.081 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000904081931 635441842 /nfs/dbraw/zinc/44/18/42/635441842.db2.gz YMXZEEAEIIKZRB-LLVKDONJSA-N 1 0 288.307 2.358 20 5 CEBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905152345 635831162 /nfs/dbraw/zinc/83/11/62/635831162.db2.gz BLRWUPTXWNUKCQ-SNVBAGLBSA-N 1 0 272.732 2.364 20 5 CEBDRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]CC[N+](=O)[O-] ZINC000905292840 636194632 /nfs/dbraw/zinc/19/46/32/636194632.db2.gz RTCIVAPCKMDCRH-SNVBAGLBSA-N 1 0 279.315 2.115 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C/C=C/c1ccc(Br)cc1 ZINC000905273488 636201636 /nfs/dbraw/zinc/20/16/36/636201636.db2.gz PQLRELIWDBVSIT-OWOJBTEDSA-N 1 0 285.141 2.329 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000906508119 636759605 /nfs/dbraw/zinc/75/96/05/636759605.db2.gz VIDPHJKMIMLSDJ-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000876527676 650304469 /nfs/dbraw/zinc/30/44/69/650304469.db2.gz KBZNUFRKNXBTBY-GFCCVEGCSA-N 1 0 264.325 2.168 20 5 CEBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876536069 650310727 /nfs/dbraw/zinc/31/07/27/650310727.db2.gz UWWVLPUBGNQEMB-UHFFFAOYSA-N 1 0 287.319 2.169 20 5 CEBDRO Cc1ccc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876546088 650317313 /nfs/dbraw/zinc/31/73/13/650317313.db2.gz XZWGQCLQBSQVOF-HOSRBBHYSA-N 1 0 289.335 2.398 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000149693524 637502180 /nfs/dbraw/zinc/50/21/80/637502180.db2.gz OCFZPGOYPPMGQD-HONMWMINSA-N 1 0 264.325 2.406 20 5 CEBDRO COc1ccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000924841084 638326800 /nfs/dbraw/zinc/32/68/00/638326800.db2.gz ICFYUJLOWTZZRU-QWRGUYRKSA-N 1 0 294.351 2.364 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000876774172 650427215 /nfs/dbraw/zinc/42/72/15/650427215.db2.gz NOVCZCJZIHRORA-CQSZACIVSA-N 1 0 286.335 2.145 20 5 CEBDRO CCNc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000912593053 638737150 /nfs/dbraw/zinc/73/71/50/638737150.db2.gz VLIYQGNLRHMIPU-UHFFFAOYSA-N 1 0 295.339 2.135 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829745 650449758 /nfs/dbraw/zinc/44/97/58/650449758.db2.gz XSNVWSKUIVTIJS-NWDGAFQWSA-N 1 0 291.351 2.211 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000223240747 639416510 /nfs/dbraw/zinc/41/65/10/639416510.db2.gz UEDPWLUIWXRQTH-UHFFFAOYSA-N 1 0 270.304 2.373 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000223449476 639424771 /nfs/dbraw/zinc/42/47/71/639424771.db2.gz GJXXOSYGJGLGPR-LBPRGKRZSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840893091 639574903 /nfs/dbraw/zinc/57/49/03/639574903.db2.gz DFZKDZFGZOHTDG-DMDPSCGWSA-N 1 0 293.367 2.379 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841028286 639621342 /nfs/dbraw/zinc/62/13/42/639621342.db2.gz NWRURDCKSVLHNN-NSHDSACASA-N 1 0 269.732 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000228559766 639644067 /nfs/dbraw/zinc/64/40/67/639644067.db2.gz IKUINBVFHCAFHD-SNVBAGLBSA-N 1 0 274.280 2.112 20 5 CEBDRO Cc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000228560122 639644193 /nfs/dbraw/zinc/64/41/93/639644193.db2.gz MURIQUMWGIXPAI-LLVKDONJSA-N 1 0 288.307 2.420 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841087235 639651412 /nfs/dbraw/zinc/65/14/12/639651412.db2.gz RYRMOZZSPGJMNT-LBPRGKRZSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[NH2+]C1 ZINC000876981013 650517873 /nfs/dbraw/zinc/51/78/73/650517873.db2.gz PDUZDZDWSZRLPO-MRXNPFEDSA-N 1 0 299.330 2.230 20 5 CEBDRO CC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000842147050 639965749 /nfs/dbraw/zinc/96/57/49/639965749.db2.gz ICBZKUUQTCFYJP-OAHLLOKOSA-N 1 0 293.367 2.142 20 5 CEBDRO CSCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877054405 650550876 /nfs/dbraw/zinc/55/08/76/650550876.db2.gz DTABDAYRZSAIRY-KPPDAEKUSA-N 1 0 284.385 2.226 20 5 CEBDRO [NH3+]C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843048691 640253495 /nfs/dbraw/zinc/25/34/95/640253495.db2.gz PTTAQDNRSNHZFC-VIFPVBQESA-N 1 0 269.732 2.029 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178903 640330468 /nfs/dbraw/zinc/33/04/68/640330468.db2.gz PWPIFLDKWLEEAQ-SECBINFHSA-N 1 0 276.296 2.276 20 5 CEBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CCCC1 ZINC000843219059 640351141 /nfs/dbraw/zinc/35/11/41/640351141.db2.gz RSZCTZJFSMUALR-UHFFFAOYSA-N 1 0 294.336 2.477 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219137 640351253 /nfs/dbraw/zinc/35/12/53/640351253.db2.gz XJABRBFMLHUGHM-ZCFIWIBFSA-N 1 0 268.298 2.029 20 5 CEBDRO Cc1cc(-c2noc(C[NH2+]CC3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239260 640365799 /nfs/dbraw/zinc/36/57/99/640365799.db2.gz IPAFNYFOYKYGBV-UHFFFAOYSA-N 1 0 288.307 2.453 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000914432807 640403875 /nfs/dbraw/zinc/40/38/75/640403875.db2.gz FEKOTSJZKZTNLZ-QWHCGFSZSA-N 1 0 292.335 2.118 20 5 CEBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCO1 ZINC000877122847 650582216 /nfs/dbraw/zinc/58/22/16/650582216.db2.gz ATJUARWUHWBYRL-GVOSGWPFSA-N 1 0 294.355 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[NH2+]C3CC3)n2)s1 ZINC000848628518 642080898 /nfs/dbraw/zinc/08/08/98/642080898.db2.gz VZXXUNNZOOQRDB-UHFFFAOYSA-N 1 0 280.309 2.001 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000848754018 642128952 /nfs/dbraw/zinc/12/89/52/642128952.db2.gz NRUMUBQMIGCJPL-AOOOYVTPSA-N 1 0 294.311 2.255 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000877441485 650723785 /nfs/dbraw/zinc/72/37/85/650723785.db2.gz BPXUJLGOFUTIHA-UHFFFAOYSA-N 1 0 293.367 2.115 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCCCO ZINC000877471405 650736678 /nfs/dbraw/zinc/73/66/78/650736678.db2.gz SJLASGUNKNFEDO-UHFFFAOYSA-N 1 0 266.341 2.416 20 5 CEBDRO CCOC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000877468642 650734667 /nfs/dbraw/zinc/73/46/67/650734667.db2.gz LUYUPGGUDYPRTG-ORHYLEIMSA-N 1 0 296.371 2.146 20 5 CEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877473565 650737787 /nfs/dbraw/zinc/73/77/87/650737787.db2.gz JVOXEDOKFHSPQY-CHWSQXEVSA-N 1 0 292.335 2.069 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)[NH3+] ZINC000849350509 642340211 /nfs/dbraw/zinc/34/02/11/642340211.db2.gz OTRJPAFQUOSHQR-UHFFFAOYSA-N 1 0 271.748 2.417 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850551520 642750352 /nfs/dbraw/zinc/75/03/52/642750352.db2.gz WJXLPDVBRFCXIX-LLVKDONJSA-N 1 0 295.339 2.252 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C ZINC000922576336 643135699 /nfs/dbraw/zinc/13/56/99/643135699.db2.gz PCEVMFZYZODMJC-LDCOFTPGSA-N 1 0 275.352 2.292 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851855186 643193113 /nfs/dbraw/zinc/19/31/13/643193113.db2.gz DAKWEIWFIKEKCB-UHFFFAOYSA-N 1 0 284.287 2.165 20 5 CEBDRO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1(F)F ZINC000877631802 650824075 /nfs/dbraw/zinc/82/40/75/650824075.db2.gz WJFZWTDFXJIZDK-NWGYLPEXSA-N 1 0 286.282 2.130 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494435 643314716 /nfs/dbraw/zinc/31/47/16/643314716.db2.gz DKHRMCPAQXRAPI-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO COC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852571936 643478368 /nfs/dbraw/zinc/47/83/68/643478368.db2.gz JHBISWUNRGLDBZ-NSHDSACASA-N 1 0 295.339 2.286 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853125160 643667934 /nfs/dbraw/zinc/66/79/34/643667934.db2.gz MNOQOKXAGQLLTH-TZMCWYRMSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000853458503 643777098 /nfs/dbraw/zinc/77/70/98/643777098.db2.gz NLSFXIDRWKMOCM-LBPRGKRZSA-N 1 0 293.367 2.442 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877753466 650897117 /nfs/dbraw/zinc/89/71/17/650897117.db2.gz POTIIFHDWPYSHC-ZDUSSCGKSA-N 1 0 264.325 2.188 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754524464 644384587 /nfs/dbraw/zinc/38/45/87/644384587.db2.gz XZCFAXTURSYCCT-CYBMUJFWSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855899495 644521528 /nfs/dbraw/zinc/52/15/28/644521528.db2.gz NFTYODQZNBNQHB-ZDUSSCGKSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1c(C[NH2+]CCCn2cccn2)cccc1[N+](=O)[O-] ZINC000126749146 650929411 /nfs/dbraw/zinc/92/94/11/650929411.db2.gz SJSVTGOVTXQNBG-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761075000 645230512 /nfs/dbraw/zinc/23/05/12/645230512.db2.gz ZJFYTMMAQRUEAO-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000763023893 645491013 /nfs/dbraw/zinc/49/10/13/645491013.db2.gz HEFTXZZFKDEEFB-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859617363 645539210 /nfs/dbraw/zinc/53/92/10/645539210.db2.gz ZEPWREINVMZQRX-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859676677 645565398 /nfs/dbraw/zinc/56/53/98/645565398.db2.gz BUVVJHPINJULBX-JTQLQIEISA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859829439 645622810 /nfs/dbraw/zinc/62/28/10/645622810.db2.gz QJLRZNUGURCORG-SPSJUYOASA-N 1 0 294.351 2.030 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000765290460 645752802 /nfs/dbraw/zinc/75/28/02/645752802.db2.gz KDIRTUITARWRTG-KWQFWETISA-N 1 0 292.257 2.477 20 5 CEBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCC1 ZINC000861389422 646169884 /nfs/dbraw/zinc/16/98/84/646169884.db2.gz LVPLKJCKSQTGOW-QXMHVHEDSA-N 1 0 290.319 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)C1CC1 ZINC000771822262 646555707 /nfs/dbraw/zinc/55/57/07/646555707.db2.gz WQFZOMWBYUUNMA-LLVKDONJSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1nn(C[NH+](C2CC2)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000863303401 646700199 /nfs/dbraw/zinc/70/01/99/646700199.db2.gz ZMZUELAPEZABEY-UHFFFAOYSA-N 1 0 287.323 2.232 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)[NH3+] ZINC000863569915 646758872 /nfs/dbraw/zinc/75/88/72/646758872.db2.gz XYLYMMKISIOAKR-LLVKDONJSA-N 1 0 281.356 2.161 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3[NH2+]CC[C@H]3O)cc2)cn1 ZINC000863717764 646797554 /nfs/dbraw/zinc/79/75/54/646797554.db2.gz ZHMDDXMVIDOCLQ-UKRRQHHQSA-N 1 0 285.303 2.052 20 5 CEBDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181896 646929084 /nfs/dbraw/zinc/92/90/84/646929084.db2.gz ZSQHLXXKMLWIEQ-HUYFXPKMSA-N 1 0 278.308 2.365 20 5 CEBDRO CC(C)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578657 647072845 /nfs/dbraw/zinc/07/28/45/647072845.db2.gz HINCFWJDNUOHKS-ZDUSSCGKSA-N 1 0 252.314 2.216 20 5 CEBDRO CSC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587919 647075423 /nfs/dbraw/zinc/07/54/23/647075423.db2.gz ZMPZJFKAKAVLEK-ZIAGYGMSSA-N 1 0 296.392 2.456 20 5 CEBDRO O=[N+]([O-])c1cc(CO)c(NCCC[NH+]2CCCC2)cc1F ZINC000865416439 647282816 /nfs/dbraw/zinc/28/28/16/647282816.db2.gz ZVMHDQYZUVUEGH-UHFFFAOYSA-N 1 0 297.330 2.124 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865565417 647363450 /nfs/dbraw/zinc/36/34/50/647363450.db2.gz YOBNYNDMNBRBEX-JTQLQIEISA-N 1 0 297.330 2.122 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215489 647676174 /nfs/dbraw/zinc/67/61/74/647676174.db2.gz YPEDMOPWCYQZHH-SKDRFNHKSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000866309041 647730167 /nfs/dbraw/zinc/73/01/67/647730167.db2.gz BEJKVDLGLJLBGV-QMTHXVAHSA-N 1 0 296.342 2.416 20 5 CEBDRO Cc1c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000866724363 647883832 /nfs/dbraw/zinc/88/38/32/647883832.db2.gz LMTASLPYYAMPJW-ZFWWWQNUSA-N 1 0 275.352 2.230 20 5 CEBDRO CCC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867950414 647999401 /nfs/dbraw/zinc/99/94/01/647999401.db2.gz VCKZYCPRQUILIP-IINYFYTJSA-N 1 0 279.340 2.074 20 5 CEBDRO CC[C@@H](C)CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984677 648010811 /nfs/dbraw/zinc/01/08/11/648010811.db2.gz QZOZLHNPSTWGBG-ABAIWWIYSA-N 1 0 293.367 2.321 20 5 CEBDRO Cc1cccc(NC2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000791053251 648476172 /nfs/dbraw/zinc/47/61/72/648476172.db2.gz CEHYBCKNNSZXNZ-UHFFFAOYSA-N 1 0 263.341 2.148 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000870572349 648837292 /nfs/dbraw/zinc/83/72/92/648837292.db2.gz LENNUCWCLZZJOC-ZDUSSCGKSA-N 1 0 280.324 2.338 20 5 CEBDRO Cc1cnc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c([N+](=O)[O-])c1 ZINC000871660360 649136711 /nfs/dbraw/zinc/13/67/11/649136711.db2.gz MZYDGMWKRBVYSP-AWEZNQCLSA-N 1 0 298.346 2.425 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034852 649248129 /nfs/dbraw/zinc/24/81/29/649248129.db2.gz LQZRNLUAWSITIU-CABZTGNLSA-N 1 0 270.304 2.401 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H](O)C1)CCC2 ZINC000872127776 649286087 /nfs/dbraw/zinc/28/60/87/649286087.db2.gz XYSJWRPDEDJJRK-WDBKCZKBSA-N 1 0 276.336 2.333 20 5 CEBDRO CCC[C@@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052310 649544148 /nfs/dbraw/zinc/54/41/48/649544148.db2.gz VJFKYJMUZFREFL-GFCCVEGCSA-N 1 0 266.341 2.462 20 5 CEBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078865 649554105 /nfs/dbraw/zinc/55/41/05/649554105.db2.gz SEZOTHMBOUXESA-CYBMUJFWSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000873096388 649558285 /nfs/dbraw/zinc/55/82/85/649558285.db2.gz YMMHYOMBLGVZAR-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873112146 649559653 /nfs/dbraw/zinc/55/96/53/649559653.db2.gz OXHCTWRTBAYFNF-JTQLQIEISA-N 1 0 252.314 2.336 20 5 CEBDRO COC[C@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873133853 649566464 /nfs/dbraw/zinc/56/64/64/649566464.db2.gz HZRXNZAGCYXSFB-ZDUSSCGKSA-N 1 0 296.367 2.353 20 5 CEBDRO CCC[C@H](C)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873192955 649584301 /nfs/dbraw/zinc/58/43/01/649584301.db2.gz LUTRACKXLKAEEC-NILFDRSVSA-N 1 0 296.367 2.015 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000879572867 651323915 /nfs/dbraw/zinc/32/39/15/651323915.db2.gz KALOYGCTMIQAPN-SMDDNHRTSA-N 1 0 293.342 2.260 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880138974 651390229 /nfs/dbraw/zinc/39/02/29/651390229.db2.gz JQDVRXMNXYKKCB-GFCCVEGCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000882072475 651952234 /nfs/dbraw/zinc/95/22/34/651952234.db2.gz FIBHGXBSPWTOAM-DTWKUNHWSA-N 1 0 280.303 2.166 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882235677 652006310 /nfs/dbraw/zinc/00/63/10/652006310.db2.gz VUIOTJYUEREFIQ-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000882959432 652290274 /nfs/dbraw/zinc/29/02/74/652290274.db2.gz FTKZVJMMBJWNAP-SNVBAGLBSA-N 1 0 287.323 2.044 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000882959431 652290511 /nfs/dbraw/zinc/29/05/11/652290511.db2.gz FTKZVJMMBJWNAP-JTQLQIEISA-N 1 0 287.323 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000884274694 652776934 /nfs/dbraw/zinc/77/69/34/652776934.db2.gz SICVMUTZTHPLKE-PWSUYJOCSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2(C[NH3+])CC2)c1C ZINC000884384549 652826560 /nfs/dbraw/zinc/82/65/60/652826560.db2.gz PMLQDHTWRMQISC-UHFFFAOYSA-N 1 0 291.351 2.070 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000721877943 806465351 /nfs/dbraw/zinc/46/53/51/806465351.db2.gz HTQIBWFUJSIVLQ-LBPRGKRZSA-N 1 0 264.325 2.188 20 5 CEBDRO CCOC(=O)[C@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621348 806869645 /nfs/dbraw/zinc/86/96/45/806869645.db2.gz RNIARFBAPYRERO-UONOGXRCSA-N 1 0 272.409 2.221 20 5 CEBDRO C[N+](C)(C)CCO[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001224773215 806949906 /nfs/dbraw/zinc/94/99/06/806949906.db2.gz GUSLCMGKOPHFRA-WKILWMFISA-N 1 0 264.389 2.457 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000698119393 806992128 /nfs/dbraw/zinc/99/21/28/806992128.db2.gz KVBMVAPAPFFBRQ-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO [NH3+]Cc1cccn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167585871 803164860 /nfs/dbraw/zinc/16/48/60/803164860.db2.gz GNDDGYBFKCMQNH-UHFFFAOYSA-N 1 0 272.308 2.118 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217978520 803522989 /nfs/dbraw/zinc/52/29/89/803522989.db2.gz BGQAQPVJWPTXFW-YPMHNXCESA-N 1 0 268.288 2.372 20 5 CEBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218384542 803594411 /nfs/dbraw/zinc/59/44/11/803594411.db2.gz PXESQZRUSHIGFM-LHLIQPBNSA-N 1 0 276.214 2.353 20 5 CEBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249278 815079817 /nfs/dbraw/zinc/07/98/17/815079817.db2.gz AUNUFBLPBCSDET-WDEREUQCSA-N 1 0 284.385 2.044 20 5 CEBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])[C@@H]2C1 ZINC001120922866 807354042 /nfs/dbraw/zinc/35/40/42/807354042.db2.gz RJEFXGWVHXQOQO-IVZWLZJFSA-N 1 0 267.354 2.408 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1(C)COC1 ZINC001173234535 815633962 /nfs/dbraw/zinc/63/39/62/815633962.db2.gz RUURYSKIGPEAET-LLVKDONJSA-N 1 0 264.325 2.247 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000061986114 807899239 /nfs/dbraw/zinc/89/92/39/807899239.db2.gz JLMOQMFLDSGWGH-QMMMGPOBSA-N 1 0 255.705 2.364 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000701068351 809385326 /nfs/dbraw/zinc/38/53/26/809385326.db2.gz RUYFEJFYGOHQJN-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000701061108 809387467 /nfs/dbraw/zinc/38/74/67/809387467.db2.gz FSWVXFGTKFATGC-IUCAKERBSA-N 1 0 297.742 2.105 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000701061111 809387510 /nfs/dbraw/zinc/38/75/10/809387510.db2.gz FSWVXFGTKFATGC-RKDXNWHRSA-N 1 0 297.742 2.105 20 5 CEBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001120883130 815290610 /nfs/dbraw/zinc/29/06/10/815290610.db2.gz BFUMWJAHSHBQFF-STQMWFEESA-N 1 0 276.340 2.216 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702054260 809490944 /nfs/dbraw/zinc/49/09/44/809490944.db2.gz SOWBMFCAAWODON-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000703594655 809667450 /nfs/dbraw/zinc/66/74/50/809667450.db2.gz GCPHNKJSKQXDSL-TVQRCGJNSA-N 1 0 281.743 2.294 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706500621 809828068 /nfs/dbraw/zinc/82/80/68/809828068.db2.gz PTPYBRLQEQKBDP-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccns2)cc1 ZINC000710010774 809979303 /nfs/dbraw/zinc/97/93/03/809979303.db2.gz QDBYFQWZSRLMPG-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000710825595 809995235 /nfs/dbraw/zinc/99/52/35/809995235.db2.gz BBPPJUUZKCUHMJ-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000711029448 810010670 /nfs/dbraw/zinc/01/06/70/810010670.db2.gz VWIQNOIEXPRNOL-MGCOHNPYSA-N 1 0 263.297 2.051 20 5 CEBDRO Cc1cc(Cl)nc(N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC001163596207 810136019 /nfs/dbraw/zinc/13/60/19/810136019.db2.gz XEYJLDKJURQUJC-UHFFFAOYSA-N 1 0 286.763 2.340 20 5 CEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154974359 810864682 /nfs/dbraw/zinc/86/46/82/810864682.db2.gz DGBLLYGEPCIBQN-HTQZYQBOSA-N 1 0 285.735 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CC(O)C3)c(Cl)c1 ZINC000725001161 811056687 /nfs/dbraw/zinc/05/66/87/811056687.db2.gz ZGEHQZSKWAKHMT-YDGIUTOCSA-N 1 0 282.727 2.251 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001122600161 815429686 /nfs/dbraw/zinc/42/96/86/815429686.db2.gz UEYJWJLEVUTHSU-MNOVXSKESA-N 1 0 277.324 2.359 20 5 CEBDRO [NH3+][C@@H]1CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156233607 811296927 /nfs/dbraw/zinc/29/69/27/811296927.db2.gz STLPGLSJCCCASA-MRVPVSSYSA-N 1 0 292.726 2.334 20 5 CEBDRO [NH3+]Cc1cccc2cnn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168976320 811304511 /nfs/dbraw/zinc/30/45/11/811304511.db2.gz CTBOOJSCVRVSGR-GWCFXTLKSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C1 ZINC001168977818 811306354 /nfs/dbraw/zinc/30/63/54/811306354.db2.gz MGCOLAHAECHGDD-DDTOSNHZSA-N 1 0 298.770 2.408 20 5 CEBDRO [NH3+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2cccnc12 ZINC001168978139 811307427 /nfs/dbraw/zinc/30/74/27/811307427.db2.gz OUNQYLQVHYAWJQ-AAEUAGOBSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)CC2CCCCC2)C1 ZINC001168978444 811309050 /nfs/dbraw/zinc/30/90/50/811309050.db2.gz SEYTZYSMEDWCFK-ZNMIVQPWSA-N 1 0 284.400 2.353 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985275 811310546 /nfs/dbraw/zinc/31/05/46/811310546.db2.gz SRGMJFSXBYFGMF-GXTWGEPZSA-N 1 0 276.336 2.294 20 5 CEBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984780 811311601 /nfs/dbraw/zinc/31/16/01/811311601.db2.gz AGGZTZRYQKSTDZ-XUXIUFHCSA-N 1 0 298.383 2.001 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168963228 811315711 /nfs/dbraw/zinc/31/57/11/811315711.db2.gz OTXZLRZZMVPCOP-YPMHNXCESA-N 1 0 263.341 2.352 20 5 CEBDRO Cc1ccccc1OCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967562 811318420 /nfs/dbraw/zinc/31/84/20/811318420.db2.gz QUKQERSAUOFQQJ-KGLIPLIRSA-N 1 0 278.352 2.409 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168968391 811320205 /nfs/dbraw/zinc/32/02/05/811320205.db2.gz YPCIAQDVIDCMAN-QPUJVOFHSA-N 1 0 283.278 2.325 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001168970646 811320622 /nfs/dbraw/zinc/32/06/22/811320622.db2.gz HZGYGYZJMYJOHT-NXEZZACHSA-N 1 0 269.732 2.270 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975651 811322624 /nfs/dbraw/zinc/32/26/24/811322624.db2.gz WQKTWDHBBZCCQS-KOLCDFICSA-N 1 0 298.289 2.183 20 5 CEBDRO [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168995232 811324391 /nfs/dbraw/zinc/32/43/91/811324391.db2.gz SAAIIHOSVXPGLV-KGLIPLIRSA-N 1 0 281.400 2.025 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001168997042 811324649 /nfs/dbraw/zinc/32/46/49/811324649.db2.gz XDUPYMAMBFJQCB-HTQZYQBOSA-N 1 0 275.761 2.332 20 5 CEBDRO Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168998185 811326785 /nfs/dbraw/zinc/32/67/85/811326785.db2.gz JGPDZJKZIDEFSK-NWANDNLSSA-N 1 0 278.352 2.063 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccnc3)CC2)C1 ZINC001168998865 811327258 /nfs/dbraw/zinc/32/72/58/811327258.db2.gz QRFPMNBINRUFBG-DZGCQCFKSA-N 1 0 289.379 2.439 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999400 811327467 /nfs/dbraw/zinc/32/74/67/811327467.db2.gz SQRKWLVUWYOARG-MFKMUULPSA-N 1 0 280.299 2.043 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001169000895 811327974 /nfs/dbraw/zinc/32/79/74/811327974.db2.gz ZCXJWZLYIOYLOA-NWDGAFQWSA-N 1 0 278.356 2.143 20 5 CEBDRO [NH3+]CCN(c1ccc(F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999765 811329439 /nfs/dbraw/zinc/32/94/39/811329439.db2.gz VLUXTGCGELUBFG-BXUZGUMPSA-N 1 0 281.331 2.036 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccc(F)cn23)C1 ZINC001169005326 811330006 /nfs/dbraw/zinc/33/00/06/811330006.db2.gz ANHXVGUQYLPAFE-CMPLNLGQSA-N 1 0 292.314 2.008 20 5 CEBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001169005904 811330962 /nfs/dbraw/zinc/33/09/62/811330962.db2.gz VSBCSKDURFKDKP-GXSJLCMTSA-N 1 0 267.304 2.142 20 5 CEBDRO O=c1[nH]c2cc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc2o1 ZINC001169006553 811331407 /nfs/dbraw/zinc/33/14/07/811331407.db2.gz YTDFKJGLRXUAIB-GHMZBOCLSA-N 1 0 291.307 2.068 20 5 CEBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@@H]12 ZINC001169007587 811332165 /nfs/dbraw/zinc/33/21/65/811332165.db2.gz OIBNIIQAQUOFNJ-REWJHTLYSA-N 1 0 280.368 2.265 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001169010925 811334839 /nfs/dbraw/zinc/33/48/39/811334839.db2.gz GFCQNNDHCBHTLH-ZDCRXTMVSA-N 1 0 260.284 2.019 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168988621 811338307 /nfs/dbraw/zinc/33/83/07/811338307.db2.gz SYUPYPPXRNGXAY-ZYHUDNBSSA-N 1 0 282.315 2.369 20 5 CEBDRO CC(C)(F)c1ncncc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168989837 811339063 /nfs/dbraw/zinc/33/90/63/811339063.db2.gz WYQOMHDFMNUTLK-CMPLNLGQSA-N 1 0 296.346 2.216 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034168 811347532 /nfs/dbraw/zinc/34/75/32/811347532.db2.gz FTQIBGMCNBALEU-AGIUHOORSA-N 1 0 298.383 2.238 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001169038940 811348616 /nfs/dbraw/zinc/34/86/16/811348616.db2.gz LRXQGVVFTDPAFL-UONOGXRCSA-N 1 0 282.384 2.324 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(C(F)F)CC2)C1 ZINC001169038257 811348883 /nfs/dbraw/zinc/34/88/83/811348883.db2.gz XMAZBONIJFHESH-GXSJLCMTSA-N 1 0 262.300 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001169038939 811349736 /nfs/dbraw/zinc/34/97/36/811349736.db2.gz LRXQGVVFTDPAFL-KGLIPLIRSA-N 1 0 282.384 2.324 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2CN2CCCC2)C1 ZINC001169023806 811353919 /nfs/dbraw/zinc/35/39/19/811353919.db2.gz FJIVZHMCZAYNSQ-OAGGEKHMSA-N 1 0 295.427 2.382 20 5 CEBDRO COC(=O)CC[N@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026332 811355558 /nfs/dbraw/zinc/35/55/58/811355558.db2.gz KWVLLVLISBOIPQ-JSGCOSHPSA-N 1 0 298.383 2.240 20 5 CEBDRO CCCCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023820 811355719 /nfs/dbraw/zinc/35/57/19/811355719.db2.gz FLCFQHBCFAQITM-LSDHHAIUSA-N 1 0 283.416 2.240 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ncc(C(C)(C)C)cc2[N+](=O)[O-])n1 ZINC001169227657 811440339 /nfs/dbraw/zinc/44/03/39/811440339.db2.gz DNGLSTDXKQTWPY-VIFPVBQESA-N 1 0 289.339 2.493 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1COCCN1C ZINC001169653756 811607553 /nfs/dbraw/zinc/60/75/53/811607553.db2.gz KVWVOAHIKYPZQU-INIZCTEOSA-N 1 0 292.447 2.025 20 5 CEBDRO [NH3+]Cc1ccn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001169725894 811628176 /nfs/dbraw/zinc/62/81/76/811628176.db2.gz LUJXBATTWJKASV-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000771287903 811954527 /nfs/dbraw/zinc/95/45/27/811954527.db2.gz NFSMVNPMTHJCCC-ZJUUUORDSA-N 1 0 267.304 2.263 20 5 CEBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1COCC[NH2+]1 ZINC001170041671 811990156 /nfs/dbraw/zinc/99/01/56/811990156.db2.gz KEAYDPYSSLAGSK-AWEZNQCLSA-N 1 0 294.358 2.183 20 5 CEBDRO c1cnc2c(c1)cc(NC[C@H]1COCC[NH2+]1)c1cccnc12 ZINC001170045206 811998519 /nfs/dbraw/zinc/99/85/19/811998519.db2.gz RTBDPXHBCLJAQP-ZDUSSCGKSA-N 1 0 294.358 2.183 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001157266730 812063976 /nfs/dbraw/zinc/06/39/76/812063976.db2.gz WJPSCQFUQACBRC-GXSJLCMTSA-N 1 0 296.758 2.174 20 5 CEBDRO COc1ccc(C[C@@H](C)n2ccc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170295648 812375784 /nfs/dbraw/zinc/37/57/84/812375784.db2.gz DBNHNAWFCLLHES-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170298375 812377303 /nfs/dbraw/zinc/37/73/03/812377303.db2.gz KLFDKFDLXCUZFX-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC001170327416 812387088 /nfs/dbraw/zinc/38/70/88/812387088.db2.gz QQQDPRYISOWRMQ-XHDPSFHLSA-N 1 0 294.351 2.303 20 5 CEBDRO C/C(=C\C(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752499840 812463525 /nfs/dbraw/zinc/46/35/25/812463525.db2.gz LJSOCPBXCJQRKP-VAWYXSNFSA-N 1 0 291.351 2.018 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001254538616 812478587 /nfs/dbraw/zinc/47/85/87/812478587.db2.gz XFIRDAYMSMFCMF-MPKXVKKWSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](C[NH+](C)C)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000380798639 812566394 /nfs/dbraw/zinc/56/63/94/812566394.db2.gz OADOHBKQEHOWQM-ZETCQYMHSA-N 1 0 260.240 2.202 20 5 CEBDRO CN(CC[NH3+])CCNc1cc2cccnc2c2ncccc12 ZINC001170502693 812584762 /nfs/dbraw/zinc/58/47/62/812584762.db2.gz JNQINJFOQJLOEU-UHFFFAOYSA-N 1 0 295.390 2.085 20 5 CEBDRO CCC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904260 815540831 /nfs/dbraw/zinc/54/08/31/815540831.db2.gz VUYRRNKKNHHZRU-ZDUSSCGKSA-N 1 0 276.336 2.411 20 5 CEBDRO CN1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895409 815543100 /nfs/dbraw/zinc/54/31/00/815543100.db2.gz CRNAYPUMTDEWKV-GJZGRUSLSA-N 1 0 289.379 2.136 20 5 CEBDRO C[N@H+](CC1COC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914542 815543954 /nfs/dbraw/zinc/54/39/54/815543954.db2.gz HNYYNBSDPNSDMM-HNNXBMFYSA-N 1 0 290.363 2.420 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000714653288 814912282 /nfs/dbraw/zinc/91/22/82/814912282.db2.gz AGEKSMJTZUAWRV-CZMCAQCFSA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnn1 ZINC001173215630 815623134 /nfs/dbraw/zinc/62/31/34/815623134.db2.gz XMINDVFSLNKXPW-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO CCOC(=O)CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219195 815624740 /nfs/dbraw/zinc/62/47/40/815624740.db2.gz YRJZKQMPGVIXGU-LBPRGKRZSA-N 1 0 294.351 2.459 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173217846 815624942 /nfs/dbraw/zinc/62/49/42/815624942.db2.gz MRYFVVPAKCCFRF-RAIGVLPGSA-N 1 0 292.335 2.067 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2c1C[NH2+]CC2 ZINC001173220787 815625940 /nfs/dbraw/zinc/62/59/40/815625940.db2.gz CKYWDBZNOKHJMR-NSHDSACASA-N 1 0 286.335 2.241 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC001173222856 815627770 /nfs/dbraw/zinc/62/77/70/815627770.db2.gz ZXCQAFOPMZVMOS-HONMWMINSA-N 1 0 278.352 2.275 20 5 CEBDRO COCC1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173223534 815628223 /nfs/dbraw/zinc/62/82/23/815628223.db2.gz ASNSRWCQWXSDTN-NSHDSACASA-N 1 0 264.325 2.104 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnccn1 ZINC001173228621 815630712 /nfs/dbraw/zinc/63/07/12/815630712.db2.gz YIROMZPDCKGQJR-GFCCVEGCSA-N 1 0 286.335 2.448 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC001173228461 815631127 /nfs/dbraw/zinc/63/11/27/815631127.db2.gz XEOIFPFTGUVUKF-XJKSGUPXSA-N 1 0 289.379 2.306 20 5 CEBDRO COC[C@H]1CC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232499 815632030 /nfs/dbraw/zinc/63/20/30/815632030.db2.gz BUXFNGDLZUDCTL-BXUZGUMPSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001173234001 815632856 /nfs/dbraw/zinc/63/28/56/815632856.db2.gz NUFMKOYCCXFJOO-OSAQELSMSA-N 1 0 276.336 2.247 20 5 CEBDRO Cc1nonc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213499 815636703 /nfs/dbraw/zinc/63/67/03/815636703.db2.gz HXRVMANVWNKTAR-SECBINFHSA-N 1 0 276.296 2.007 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000449080631 282092251 /nfs/dbraw/zinc/09/22/51/282092251.db2.gz XVKGYBJPRDZGBN-RYUDHWBXSA-N 1 0 264.325 2.152 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127764720 187331899 /nfs/dbraw/zinc/33/18/99/187331899.db2.gz FYELLIBZWINLJD-CYBMUJFWSA-N 1 0 297.330 2.179 20 5 CEBDRO [NH3+]Cc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000601324927 346821100 /nfs/dbraw/zinc/82/11/00/346821100.db2.gz QTEJDIAWPKRZLS-UHFFFAOYSA-N 1 0 299.330 2.453 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335616 346824781 /nfs/dbraw/zinc/82/47/81/346824781.db2.gz WKWFIAYNUHWBFZ-DZGCQCFKSA-N 1 0 275.352 2.169 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793828 361858208 /nfs/dbraw/zinc/85/82/08/361858208.db2.gz TVGQGTYRBGLZDJ-MNOVXSKESA-N 1 0 279.340 2.031 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038049432 361985161 /nfs/dbraw/zinc/98/51/61/361985161.db2.gz GVUTXFTZWWAJNN-GHMZBOCLSA-N 1 0 297.742 2.248 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040777405 361998424 /nfs/dbraw/zinc/99/84/24/361998424.db2.gz DTNWABOCNKHGQA-ZDUSSCGKSA-N 1 0 266.341 2.134 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000041677379 362046171 /nfs/dbraw/zinc/04/61/71/362046171.db2.gz FZSCXRNCQYFXBI-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126445751 187240219 /nfs/dbraw/zinc/24/02/19/187240219.db2.gz DFFYWRXGCDQRPV-AWEZNQCLSA-N 1 0 264.325 2.152 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042821298 362122354 /nfs/dbraw/zinc/12/23/54/362122354.db2.gz MRSOFXZDFZIGDX-LBPRGKRZSA-N 1 0 280.324 2.262 20 5 CEBDRO CCOCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000046036873 362173818 /nfs/dbraw/zinc/17/38/18/362173818.db2.gz VHVQNITYGLJZOQ-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO O=C(CC[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000026155521 343389331 /nfs/dbraw/zinc/38/93/31/343389331.db2.gz DXTOISBVSXEAPH-UHFFFAOYSA-N 1 0 277.324 2.409 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031099347 343406993 /nfs/dbraw/zinc/40/69/93/343406993.db2.gz CZKWICLRFSTMIJ-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO CNc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000042739441 343455156 /nfs/dbraw/zinc/45/51/56/343455156.db2.gz JUMYPEWOFDQCIF-UHFFFAOYSA-N 1 0 290.308 2.484 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000047873395 362228702 /nfs/dbraw/zinc/22/87/02/362228702.db2.gz XSZAPOPBFPBSNZ-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041911590 343444241 /nfs/dbraw/zinc/44/42/41/343444241.db2.gz ULQLRQWFVKXNAH-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000045802199 343488827 /nfs/dbraw/zinc/48/88/27/343488827.db2.gz SLGCZRFXGKBWEO-LBPRGKRZSA-N 1 0 295.387 2.251 20 5 CEBDRO CC(C)C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000049969322 343540006 /nfs/dbraw/zinc/54/00/06/343540006.db2.gz NKQNJIWAIDIAJE-UHFFFAOYSA-N 1 0 277.368 2.368 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CC3CC3)CC2)cs1 ZINC000054255597 343586800 /nfs/dbraw/zinc/58/68/00/343586800.db2.gz WREQZEVYHJHXID-UHFFFAOYSA-N 1 0 281.381 2.184 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295054649 199322379 /nfs/dbraw/zinc/32/23/79/199322379.db2.gz BIDMARPMTSLSHK-JTQLQIEISA-N 1 0 252.314 2.186 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000059891834 343654773 /nfs/dbraw/zinc/65/47/73/343654773.db2.gz UIWQQANDCHAZMO-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000065223226 343696025 /nfs/dbraw/zinc/69/60/25/343696025.db2.gz LLWXVYQWPIJQNS-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000602133020 346980760 /nfs/dbraw/zinc/98/07/60/346980760.db2.gz NJKXTYNHFKNDIU-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000602174775 346988528 /nfs/dbraw/zinc/98/85/28/346988528.db2.gz UEZTUMBRHVZQFW-CHWSQXEVSA-N 1 0 291.351 2.053 20 5 CEBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000075668983 343861777 /nfs/dbraw/zinc/86/17/77/343861777.db2.gz MSTBLDVPSCJHBI-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO CC[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000075677189 343862269 /nfs/dbraw/zinc/86/22/69/343862269.db2.gz JIAYVFRNPTZEFW-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000076776112 343897988 /nfs/dbraw/zinc/89/79/88/343897988.db2.gz GQLJBWGFKXLGIM-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000077656662 343928555 /nfs/dbraw/zinc/92/85/55/343928555.db2.gz CDCDNVDNQHRYDN-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078583697 343958195 /nfs/dbraw/zinc/95/81/95/343958195.db2.gz VNJSKNXMRRRLJM-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1cnc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078632017 343959316 /nfs/dbraw/zinc/95/93/16/343959316.db2.gz UAHGFLQYFFPTHP-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000127141925 187285490 /nfs/dbraw/zinc/28/54/90/187285490.db2.gz PZLDMEGLQJHHOJ-KBPBESRZSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)c1 ZINC000088700431 344112833 /nfs/dbraw/zinc/11/28/33/344112833.db2.gz BJTKSDGGIZSOBX-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000091461284 344164364 /nfs/dbraw/zinc/16/43/64/344164364.db2.gz ZCLGCVHANTXZRC-UHFFFAOYSA-N 1 0 295.339 2.053 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C1CC1 ZINC000091459859 344164477 /nfs/dbraw/zinc/16/44/77/344164477.db2.gz VUDITFFSWOARDR-UHFFFAOYSA-N 1 0 279.340 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000091482577 344164885 /nfs/dbraw/zinc/16/48/85/344164885.db2.gz UBGVHJXIWLLCTN-ZDUSSCGKSA-N 1 0 261.325 2.491 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929705 344131735 /nfs/dbraw/zinc/13/17/35/344131735.db2.gz ZFMZIKBIHGLCRX-MNOVXSKESA-N 1 0 282.315 2.327 20 5 CEBDRO COC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000090910108 344146519 /nfs/dbraw/zinc/14/65/19/344146519.db2.gz QQCCONFZMCOCOJ-CQSZACIVSA-N 1 0 266.341 2.398 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602443918 347035696 /nfs/dbraw/zinc/03/56/96/347035696.db2.gz BDCHMKQSUHTZMH-CQSZACIVSA-N 1 0 293.367 2.017 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000129670479 344346189 /nfs/dbraw/zinc/34/61/89/344346189.db2.gz AOROVKBPSZADIT-BIMULSAOSA-N 1 0 264.325 2.405 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000133773676 344370668 /nfs/dbraw/zinc/37/06/68/344370668.db2.gz QQSAJZNXDOEJJJ-NSHDSACASA-N 1 0 279.340 2.357 20 5 CEBDRO CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602472715 347047919 /nfs/dbraw/zinc/04/79/19/347047919.db2.gz JSNXBBPFDATOPL-LLVKDONJSA-N 1 0 266.345 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000142893881 344404006 /nfs/dbraw/zinc/40/40/06/344404006.db2.gz AHQPRQMFQORCQU-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000164983990 344473321 /nfs/dbraw/zinc/47/33/21/344473321.db2.gz UURSGVGYMWAKHW-SNVBAGLBSA-N 1 0 290.279 2.078 20 5 CEBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170733174 344489235 /nfs/dbraw/zinc/48/92/35/344489235.db2.gz FHJIYLVQDCTDEI-GFCCVEGCSA-N 1 0 291.351 2.072 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227331353 344552286 /nfs/dbraw/zinc/55/22/86/344552286.db2.gz JKZZDQAHGAOBAI-ONGXEEELSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602499711 347058789 /nfs/dbraw/zinc/05/87/89/347058789.db2.gz KPRRSBOFNXURJE-LLVKDONJSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734994 282346251 /nfs/dbraw/zinc/34/62/51/282346251.db2.gz FKSBXUYOQZACPZ-GXTWGEPZSA-N 1 0 264.325 2.154 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000449741508 282348747 /nfs/dbraw/zinc/34/87/47/282348747.db2.gz VEDWBCJOMXYUHU-CQSZACIVSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517177 347064164 /nfs/dbraw/zinc/06/41/64/347064164.db2.gz XAPDAGTWAADIQT-NSHDSACASA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000310763842 344731578 /nfs/dbraw/zinc/73/15/78/344731578.db2.gz QGUGBJFEKCGEKT-MRVPVSSYSA-N 1 0 272.736 2.395 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445303 344742242 /nfs/dbraw/zinc/74/22/42/344742242.db2.gz BDUINTVHMWQDMM-YGRLFVJLSA-N 1 0 281.331 2.293 20 5 CEBDRO CCC[C@@H]([NH2+]C1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000314484975 344746026 /nfs/dbraw/zinc/74/60/26/344746026.db2.gz ICGTUQCTLMITEQ-OAHLLOKOSA-N 1 0 294.351 2.441 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000305741365 344710916 /nfs/dbraw/zinc/71/09/16/344710916.db2.gz ZRBOVFTXKRTQGI-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602573226 347083550 /nfs/dbraw/zinc/08/35/50/347083550.db2.gz ZGBLJITXTUIODD-NWDGAFQWSA-N 1 0 296.371 2.012 20 5 CEBDRO Cc1c(C[NH+]2CCC(CCO)CC2)cccc1[N+](=O)[O-] ZINC000401089919 344866468 /nfs/dbraw/zinc/86/64/68/344866468.db2.gz UENBWDWPYUZJSE-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301022 344872233 /nfs/dbraw/zinc/87/22/33/344872233.db2.gz JPKQSESOGLSPPT-FOGDFJRCSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220524 344878569 /nfs/dbraw/zinc/87/85/69/344878569.db2.gz XFERUQJARBZQTD-DOMZBBRYSA-N 1 0 294.351 2.095 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000584745667 344982675 /nfs/dbraw/zinc/98/26/75/344982675.db2.gz PNTMRLPQPNRLSA-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC(C)C)c1 ZINC000589494524 345084576 /nfs/dbraw/zinc/08/45/76/345084576.db2.gz WRFCQXMJVKEOJF-UHFFFAOYSA-N 1 0 280.324 2.469 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589113290 345066607 /nfs/dbraw/zinc/06/66/07/345066607.db2.gz ILRDWKLHEKTYMF-JTQLQIEISA-N 1 0 296.758 2.318 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H]2C)c1 ZINC000590375316 345131548 /nfs/dbraw/zinc/13/15/48/345131548.db2.gz HJPFKCYTMNIBKM-NXEZZACHSA-N 1 0 278.308 2.222 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C1)CC[NH+](C)CC2 ZINC000590567895 345145726 /nfs/dbraw/zinc/14/57/26/345145726.db2.gz NXEMNFZDYMGAHK-UHFFFAOYSA-N 1 0 290.367 2.220 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590566678 345145994 /nfs/dbraw/zinc/14/59/94/345145994.db2.gz PCFMQTSKGSSLBG-VXGBXAGGSA-N 1 0 291.351 2.068 20 5 CEBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591428406 345251206 /nfs/dbraw/zinc/25/12/06/345251206.db2.gz BJPPVIPLWBLMHP-GXFFZTMASA-N 1 0 286.335 2.317 20 5 CEBDRO CCC[C@@H](NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580556 345266907 /nfs/dbraw/zinc/26/69/07/345266907.db2.gz AACRBPYGADDXMP-GXFFZTMASA-N 1 0 251.330 2.373 20 5 CEBDRO Cc1ccc(CN2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592432828 345352467 /nfs/dbraw/zinc/35/24/67/345352467.db2.gz WIMXLLCENAVDSZ-CQSZACIVSA-N 1 0 277.368 2.333 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1CC1 ZINC000049238114 232177697 /nfs/dbraw/zinc/17/76/97/232177697.db2.gz RGIWNSGFJGXXQB-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593207481 345453631 /nfs/dbraw/zinc/45/36/31/345453631.db2.gz HWWORTMELZFJCN-UHFFFAOYSA-N 1 0 293.367 2.303 20 5 CEBDRO C[C@@H](CO)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080795 345434490 /nfs/dbraw/zinc/43/44/90/345434490.db2.gz ACRAEBYCQUHSLB-LBPRGKRZSA-N 1 0 278.352 2.435 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000593229921 345455734 /nfs/dbraw/zinc/45/57/34/345455734.db2.gz RNBPQBFQJNGOTJ-IAQYHMDHSA-N 1 0 298.346 2.331 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127436689 187306004 /nfs/dbraw/zinc/30/60/04/187306004.db2.gz DDIFGKYZHYRUJP-RZIFZGNASA-N 1 0 291.351 2.098 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1(CO)CCC1 ZINC000593692482 345521651 /nfs/dbraw/zinc/52/16/51/345521651.db2.gz ALXWCCWPERGGRR-UHFFFAOYSA-N 1 0 264.325 2.237 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733301 345529791 /nfs/dbraw/zinc/52/97/91/345529791.db2.gz LENPBAYCYYOGAB-RISCZKNCSA-N 1 0 293.367 2.250 20 5 CEBDRO Cc1ccc(NC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593759267 345533677 /nfs/dbraw/zinc/53/36/77/345533677.db2.gz VVUZKDQEJDTYDT-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000594389216 345620041 /nfs/dbraw/zinc/62/00/41/345620041.db2.gz GTXWMFLWAMKTLU-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCn3ccnc32)c1 ZINC000594502398 345638859 /nfs/dbraw/zinc/63/88/59/345638859.db2.gz NQHNPANTEUFOFC-AWEZNQCLSA-N 1 0 286.335 2.459 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCO2)n1 ZINC000595071141 345739436 /nfs/dbraw/zinc/73/94/36/345739436.db2.gz QAONDLKXNZTAEY-AVGNSLFASA-N 1 0 294.355 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CCC3)CC2)cn1 ZINC000595288588 345754637 /nfs/dbraw/zinc/75/46/37/345754637.db2.gz PDRICPSLXBVIHL-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000594957813 345716533 /nfs/dbraw/zinc/71/65/33/345716533.db2.gz UZGWZXYQIFVULS-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594981876 345721455 /nfs/dbraw/zinc/72/14/55/345721455.db2.gz BLLZWDUAGGVJNA-CQSZACIVSA-N 1 0 278.352 2.401 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594983953 345721572 /nfs/dbraw/zinc/72/15/72/345721572.db2.gz RXDMMZDRFFVZMF-LBPRGKRZSA-N 1 0 264.325 2.093 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000595008777 345725443 /nfs/dbraw/zinc/72/54/43/345725443.db2.gz QQCPZDMYTQXRGP-MFKMUULPSA-N 1 0 282.340 2.271 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539948 345806373 /nfs/dbraw/zinc/80/63/73/345806373.db2.gz FJCDIGPNRXQLNF-JQWIXIFHSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595340857 345765074 /nfs/dbraw/zinc/76/50/74/345765074.db2.gz YBLOGDZYJBRCHC-SNVBAGLBSA-N 1 0 253.302 2.369 20 5 CEBDRO CCC[NH+]1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595347292 345766563 /nfs/dbraw/zinc/76/65/63/345766563.db2.gz PXYOHBJRFFJTJM-UHFFFAOYSA-N 1 0 296.371 2.197 20 5 CEBDRO Cc1noc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523137 345803510 /nfs/dbraw/zinc/80/35/10/345803510.db2.gz IKZAVLIAGOFYEN-DGCLKSJQSA-N 1 0 299.371 2.270 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826865 345887637 /nfs/dbraw/zinc/88/76/37/345887637.db2.gz KKLVPCODTBTBFO-STQMWFEESA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595748860 345865467 /nfs/dbraw/zinc/86/54/67/345865467.db2.gz ITEUSKMFHSYEKY-GHMZBOCLSA-N 1 0 264.325 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595749942 345865541 /nfs/dbraw/zinc/86/55/41/345865541.db2.gz ITBIZWXGNNKYIE-OAHLLOKOSA-N 1 0 276.336 2.332 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595755646 345867564 /nfs/dbraw/zinc/86/75/64/345867564.db2.gz CBJGKVJBEWEHSP-ZFWWWQNUSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757374 345868782 /nfs/dbraw/zinc/86/87/82/345868782.db2.gz JENHJYGREWHHHS-FZMZJTMJSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757999 345869518 /nfs/dbraw/zinc/86/95/18/345869518.db2.gz LSHBRTNVSHLSGF-WFASDCNBSA-N 1 0 292.335 2.072 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595811038 345881698 /nfs/dbraw/zinc/88/16/98/345881698.db2.gz RUFSKVGRUGBMTP-VXGBXAGGSA-N 1 0 262.309 2.445 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595904927 345910628 /nfs/dbraw/zinc/91/06/28/345910628.db2.gz GHKQNUJQLOHCHY-LERXQTSPSA-N 1 0 281.331 2.335 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595951836 345917369 /nfs/dbraw/zinc/91/73/69/345917369.db2.gz TUGNPPDTWYXNIN-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1nccn1C ZINC000596544109 346050907 /nfs/dbraw/zinc/05/09/07/346050907.db2.gz YLTFGVFRDARNAS-MRVPVSSYSA-N 1 0 278.316 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596553407 346053326 /nfs/dbraw/zinc/05/33/26/346053326.db2.gz RWXVOKQGXYTARG-CQSZACIVSA-N 1 0 298.346 2.098 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596453339 346027631 /nfs/dbraw/zinc/02/76/31/346027631.db2.gz JONYVMFGUUWYER-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596636505 346069157 /nfs/dbraw/zinc/06/91/57/346069157.db2.gz MTCLNIKQWJFBAZ-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652819 346072085 /nfs/dbraw/zinc/07/20/85/346072085.db2.gz IKFZRAZGWCENHN-GHMZBOCLSA-N 1 0 251.330 2.162 20 5 CEBDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655721 346073296 /nfs/dbraw/zinc/07/32/96/346073296.db2.gz XSOCIKHYEOKCBY-GWCFXTLKSA-N 1 0 251.330 2.243 20 5 CEBDRO Cc1nc[nH]c1CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597666040 346212433 /nfs/dbraw/zinc/21/24/33/346212433.db2.gz HWZYVHKKPNXVPO-UHFFFAOYSA-N 1 0 288.307 2.424 20 5 CEBDRO COC(=O)C1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000295132038 199362882 /nfs/dbraw/zinc/36/28/82/199362882.db2.gz CNOBKDZGTVCDGH-UHFFFAOYSA-N 1 0 292.335 2.022 20 5 CEBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000598682890 346400418 /nfs/dbraw/zinc/40/04/18/346400418.db2.gz QEZDGYIPUHHLEA-HZMBPMFUSA-N 1 0 279.315 2.047 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645114 346391140 /nfs/dbraw/zinc/39/11/40/346391140.db2.gz DREPUWVESRPLBS-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644996 346391267 /nfs/dbraw/zinc/39/12/67/346391267.db2.gz CMHPRKPJTKUYPF-YPMHNXCESA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644993 346391278 /nfs/dbraw/zinc/39/12/78/346391278.db2.gz CMHPRKPJTKUYPF-AAEUAGOBSA-N 1 0 264.325 2.045 20 5 CEBDRO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000351730706 219189539 /nfs/dbraw/zinc/18/95/39/219189539.db2.gz QUIHFVDIJQHZOI-UHFFFAOYSA-N 1 0 299.321 2.399 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916015 346433730 /nfs/dbraw/zinc/43/37/30/346433730.db2.gz SUSYJVWSVUNJFZ-RKDXNWHRSA-N 1 0 296.302 2.077 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](OC)C1 ZINC000599091863 346459224 /nfs/dbraw/zinc/45/92/24/346459224.db2.gz HDQDFJXAQTXCPJ-CKYFFXLPSA-N 1 0 280.324 2.431 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000599141809 346466916 /nfs/dbraw/zinc/46/69/16/346466916.db2.gz RLIJZDFJYVTCHW-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000599355155 346505531 /nfs/dbraw/zinc/50/55/31/346505531.db2.gz VHPUXBFPIVPJTR-GFCCVEGCSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1cc(C(=O)NC2(C[NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000602603901 347096420 /nfs/dbraw/zinc/09/64/20/347096420.db2.gz SQHQBLAKTRWXAA-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(C)COC1 ZINC000599573041 346540642 /nfs/dbraw/zinc/54/06/42/346540642.db2.gz LSQSKMAUKGJNFD-UHFFFAOYSA-N 1 0 268.288 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000599632177 346549755 /nfs/dbraw/zinc/54/97/55/346549755.db2.gz ZOJKAFWKONPUNG-LAPQFRIASA-N 1 0 294.376 2.080 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C23CCC3)cs1 ZINC000600677923 346671832 /nfs/dbraw/zinc/67/18/32/346671832.db2.gz DLAYNKVVWJPQLH-SNVBAGLBSA-N 1 0 267.354 2.031 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810052 365848633 /nfs/dbraw/zinc/84/86/33/365848633.db2.gz GYBXBBFNMOBQCV-NOZJJQNGSA-N 1 0 268.288 2.391 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000600713707 346676583 /nfs/dbraw/zinc/67/65/83/346676583.db2.gz DIPRQJRKZKXWCT-AWEZNQCLSA-N 1 0 263.341 2.025 20 5 CEBDRO Cc1c(CN2CC[NH2+]C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000600714462 346676701 /nfs/dbraw/zinc/67/67/01/346676701.db2.gz MQMLXPBERFBFPT-OAHLLOKOSA-N 1 0 277.368 2.333 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715486 346676740 /nfs/dbraw/zinc/67/67/40/346676740.db2.gz YWRDGGOMNNTSMB-NTZNESFSSA-N 1 0 263.341 2.304 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000600713708 346676795 /nfs/dbraw/zinc/67/67/95/346676795.db2.gz DIPRQJRKZKXWCT-CQSZACIVSA-N 1 0 263.341 2.025 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601121147 346759291 /nfs/dbraw/zinc/75/92/91/346759291.db2.gz LKINSHISFDBJSU-LBPRGKRZSA-N 1 0 296.346 2.440 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c(Cl)c1 ZINC000601140146 346766923 /nfs/dbraw/zinc/76/69/23/346766923.db2.gz RUDLWJYWGFAUNW-WAAGHKOSSA-N 1 0 270.716 2.109 20 5 CEBDRO CC[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000601170783 346776554 /nfs/dbraw/zinc/77/65/54/346776554.db2.gz FIZVDHGUFIPTIV-CABZTGNLSA-N 1 0 275.308 2.136 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601040634 346738147 /nfs/dbraw/zinc/73/81/47/346738147.db2.gz YHEQKJTZPHGXFB-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601108597 346754552 /nfs/dbraw/zinc/75/45/52/346754552.db2.gz KOUCPUXTXUSOJS-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO CCOC(=O)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602620077 347106366 /nfs/dbraw/zinc/10/63/66/347106366.db2.gz UDJPQUOAGSNCCO-UHFFFAOYSA-N 1 0 292.335 2.070 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619723 347106589 /nfs/dbraw/zinc/10/65/89/347106589.db2.gz PWWKGTUSYGCPFN-YWVDXFKGSA-N 1 0 264.325 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)c2ccncc21 ZINC000601194246 346783351 /nfs/dbraw/zinc/78/33/51/346783351.db2.gz WFQSDAAVIXQIBF-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC([NH+]2CCCC2)C1 ZINC000601194262 346783529 /nfs/dbraw/zinc/78/35/29/346783529.db2.gz WLSHHEZJFQBPAC-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CC[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000601203852 346786870 /nfs/dbraw/zinc/78/68/70/346786870.db2.gz WWBOPOMDMUSDGQ-DTWKUNHWSA-N 1 0 255.343 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CC4)CC2)cn1 ZINC000602693257 347150552 /nfs/dbraw/zinc/15/05/52/347150552.db2.gz DNWOTSSBFAVLNV-ZDUSSCGKSA-N 1 0 288.351 2.101 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602693348 347151595 /nfs/dbraw/zinc/15/15/95/347151595.db2.gz FQHSXFVXJZPNRG-JTQLQIEISA-N 1 0 293.323 2.498 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000602775311 347193184 /nfs/dbraw/zinc/19/31/84/347193184.db2.gz HHHGAGRVVKXFEF-QWRGUYRKSA-N 1 0 266.345 2.363 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784098 347197313 /nfs/dbraw/zinc/19/73/13/347197313.db2.gz MTISHLDOMXDIOY-SNVBAGLBSA-N 1 0 254.334 2.078 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798273 347202858 /nfs/dbraw/zinc/20/28/58/347202858.db2.gz NIPKEDZKDJWATB-ZYHUDNBSSA-N 1 0 266.345 2.363 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602809316 347208494 /nfs/dbraw/zinc/20/84/94/347208494.db2.gz ATCIQBCTDUTDSN-JFGNBEQYSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nccs1 ZINC000602809875 347209097 /nfs/dbraw/zinc/20/90/97/347209097.db2.gz JDJTVZVBHGFQOE-SNVBAGLBSA-N 1 0 295.368 2.297 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814698 347211006 /nfs/dbraw/zinc/21/10/06/347211006.db2.gz NCQXTDZLRVZOQG-PWSUYJOCSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000602817066 347211944 /nfs/dbraw/zinc/21/19/44/347211944.db2.gz SBKCOIXLVXRXIQ-IJLUTSLNSA-N 1 0 280.372 2.466 20 5 CEBDRO C[C@H]1OCC[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602830993 347216401 /nfs/dbraw/zinc/21/64/01/347216401.db2.gz NOJIILJZTRIMPE-TZMCWYRMSA-N 1 0 278.352 2.494 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000065223029 362804826 /nfs/dbraw/zinc/80/48/26/362804826.db2.gz HUYGZMZVIMICDN-UHFFFAOYSA-N 1 0 268.338 2.022 20 5 CEBDRO CCCCOCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965595 347258375 /nfs/dbraw/zinc/25/83/75/347258375.db2.gz JIBCMXCXKYDXOC-HNNXBMFYSA-N 1 0 296.367 2.209 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000602983339 347266039 /nfs/dbraw/zinc/26/60/39/347266039.db2.gz ICXQVWCIRORDMT-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ccc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000603418220 347364984 /nfs/dbraw/zinc/36/49/84/347364984.db2.gz DNTBGTNTERNERJ-SNVBAGLBSA-N 1 0 267.354 2.020 20 5 CEBDRO C[C@H](N[C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435783 347370388 /nfs/dbraw/zinc/37/03/88/347370388.db2.gz ZFMYWULDRMUKQV-XDTLVQLUSA-N 1 0 263.341 2.371 20 5 CEBDRO CC1(C)C[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604532828 347420017 /nfs/dbraw/zinc/42/00/17/347420017.db2.gz NYFKCJDYHPDKFR-CYBMUJFWSA-N 1 0 278.308 2.254 20 5 CEBDRO CN1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836140 347622313 /nfs/dbraw/zinc/62/23/13/347622313.db2.gz SBZLAYQSWKKYQX-ZBKLQPJUSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3C=CCCC3)CC2)cn1 ZINC000609417417 347638984 /nfs/dbraw/zinc/63/89/84/347638984.db2.gz HZSNWMOVDZDLEF-ZDUSSCGKSA-N 1 0 288.351 2.221 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833614 347652351 /nfs/dbraw/zinc/65/23/51/347652351.db2.gz OYFQFYBTBXNUAV-ZDUSSCGKSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538829 347690491 /nfs/dbraw/zinc/69/04/91/347690491.db2.gz GUOZHSFWUYTPHZ-CHWSQXEVSA-N 1 0 294.351 2.299 20 5 CEBDRO C[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000610656619 347698705 /nfs/dbraw/zinc/69/87/05/347698705.db2.gz WYBFJHHMGKYILO-UWVGGRQHSA-N 1 0 262.313 2.027 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411979 347775627 /nfs/dbraw/zinc/77/56/27/347775627.db2.gz MMDQACGDTSIMMS-VIFPVBQESA-N 1 0 255.343 2.044 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000610990592 347727455 /nfs/dbraw/zinc/72/74/55/347727455.db2.gz BYQBUCUWDMQAKI-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992914 365914343 /nfs/dbraw/zinc/91/43/43/365914343.db2.gz JPLRSEKQMRRJSB-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCCO)C1CC1 ZINC000611271585 347761091 /nfs/dbraw/zinc/76/10/91/347761091.db2.gz FYOLSWMWHSXDFY-ZZXKWVIFSA-N 1 0 276.336 2.455 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000611616545 347799370 /nfs/dbraw/zinc/79/93/70/347799370.db2.gz ZEMKJFIWDZGZBX-ZDUSSCGKSA-N 1 0 292.383 2.385 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612745191 347923060 /nfs/dbraw/zinc/92/30/60/347923060.db2.gz DXKPLQAMDAFCEL-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO CC1(C)CCC[N@H+](CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000336942723 365956984 /nfs/dbraw/zinc/95/69/84/365956984.db2.gz ZLWHQHCRXQDLHX-UHFFFAOYSA-N 1 0 284.385 2.007 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCOC1 ZINC000273356375 192124853 /nfs/dbraw/zinc/12/48/53/192124853.db2.gz CDLXTLONCWILDI-CYBMUJFWSA-N 1 0 250.298 2.172 20 5 CEBDRO CSCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618561698 348976053 /nfs/dbraw/zinc/97/60/53/348976053.db2.gz OFVMACZHJLVTEZ-MNOVXSKESA-N 1 0 284.385 2.228 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(C3CCOCC3)C2)c1 ZINC000619726597 349230347 /nfs/dbraw/zinc/23/03/47/349230347.db2.gz NJFPORJQYWYVGB-UHFFFAOYSA-N 1 0 276.336 2.453 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000090502112 179993980 /nfs/dbraw/zinc/99/39/80/179993980.db2.gz LQXXYLHXLYLUKJ-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090539435 180000073 /nfs/dbraw/zinc/00/00/73/180000073.db2.gz YZJFNGDEOGUZCK-NSHDSACASA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412033177 233318528 /nfs/dbraw/zinc/31/85/28/233318528.db2.gz CPASINGBFJEWHJ-JTQLQIEISA-N 1 0 291.351 2.314 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](CC)CC1 ZINC000091557147 180190929 /nfs/dbraw/zinc/19/09/29/180190929.db2.gz JVXOTXJBQIPNHW-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091549312 180188980 /nfs/dbraw/zinc/18/89/80/180188980.db2.gz LLTPZCHHGWHGMP-NSHDSACASA-N 1 0 293.371 2.016 20 5 CEBDRO CC(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000092392610 180376215 /nfs/dbraw/zinc/37/62/15/180376215.db2.gz YBLKFIFQHDZSPX-LBPRGKRZSA-N 1 0 272.732 2.355 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000106469756 186120246 /nfs/dbraw/zinc/12/02/46/186120246.db2.gz QEKSWYLNXLDROD-LLVKDONJSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092455006 180389063 /nfs/dbraw/zinc/38/90/63/180389063.db2.gz IWPMVXUVSUHUDH-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107694768 186186781 /nfs/dbraw/zinc/18/67/81/186186781.db2.gz MIQSOKFRLSIZAQ-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107687966 186187007 /nfs/dbraw/zinc/18/70/07/186187007.db2.gz BWVOHTMRHFRJBQ-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504826 186257849 /nfs/dbraw/zinc/25/78/49/186257849.db2.gz MGCBMETYNLDRNM-HTQZYQBOSA-N 1 0 262.269 2.096 20 5 CEBDRO COc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000109804441 186273900 /nfs/dbraw/zinc/27/39/00/186273900.db2.gz FKEQJWNRCKOODP-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO O=C(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000069715822 362994396 /nfs/dbraw/zinc/99/43/96/362994396.db2.gz WYIAMPBZQOJYSV-UHFFFAOYSA-N 1 0 291.351 2.087 20 5 CEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352239403 219378474 /nfs/dbraw/zinc/37/84/74/219378474.db2.gz VPKJQYHGLPSMRK-CYBMUJFWSA-N 1 0 293.367 2.378 20 5 CEBDRO COc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074558 363027221 /nfs/dbraw/zinc/02/72/21/363027221.db2.gz STXNJAHNRFYBAJ-AAEUAGOBSA-N 1 0 293.367 2.163 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000070148842 363036807 /nfs/dbraw/zinc/03/68/07/363036807.db2.gz ZYRFWNRMHFNBJU-NSHDSACASA-N 1 0 269.370 2.360 20 5 CEBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070196124 363053465 /nfs/dbraw/zinc/05/34/65/363053465.db2.gz UGHZFGXBKZEPQR-CQSZACIVSA-N 1 0 283.331 2.485 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000070496193 363091158 /nfs/dbraw/zinc/09/11/58/363091158.db2.gz BKJDWBPTERZWNS-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO CC(=O)c1cc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291921903 198106555 /nfs/dbraw/zinc/10/65/55/198106555.db2.gz RPFNUHPJSUOZAM-SNVBAGLBSA-N 1 0 279.340 2.407 20 5 CEBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291984814 198125761 /nfs/dbraw/zinc/12/57/61/198125761.db2.gz WMGJZQYKEBUVTI-CQSZACIVSA-N 1 0 294.351 2.473 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072862481 363172971 /nfs/dbraw/zinc/17/29/71/363172971.db2.gz MIXULZKMJADATL-UHFFFAOYSA-N 1 0 294.355 2.304 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135203607 187806424 /nfs/dbraw/zinc/80/64/24/187806424.db2.gz VVOUUCHZVGRBIL-JQWIXIFHSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152548913 188028164 /nfs/dbraw/zinc/02/81/64/188028164.db2.gz VNAYQBQHMPCFIQ-YPMHNXCESA-N 1 0 264.325 2.330 20 5 CEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154471562 188144214 /nfs/dbraw/zinc/14/42/14/188144214.db2.gz FVCBKULEOPKSEV-KBPBESRZSA-N 1 0 296.392 2.456 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000292464341 198298200 /nfs/dbraw/zinc/29/82/00/198298200.db2.gz ZDEKOEXUNGNRKF-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295184183 199392663 /nfs/dbraw/zinc/39/26/63/199392663.db2.gz QCAQFMNEDSRQAU-NSHDSACASA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000271710166 191285873 /nfs/dbraw/zinc/28/58/73/191285873.db2.gz JKNHQQMMUJXDPO-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000074326091 363325344 /nfs/dbraw/zinc/32/53/44/363325344.db2.gz DYYPMUPDHKTATH-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451548028 283030536 /nfs/dbraw/zinc/03/05/36/283030536.db2.gz MALMZGHCHNGSQX-CYBMUJFWSA-N 1 0 264.325 2.157 20 5 CEBDRO CC[NH+](CC)CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075242324 363453344 /nfs/dbraw/zinc/45/33/44/363453344.db2.gz UTLFLLVSOFGWOO-UHFFFAOYSA-N 1 0 293.367 2.447 20 5 CEBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000273563492 192205716 /nfs/dbraw/zinc/20/57/16/192205716.db2.gz CDOHYRNGCSAKRB-GFCCVEGCSA-N 1 0 281.360 2.163 20 5 CEBDRO Cc1cccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000452095852 283185504 /nfs/dbraw/zinc/18/55/04/283185504.db2.gz WNHJZWYYEIFOQC-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO C[C@H](O)CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075781033 363489917 /nfs/dbraw/zinc/48/99/17/363489917.db2.gz VHJWBFMZWPBBIA-QWRGUYRKSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076117542 363523879 /nfs/dbraw/zinc/52/38/79/363523879.db2.gz HKINGBBAQVZGBT-NSHDSACASA-N 1 0 250.298 2.458 20 5 CEBDRO COc1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000134928292 366376117 /nfs/dbraw/zinc/37/61/17/366376117.db2.gz DZFZVQPTMAAKPZ-QWRGUYRKSA-N 1 0 279.340 2.498 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000175769773 188966254 /nfs/dbraw/zinc/96/62/54/188966254.db2.gz LBCSLXDWNYGCIH-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922755 199250866 /nfs/dbraw/zinc/25/08/66/199250866.db2.gz XDGQIALJKSIJEZ-QMMMGPOBSA-N 1 0 275.312 2.059 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415589043 236683153 /nfs/dbraw/zinc/68/31/53/236683153.db2.gz YLNZSUROKKDXAC-SNVBAGLBSA-N 1 0 280.328 2.070 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000341574980 216018570 /nfs/dbraw/zinc/01/85/70/216018570.db2.gz LTYYXESRZKLJOW-HNNXBMFYSA-N 1 0 299.330 2.204 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000127310080 283453194 /nfs/dbraw/zinc/45/31/94/283453194.db2.gz GDZOZBWXTJTRES-CYBMUJFWSA-N 1 0 291.351 2.232 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000578759847 366544613 /nfs/dbraw/zinc/54/46/13/366544613.db2.gz MUOWHUYWLRVAQP-OLZOCXBDSA-N 1 0 292.335 2.033 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000139805301 366558413 /nfs/dbraw/zinc/55/84/13/366558413.db2.gz RUAVCPAAVYCUOM-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000453175153 283493329 /nfs/dbraw/zinc/49/33/29/283493329.db2.gz LOMLZWQGQHIYRC-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571305644 299303232 /nfs/dbraw/zinc/30/32/32/299303232.db2.gz RBGNSOHUSJBUSY-QWHCGFSZSA-N 1 0 275.352 2.421 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000177025784 189022082 /nfs/dbraw/zinc/02/20/82/189022082.db2.gz BYCOVCZXSVSKQA-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589678 363732832 /nfs/dbraw/zinc/73/28/32/363732832.db2.gz VVEQNAVDSCVQSM-UHFFFAOYSA-N 1 0 289.339 2.290 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589889 363732948 /nfs/dbraw/zinc/73/29/48/363732948.db2.gz DHWBRPXUFSPFAP-UHFFFAOYSA-N 1 0 289.339 2.290 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414363 189254009 /nfs/dbraw/zinc/25/40/09/189254009.db2.gz MVKFXZOLEDGEBX-FZMZJTMJSA-N 1 0 282.340 2.031 20 5 CEBDRO CSCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000152522571 366701609 /nfs/dbraw/zinc/70/16/09/366701609.db2.gz NTLJJYHNLWVBIV-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO Cc1c(CNC(=O)CCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000581583096 366796656 /nfs/dbraw/zinc/79/66/56/366796656.db2.gz ZOSXTXXBRVKOAL-UHFFFAOYSA-N 1 0 293.367 2.251 20 5 CEBDRO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183294530 189354096 /nfs/dbraw/zinc/35/40/96/189354096.db2.gz OFCMSDIDGRGWHK-UHFFFAOYSA-N 1 0 280.324 2.288 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342479022 216365882 /nfs/dbraw/zinc/36/58/82/216365882.db2.gz BDYGJPNIKBWHQL-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC=C(C)CC1 ZINC000302180434 201384884 /nfs/dbraw/zinc/38/48/84/201384884.db2.gz YDWSQRFRKHRDEN-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000088147700 363879367 /nfs/dbraw/zinc/87/93/67/363879367.db2.gz XXJSTQSYZJPBAS-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000089709889 363995075 /nfs/dbraw/zinc/99/50/75/363995075.db2.gz GJINWOVSXIPRBG-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090514659 364060291 /nfs/dbraw/zinc/06/02/91/364060291.db2.gz YUKUKGCSOGWEBT-ZHYXMNDGSA-N 1 0 284.381 2.403 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795125 364063474 /nfs/dbraw/zinc/06/34/74/364063474.db2.gz PHJOOSZOQRTXQO-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237507980 370728756 /nfs/dbraw/zinc/72/87/56/370728756.db2.gz UUEDCXGVJPSSBW-XHDPSFHLSA-N 1 0 299.330 2.472 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771759 364294544 /nfs/dbraw/zinc/29/45/44/364294544.db2.gz MJUGOWTXVHXICW-JTQLQIEISA-N 1 0 289.339 2.367 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774894 364295109 /nfs/dbraw/zinc/29/51/09/364295109.db2.gz TYLPBCOBWHPHAV-LLVKDONJSA-N 1 0 268.288 2.202 20 5 CEBDRO C[C@H](CCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000094941634 364309803 /nfs/dbraw/zinc/30/98/03/364309803.db2.gz XPQLOPHXLQZHLD-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C ZINC000572082390 299344148 /nfs/dbraw/zinc/34/41/48/299344148.db2.gz NJHMTEXQCANHDN-QWRGUYRKSA-N 1 0 290.367 2.457 20 5 CEBDRO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000582011678 366849586 /nfs/dbraw/zinc/84/95/86/366849586.db2.gz KDEMQROSCIUSJQ-CQSZACIVSA-N 1 0 296.367 2.455 20 5 CEBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000102436465 364595763 /nfs/dbraw/zinc/59/57/63/364595763.db2.gz YEKIVHSMIWWCDG-UHFFFAOYSA-N 1 0 294.355 2.447 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866473 365186245 /nfs/dbraw/zinc/18/62/45/365186245.db2.gz ZFTQWDLQBWMTJV-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO CCC(CC)(CC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000118995595 365197375 /nfs/dbraw/zinc/19/73/75/365197375.db2.gz YVQPBFBVXQESGX-UHFFFAOYSA-N 1 0 254.334 2.350 20 5 CEBDRO Cc1nc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000275470328 193051270 /nfs/dbraw/zinc/05/12/70/193051270.db2.gz NYNHGHMLMQGKHH-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275585991 193079938 /nfs/dbraw/zinc/07/99/38/193079938.db2.gz FNOHNECLEZYURZ-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO Cn1ncc(Cl)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000275632771 193091592 /nfs/dbraw/zinc/09/15/92/193091592.db2.gz UEAGZZNYGQWVAK-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413640 366875661 /nfs/dbraw/zinc/87/56/61/366875661.db2.gz QQBAGCNSKJZDHD-KFWWJZLASA-N 1 0 294.351 2.175 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1[NH+](C)C ZINC000340879188 367070741 /nfs/dbraw/zinc/07/07/41/367070741.db2.gz TYYTYEXJUPAMNE-WDEREUQCSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@H](O)[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000161727909 367108905 /nfs/dbraw/zinc/10/89/05/367108905.db2.gz FXFOQGJODYQLKY-GXSJLCMTSA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000162593007 367171996 /nfs/dbraw/zinc/17/19/96/367171996.db2.gz VDDTYIOOABCZKH-LBPRGKRZSA-N 1 0 294.351 2.095 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCC12CCC[NH+]1CCC2 ZINC000601155970 367216254 /nfs/dbraw/zinc/21/62/54/367216254.db2.gz JEFAYKWYUQDUOO-UHFFFAOYSA-N 1 0 280.303 2.169 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168173419 367348444 /nfs/dbraw/zinc/34/84/44/367348444.db2.gz HJYNPCPDKDMJKV-CVJBHZAOSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168205606 367350254 /nfs/dbraw/zinc/35/02/54/367350254.db2.gz WAAWQSXNZCRYCY-CVJBHZAOSA-N 1 0 290.772 2.105 20 5 CEBDRO Cc1ccc(C[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000168956452 367363007 /nfs/dbraw/zinc/36/30/07/367363007.db2.gz VEWFKANNRNFMSH-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000343620454 367920917 /nfs/dbraw/zinc/92/09/17/367920917.db2.gz YRAMKEJQLXRBEL-GFCCVEGCSA-N 1 0 281.356 2.171 20 5 CEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343627399 367925895 /nfs/dbraw/zinc/92/58/95/367925895.db2.gz JJRZVFZXFVJHFM-UHFFFAOYSA-N 1 0 298.346 2.310 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174140941 367989409 /nfs/dbraw/zinc/98/94/09/367989409.db2.gz FYISFKKBGBJGHH-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO CCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000343791475 368005602 /nfs/dbraw/zinc/00/56/02/368005602.db2.gz MJIHWNNAYVDJJY-UHFFFAOYSA-N 1 0 293.371 2.087 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176377879 368231418 /nfs/dbraw/zinc/23/14/18/368231418.db2.gz RZCUTCBGFPGAOP-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO COc1ccc(C[N@H+](C)CCSC)cc1[N+](=O)[O-] ZINC000178506297 368302175 /nfs/dbraw/zinc/30/21/75/368302175.db2.gz AIODOSYQSDZRQT-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO CCC[N@H+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345788978 368421907 /nfs/dbraw/zinc/42/19/07/368421907.db2.gz WXWIAMBNQQTZPI-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182421492 368561666 /nfs/dbraw/zinc/56/16/66/368561666.db2.gz KCUBKPUDAKATAV-LBPRGKRZSA-N 1 0 293.327 2.137 20 5 CEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000182624491 368571908 /nfs/dbraw/zinc/57/19/08/368571908.db2.gz GBXLQFYEJIUTJI-LLVKDONJSA-N 1 0 280.324 2.368 20 5 CEBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348275570 368979935 /nfs/dbraw/zinc/97/99/35/368979935.db2.gz JQSMPQZJVMFSDR-BDAKNGLRSA-N 1 0 292.261 2.064 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348547311 369082680 /nfs/dbraw/zinc/08/26/80/369082680.db2.gz OLMPFFDIHXPOPE-KGLIPLIRSA-N 1 0 264.325 2.248 20 5 CEBDRO CCn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348672789 369118316 /nfs/dbraw/zinc/11/83/16/369118316.db2.gz MZKVUYUXTQHSJA-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CC1 ZINC000349010136 369219439 /nfs/dbraw/zinc/21/94/39/369219439.db2.gz QKVINHZBLIFPBA-XKOZXHHJSA-N 1 0 276.336 2.359 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188083875 369291856 /nfs/dbraw/zinc/29/18/56/369291856.db2.gz QNIMAMMATREJGP-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000349414229 369323723 /nfs/dbraw/zinc/32/37/23/369323723.db2.gz MXSMZBROPUKNCC-NEPJUHHUSA-N 1 0 292.383 2.395 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(F)(F)F ZINC000188618624 369383513 /nfs/dbraw/zinc/38/35/13/369383513.db2.gz WVOFIPBNSZDGCK-JTQLQIEISA-N 1 0 292.257 2.340 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332809 369498543 /nfs/dbraw/zinc/49/85/43/369498543.db2.gz SVFWZKMDGWBPQQ-CXSYMGSUSA-N 1 0 276.336 2.357 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000352534486 369776103 /nfs/dbraw/zinc/77/61/03/369776103.db2.gz HCCQNSAZEDEBHL-ZDUSSCGKSA-N 1 0 281.381 2.232 20 5 CEBDRO C[C@@H](O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571191 369790492 /nfs/dbraw/zinc/79/04/92/369790492.db2.gz RHCVTJCIWUAQKU-GFCCVEGCSA-N 1 0 266.341 2.230 20 5 CEBDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352768205 369875081 /nfs/dbraw/zinc/87/50/81/369875081.db2.gz GJLONAAQRPMAMM-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352812921 369889708 /nfs/dbraw/zinc/88/97/08/369889708.db2.gz ARTMKBDBRVSLOY-KOLCDFICSA-N 1 0 282.365 2.445 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352920031 369950308 /nfs/dbraw/zinc/95/03/08/369950308.db2.gz YEINJNDVMSKJKE-AWEZNQCLSA-N 1 0 266.341 2.134 20 5 CEBDRO COc1cc(C[NH2+]CC2(SC)CC2)c([N+](=O)[O-])cc1O ZINC000193653294 369968144 /nfs/dbraw/zinc/96/81/44/369968144.db2.gz BUTXBYMTZYIZKN-UHFFFAOYSA-N 1 0 298.364 2.294 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000193974101 369996323 /nfs/dbraw/zinc/99/63/23/369996323.db2.gz YKFOXPTZLQIUHE-UHFFFAOYSA-N 1 0 265.269 2.487 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028187 369989959 /nfs/dbraw/zinc/98/99/59/369989959.db2.gz PJDOAYCDGBBGBG-UKRRQHHQSA-N 1 0 294.351 2.065 20 5 CEBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000221277497 370239976 /nfs/dbraw/zinc/23/99/76/370239976.db2.gz DOODWQUJKSLKBL-RYUDHWBXSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000225791609 370319037 /nfs/dbraw/zinc/31/90/37/370319037.db2.gz NQWXQJPKGSNLSB-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000354206268 370260311 /nfs/dbraw/zinc/26/03/11/370260311.db2.gz JTDKUHWHQUQVMC-DYEKYZERSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227052392 370355756 /nfs/dbraw/zinc/35/57/56/370355756.db2.gz CVRNSOLKPBYXGC-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354434855 370362320 /nfs/dbraw/zinc/36/23/20/370362320.db2.gz AYOFVCJOVGHKEI-BETUJISGSA-N 1 0 277.368 2.428 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000226356837 370337717 /nfs/dbraw/zinc/33/77/17/370337717.db2.gz YYLJIUGSFSEOOI-UHFFFAOYSA-N 1 0 270.358 2.195 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000236051599 370582893 /nfs/dbraw/zinc/58/28/93/370582893.db2.gz QUEFVYRRPLOEHQ-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321137 371013506 /nfs/dbraw/zinc/01/35/06/371013506.db2.gz QQPAKLOURNRPBF-ZYHUDNBSSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000248544185 371209262 /nfs/dbraw/zinc/20/92/62/371209262.db2.gz DMJAETCUVMWORF-DYEKYZERSA-N 1 0 293.367 2.171 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000359036278 371310797 /nfs/dbraw/zinc/31/07/97/371310797.db2.gz DJIVGGFOWCKUTM-CYBMUJFWSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000359222897 371382894 /nfs/dbraw/zinc/38/28/94/371382894.db2.gz KKSKPGHWPDNQRW-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674960 371466656 /nfs/dbraw/zinc/46/66/56/371466656.db2.gz WFIMYCJVXHNRDO-ZFWWWQNUSA-N 1 0 275.352 2.311 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000360965518 371567279 /nfs/dbraw/zinc/56/72/79/371567279.db2.gz HDMOEYPKZDZICY-NSHDSACASA-N 1 0 281.360 2.014 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000361045999 371618954 /nfs/dbraw/zinc/61/89/54/371618954.db2.gz ZGUITIXSDFNHMU-GXSJLCMTSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703324 371707324 /nfs/dbraw/zinc/70/73/24/371707324.db2.gz IQZDYAYORROQRM-SWLSCSKDSA-N 1 0 275.352 2.341 20 5 CEBDRO Cc1c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637613 371685961 /nfs/dbraw/zinc/68/59/61/371685961.db2.gz CCQLLGDSRIRWGR-KBPBESRZSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644122 371690066 /nfs/dbraw/zinc/69/00/66/371690066.db2.gz CQEOPOHMBBPQQP-MNOVXSKESA-N 1 0 281.331 2.293 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000361336773 371791768 /nfs/dbraw/zinc/79/17/68/371791768.db2.gz OUMIZOGECRVCLA-SNVBAGLBSA-N 1 0 254.334 2.196 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176196 217087088 /nfs/dbraw/zinc/08/70/88/217087088.db2.gz RJKVBUJGZCAREF-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268529369 372127418 /nfs/dbraw/zinc/12/74/18/372127418.db2.gz WSVJLANQBQNSJD-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796056 372225837 /nfs/dbraw/zinc/22/58/37/372225837.db2.gz BRXHUUZRGRTHEY-TZMCWYRMSA-N 1 0 291.351 2.256 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344332541 217155247 /nfs/dbraw/zinc/15/52/47/217155247.db2.gz OGRVMLBQOLKSLP-WCQYABFASA-N 1 0 293.367 2.176 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000269662099 372523588 /nfs/dbraw/zinc/52/35/88/372523588.db2.gz QKYJUWMBNVXLLX-GUTXKFCHSA-N 1 0 276.336 2.360 20 5 CEBDRO Cn1cncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000344610472 217248164 /nfs/dbraw/zinc/24/81/64/217248164.db2.gz AJCKZUYRJKGDRJ-UHFFFAOYSA-N 1 0 288.351 2.441 20 5 CEBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000270688339 372901721 /nfs/dbraw/zinc/90/17/21/372901721.db2.gz WWHWBTSIBCTDNL-ZIAGYGMSSA-N 1 0 295.408 2.072 20 5 CEBDRO CC[N@H+](CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271046905 373087947 /nfs/dbraw/zinc/08/79/47/373087947.db2.gz MJEJOGBOFVLDBX-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)O ZINC000344835891 217326039 /nfs/dbraw/zinc/32/60/39/217326039.db2.gz VZMVNYZZVTXUSK-NXIHDVOMSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)O ZINC000271134276 373136233 /nfs/dbraw/zinc/13/62/33/373136233.db2.gz MSGQLUMHRZPVTK-QWRGUYRKSA-N 1 0 284.381 2.436 20 5 CEBDRO COc1cccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000344959624 217369343 /nfs/dbraw/zinc/36/93/43/217369343.db2.gz XPAXUJHCOXSUGK-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO CCC[N@H+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345003205 217383249 /nfs/dbraw/zinc/38/32/49/217383249.db2.gz OLRNHKAMLMCFFG-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000369690039 373490320 /nfs/dbraw/zinc/49/03/20/373490320.db2.gz AIWBTBNNPMNSIW-UHFFFAOYSA-N 1 0 287.323 2.336 20 5 CEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272579531 373559831 /nfs/dbraw/zinc/55/98/31/373559831.db2.gz XTZKRQFWHUCNQC-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000274478891 373936407 /nfs/dbraw/zinc/93/64/07/373936407.db2.gz NUQJSXOTVXCEAC-CYBMUJFWSA-N 1 0 292.383 2.033 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+](C)C ZINC000277789664 193759421 /nfs/dbraw/zinc/75/94/21/193759421.db2.gz FSPWHDASKISQSV-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+](C)C ZINC000277023091 374381759 /nfs/dbraw/zinc/38/17/59/374381759.db2.gz CQTXMXHMNKIIRE-JTQLQIEISA-N 1 0 267.329 2.103 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000277141781 374415335 /nfs/dbraw/zinc/41/53/35/374415335.db2.gz HQMCOGJZQUVSTB-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1c(CN2CC[C@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254735 374454815 /nfs/dbraw/zinc/45/48/15/374454815.db2.gz QLWYBMOAFVREON-PRWKNARSSA-N 1 0 296.392 2.246 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000573853609 299462078 /nfs/dbraw/zinc/46/20/78/299462078.db2.gz NBMCUPZKNBHKRE-DOMZBBRYSA-N 1 0 296.367 2.360 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279866706 375014786 /nfs/dbraw/zinc/01/47/86/375014786.db2.gz SXDULESLQIFSQN-CYBMUJFWSA-N 1 0 264.325 2.236 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](O)C(C)(C)C1 ZINC000279872865 375016689 /nfs/dbraw/zinc/01/66/89/375016689.db2.gz TZXVNOWRNIEPES-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@H]([NH2+]C(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388394741 375290450 /nfs/dbraw/zinc/29/04/50/375290450.db2.gz GSCVHLFMZDKGJJ-AWEZNQCLSA-N 1 0 282.340 2.297 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000283175783 375669171 /nfs/dbraw/zinc/66/91/71/375669171.db2.gz ZKXPGGPEFHTGET-UHFFFAOYSA-N 1 0 276.336 2.416 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254603 375680423 /nfs/dbraw/zinc/68/04/23/375680423.db2.gz VQCLZXRIKLTHCK-GWCFXTLKSA-N 1 0 282.315 2.469 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283715919 375750587 /nfs/dbraw/zinc/75/05/87/375750587.db2.gz FLPZEEMAPGUEEC-VXGBXAGGSA-N 1 0 278.356 2.462 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921992 375781062 /nfs/dbraw/zinc/78/10/62/375781062.db2.gz DRJIZCVWVZFVPP-VHSXEESVSA-N 1 0 289.339 2.322 20 5 CEBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155790 375818377 /nfs/dbraw/zinc/81/83/77/375818377.db2.gz PNMGVXQLTZRINB-NXEZZACHSA-N 1 0 267.329 2.110 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000286221019 375876225 /nfs/dbraw/zinc/87/62/25/375876225.db2.gz GXTZCAZPCBDZBZ-UHFFFAOYSA-N 1 0 277.324 2.305 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230882 375879330 /nfs/dbraw/zinc/87/93/30/375879330.db2.gz DQWYDONKXQDSFZ-VXGBXAGGSA-N 1 0 276.340 2.053 20 5 CEBDRO CC(=O)c1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000286282376 375897067 /nfs/dbraw/zinc/89/70/67/375897067.db2.gz FANMVYIHIUPBCL-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000414658620 375904063 /nfs/dbraw/zinc/90/40/63/375904063.db2.gz LLZBFATWKKBDLG-WDEREUQCSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414668011 375909397 /nfs/dbraw/zinc/90/93/97/375909397.db2.gz YJKGRBIAIAPRLK-SKDRFNHKSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1c(NC(=O)N2CC[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000414693115 375922228 /nfs/dbraw/zinc/92/22/28/375922228.db2.gz DPGUOTWGCSXFCK-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO CCOC(=O)c1cc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286594367 376006391 /nfs/dbraw/zinc/00/63/91/376006391.db2.gz ZEYGSQLYENHSRS-JTQLQIEISA-N 1 0 295.339 2.134 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000287649858 376284721 /nfs/dbraw/zinc/28/47/21/376284721.db2.gz CBILRYQMMGODOO-SECBINFHSA-N 1 0 253.277 2.098 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305725970 376457439 /nfs/dbraw/zinc/45/74/39/376457439.db2.gz LLODNUHAYJNBIG-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305823942 376506308 /nfs/dbraw/zinc/50/63/08/376506308.db2.gz MCFFPXWVCFMXME-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000305842148 376516961 /nfs/dbraw/zinc/51/69/61/376516961.db2.gz RKAXHACREKBHLT-CQSZACIVSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305844987 376518203 /nfs/dbraw/zinc/51/82/03/376518203.db2.gz SGJAOCUDUMZAHQ-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289756099 376484144 /nfs/dbraw/zinc/48/41/44/376484144.db2.gz IPSPPBXWVCPALG-GHMZBOCLSA-N 1 0 252.314 2.416 20 5 CEBDRO CCCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289860345 376534566 /nfs/dbraw/zinc/53/45/66/376534566.db2.gz LDOCKPYPBPYVCN-GFCCVEGCSA-N 1 0 281.356 2.267 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420189174 376601570 /nfs/dbraw/zinc/60/15/70/376601570.db2.gz GAGUMGAQAKXXGQ-MRVPVSSYSA-N 1 0 289.282 2.464 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000420228652 376634521 /nfs/dbraw/zinc/63/45/21/376634521.db2.gz SANXQWOROUCLDS-UHFFFAOYSA-N 1 0 290.367 2.187 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420234185 376641909 /nfs/dbraw/zinc/64/19/09/376641909.db2.gz GTOJJPRIJQNXJX-NWDGAFQWSA-N 1 0 286.335 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000312908330 376733189 /nfs/dbraw/zinc/73/31/89/376733189.db2.gz ZXOMTPHFTOIQPZ-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312003486 376698131 /nfs/dbraw/zinc/69/81/31/376698131.db2.gz QPVMQBRRQKUKAD-SNVBAGLBSA-N 1 0 270.304 2.232 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264669451 190127334 /nfs/dbraw/zinc/12/73/34/190127334.db2.gz IZQBZVJRPDNPGQ-AWEZNQCLSA-N 1 0 291.351 2.199 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323434 376797603 /nfs/dbraw/zinc/79/76/03/376797603.db2.gz MHAHCBZYYAPQIY-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423281689 377209954 /nfs/dbraw/zinc/20/99/54/377209954.db2.gz UKIKYXJVNCGLLP-LLVKDONJSA-N 1 0 291.351 2.209 20 5 CEBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331013520 377239959 /nfs/dbraw/zinc/23/99/59/377239959.db2.gz SZUUQKOTUMYRDW-GFCCVEGCSA-N 1 0 266.345 2.302 20 5 CEBDRO C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331201842 377326022 /nfs/dbraw/zinc/32/60/22/377326022.db2.gz XGRIYZCVYQYCHN-ZDUSSCGKSA-N 1 0 291.351 2.040 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331201841 377326516 /nfs/dbraw/zinc/32/65/16/377326516.db2.gz XGRIYZCVYQYCHN-CYBMUJFWSA-N 1 0 291.351 2.040 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154015 377305705 /nfs/dbraw/zinc/30/57/05/377305705.db2.gz IZXGOXRLXKSJNI-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(CCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000564075593 377343121 /nfs/dbraw/zinc/34/31/21/377343121.db2.gz HGTMEJMCRYAGHT-CQSZACIVSA-N 1 0 286.335 2.370 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCC3)CC2)cs1 ZINC000264958848 190147589 /nfs/dbraw/zinc/14/75/89/190147589.db2.gz FKAMJPYTYKVXIV-UHFFFAOYSA-N 1 0 281.381 2.326 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000564666000 377428561 /nfs/dbraw/zinc/42/85/61/377428561.db2.gz CJWWNPXPCYEBOI-OAHLLOKOSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884854 377460744 /nfs/dbraw/zinc/46/07/44/377460744.db2.gz JOSUVDBDQMJZDI-AAEUAGOBSA-N 1 0 286.335 2.457 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000565084792 377554554 /nfs/dbraw/zinc/55/45/54/377554554.db2.gz ILDVQWDTMFRCJF-UHFFFAOYSA-N 1 0 278.308 2.089 20 5 CEBDRO CCOc1cc(C[N@H+](CC)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000293458238 377574833 /nfs/dbraw/zinc/57/48/33/377574833.db2.gz PZYFNKCHMSXCLQ-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000574395409 299491529 /nfs/dbraw/zinc/49/15/29/299491529.db2.gz CJABKYJMBLCQST-JTQLQIEISA-N 1 0 278.356 2.231 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000265452400 190183433 /nfs/dbraw/zinc/18/34/33/190183433.db2.gz ULOVGQPOZCRRFA-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265733816 190202857 /nfs/dbraw/zinc/20/28/57/190202857.db2.gz AKDNLOWAUALPSJ-LBPRGKRZSA-N 1 0 280.324 2.072 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313037334 249377400 /nfs/dbraw/zinc/37/74/00/249377400.db2.gz YOMWKGMLGSWMHG-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO Cn1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000313268230 249392335 /nfs/dbraw/zinc/39/23/35/249392335.db2.gz VUEDEKJYIHVKEB-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000293618975 377659060 /nfs/dbraw/zinc/65/90/60/377659060.db2.gz BYZRVYGHPPOKKV-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CC[NH+](CC)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293886429 377807063 /nfs/dbraw/zinc/80/70/63/377807063.db2.gz GAJSSRRNGCMNSQ-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568459 378216612 /nfs/dbraw/zinc/21/66/12/378216612.db2.gz QZEILGWSMMIACY-WDEREUQCSA-N 1 0 293.371 2.226 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1([NH3+])CCC1 ZINC000295720895 378277201 /nfs/dbraw/zinc/27/72/01/378277201.db2.gz NNOVAVRMIHGXRD-UHFFFAOYSA-N 1 0 297.742 2.088 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450361822 378375751 /nfs/dbraw/zinc/37/57/51/378375751.db2.gz OZMQIQZSOWPVCP-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000296223169 378457859 /nfs/dbraw/zinc/45/78/59/378457859.db2.gz CAIGJVYKQYLYAO-JFGNBEQYSA-N 1 0 250.298 2.250 20 5 CEBDRO Cc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296453105 378537835 /nfs/dbraw/zinc/53/78/35/378537835.db2.gz IUUCOOODXNMLSL-UHFFFAOYSA-N 1 0 293.371 2.414 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451108176 378710345 /nfs/dbraw/zinc/71/03/45/378710345.db2.gz VWSVYAPOEHSQRG-HZMBPMFUSA-N 1 0 289.335 2.009 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000346840562 218032880 /nfs/dbraw/zinc/03/28/80/218032880.db2.gz GIWPJUILRKONKB-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347103959 218123468 /nfs/dbraw/zinc/12/34/68/218123468.db2.gz KTWVCGGXUPPQOB-CQSZACIVSA-N 1 0 275.352 2.230 20 5 CEBDRO C[C@H](O)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278612429 194067797 /nfs/dbraw/zinc/06/77/97/194067797.db2.gz IXEIGPASTVKTDQ-ZCRIDZFUSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000278655452 194085483 /nfs/dbraw/zinc/08/54/83/194085483.db2.gz IIKXMUCFMPUQSC-GFCCVEGCSA-N 1 0 291.351 2.175 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000299558939 379043785 /nfs/dbraw/zinc/04/37/85/379043785.db2.gz DZCODIIRGBSORG-LBPRGKRZSA-N 1 0 278.356 2.380 20 5 CEBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000302244347 379344873 /nfs/dbraw/zinc/34/48/73/379344873.db2.gz KDBAVDKSNBHMNN-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266848012 190284354 /nfs/dbraw/zinc/28/43/54/190284354.db2.gz PSFIUXYRMWYGNV-STQMWFEESA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CC1 ZINC000289441905 197349898 /nfs/dbraw/zinc/34/98/98/197349898.db2.gz MBTHKGSQKLUQHB-NHYWBVRUSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cnc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268208324 190386533 /nfs/dbraw/zinc/38/65/33/190386533.db2.gz YXACFJBCEBFOSE-CMPLNLGQSA-N 1 0 276.340 2.193 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551532848 380647534 /nfs/dbraw/zinc/64/75/34/380647534.db2.gz HDAWJOLKUMJFLT-LBPRGKRZSA-N 1 0 277.324 2.312 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000279335898 194389728 /nfs/dbraw/zinc/38/97/28/194389728.db2.gz PHEXZDSRIWGLQP-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000090794480 184616554 /nfs/dbraw/zinc/61/65/54/184616554.db2.gz XJMRUBKDZOBYNI-NSHDSACASA-N 1 0 291.351 2.500 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cs1 ZINC000374541469 285086693 /nfs/dbraw/zinc/08/66/93/285086693.db2.gz NWIUKJDHDAWWKJ-JTQLQIEISA-N 1 0 278.337 2.027 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C[C@H](C)O ZINC000350454863 219023261 /nfs/dbraw/zinc/02/32/61/219023261.db2.gz GBJSIKDKBSGRNG-QWRGUYRKSA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC1)CCC2 ZINC000193045461 285145469 /nfs/dbraw/zinc/14/54/69/285145469.db2.gz HYHSZIYAOMVNDU-SMDDNHRTSA-N 1 0 262.309 2.351 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000194360109 285164663 /nfs/dbraw/zinc/16/46/63/285164663.db2.gz DPYIREAYCGEKGT-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc(C(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281188275 195142208 /nfs/dbraw/zinc/14/22/08/195142208.db2.gz ZJTZNMCEVQGYRM-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1CCN(CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281668652 195328849 /nfs/dbraw/zinc/32/88/49/195328849.db2.gz PKIVXMXYGMEGDG-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO C[C@H](CO)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230157912 130893792 /nfs/dbraw/zinc/89/37/92/130893792.db2.gz IZUNMEOCHYGMSA-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO COc1cc(N[C@H](C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000218849345 394457424 /nfs/dbraw/zinc/45/74/24/394457424.db2.gz WVEWCNUSXYUIDR-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301530177 394461627 /nfs/dbraw/zinc/46/16/27/394461627.db2.gz PBILQFLPDACEAA-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421012938 394461729 /nfs/dbraw/zinc/46/17/29/394461729.db2.gz UHNCMQQATMZDIM-ZDUSSCGKSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1cc(N2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000227368398 394472549 /nfs/dbraw/zinc/47/25/49/394472549.db2.gz ALNXCHCVZJSEFN-LBPRGKRZSA-N 1 0 287.319 2.413 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938650 394476992 /nfs/dbraw/zinc/47/69/92/394476992.db2.gz JPIDIDMPCWSNEW-NEPJUHHUSA-N 1 0 293.367 2.467 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000235315993 394482766 /nfs/dbraw/zinc/48/27/66/394482766.db2.gz LAIUOBGXMFTQKT-MFKMUULPSA-N 1 0 291.351 2.103 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413185602 394499834 /nfs/dbraw/zinc/49/98/34/394499834.db2.gz QPQUAWRDJBKPBO-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@H]2C1 ZINC000413270767 394516633 /nfs/dbraw/zinc/51/66/33/394516633.db2.gz REXCYPDDBJMNJV-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO Cc1cnc(NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413435332 394550504 /nfs/dbraw/zinc/55/05/04/394550504.db2.gz HFWNJMRISNADBS-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356872311 394638054 /nfs/dbraw/zinc/63/80/54/394638054.db2.gz FHZFYXSJEFUIBZ-RYUDHWBXSA-N 1 0 291.351 2.068 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422719941 394739472 /nfs/dbraw/zinc/73/94/72/394739472.db2.gz RQSAXAINHPDBSI-KBPBESRZSA-N 1 0 293.367 2.353 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000357008836 394680289 /nfs/dbraw/zinc/68/02/89/394680289.db2.gz VDHQVWHWZVCJJZ-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268197352 394691347 /nfs/dbraw/zinc/69/13/47/394691347.db2.gz WWCLTXMRASIINV-NWDGAFQWSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268809482 394699879 /nfs/dbraw/zinc/69/98/79/394699879.db2.gz GRMLXBSXEJEQCA-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272232315 394769125 /nfs/dbraw/zinc/76/91/25/394769125.db2.gz UXCUSNBRWBDQEH-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](C[NH3+])C(C)(C)C ZINC000415059199 394868597 /nfs/dbraw/zinc/86/85/97/394868597.db2.gz XKROZYUYMBUHFA-CYBMUJFWSA-N 1 0 265.357 2.366 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908158 394922013 /nfs/dbraw/zinc/92/20/13/394922013.db2.gz DEVIPXAXOJRZPO-JQWIXIFHSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788443 394928875 /nfs/dbraw/zinc/92/88/75/394928875.db2.gz TUFLFXVXKPABHK-TXEJJXNPSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423481610 394930085 /nfs/dbraw/zinc/93/00/85/394930085.db2.gz WZYPPHBKRMZWAG-PKFCDNJMSA-N 1 0 263.341 2.298 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000415502805 394938199 /nfs/dbraw/zinc/93/81/99/394938199.db2.gz OCALZFJVHMCMKU-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415496783 394938410 /nfs/dbraw/zinc/93/84/10/394938410.db2.gz GYTFGOSDKPPRAF-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842734 395000693 /nfs/dbraw/zinc/00/06/93/395000693.db2.gz KGFQLBGDBPSXRQ-CYBMUJFWSA-N 1 0 299.758 2.382 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846727 395001210 /nfs/dbraw/zinc/00/12/10/395001210.db2.gz NXOSBMQCMDHBKZ-UFBFGSQYSA-N 1 0 299.758 2.238 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285582355 394959879 /nfs/dbraw/zinc/95/98/79/394959879.db2.gz UCLDSVPPLPCUJA-UHFFFAOYSA-N 1 0 286.353 2.335 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415759564 394961152 /nfs/dbraw/zinc/96/11/52/394961152.db2.gz JBEGDKPOUDYZDP-LLVKDONJSA-N 1 0 292.339 2.031 20 5 CEBDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000436413213 395115427 /nfs/dbraw/zinc/11/54/27/395115427.db2.gz SSSACDMCLLQUGX-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000291636860 395146082 /nfs/dbraw/zinc/14/60/82/395146082.db2.gz AWOODHXVFPCDOV-SECBINFHSA-N 1 0 255.293 2.344 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814796 395237914 /nfs/dbraw/zinc/23/79/14/395237914.db2.gz QNBZNZWYGSJPCR-WDEREUQCSA-N 1 0 282.315 2.184 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917779 395239224 /nfs/dbraw/zinc/23/92/24/395239224.db2.gz RCYWGOILWJLMTC-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000182386126 395240917 /nfs/dbraw/zinc/24/09/17/395240917.db2.gz GAKGIGXUEZXISB-KGLIPLIRSA-N 1 0 276.336 2.294 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433114494 395200054 /nfs/dbraw/zinc/20/00/54/395200054.db2.gz HAQKUXNIFYYDGG-DGCLKSJQSA-N 1 0 293.367 2.311 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H](CO)COC(C)C)cccc1[N+](=O)[O-] ZINC000433160066 395206567 /nfs/dbraw/zinc/20/65/67/395206567.db2.gz GGOHWTDIHGBIEA-CQSZACIVSA-N 1 0 296.367 2.121 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420281586 395293502 /nfs/dbraw/zinc/29/35/02/395293502.db2.gz MGXYLBYKXKJREZ-QWRGUYRKSA-N 1 0 281.360 2.049 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420288955 395296726 /nfs/dbraw/zinc/29/67/26/395296726.db2.gz SPJVGKYCOHSNJZ-MNOVXSKESA-N 1 0 290.367 2.492 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353438775 395296819 /nfs/dbraw/zinc/29/68/19/395296819.db2.gz VNLBVZBSCXIZED-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000295974397 395304707 /nfs/dbraw/zinc/30/47/07/395304707.db2.gz KPDWUDZKHHDHFM-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1cccc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188496812 395315772 /nfs/dbraw/zinc/31/57/72/395315772.db2.gz VNWAVDGGGMDLAH-UHFFFAOYSA-N 1 0 279.340 2.037 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCO)CC2)c1 ZINC000401072905 395255943 /nfs/dbraw/zinc/25/59/43/395255943.db2.gz NRQAYRUNEZDFBV-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]CC1(C)C ZINC000420366487 395354336 /nfs/dbraw/zinc/35/43/36/395354336.db2.gz RFFZYQQIDCGPNI-AWEZNQCLSA-N 1 0 293.367 2.081 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420635228 395395645 /nfs/dbraw/zinc/39/56/45/395395645.db2.gz LOBWEWWWGQONQI-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420328243 395329942 /nfs/dbraw/zinc/32/99/42/395329942.db2.gz FEDBWIQZRQITHL-MNOVXSKESA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335974 395414378 /nfs/dbraw/zinc/41/43/78/395414378.db2.gz CQUBIEXUTCWVSQ-JTQLQIEISA-N 1 0 252.318 2.093 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355344728 395415784 /nfs/dbraw/zinc/41/57/84/395415784.db2.gz DWFLEJAUYVXDLN-AOOOYVTPSA-N 1 0 252.318 2.091 20 5 CEBDRO CC(C)C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355346406 395416744 /nfs/dbraw/zinc/41/67/44/395416744.db2.gz ULXXSBUPFXPYBM-NSHDSACASA-N 1 0 266.345 2.196 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000446035095 395478664 /nfs/dbraw/zinc/47/86/64/395478664.db2.gz AKKZGWKPCVFDKL-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(C[NH2+]C(C)(C)CCO)cc1[N+](=O)[O-] ZINC000135225750 400280219 /nfs/dbraw/zinc/28/02/19/400280219.db2.gz RRWFSIKOWKQPJX-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1c(C[NH2+]C[C@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000312886714 289281643 /nfs/dbraw/zinc/28/16/43/289281643.db2.gz WAUFSPFVKPMDJA-NSHDSACASA-N 1 0 292.257 2.306 20 5 CEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000188668335 153065769 /nfs/dbraw/zinc/06/57/69/153065769.db2.gz WKFMRLDUNZTFCX-UHFFFAOYSA-N 1 0 297.314 2.128 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000194756469 153267602 /nfs/dbraw/zinc/26/76/02/153267602.db2.gz PGRIPPJZZDIUEE-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230164039 153384238 /nfs/dbraw/zinc/38/42/38/153384238.db2.gz AKCYLVHABFHZSK-NSHDSACASA-N 1 0 280.324 2.120 20 5 CEBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230153275 153386183 /nfs/dbraw/zinc/38/61/83/153386183.db2.gz VIOCJEWEBOXERW-IINYFYTJSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C[NH3+] ZINC000261684032 153806262 /nfs/dbraw/zinc/80/62/62/153806262.db2.gz HDIVSDMXFIEQAF-YGRLFVJLSA-N 1 0 281.331 2.293 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000262476270 153951852 /nfs/dbraw/zinc/95/18/52/153951852.db2.gz QEBZLBRUKWUZGO-SECBINFHSA-N 1 0 297.380 2.045 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000352658995 154327273 /nfs/dbraw/zinc/32/72/73/154327273.db2.gz HMXOZRHIWCBTEE-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCO2)CC1 ZINC000367102102 156132435 /nfs/dbraw/zinc/13/24/35/156132435.db2.gz UYSMSVCFPULJPR-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375033545 157043346 /nfs/dbraw/zinc/04/33/46/157043346.db2.gz WTLIGFYABIAXLN-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375285508 157072606 /nfs/dbraw/zinc/07/26/06/157072606.db2.gz CZGPROTXHPPWFS-KQIUPUNMSA-N 1 0 274.320 2.065 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060872 165035719 /nfs/dbraw/zinc/03/57/19/165035719.db2.gz CIKAZPHXJKXUMP-IUCAKERBSA-N 1 0 272.732 2.355 20 5 CEBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285551 165160404 /nfs/dbraw/zinc/16/04/04/165160404.db2.gz OEYACTSCKRBGHX-VXGBXAGGSA-N 1 0 298.412 2.397 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177765427 165206864 /nfs/dbraw/zinc/20/68/64/165206864.db2.gz JVQUITWVJOWTOV-NSHDSACASA-N 1 0 293.367 2.469 20 5 CEBDRO CC[NH+](CC)CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000181322681 165340749 /nfs/dbraw/zinc/34/07/49/165340749.db2.gz JHKCKKHWQLHREG-UHFFFAOYSA-N 1 0 253.302 2.019 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000284251979 196013205 /nfs/dbraw/zinc/01/32/05/196013205.db2.gz IONVHFDRKRLLOR-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO CC(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020544136 171242932 /nfs/dbraw/zinc/24/29/32/171242932.db2.gz FTDKMNIZGXGGFQ-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120558 196201664 /nfs/dbraw/zinc/20/16/64/196201664.db2.gz KZYYIXKZJJKRIC-WDMOLILDSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC=C(c3ccco3)C2)n1 ZINC000285210496 196222304 /nfs/dbraw/zinc/22/23/04/196222304.db2.gz DOWIFYZLBCQADJ-UHFFFAOYSA-N 1 0 288.307 2.174 20 5 CEBDRO CC(C)OCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285246270 196231963 /nfs/dbraw/zinc/23/19/63/196231963.db2.gz PUYBKDNIAVRVJC-SNVBAGLBSA-N 1 0 267.329 2.253 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000035677772 172348472 /nfs/dbraw/zinc/34/84/72/172348472.db2.gz GXTZAIGFWQRDSQ-MRXNPFEDSA-N 1 0 286.331 2.461 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000037668603 173610500 /nfs/dbraw/zinc/61/05/00/173610500.db2.gz SUWMCSNAHMODLZ-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685519 175231400 /nfs/dbraw/zinc/23/14/00/175231400.db2.gz IZRRMCSFMLSICC-DGCLKSJQSA-N 1 0 275.352 2.482 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000044724088 175237181 /nfs/dbraw/zinc/23/71/81/175237181.db2.gz LXKRIMLTVMUKOT-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CC2)c(Cl)c1 ZINC000071304610 176115100 /nfs/dbraw/zinc/11/51/00/176115100.db2.gz KCTMJOJMGOJVRS-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000071333289 176126104 /nfs/dbraw/zinc/12/61/04/176126104.db2.gz RJDNDCBJSFXPJA-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO CC[N@H+](CCNc1ncc(C)cc1[N+](=O)[O-])C1CC1 ZINC000078657566 177367270 /nfs/dbraw/zinc/36/72/70/177367270.db2.gz SWBFHRXZRWYREF-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)C1CCCC1 ZINC000352707361 227176254 /nfs/dbraw/zinc/17/62/54/227176254.db2.gz ADPGKJFAEYUYBS-CYBMUJFWSA-N 1 0 282.315 2.375 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546602 260039579 /nfs/dbraw/zinc/03/95/79/260039579.db2.gz XHFGXJIUASEQQR-JHJVBQTASA-N 1 0 296.371 2.026 20 5 CEBDRO COc1ccc(NC(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000072722519 260278184 /nfs/dbraw/zinc/27/81/84/260278184.db2.gz LJHZPOYVJUSLGR-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COCC1(C)C ZINC000449625517 260770531 /nfs/dbraw/zinc/77/05/31/260770531.db2.gz SNMIXCGMSHDHJV-ZDUSSCGKSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395875288 270348543 /nfs/dbraw/zinc/34/85/43/270348543.db2.gz MCJJIXYPMJKVKM-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO CC(C)C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000193482666 270285663 /nfs/dbraw/zinc/28/56/63/270285663.db2.gz GLSNALSJSKSMDS-LLVKDONJSA-N 1 0 299.396 2.362 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000315027780 270333520 /nfs/dbraw/zinc/33/35/20/270333520.db2.gz XWPINHCSRRTRHI-COPLHBTASA-N 1 0 291.351 2.020 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000395157352 270345374 /nfs/dbraw/zinc/34/53/74/270345374.db2.gz CJGGVNGGPSVOQJ-TZMCWYRMSA-N 1 0 264.325 2.188 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000397185700 270351811 /nfs/dbraw/zinc/35/18/11/270351811.db2.gz LYOLPNFIVXWRSU-UHFFFAOYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642027 270360572 /nfs/dbraw/zinc/36/05/72/270360572.db2.gz XQFTYMOTDVDVQM-NEPJUHHUSA-N 1 0 264.325 2.045 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1c(F)cccc1[N+](=O)[O-] ZINC000420368633 270529522 /nfs/dbraw/zinc/52/95/22/270529522.db2.gz UJWAXCWSWREELU-GFCCVEGCSA-N 1 0 269.320 2.197 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424325407 271045160 /nfs/dbraw/zinc/04/51/60/271045160.db2.gz KRWRETXMWPTZQA-IRUJWGPZSA-N 1 0 280.324 2.167 20 5 CEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC12CC2 ZINC000424332959 271046718 /nfs/dbraw/zinc/04/67/18/271046718.db2.gz XFBKQJBQPJOQIE-GXFFZTMASA-N 1 0 289.335 2.454 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000428461537 271270934 /nfs/dbraw/zinc/27/09/34/271270934.db2.gz OZZCRZDYVVXGJE-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CC(F)F ZINC000428639382 271284137 /nfs/dbraw/zinc/28/41/37/271284137.db2.gz JFKYWWKLSIPOFU-JTQLQIEISA-N 1 0 274.267 2.009 20 5 CEBDRO C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000430565461 271391537 /nfs/dbraw/zinc/39/15/37/271391537.db2.gz AHHTYDABITUMBE-IUODEOHRSA-N 1 0 293.367 2.033 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000270300107 274182586 /nfs/dbraw/zinc/18/25/86/274182586.db2.gz AMHFWVULPKBFRU-CHWSQXEVSA-N 1 0 299.371 2.216 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000270301234 274186700 /nfs/dbraw/zinc/18/67/00/274186700.db2.gz AMHFWVULPKBFRU-STQMWFEESA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070177128 274288791 /nfs/dbraw/zinc/28/87/91/274288791.db2.gz DBYHBFZTBCZSFK-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352028270 274333091 /nfs/dbraw/zinc/33/30/91/274333091.db2.gz PRHDMWFDYDNTGQ-SECBINFHSA-N 1 0 285.294 2.009 20 5 CEBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286425973 274842055 /nfs/dbraw/zinc/84/20/55/274842055.db2.gz NGRWIKVVSJNYGV-TZMCWYRMSA-N 1 0 290.367 2.361 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000238078543 274952511 /nfs/dbraw/zinc/95/25/11/274952511.db2.gz NFWQRAQGOUUYOV-PELKAZGASA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301279121 275041210 /nfs/dbraw/zinc/04/12/10/275041210.db2.gz NEWVFFPCJLSAAS-JTQLQIEISA-N 1 0 296.758 2.318 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000273594921 275041222 /nfs/dbraw/zinc/04/12/22/275041222.db2.gz IDJXPXFAKLLAGJ-UHFFFAOYSA-N 1 0 291.355 2.204 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275956717 276048340 /nfs/dbraw/zinc/04/83/40/276048340.db2.gz BHLGVKZXLMIXGR-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000359217955 276050432 /nfs/dbraw/zinc/05/04/32/276050432.db2.gz GUZHGIBOTCHYHR-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193458831 276115044 /nfs/dbraw/zinc/11/50/44/276115044.db2.gz NMXFSQVHFCPAAJ-GFCCVEGCSA-N 1 0 278.356 2.098 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000193479012 277069776 /nfs/dbraw/zinc/06/97/76/277069776.db2.gz FMVNPOHALBZNDN-YPMHNXCESA-N 1 0 290.367 2.098 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000286161386 277084438 /nfs/dbraw/zinc/08/44/38/277084438.db2.gz JLHADNYNASFZDA-AAEUAGOBSA-N 1 0 290.367 2.098 20 5 CEBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293594370 277551565 /nfs/dbraw/zinc/55/15/65/277551565.db2.gz FQPDBFRNUZWCKM-UWVGGRQHSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000356979711 279103597 /nfs/dbraw/zinc/10/35/97/279103597.db2.gz FDVJLHYENYDHHK-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994335 279577294 /nfs/dbraw/zinc/57/72/94/279577294.db2.gz FDSNOGBNALZFHP-TVQRCGJNSA-N 1 0 264.325 2.288 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000134482607 280023358 /nfs/dbraw/zinc/02/33/58/280023358.db2.gz IJXVRYWNINPXRJ-LLVKDONJSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089106447 280216139 /nfs/dbraw/zinc/21/61/39/280216139.db2.gz HVPSLBRRPQSTTJ-WCQYABFASA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246552881 280300778 /nfs/dbraw/zinc/30/07/78/280300778.db2.gz WQMVWXGKACRPIS-ZWKOPEQDSA-N 1 0 250.298 2.159 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426454917 281194371 /nfs/dbraw/zinc/19/43/71/281194371.db2.gz AXRIKRWFKUIDMA-MFKMUULPSA-N 1 0 289.335 2.068 20 5 CEBDRO COc1cc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429312132 281233197 /nfs/dbraw/zinc/23/31/97/281233197.db2.gz OBBGGJHQECOFIQ-PTEHBNRSSA-N 1 0 294.351 2.337 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610532 281269095 /nfs/dbraw/zinc/26/90/95/281269095.db2.gz LBRZXHIVYFWDOX-WFASDCNBSA-N 1 0 293.367 2.175 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610529 281269213 /nfs/dbraw/zinc/26/92/13/281269213.db2.gz LBRZXHIVYFWDOX-DOMZBBRYSA-N 1 0 293.367 2.175 20 5 CEBDRO Cc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445088 281390265 /nfs/dbraw/zinc/39/02/65/281390265.db2.gz CLWWDCXLEBCULD-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456204269 289564483 /nfs/dbraw/zinc/56/44/83/289564483.db2.gz OEOVPERSZVCKDO-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685726 290017318 /nfs/dbraw/zinc/01/73/18/290017318.db2.gz LKUHYIXTGKDSGQ-WCQYABFASA-N 1 0 275.352 2.482 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000344414766 290057973 /nfs/dbraw/zinc/05/79/73/290057973.db2.gz GNWQKCAHPADTIF-HNNXBMFYSA-N 1 0 298.346 2.483 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000272143832 290160093 /nfs/dbraw/zinc/16/00/93/290160093.db2.gz BWNXGLURUJKNEN-MFKMUULPSA-N 1 0 279.315 2.264 20 5 CEBDRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459791152 290241106 /nfs/dbraw/zinc/24/11/06/290241106.db2.gz SLZUOZNCKXYGGK-WOPDTQHZSA-N 1 0 289.335 2.312 20 5 CEBDRO Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000471723221 290279321 /nfs/dbraw/zinc/27/93/21/290279321.db2.gz DGRWJYMZHNBYGO-BXKDBHETSA-N 1 0 276.340 2.193 20 5 CEBDRO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487069907 290330133 /nfs/dbraw/zinc/33/01/33/290330133.db2.gz SZJGFRPTFBQWAK-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO COc1cccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487073704 290331055 /nfs/dbraw/zinc/33/10/55/290331055.db2.gz PXMWJAXLIQJTPG-ZDUSSCGKSA-N 1 0 293.367 2.380 20 5 CEBDRO COCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000531702047 298116549 /nfs/dbraw/zinc/11/65/49/298116549.db2.gz QNVZGHNQZOXNAF-UHFFFAOYSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097258 298393638 /nfs/dbraw/zinc/39/36/38/298393638.db2.gz PGQBHSBFIOCLCV-GHMZBOCLSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000533250432 313365220 /nfs/dbraw/zinc/36/52/20/313365220.db2.gz IVWMBYVEWORXEV-SNVBAGLBSA-N 1 0 254.334 2.158 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570454710 314041789 /nfs/dbraw/zinc/04/17/89/314041789.db2.gz PKAFTNWASWZKHL-QWRGUYRKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H](O)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000573083859 314139193 /nfs/dbraw/zinc/13/91/93/314139193.db2.gz FYSPAGANUDBMQY-RYUDHWBXSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@H](O)C[NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000576696520 314301758 /nfs/dbraw/zinc/30/17/58/314301758.db2.gz JPDIWAVMMZUOOL-LBPRGKRZSA-N 1 0 281.356 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)C(F)F ZINC000577443809 314376930 /nfs/dbraw/zinc/37/69/30/314376930.db2.gz LUWLUCHIKGISAW-KWQFWETISA-N 1 0 274.267 2.180 20 5 CEBDRO CCC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577948760 314429455 /nfs/dbraw/zinc/42/94/55/314429455.db2.gz ZTPOIACUQZASGS-GFCCVEGCSA-N 1 0 296.367 2.360 20 5 CEBDRO CCc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000578772132 314516446 /nfs/dbraw/zinc/51/64/46/314516446.db2.gz OHEDTTILAUDDAB-UHFFFAOYSA-N 1 0 291.351 2.029 20 5 CEBDRO Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000579454358 314587331 /nfs/dbraw/zinc/58/73/31/314587331.db2.gz XNAPTQHFRVJDKK-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C)cs1 ZINC000184354824 321730163 /nfs/dbraw/zinc/73/01/63/321730163.db2.gz DHEUCAZPPQXARS-SNVBAGLBSA-N 1 0 295.368 2.297 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000384739217 321854497 /nfs/dbraw/zinc/85/44/97/321854497.db2.gz WTENUFISRAXADQ-GWJCSSMESA-N 1 0 291.351 2.098 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000580718374 322338800 /nfs/dbraw/zinc/33/88/00/322338800.db2.gz UYKIFYMWLWOXOL-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1cc(NC2C[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581301011 322384684 /nfs/dbraw/zinc/38/46/84/322384684.db2.gz RFEPEQSNNJNTDT-UHFFFAOYSA-N 1 0 275.230 2.306 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCF)n1 ZINC000581587725 322408174 /nfs/dbraw/zinc/40/81/74/322408174.db2.gz JZWPDIAWLOXABN-QWRGUYRKSA-N 1 0 270.308 2.224 20 5 CEBDRO Cc1cc(NC(=O)NCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000562755937 327512503 /nfs/dbraw/zinc/51/25/03/327512503.db2.gz PKUKDCJJNARVNE-UHFFFAOYSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1nnc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412024903 534612367 /nfs/dbraw/zinc/61/23/67/534612367.db2.gz GCNHKHLYYFPSMH-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226710610 522387845 /nfs/dbraw/zinc/38/78/45/522387845.db2.gz MOMMWIHBACBXEC-NWDGAFQWSA-N 1 0 263.341 2.340 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205603 524024865 /nfs/dbraw/zinc/02/48/65/524024865.db2.gz RDWXOQCLMOHPGZ-RYUDHWBXSA-N 1 0 282.340 2.297 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000049554406 524476423 /nfs/dbraw/zinc/47/64/23/524476423.db2.gz YVDRJXHJSLDGSO-VIFPVBQESA-N 1 0 257.359 2.086 20 5 CEBDRO Cc1ccc(C[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000070161066 524573231 /nfs/dbraw/zinc/57/32/31/524573231.db2.gz SUCMZDCLKAGEBR-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CC2)CC1 ZINC000183253295 525563816 /nfs/dbraw/zinc/56/38/16/525563816.db2.gz USTQDABBQSGDHO-UHFFFAOYSA-N 1 0 275.352 2.183 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000052812553 525576409 /nfs/dbraw/zinc/57/64/09/525576409.db2.gz AJGPOHSOWUJXBJ-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CC[NH+](C)C ZINC000052812749 525576451 /nfs/dbraw/zinc/57/64/51/525576451.db2.gz WNSJBRJCSONYMY-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070170074 526070168 /nfs/dbraw/zinc/07/01/68/526070168.db2.gz CRRTZEIEMYRXGD-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163081 526074175 /nfs/dbraw/zinc/07/41/75/526074175.db2.gz YHGLPXGVXAFVSY-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)nc1 ZINC000366507101 527363975 /nfs/dbraw/zinc/36/39/75/527363975.db2.gz PHYHHJBKVZXPTA-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000363479794 527387118 /nfs/dbraw/zinc/38/71/18/527387118.db2.gz JTMYDLHMTUWUNC-CYBMUJFWSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCCCC2)c1 ZINC000062351363 527394923 /nfs/dbraw/zinc/39/49/23/527394923.db2.gz JTQMEECZHBGGRC-CYBMUJFWSA-N 1 0 250.298 2.114 20 5 CEBDRO CCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349926 527887989 /nfs/dbraw/zinc/88/79/89/527887989.db2.gz UDMYXQGNYPLAPY-OCCSQVGLSA-N 1 0 277.368 2.210 20 5 CEBDRO COC(=O)C1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000730107258 574502044 /nfs/dbraw/zinc/50/20/44/574502044.db2.gz FJJPYDPEWDZZEO-UHFFFAOYSA-N 1 0 298.364 2.478 20 5 CEBDRO C[C@@H]1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742147385 574830091 /nfs/dbraw/zinc/83/00/91/574830091.db2.gz GOAOTEATHDMIBU-LLVKDONJSA-N 1 0 287.323 2.153 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000742236760 575012230 /nfs/dbraw/zinc/01/22/30/575012230.db2.gz FQJHWZCZGWDUHN-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479547 575104871 /nfs/dbraw/zinc/10/48/71/575104871.db2.gz IOWNBVJTIPUBQC-NWDGAFQWSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749959646 575242256 /nfs/dbraw/zinc/24/22/56/575242256.db2.gz KFJGSVDBNPSUOL-UHFFFAOYSA-N 1 0 289.339 2.337 20 5 CEBDRO C[C@H]1CSCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838275 575345198 /nfs/dbraw/zinc/34/51/98/575345198.db2.gz SEORQKCUECAUTK-BXUZGUMPSA-N 1 0 296.392 2.313 20 5 CEBDRO Cc1nn(C)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000125570652 649952205 /nfs/dbraw/zinc/95/22/05/649952205.db2.gz CPBFZBIVKXROIW-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044691236 623239607 /nfs/dbraw/zinc/23/96/07/623239607.db2.gz UZUCMDBLCMLFAF-LLVKDONJSA-N 1 0 252.314 2.418 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCCCC1 ZINC000891792461 623973541 /nfs/dbraw/zinc/97/35/41/623973541.db2.gz IJQTYYYNTWNGLM-LLVKDONJSA-N 1 0 294.355 2.285 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000261985079 624079145 /nfs/dbraw/zinc/07/91/45/624079145.db2.gz RUJXDXJXVMLOGO-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194239 624309103 /nfs/dbraw/zinc/30/91/03/624309103.db2.gz BBEBIYISAFRADS-SKDRFNHKSA-N 1 0 293.348 2.436 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050162644 624543151 /nfs/dbraw/zinc/54/31/51/624543151.db2.gz PFTUTUUXZYBZOU-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000725778721 624776290 /nfs/dbraw/zinc/77/62/90/624776290.db2.gz ONKPSORFZOFSMK-LLVKDONJSA-N 1 0 287.323 2.153 20 5 CEBDRO C[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000725780448 624777312 /nfs/dbraw/zinc/77/73/12/624777312.db2.gz YTQOFWUVKCQRSQ-JTQLQIEISA-N 1 0 260.297 2.244 20 5 CEBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000820651362 634489843 /nfs/dbraw/zinc/48/98/43/634489843.db2.gz FYBLQJHLIJYUBO-LBPRGKRZSA-N 1 0 293.367 2.442 20 5 CEBDRO [NH3+][C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000311867633 627708994 /nfs/dbraw/zinc/70/89/94/627708994.db2.gz RQWBRTJNRWQVLE-VIFPVBQESA-N 1 0 271.267 2.460 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000308675988 627904976 /nfs/dbraw/zinc/90/49/76/627904976.db2.gz OMWXPVACXAMQNQ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CCn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000893070835 627977633 /nfs/dbraw/zinc/97/76/33/627977633.db2.gz XYILZYCJCNGAPR-UHFFFAOYSA-N 1 0 288.351 2.452 20 5 CEBDRO CCn1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000902426112 634647949 /nfs/dbraw/zinc/64/79/49/634647949.db2.gz QOLLEYLIICTUNC-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CNCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428507 634649414 /nfs/dbraw/zinc/64/94/14/634649414.db2.gz DSJASCHUDAHXTI-SCRDCRAPSA-N 1 0 277.368 2.286 20 5 CEBDRO C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931304714 628508339 /nfs/dbraw/zinc/50/83/39/628508339.db2.gz QDCASYVEMKCAGX-IYBDPMFKSA-N 1 0 289.379 2.368 20 5 CEBDRO C[C@@H](CCCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094943895 628883720 /nfs/dbraw/zinc/88/37/20/628883720.db2.gz JQYNYMZZRVANJQ-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000925826121 628905806 /nfs/dbraw/zinc/90/58/06/628905806.db2.gz LZAVDKMQHARWRZ-OUCADQQQSA-N 1 0 293.367 2.012 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941517 629056290 /nfs/dbraw/zinc/05/62/90/629056290.db2.gz SLGFUOWZINGTQU-RISCZKNCSA-N 1 0 291.351 2.134 20 5 CEBDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000791051627 629238488 /nfs/dbraw/zinc/23/84/88/629238488.db2.gz HCBBJNFWGUCHAJ-LLVKDONJSA-N 1 0 252.314 2.355 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000924955798 629293664 /nfs/dbraw/zinc/29/36/64/629293664.db2.gz QUEDLINVWGQKAG-SNVBAGLBSA-N 1 0 291.307 2.485 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975032 629407510 /nfs/dbraw/zinc/40/75/10/629407510.db2.gz QQGBQGGSOBPHFD-ONGXEEELSA-N 1 0 283.759 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@@H]2CCCCO2)cc1 ZINC000894796421 629645183 /nfs/dbraw/zinc/64/51/83/629645183.db2.gz IOVZFVSDMRFZKR-OAHLLOKOSA-N 1 0 294.351 2.270 20 5 CEBDRO Cc1ccnc(N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894849511 629688489 /nfs/dbraw/zinc/68/84/89/629688489.db2.gz PONWTPUMYIBSGA-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ccnc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895100397 629896099 /nfs/dbraw/zinc/89/60/99/629896099.db2.gz CERLQXXQSUGVHC-GFCCVEGCSA-N 1 0 292.383 2.465 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1F ZINC000895191342 630021963 /nfs/dbraw/zinc/02/19/63/630021963.db2.gz NXYGHNLMXACFKX-CMPLNLGQSA-N 1 0 279.315 2.407 20 5 CEBDRO C[C@@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000895734961 630324944 /nfs/dbraw/zinc/32/49/44/630324944.db2.gz BGPVCLBBWBRRSA-ZYHUDNBSSA-N 1 0 290.367 2.373 20 5 CEBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895736305 630325517 /nfs/dbraw/zinc/32/55/17/630325517.db2.gz KDXGHQXUDNNYKT-BXKDBHETSA-N 1 0 277.324 2.302 20 5 CEBDRO CC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895735956 630325805 /nfs/dbraw/zinc/32/58/05/630325805.db2.gz JBMIOACSASAZOV-RNCFNFMXSA-N 1 0 277.324 2.302 20 5 CEBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000896115948 630468928 /nfs/dbraw/zinc/46/89/28/630468928.db2.gz CIMWUZJMTJKMQR-CYBMUJFWSA-N 1 0 281.356 2.282 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000896915003 630801876 /nfs/dbraw/zinc/80/18/76/630801876.db2.gz TUDZGGXDMASKOM-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO CCC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601813 631298122 /nfs/dbraw/zinc/29/81/22/631298122.db2.gz OQMZXMFFSIXGNY-UHFFFAOYSA-N 1 0 264.325 2.438 20 5 CEBDRO C[NH+](C)CCSc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804539445 631701771 /nfs/dbraw/zinc/70/17/71/631701771.db2.gz JLHMEDLGUNUIDR-UHFFFAOYSA-N 1 0 271.298 2.157 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925306119 631762108 /nfs/dbraw/zinc/76/21/08/631762108.db2.gz GPZDOQKTECRVQX-PWSUYJOCSA-N 1 0 292.339 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1 ZINC000925313831 631790279 /nfs/dbraw/zinc/79/02/79/631790279.db2.gz QHPISPMAMSODFG-CQSZACIVSA-N 1 0 292.335 2.023 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897679838 631863266 /nfs/dbraw/zinc/86/32/66/631863266.db2.gz CUPQLVHPRUGKAN-USXITJPFSA-N 1 0 276.336 2.311 20 5 CEBDRO CC[N@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897709361 631879954 /nfs/dbraw/zinc/87/99/54/631879954.db2.gz BNZMHSRIYASNDW-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC(CCO)C1 ZINC000898007927 631999484 /nfs/dbraw/zinc/99/94/84/631999484.db2.gz KSEKBQMWEROWBI-HYXAFXHYSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1ccoc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735270 632134578 /nfs/dbraw/zinc/13/45/78/632134578.db2.gz YPUOPCZLWNITPW-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000898379645 632187561 /nfs/dbraw/zinc/18/75/61/632187561.db2.gz HJVOUXIWHMFOLO-CABCVRRESA-N 1 0 276.336 2.152 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000787989483 632356174 /nfs/dbraw/zinc/35/61/74/632356174.db2.gz RLJSJCIYEFUKBS-UHFFFAOYSA-N 1 0 278.308 2.238 20 5 CEBDRO C[C@@H](NC(=[NH2+])NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000899266693 632763911 /nfs/dbraw/zinc/76/39/11/632763911.db2.gz URNBXYZFRAFMAF-SECBINFHSA-N 1 0 262.313 2.007 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579749 633033047 /nfs/dbraw/zinc/03/30/47/633033047.db2.gz UDEUXZINIAEZQM-YGRLFVJLSA-N 1 0 279.340 2.254 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000905199877 635878021 /nfs/dbraw/zinc/87/80/21/635878021.db2.gz CHAQUXNENGUNBB-UHFFFAOYSA-N 1 0 263.341 2.043 20 5 CEBDRO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585713 633034916 /nfs/dbraw/zinc/03/49/16/633034916.db2.gz PZCXKSDFPBTWCS-VXGBXAGGSA-N 1 0 292.383 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817880062 633750754 /nfs/dbraw/zinc/75/07/54/633750754.db2.gz LDJZGXCRBXWMLN-UHFFFAOYSA-N 1 0 279.315 2.062 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CCC2)c1 ZINC000819146499 634083339 /nfs/dbraw/zinc/08/33/39/634083339.db2.gz QELXCHVALFSZNK-AWEZNQCLSA-N 1 0 264.325 2.408 20 5 CEBDRO CSC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819151039 634084520 /nfs/dbraw/zinc/08/45/20/634084520.db2.gz VSIAVEJMQJABFX-JTQLQIEISA-N 1 0 290.772 2.062 20 5 CEBDRO CC(C)(CCCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206210 634104341 /nfs/dbraw/zinc/10/43/41/634104341.db2.gz XMIYXARQNQELOL-CQSZACIVSA-N 1 0 296.367 2.017 20 5 CEBDRO CC[C@@H](CSC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207794 634105242 /nfs/dbraw/zinc/10/52/42/634105242.db2.gz PBCKZCZNWNDASP-WCQYABFASA-N 1 0 284.381 2.359 20 5 CEBDRO CCC(O)(CC)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819256045 634119037 /nfs/dbraw/zinc/11/90/37/634119037.db2.gz HFAJUZMYVFNCDO-AWEZNQCLSA-N 1 0 296.367 2.159 20 5 CEBDRO CC(C)=CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261500 634119884 /nfs/dbraw/zinc/11/98/84/634119884.db2.gz LDXCDXJWRQNKEY-ZDUSSCGKSA-N 1 0 250.298 2.184 20 5 CEBDRO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819341738 634147245 /nfs/dbraw/zinc/14/72/45/634147245.db2.gz SYJMSALCTHQSQA-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000819353644 634151090 /nfs/dbraw/zinc/15/10/90/634151090.db2.gz GLXQTPVLCXFAJP-DOMZBBRYSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000819367939 634158377 /nfs/dbraw/zinc/15/83/77/634158377.db2.gz LVJALXMYRDSFOK-XWIASGKRSA-N 1 0 282.365 2.112 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000819375158 634161571 /nfs/dbraw/zinc/16/15/71/634161571.db2.gz PZHHHCNQBZGZKJ-CABCVRRESA-N 1 0 296.367 2.279 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903100377 634969478 /nfs/dbraw/zinc/96/94/78/634969478.db2.gz RHMHKVPJGVKEFK-CMPLNLGQSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)C[NH3+])n1 ZINC000822807626 635000130 /nfs/dbraw/zinc/00/01/30/635000130.db2.gz BRXNUGHJVRYADV-QMMMGPOBSA-N 1 0 262.269 2.015 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903227239 635027078 /nfs/dbraw/zinc/02/70/78/635027078.db2.gz OSQOHWUAQYJXDO-NHCYSSNCSA-N 1 0 280.324 2.025 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245663 635027104 /nfs/dbraw/zinc/02/71/04/635027104.db2.gz NIFVOLXMXCXXCP-BXUZGUMPSA-N 1 0 294.351 2.439 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903298970 635046057 /nfs/dbraw/zinc/04/60/57/635046057.db2.gz AUFTUJYRKHWREE-NJZAAPMLSA-N 1 0 294.351 2.358 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000903322121 635055623 /nfs/dbraw/zinc/05/56/23/635055623.db2.gz LMHJXMDJDFAURV-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392986 635089345 /nfs/dbraw/zinc/08/93/45/635089345.db2.gz CTARULKNYNJROR-BXUZGUMPSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000823218259 635101470 /nfs/dbraw/zinc/10/14/70/635101470.db2.gz BQWGHGDCAYHFMM-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000903413048 635105996 /nfs/dbraw/zinc/10/59/96/635105996.db2.gz YYNHIIRDRZUEBC-ZUZCIYMTSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903403452 635111411 /nfs/dbraw/zinc/11/14/11/635111411.db2.gz CLCSKFHXRXVWTN-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903436126 635116757 /nfs/dbraw/zinc/11/67/57/635116757.db2.gz HBLMGYZCCSXQCT-BHYNMZESSA-N 1 0 291.351 2.253 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964586 635399142 /nfs/dbraw/zinc/39/91/42/635399142.db2.gz QZSRKORIHDACMZ-MBNYWOFBSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1cc(N2CC[C@H](CC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000904217437 635516024 /nfs/dbraw/zinc/51/60/24/635516024.db2.gz GCXALJDXGYRWDG-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000904462849 635635759 /nfs/dbraw/zinc/63/57/59/635635759.db2.gz LHMYPMAAPJQAAV-VSKVDJIOSA-N 1 0 275.352 2.196 20 5 CEBDRO O=C(CC[NH2+]C[C@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000905408770 636260679 /nfs/dbraw/zinc/26/06/79/636260679.db2.gz DPALJSYQDQVRSF-LBPRGKRZSA-N 1 0 289.335 2.479 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2C=CCC2)c1 ZINC000905409061 636261263 /nfs/dbraw/zinc/26/12/63/636261263.db2.gz FJNHJSABVVIWPB-FZMZJTMJSA-N 1 0 262.309 2.184 20 5 CEBDRO CCOCC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644917 636380541 /nfs/dbraw/zinc/38/05/41/636380541.db2.gz UHSDTYZTCSVYDK-STQMWFEESA-N 1 0 296.367 2.075 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828838207 636696580 /nfs/dbraw/zinc/69/65/80/636696580.db2.gz ZLYRFIXWUSAZLS-HUUCEWRRSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876515678 650298684 /nfs/dbraw/zinc/29/86/84/650298684.db2.gz VWEUSKKDQSVEIZ-LLVKDONJSA-N 1 0 299.330 2.182 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876530592 650307145 /nfs/dbraw/zinc/30/71/45/650307145.db2.gz WWXWPUDGZWPWFM-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO O=C1OCC[C@H]1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539193 637365214 /nfs/dbraw/zinc/36/52/14/637365214.db2.gz OJSMMFDOTMWRIE-TZMCWYRMSA-N 1 0 290.319 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000834382180 637806712 /nfs/dbraw/zinc/80/67/12/637806712.db2.gz FTTLXGKGXRUIRO-KBPBESRZSA-N 1 0 262.309 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000876659775 650384006 /nfs/dbraw/zinc/38/40/06/650384006.db2.gz FXBLWQFHWYOGLD-GFCCVEGCSA-N 1 0 264.325 2.026 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000911761803 638409738 /nfs/dbraw/zinc/40/97/38/638409738.db2.gz IBXCEROVQCGCSK-UHFFFAOYSA-N 1 0 299.758 2.034 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912272516 638623499 /nfs/dbraw/zinc/62/34/99/638623499.db2.gz PZDDEUXKNAAJKL-HNNXBMFYSA-N 1 0 293.367 2.222 20 5 CEBDRO CCCCOCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876893901 650477177 /nfs/dbraw/zinc/47/71/77/650477177.db2.gz IXGLEGCZBTWNCE-UHFFFAOYSA-N 1 0 296.371 2.291 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187723 639563090 /nfs/dbraw/zinc/56/30/90/639563090.db2.gz JZCPNDDPRDGVMO-DCXZOGHSSA-N 1 0 290.772 2.105 20 5 CEBDRO Cc1c(C[NH2+]CC(C)(C)CCO)cccc1[N+](=O)[O-] ZINC000227950117 639609263 /nfs/dbraw/zinc/60/92/63/639609263.db2.gz NGFAAMKFBAWXHQ-UHFFFAOYSA-N 1 0 266.341 2.401 20 5 CEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000841011126 639617219 /nfs/dbraw/zinc/61/72/19/639617219.db2.gz LPMVUQRCNLQITL-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO [NH3+]C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841028062 639620841 /nfs/dbraw/zinc/62/08/41/639620841.db2.gz KQLOPVMQRDUWSV-LBPRGKRZSA-N 1 0 269.732 2.075 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228279647 639628327 /nfs/dbraw/zinc/62/83/27/639628327.db2.gz OCFZPGOYPPMGQD-DDTOSNHZSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000228559562 639644081 /nfs/dbraw/zinc/64/40/81/639644081.db2.gz DQPIINNZXGFZFZ-UHFFFAOYSA-N 1 0 274.280 2.112 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104531 639680377 /nfs/dbraw/zinc/68/03/77/639680377.db2.gz YBQKRQJXQHMYOF-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233448 639714781 /nfs/dbraw/zinc/71/47/81/639714781.db2.gz UULDBNBIZOZVSJ-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000229808005 639719721 /nfs/dbraw/zinc/71/97/21/639719721.db2.gz LPNCZVQBNSJPAB-OVWNDWIMSA-N 1 0 284.381 2.150 20 5 CEBDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000230680850 639778169 /nfs/dbraw/zinc/77/81/69/639778169.db2.gz IJEPEXWBXOAIEC-SNVBAGLBSA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1c(C[NH2+]CCSCCCO)cccc1[N+](=O)[O-] ZINC000230788391 639785627 /nfs/dbraw/zinc/78/56/27/639785627.db2.gz COAKBDDMWQYWBR-UHFFFAOYSA-N 1 0 284.381 2.108 20 5 CEBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000172964146 639833523 /nfs/dbraw/zinc/83/35/23/639833523.db2.gz XORZCBCUIKRBTF-UHFFFAOYSA-N 1 0 287.323 2.295 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCSCC3)C2)c1 ZINC000877028637 650538248 /nfs/dbraw/zinc/53/82/48/650538248.db2.gz BOWWWPOHKRSXJC-UHFFFAOYSA-N 1 0 296.396 2.228 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000929621871 639998319 /nfs/dbraw/zinc/99/83/19/639998319.db2.gz KWMZJLZRVAXDMV-LLVKDONJSA-N 1 0 254.717 2.406 20 5 CEBDRO C[NH2+]C[C@@H](C)c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000842580734 640107650 /nfs/dbraw/zinc/10/76/50/640107650.db2.gz QDLGLPHKRSGWKQ-SECBINFHSA-N 1 0 290.323 2.200 20 5 CEBDRO CN(CCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843050162 640253591 /nfs/dbraw/zinc/25/35/91/640253591.db2.gz FLAUNRSXKOAIMF-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077574 640271267 /nfs/dbraw/zinc/27/12/67/640271267.db2.gz SUWPIQQXQGWGIO-CORIIIEPSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077578 640271520 /nfs/dbraw/zinc/27/15/20/640271520.db2.gz SUWPIQQXQGWGIO-NJZAAPMLSA-N 1 0 296.367 2.015 20 5 CEBDRO Cc1c(Cc2noc([C@H]3C[C@@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000843191955 640342791 /nfs/dbraw/zinc/34/27/91/640342791.db2.gz PGUVFXGNCKYSJH-PHIMTYICSA-N 1 0 288.307 2.082 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)cs1 ZINC000914433937 640405126 /nfs/dbraw/zinc/40/51/26/640405126.db2.gz YGDTYFYXZDYBPK-QWRGUYRKSA-N 1 0 268.338 2.171 20 5 CEBDRO CC(C)([NH3+])CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000843449060 640434276 /nfs/dbraw/zinc/43/42/76/640434276.db2.gz HXQUQTFEUJTHNH-UHFFFAOYSA-N 1 0 299.758 2.382 20 5 CEBDRO CC1(C)CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877157648 650602041 /nfs/dbraw/zinc/60/20/41/650602041.db2.gz INHLLUQWYOWQQL-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)(CCc1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1)[N+](=O)[O-] ZINC000844920567 640866283 /nfs/dbraw/zinc/86/62/83/640866283.db2.gz SUFARSNDQOLBBC-QWRGUYRKSA-N 1 0 294.355 2.261 20 5 CEBDRO C[C@@H]1[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000845817454 641101984 /nfs/dbraw/zinc/10/19/84/641101984.db2.gz JTLZNCGGILGFEU-ZJUUUORDSA-N 1 0 296.298 2.231 20 5 CEBDRO CC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000846952939 641496519 /nfs/dbraw/zinc/49/65/19/641496519.db2.gz KKQHECZTFAWLAD-UHFFFAOYSA-N 1 0 292.335 2.275 20 5 CEBDRO Cc1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000847828719 641797354 /nfs/dbraw/zinc/79/73/54/641797354.db2.gz SDQCEEDCCVBDBK-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877424741 650714814 /nfs/dbraw/zinc/71/48/14/650714814.db2.gz OGDHQKOIBXKSBB-UHFFFAOYSA-N 1 0 292.335 2.254 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000877441928 650723821 /nfs/dbraw/zinc/72/38/21/650723821.db2.gz UAGNYHRMTVHGOM-UHFFFAOYSA-N 1 0 297.330 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCCCC[NH3+] ZINC000877442203 650723833 /nfs/dbraw/zinc/72/38/33/650723833.db2.gz ZHNWEORQQDFLMZ-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC34CCCC4)C2)c1 ZINC000877476290 650739312 /nfs/dbraw/zinc/73/93/12/650739312.db2.gz AIXPEDCVGBHHBW-XIVSLSHWSA-N 1 0 276.340 2.417 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850312714 642664863 /nfs/dbraw/zinc/66/48/63/642664863.db2.gz ZDLGKADRVAYREL-DUBDDPSESA-N 1 0 292.335 2.443 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC000877574439 650795940 /nfs/dbraw/zinc/79/59/40/650795940.db2.gz JVGYJRINODDWQC-BBCYWQGDSA-N 1 0 276.340 2.131 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1C ZINC000922689098 643205652 /nfs/dbraw/zinc/20/56/52/643205652.db2.gz BRGWEVFNSCOICZ-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nn1C ZINC000922690954 643207496 /nfs/dbraw/zinc/20/74/96/643207496.db2.gz XYSWCUFYDCYAKN-UHFFFAOYSA-N 1 0 292.314 2.108 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000852906044 643594860 /nfs/dbraw/zinc/59/48/60/643594860.db2.gz MVDNZLANGIMPRI-UHFFFAOYSA-N 1 0 295.314 2.044 20 5 CEBDRO CCC[NH+](CCC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000074171494 643602716 /nfs/dbraw/zinc/60/27/16/643602716.db2.gz CCQSIBCTUDNDHB-UHFFFAOYSA-N 1 0 254.334 2.488 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2=CCCC2)c1 ZINC000853115149 643663897 /nfs/dbraw/zinc/66/38/97/643663897.db2.gz FICSQJZYZMYHFQ-AWEZNQCLSA-N 1 0 262.309 2.328 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853125217 643667834 /nfs/dbraw/zinc/66/78/34/643667834.db2.gz NYLOYHVDBIHLTB-GXTWGEPZSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H]3CCCS3)C2)c1 ZINC000877698476 650856598 /nfs/dbraw/zinc/85/65/98/650856598.db2.gz WEEBVTWVYBCYLA-GCZXYKMCSA-N 1 0 296.396 2.370 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536795 643754871 /nfs/dbraw/zinc/75/48/71/643754871.db2.gz QDCYTFYHLSGWRM-OAHLLOKOSA-N 1 0 275.352 2.313 20 5 CEBDRO COc1cc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853474136 643782190 /nfs/dbraw/zinc/78/21/90/643782190.db2.gz HCSWXNPYXYQRDB-GFCCVEGCSA-N 1 0 293.367 2.300 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740940 650884300 /nfs/dbraw/zinc/88/43/00/650884300.db2.gz LIJYJDSKYQRYAQ-GOEBONIOSA-N 1 0 289.379 2.163 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)C2CC2)C2CC2)c1 ZINC000838872617 644058998 /nfs/dbraw/zinc/05/89/98/644058998.db2.gz JHFQRIYBIFUEHI-HNNXBMFYSA-N 1 0 276.336 2.330 20 5 CEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000856762551 644712169 /nfs/dbraw/zinc/71/21/69/644712169.db2.gz TXFFREVCWDCZKW-UHFFFAOYSA-N 1 0 280.284 2.057 20 5 CEBDRO CC(C)[C@H](O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917594 650947373 /nfs/dbraw/zinc/94/73/73/650947373.db2.gz YVZTUXFIACXRPM-CQSZACIVSA-N 1 0 266.341 2.434 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669140 644778118 /nfs/dbraw/zinc/77/81/18/644778118.db2.gz MKCPGMSUNRDBPE-MNOVXSKESA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672378 644779835 /nfs/dbraw/zinc/77/98/35/644779835.db2.gz FVKQADUSYLENOP-JQWIXIFHSA-N 1 0 282.315 2.327 20 5 CEBDRO COC(C)(C)C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000758412640 644927665 /nfs/dbraw/zinc/92/76/65/644927665.db2.gz QYTOQWHKWOTJCD-UHFFFAOYSA-N 1 0 292.339 2.259 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000758484232 644933889 /nfs/dbraw/zinc/93/38/89/644933889.db2.gz CKJMBEGRIDSDQQ-JTQLQIEISA-N 1 0 297.330 2.112 20 5 CEBDRO Cc1c(C[NH2+][C@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000763065092 645499080 /nfs/dbraw/zinc/49/90/80/645499080.db2.gz KPTJRMNYADVNNH-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000763333639 645534391 /nfs/dbraw/zinc/53/43/91/645534391.db2.gz QXGDNMGYDWZITP-GFCCVEGCSA-N 1 0 264.329 2.098 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059221 645686316 /nfs/dbraw/zinc/68/63/16/645686316.db2.gz WYQYNEYKKKXNFB-CABZTGNLSA-N 1 0 293.348 2.436 20 5 CEBDRO C[C@H]1OCC[C@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302929 651060217 /nfs/dbraw/zinc/06/02/17/651060217.db2.gz BDCACFHUYVPRAT-NEPJUHHUSA-N 1 0 276.336 2.378 20 5 CEBDRO C[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000863484604 646740558 /nfs/dbraw/zinc/74/05/58/646740558.db2.gz JWJGPRJJECUFDL-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OCC ZINC000863565551 646757736 /nfs/dbraw/zinc/75/77/36/646757736.db2.gz NDXFKQVOZWHSJS-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)c1 ZINC000863658539 646780938 /nfs/dbraw/zinc/78/09/38/646780938.db2.gz POCDHHYXUZVXFU-KOLCDFICSA-N 1 0 292.270 2.265 20 5 CEBDRO Cc1cc(-c2noc(C3=CC[C@@H]([NH3+])C3)n2)cc([N+](=O)[O-])c1 ZINC000863678388 646789273 /nfs/dbraw/zinc/78/92/73/646789273.db2.gz TZHPYHXBWQCDTF-LLVKDONJSA-N 1 0 286.291 2.458 20 5 CEBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000864618493 647065720 /nfs/dbraw/zinc/06/57/20/647065720.db2.gz INMORHLQOCNEHW-JTQLQIEISA-N 1 0 292.339 2.104 20 5 CEBDRO COCC[N@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579725 647073853 /nfs/dbraw/zinc/07/38/53/647073853.db2.gz OZEBBDFYRGNAQA-OAHLLOKOSA-N 1 0 296.367 2.233 20 5 CEBDRO O=[N+]([O-])c1cc(CO)c(NCC[NH+]2CCCCC2)cc1F ZINC000865444669 647296493 /nfs/dbraw/zinc/29/64/93/647296493.db2.gz WBMRKKUPOVRQQK-UHFFFAOYSA-N 1 0 297.330 2.124 20 5 CEBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000779859367 647365651 /nfs/dbraw/zinc/36/56/51/647365651.db2.gz HEJJLIOIWZQPJL-SNVBAGLBSA-N 1 0 254.334 2.424 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787540 647464546 /nfs/dbraw/zinc/46/45/46/647464546.db2.gz PREDWCVSGPVMPZ-WCFLWFBJSA-N 1 0 292.335 2.190 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000866061071 647592086 /nfs/dbraw/zinc/59/20/86/647592086.db2.gz NEUONNATMLMCQR-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866112874 647614620 /nfs/dbraw/zinc/61/46/20/647614620.db2.gz MRVBPYDDXHLJMS-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO C[N@@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CCC1(C)C ZINC000866113086 647615352 /nfs/dbraw/zinc/61/53/52/647615352.db2.gz SUKFXOXVEIHARC-UHFFFAOYSA-N 1 0 278.356 2.098 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866205558 647668158 /nfs/dbraw/zinc/66/81/58/647668158.db2.gz FSIGKISUFATMMS-CHWSQXEVSA-N 1 0 275.352 2.434 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287527 647718239 /nfs/dbraw/zinc/71/82/39/647718239.db2.gz OFPXSHOGBYBEHB-ZWNOBZJWSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783665120 647745289 /nfs/dbraw/zinc/74/52/89/647745289.db2.gz UPRUWAJNINKGCW-BDAKNGLRSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000866377757 647764354 /nfs/dbraw/zinc/76/43/54/647764354.db2.gz XMHZGLOFCQGOMF-DUFXMDAXSA-N 1 0 282.315 2.168 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C1(CO)CC1 ZINC000866388160 647768698 /nfs/dbraw/zinc/76/86/98/647768698.db2.gz CKJATOJWEAUBTP-GHMZBOCLSA-N 1 0 296.342 2.416 20 5 CEBDRO C[N@H+](C[C@H]1CC=CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000784007398 647785678 /nfs/dbraw/zinc/78/56/78/647785678.db2.gz DRZSDXPQPWYJDF-NSHDSACASA-N 1 0 250.302 2.037 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866612900 647842654 /nfs/dbraw/zinc/84/26/54/647842654.db2.gz DFRUSMOCXOSXBG-ZJUUUORDSA-N 1 0 289.339 2.322 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866725365 647884340 /nfs/dbraw/zinc/88/43/40/647884340.db2.gz SFCJRYLKZQBHLN-KGLIPLIRSA-N 1 0 275.352 2.230 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CO ZINC000785984658 647975493 /nfs/dbraw/zinc/97/54/93/647975493.db2.gz RBCNPTPVHFNWGL-TVQRCGJNSA-N 1 0 284.743 2.451 20 5 CEBDRO CC(C)(C)CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867946135 647998055 /nfs/dbraw/zinc/99/80/55/647998055.db2.gz CDSXXFHIOWSWOT-OAHLLOKOSA-N 1 0 293.367 2.321 20 5 CEBDRO CC[S@](=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000786811449 648046416 /nfs/dbraw/zinc/04/64/16/648046416.db2.gz DBDYHBVRBRVNRP-JTPHSUOKSA-N 1 0 296.392 2.356 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C)C1 ZINC000786817423 648047523 /nfs/dbraw/zinc/04/75/23/648047523.db2.gz XNDLAQPUUAQTQL-UNJUUPHPSA-N 1 0 275.352 2.292 20 5 CEBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000794685592 648903001 /nfs/dbraw/zinc/90/30/01/648903001.db2.gz MCCHJUZTDIPQGE-SNVBAGLBSA-N 1 0 252.318 2.259 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871660693 649137541 /nfs/dbraw/zinc/13/75/41/649137541.db2.gz XSOIFTDCXVHYBK-AWEZNQCLSA-N 1 0 298.346 2.425 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037168 649248992 /nfs/dbraw/zinc/24/89/92/649248992.db2.gz BNGRUHPHOXCJMO-VHSXEESVSA-N 1 0 295.314 2.005 20 5 CEBDRO CON(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083905 649268286 /nfs/dbraw/zinc/26/82/86/649268286.db2.gz DWPZICQSRWOBMR-SNVBAGLBSA-N 1 0 299.396 2.461 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000872126652 649285674 /nfs/dbraw/zinc/28/56/74/649285674.db2.gz PZWXHMABLUHDTE-IJLUTSLNSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129533 649287664 /nfs/dbraw/zinc/28/76/64/649287664.db2.gz KDHWMTGIGNGTCF-HBNTYKKESA-N 1 0 250.298 2.423 20 5 CEBDRO CCC[C@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873052311 649544991 /nfs/dbraw/zinc/54/49/91/649544991.db2.gz VJFKYJMUZFREFL-LBPRGKRZSA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000873074820 649552090 /nfs/dbraw/zinc/55/20/90/649552090.db2.gz RHMWZHLLXWOVGJ-PRWKNARSSA-N 1 0 298.408 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(C)OCCO1 ZINC000873103499 649559031 /nfs/dbraw/zinc/55/90/31/649559031.db2.gz FISSITNCRZFKRS-UHFFFAOYSA-N 1 0 294.351 2.454 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cncn1C ZINC000873126823 649564518 /nfs/dbraw/zinc/56/45/18/649564518.db2.gz DJNMNMJBRSRKEJ-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873320501 649637102 /nfs/dbraw/zinc/63/71/02/649637102.db2.gz XDBJBQGZIZYCEH-JSGCOSHPSA-N 1 0 290.323 2.001 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211917 651629892 /nfs/dbraw/zinc/62/98/92/651629892.db2.gz KBXAUBACAKZHNX-GFCCVEGCSA-N 1 0 289.339 2.343 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000881816644 651892079 /nfs/dbraw/zinc/89/20/79/651892079.db2.gz UYBCTIZZLKTMRL-LLVKDONJSA-N 1 0 294.330 2.194 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130870876 652350742 /nfs/dbraw/zinc/35/07/42/652350742.db2.gz YFPOXZRECGYKJX-JEOXALJRSA-N 1 0 284.381 2.322 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000883320035 652431376 /nfs/dbraw/zinc/43/13/76/652431376.db2.gz YLNATOIRUHKYKF-FOGDFJRCSA-N 1 0 279.340 2.253 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000696569848 805655155 /nfs/dbraw/zinc/65/51/55/805655155.db2.gz AMCPYGDOSXOZON-NSHDSACASA-N 1 0 268.288 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCN2CCC2)c1 ZINC000697430828 806371357 /nfs/dbraw/zinc/37/13/57/806371357.db2.gz QRJFHVGMOPKROC-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO CC1(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168188088 806389778 /nfs/dbraw/zinc/38/97/78/806389778.db2.gz MURUDRNIIPFYMG-UHFFFAOYSA-N 1 0 275.312 2.025 20 5 CEBDRO CCC1(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)COC1 ZINC001168331868 806659187 /nfs/dbraw/zinc/65/91/87/806659187.db2.gz CBMXTABOFXNBRH-UHFFFAOYSA-N 1 0 277.324 2.037 20 5 CEBDRO Cc1c(C[NH2+]CC2CSC2)cccc1[N+](=O)[O-] ZINC000698006370 806901243 /nfs/dbraw/zinc/90/12/43/806901243.db2.gz XUGSRYGJUMRJMH-UHFFFAOYSA-N 1 0 252.339 2.356 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CSC2)c(F)c1 ZINC000698006093 806901271 /nfs/dbraw/zinc/90/12/71/806901271.db2.gz VILYPUGROXQTBA-UHFFFAOYSA-N 1 0 256.302 2.187 20 5 CEBDRO CCCCOC[C@@H](C)OC[C@H](C)OCC[N+](C)(C)C ZINC001224772830 806948641 /nfs/dbraw/zinc/94/86/41/806948641.db2.gz BVVRROQTEMMBDC-CABCVRRESA-N 1 0 276.441 2.320 20 5 CEBDRO COc1cccc2c1[C@@H](OCC[N+](C)(C)C)CCO2 ZINC001224776607 806952827 /nfs/dbraw/zinc/95/28/27/806952827.db2.gz YHZLSPZQNFQUNX-AWEZNQCLSA-N 1 0 266.361 2.242 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])cc2Cl)c1C ZINC001167098423 802472186 /nfs/dbraw/zinc/47/21/86/802472186.db2.gz OHXHLWCMWHKJMV-UHFFFAOYSA-N 1 0 295.730 2.165 20 5 CEBDRO [NH3+]Cc1cccn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167593668 803173956 /nfs/dbraw/zinc/17/39/56/803173956.db2.gz YMTNKDKVOGDZDT-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CCN1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712525044 814762931 /nfs/dbraw/zinc/76/29/31/814762931.db2.gz AZDALVFNOAGSST-QMMMGPOBSA-N 1 0 270.720 2.149 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527790 814763565 /nfs/dbraw/zinc/76/35/65/814763565.db2.gz GWSXQRATRKPFNK-SECBINFHSA-N 1 0 255.705 2.364 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000690779912 803480586 /nfs/dbraw/zinc/48/05/86/803480586.db2.gz PEYFDDJNWKTVSX-NEPJUHHUSA-N 1 0 280.299 2.202 20 5 CEBDRO COC(=O)c1cc(O[C@H](C)C[N+](C)(C)C)ccc1C ZINC001225437614 804879264 /nfs/dbraw/zinc/87/92/64/804879264.db2.gz HZHCRFYVTNYIJV-GFCCVEGCSA-N 1 0 266.361 2.255 20 5 CEBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244499 815077855 /nfs/dbraw/zinc/07/78/55/815077855.db2.gz HIABZLCBEIYVMS-KOLCDFICSA-N 1 0 291.307 2.393 20 5 CEBDRO CC[C@H](C(=O)OCc1cccnc1[N+](=O)[O-])[NH+](CC)CC ZINC001119341127 815095570 /nfs/dbraw/zinc/09/55/70/815095570.db2.gz JQNGSTDXJMNPIZ-GFCCVEGCSA-N 1 0 295.339 2.153 20 5 CEBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccsc3[N+](=O)[O-])[C@H]2C1 ZINC001120922867 807353827 /nfs/dbraw/zinc/35/38/27/807353827.db2.gz RJEFXGWVHXQOQO-LPEHRKFASA-N 1 0 267.354 2.408 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000716847168 815152958 /nfs/dbraw/zinc/15/29/58/815152958.db2.gz REXIMVQVCHCTBP-JQWIXIFHSA-N 1 0 282.340 2.243 20 5 CEBDRO O=C(CC[NH2+][C@@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001120583999 815241057 /nfs/dbraw/zinc/24/10/57/815241057.db2.gz YBMUSIPAKMOVNN-LLVKDONJSA-N 1 0 275.308 2.232 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1CC(=O)N(C)C1 ZINC001168724905 809146903 /nfs/dbraw/zinc/14/69/03/809146903.db2.gz CFJUVFVPNWIYLV-CQSZACIVSA-N 1 0 290.431 2.173 20 5 CEBDRO Nc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120863165 815287417 /nfs/dbraw/zinc/28/74/17/815287417.db2.gz XGLSNKHKIOAUNG-RYUDHWBXSA-N 1 0 291.355 2.001 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC001120884836 815290506 /nfs/dbraw/zinc/29/05/06/815290506.db2.gz QXGXSPHXLOXZBJ-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC001120883128 815290603 /nfs/dbraw/zinc/29/06/03/815290603.db2.gz BFUMWJAHSHBQFF-OLZOCXBDSA-N 1 0 276.340 2.216 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038584 809488630 /nfs/dbraw/zinc/48/86/30/809488630.db2.gz JPBDKXLWAVSAMZ-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702051824 809490488 /nfs/dbraw/zinc/49/04/88/809490488.db2.gz WJQKSUKNMIEHEA-LLVKDONJSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000705989705 809796004 /nfs/dbraw/zinc/79/60/04/809796004.db2.gz FPKXIVOCFDZATI-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000709933168 809975939 /nfs/dbraw/zinc/97/59/39/809975939.db2.gz LKWMRYUTMRCIAZ-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccc(C[NH2+]CC2CSC2)cc1[N+](=O)[O-] ZINC000697967761 810115036 /nfs/dbraw/zinc/11/50/36/810115036.db2.gz IBNVFPRWVPGZRA-UHFFFAOYSA-N 1 0 252.339 2.356 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000092664909 810251881 /nfs/dbraw/zinc/25/18/81/810251881.db2.gz LVAZJXLSZXLCNU-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001119817038 810549213 /nfs/dbraw/zinc/54/92/13/810549213.db2.gz MLFALJAVSLFMDK-ZIAGYGMSSA-N 1 0 282.315 2.254 20 5 CEBDRO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252828 815396008 /nfs/dbraw/zinc/39/60/08/815396008.db2.gz YTOFEANBTFOKQY-LLVKDONJSA-N 1 0 291.351 2.291 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712338252 811198076 /nfs/dbraw/zinc/19/80/76/811198076.db2.gz URBQEPJIURSOIJ-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712338201 811198557 /nfs/dbraw/zinc/19/85/57/811198557.db2.gz UDQOLFPANMPVFG-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cccc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001168834105 811262820 /nfs/dbraw/zinc/26/28/20/811262820.db2.gz DQHAMBGNWOZRBC-UHFFFAOYSA-N 1 0 272.308 2.395 20 5 CEBDRO [NH3+][C@@H]1CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001156233800 811296524 /nfs/dbraw/zinc/29/65/24/811296524.db2.gz XPPCGYOHIHHMJN-SECBINFHSA-N 1 0 292.726 2.334 20 5 CEBDRO CC1(C)CC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)N1O ZINC001168976223 811304571 /nfs/dbraw/zinc/30/45/71/811304571.db2.gz ZSFONCLLDQIXLK-VXGBXAGGSA-N 1 0 299.415 2.432 20 5 CEBDRO [NH3+]Cc1cccc2c1cnn2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976764 811305156 /nfs/dbraw/zinc/30/51/56/811305156.db2.gz GHGHSZUIYRRDCL-PWSUYJOCSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC001168979914 811308324 /nfs/dbraw/zinc/30/83/24/811308324.db2.gz CDTLWDDZJMIHNV-YUTCNCBUSA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C1 ZINC001168984348 811310692 /nfs/dbraw/zinc/31/06/92/811310692.db2.gz MGCOLAHAECHGDD-BPNCWPANSA-N 1 0 298.770 2.408 20 5 CEBDRO COc1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957497 811313026 /nfs/dbraw/zinc/31/30/26/811313026.db2.gz IISZSYJLFOMDST-AAEUAGOBSA-N 1 0 264.325 2.230 20 5 CEBDRO Cc1cccn2c(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cnc12 ZINC001168963932 811317367 /nfs/dbraw/zinc/31/73/67/811317367.db2.gz QQEKIDHAVVJMIC-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967912 811319848 /nfs/dbraw/zinc/31/98/48/811319848.db2.gz UMWNUYQUNFKJKM-JSGCOSHPSA-N 1 0 292.335 2.008 20 5 CEBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967911 811320032 /nfs/dbraw/zinc/32/00/32/811320032.db2.gz UMWNUYQUNFKJKM-GXTWGEPZSA-N 1 0 292.335 2.008 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccc(F)cc2)C1 ZINC001168968842 811320430 /nfs/dbraw/zinc/32/04/30/811320430.db2.gz AOOGZZTXXPPYID-KCPJHIHWSA-N 1 0 296.342 2.284 20 5 CEBDRO Cc1ccnc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996944 811324293 /nfs/dbraw/zinc/32/42/93/811324293.db2.gz ADJRKXNTSNZFAF-UONOGXRCSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ncccc3F)CC2)C1 ZINC001168997337 811326498 /nfs/dbraw/zinc/32/64/98/811326498.db2.gz CHNINJVAGKNKHK-NWDGAFQWSA-N 1 0 293.342 2.287 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ncccc3F)CC2)C1 ZINC001168997339 811326661 /nfs/dbraw/zinc/32/66/61/811326661.db2.gz CHNINJVAGKNKHK-RYUDHWBXSA-N 1 0 293.342 2.287 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cc(Cl)ccn2)C1 ZINC001169005450 811330737 /nfs/dbraw/zinc/33/07/37/811330737.db2.gz UMIJESLKZBCUJK-ZYHUDNBSSA-N 1 0 299.758 2.149 20 5 CEBDRO COCCc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168987477 811335708 /nfs/dbraw/zinc/33/57/08/811335708.db2.gz IYILSVFCJHXJQC-HZPDHXFCSA-N 1 0 292.379 2.411 20 5 CEBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)no1 ZINC001169013635 811336150 /nfs/dbraw/zinc/33/61/50/811336150.db2.gz VUSJYKOMBHXDIN-XQQFMLRXSA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ocnc3c2)C1 ZINC001168988902 811337749 /nfs/dbraw/zinc/33/77/49/811337749.db2.gz UXUCJGDJKGPJBJ-NEPJUHHUSA-N 1 0 275.308 2.363 20 5 CEBDRO COC(=O)CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168987992 811338289 /nfs/dbraw/zinc/33/82/89/811338289.db2.gz MEUKZIVTRUSWII-QWHCGFSZSA-N 1 0 298.383 2.287 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC001168988862 811338499 /nfs/dbraw/zinc/33/84/99/811338499.db2.gz UGNYAYSNCINADQ-CHWSQXEVSA-N 1 0 270.373 2.371 20 5 CEBDRO CCOC(=O)C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168989863 811339351 /nfs/dbraw/zinc/33/93/51/811339351.db2.gz XEZCZIJGVSFWBS-QWHCGFSZSA-N 1 0 298.383 2.287 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169027697 811341468 /nfs/dbraw/zinc/34/14/68/811341468.db2.gz CTQAVHSLPVUNDJ-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001169030363 811345032 /nfs/dbraw/zinc/34/50/32/811345032.db2.gz ZBWJDVHEYUOBOD-GXTWGEPZSA-N 1 0 276.336 2.326 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC001169036319 811345543 /nfs/dbraw/zinc/34/55/43/811345543.db2.gz NJUVHHSNDOCKRO-KXUCPTDWSA-N 1 0 266.263 2.316 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001169036321 811346050 /nfs/dbraw/zinc/34/60/50/811346050.db2.gz NJUVHHSNDOCKRO-OPRDCNLKSA-N 1 0 266.263 2.316 20 5 CEBDRO CC(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169056852 811358028 /nfs/dbraw/zinc/35/80/28/811358028.db2.gz TXEODAPRJSYJFY-GXTWGEPZSA-N 1 0 270.373 2.321 20 5 CEBDRO CC(C)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054307 811358837 /nfs/dbraw/zinc/35/88/37/811358837.db2.gz LLIVJFWEGPSBHL-ZFWWWQNUSA-N 1 0 283.416 2.236 20 5 CEBDRO Cc1cc(NCC23CC[NH+](CC2)CC3)ncc1[N+](=O)[O-] ZINC001169796168 811673600 /nfs/dbraw/zinc/67/36/00/811673600.db2.gz YOHLOFIQDGUFCN-UHFFFAOYSA-N 1 0 276.340 2.196 20 5 CEBDRO Cc1ccc2c(ccnc2NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001170252471 812371634 /nfs/dbraw/zinc/37/16/34/812371634.db2.gz NHYVVBSTRVFRFQ-UHFFFAOYSA-N 1 0 286.335 2.425 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccno2)c([N+](=O)[O-])c1 ZINC001170298952 812376648 /nfs/dbraw/zinc/37/66/48/812376648.db2.gz OOINQSICXLBFJZ-SNVBAGLBSA-N 1 0 291.307 2.312 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170299212 812377276 /nfs/dbraw/zinc/37/72/76/812377276.db2.gz SJKOUEUHISQHQC-WXHSDQCUSA-N 1 0 294.351 2.037 20 5 CEBDRO COC[C@H]1CC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355378 812391457 /nfs/dbraw/zinc/39/14/57/812391457.db2.gz BXERBOBEHWDKCM-WCQYABFASA-N 1 0 294.351 2.255 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170347969 812398776 /nfs/dbraw/zinc/39/87/76/812398776.db2.gz UBMKMNDVIIKOMG-WCQYABFASA-N 1 0 294.351 2.255 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)CC2 ZINC001172902155 815539291 /nfs/dbraw/zinc/53/92/91/815539291.db2.gz WCKJFFDYPHAXMZ-TUKIKUTGSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901868 815539332 /nfs/dbraw/zinc/53/93/32/815539332.db2.gz QMLMGMONTSDEQP-FMKPAKJESA-N 1 0 290.363 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC001172900546 815539837 /nfs/dbraw/zinc/53/98/37/815539837.db2.gz VLUAUYSGFRCUEH-IUODEOHRSA-N 1 0 290.363 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC001172895808 815543129 /nfs/dbraw/zinc/54/31/29/815543129.db2.gz JCCRVDBILOFURU-UONOGXRCSA-N 1 0 276.336 2.221 20 5 CEBDRO COCC1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909621 815557577 /nfs/dbraw/zinc/55/75/77/815557577.db2.gz UBRRWQMMOVMRCJ-HNNXBMFYSA-N 1 0 290.363 2.420 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170864964 813561330 /nfs/dbraw/zinc/56/13/30/813561330.db2.gz BAAZXHMHRKWYJM-CQSZACIVSA-N 1 0 275.308 2.217 20 5 CEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001160144381 813730215 /nfs/dbraw/zinc/73/02/15/813730215.db2.gz CVVKGZNHFQUAFL-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136653202 813733525 /nfs/dbraw/zinc/73/35/25/813733525.db2.gz OJBBQFRHAWSCSB-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CC[NH3+] ZINC001173215141 815623452 /nfs/dbraw/zinc/62/34/52/815623452.db2.gz SYLNLBKRLDWWPB-LLVKDONJSA-N 1 0 274.324 2.096 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1CO ZINC001173218351 815624675 /nfs/dbraw/zinc/62/46/75/815624675.db2.gz AJULCJXQGNQJHR-WHOFXGATSA-N 1 0 278.352 2.276 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173217850 815624710 /nfs/dbraw/zinc/62/47/10/815624710.db2.gz MRYFVVPAKCCFRF-WCFLWFBJSA-N 1 0 292.335 2.067 20 5 CEBDRO CCN(CC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217308 815624850 /nfs/dbraw/zinc/62/48/50/815624850.db2.gz SJGIWHFVMALHFR-ZDUSSCGKSA-N 1 0 279.384 2.457 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001173221979 815625974 /nfs/dbraw/zinc/62/59/74/815625974.db2.gz OBRLLYJKOIPWLD-YUELXQCFSA-N 1 0 290.363 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001173220725 815626629 /nfs/dbraw/zinc/62/66/29/815626629.db2.gz BXMLUBZNBXVQSY-DFBGVHRSSA-N 1 0 296.342 2.321 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC[C@@H]1F ZINC001173230034 815631420 /nfs/dbraw/zinc/63/14/20/815631420.db2.gz PXUDDNQUHDMUCV-LEWSCRJBSA-N 1 0 282.315 2.242 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]12CCOC2 ZINC001173233374 815632672 /nfs/dbraw/zinc/63/26/72/815632672.db2.gz VZAHLRRYSDHCTD-IUODEOHRSA-N 1 0 276.336 2.391 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnn(C)c1 ZINC001173230569 815633067 /nfs/dbraw/zinc/63/30/67/815633067.db2.gz YYEJOLDXIANAJY-LBPRGKRZSA-N 1 0 288.351 2.391 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC001173209449 815634937 /nfs/dbraw/zinc/63/49/37/815634937.db2.gz CBKXZVUVWXHKIU-KYOSRNDESA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001173210573 815635496 /nfs/dbraw/zinc/63/54/96/815635496.db2.gz LTHUZKHVUXPWJV-UXIGCNINSA-N 1 0 278.352 2.419 20 5 CEBDRO COC(=O)CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211650 815635650 /nfs/dbraw/zinc/63/56/50/815635650.db2.gz URAHTSSNGXRDLG-LLVKDONJSA-N 1 0 280.324 2.069 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncn1 ZINC001173213924 815636693 /nfs/dbraw/zinc/63/66/93/815636693.db2.gz MBNHUBBXVCQEOH-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(=O)C1 ZINC001173214662 815637136 /nfs/dbraw/zinc/63/71/36/815637136.db2.gz DJWIALBBOHLXBE-JTQLQIEISA-N 1 0 262.309 2.095 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000124446652 187137732 /nfs/dbraw/zinc/13/77/32/187137732.db2.gz LTZFDCLRBSGDCG-CQSZACIVSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000601305757 346816087 /nfs/dbraw/zinc/81/60/87/346816087.db2.gz ZMWFVKODQNEDOD-ZLDLUXBVSA-N 1 0 278.352 2.419 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000601303527 346816183 /nfs/dbraw/zinc/81/61/83/346816183.db2.gz FSLDSKYKTMHCDG-XDTLVQLUSA-N 1 0 280.324 2.167 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127720070 187328650 /nfs/dbraw/zinc/32/86/50/187328650.db2.gz HJOKXZRWCPAACI-ZDUSSCGKSA-N 1 0 279.340 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000127727541 187329552 /nfs/dbraw/zinc/32/95/52/187329552.db2.gz CDKDMLRDIUTCJG-AWEZNQCLSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[C@H]([NH2+]CCCNC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000121400695 365564422 /nfs/dbraw/zinc/56/44/22/365564422.db2.gz NXUVMDWIUKPTAU-AWEZNQCLSA-N 1 0 279.340 2.162 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCCCO ZINC000449123218 282109544 /nfs/dbraw/zinc/10/95/44/282109544.db2.gz BQMOKGRIYBXDQE-GFCCVEGCSA-N 1 0 298.408 2.231 20 5 CEBDRO Cc1cnn(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449125306 282109941 /nfs/dbraw/zinc/10/99/41/282109941.db2.gz IWIZDLDYDPJAIU-ZDUSSCGKSA-N 1 0 288.351 2.321 20 5 CEBDRO C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000034993935 361802395 /nfs/dbraw/zinc/80/23/95/361802395.db2.gz CLXLIPSECNFECD-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000035121768 361817014 /nfs/dbraw/zinc/81/70/14/361817014.db2.gz FQWDLPKPJMPLFM-NSHDSACASA-N 1 0 283.376 2.251 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125433345 187184390 /nfs/dbraw/zinc/18/43/90/187184390.db2.gz PEUXAJNPDXHRTA-IUODEOHRSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1C ZINC000449217138 282144961 /nfs/dbraw/zinc/14/49/61/282144961.db2.gz XDQIYORMZIBNBU-MDZLAQPJSA-N 1 0 264.325 2.293 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC(F)F)c(F)c1 ZINC000337868690 214294080 /nfs/dbraw/zinc/29/40/80/214294080.db2.gz PPRQKROGVBNHSZ-UHFFFAOYSA-N 1 0 278.230 2.453 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccncc1 ZINC000037871550 361957830 /nfs/dbraw/zinc/95/78/30/361957830.db2.gz ATBOOPAEKBGSMN-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO CC1CC[NH+](CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000040772405 361997495 /nfs/dbraw/zinc/99/74/95/361997495.db2.gz HOUGTDUQQBQTJB-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745830 187198274 /nfs/dbraw/zinc/19/82/74/187198274.db2.gz ZAKYQYLDKDMNPY-IUODEOHRSA-N 1 0 294.351 2.035 20 5 CEBDRO CCOc1cc(N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000080761527 344023605 /nfs/dbraw/zinc/02/36/05/344023605.db2.gz TYLYLIXXCXYRSZ-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000041664533 362046192 /nfs/dbraw/zinc/04/61/92/362046192.db2.gz NUPFLXQMXZAPGX-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000126496103 187243819 /nfs/dbraw/zinc/24/38/19/187243819.db2.gz VYDBSPCPABQNSP-LLVKDONJSA-N 1 0 293.367 2.469 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426088 282231380 /nfs/dbraw/zinc/23/13/80/282231380.db2.gz QRPOVEUCWRRYMF-KGLIPLIRSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493505 282257284 /nfs/dbraw/zinc/25/72/84/282257284.db2.gz DZWXRSDMCNWCNS-BXUZGUMPSA-N 1 0 294.351 2.460 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000031825648 343410056 /nfs/dbraw/zinc/41/00/56/343410056.db2.gz MBSBVZGHKARAOE-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000037563247 343427887 /nfs/dbraw/zinc/42/78/87/343427887.db2.gz UZNICMLBDFSHKC-JTQLQIEISA-N 1 0 295.364 2.061 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCn2ccnc2)cs1 ZINC000045106384 343480770 /nfs/dbraw/zinc/48/07/70/343480770.db2.gz TZXUQESSYIBXSW-UHFFFAOYSA-N 1 0 280.353 2.423 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000048752120 343532491 /nfs/dbraw/zinc/53/24/91/343532491.db2.gz ZOJQRHYWPOHHGU-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC000049238172 343536157 /nfs/dbraw/zinc/53/61/57/343536157.db2.gz NBUPOVVDOAIAMR-SNVBAGLBSA-N 1 0 277.324 2.264 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@H](C)O ZINC000449543720 282278101 /nfs/dbraw/zinc/27/81/01/282278101.db2.gz OTCLNRAJSNYSMO-GXFFZTMASA-N 1 0 282.340 2.243 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000601969787 346946414 /nfs/dbraw/zinc/94/64/14/346946414.db2.gz FLMACCMIUDTMRR-CYBMUJFWSA-N 1 0 277.368 2.463 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449547940 282279642 /nfs/dbraw/zinc/27/96/42/282279642.db2.gz ZCRFZSDACJWLBZ-LOWVWBTDSA-N 1 0 266.341 2.275 20 5 CEBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000057288706 343628368 /nfs/dbraw/zinc/62/83/68/343628368.db2.gz FUYCDZKIGGFCDV-UHFFFAOYSA-N 1 0 295.339 2.184 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000063863565 343685187 /nfs/dbraw/zinc/68/51/87/343685187.db2.gz NUXKWXAYCRVPAS-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602174299 346988275 /nfs/dbraw/zinc/98/82/75/346988275.db2.gz TVMLXSLJFMGLPY-CHWSQXEVSA-N 1 0 291.351 2.053 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000072521981 343804709 /nfs/dbraw/zinc/80/47/09/343804709.db2.gz UKZBFAKEHGSATI-LLVKDONJSA-N 1 0 276.296 2.298 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000449649662 282318960 /nfs/dbraw/zinc/31/89/60/282318960.db2.gz SFADTMHUDBOOQY-YPMHNXCESA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449643845 282316819 /nfs/dbraw/zinc/31/68/19/282316819.db2.gz ZKGJYVOJOQYSHB-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1sc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449646047 282317845 /nfs/dbraw/zinc/31/78/45/282317845.db2.gz MZPYCPLDMIUAGF-VHSXEESVSA-N 1 0 297.380 2.212 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000127141697 187284931 /nfs/dbraw/zinc/28/49/31/187284931.db2.gz PZLDMEGLQJHHOJ-KGLIPLIRSA-N 1 0 264.325 2.330 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088719019 344112991 /nfs/dbraw/zinc/11/29/91/344112991.db2.gz FDYGWQNETYSLEV-CYBMUJFWSA-N 1 0 293.367 2.426 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688690 344078721 /nfs/dbraw/zinc/07/87/21/344078721.db2.gz UHTZMHWLBPGBRS-UHFFFAOYSA-N 1 0 293.323 2.377 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000091485383 344165907 /nfs/dbraw/zinc/16/59/07/344165907.db2.gz XSUZSUGIIZOCIK-FZMZJTMJSA-N 1 0 263.341 2.371 20 5 CEBDRO Cc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092969751 344208310 /nfs/dbraw/zinc/20/83/10/344208310.db2.gz WMSWIVKIPXBCEA-GFCCVEGCSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092471396 344191120 /nfs/dbraw/zinc/19/11/20/344191120.db2.gz GPXABBYBYQQMPJ-SNVBAGLBSA-N 1 0 280.324 2.454 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CCC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000602466917 347044264 /nfs/dbraw/zinc/04/42/64/347044264.db2.gz PUZYRYWRZNZYOF-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122530244 344307054 /nfs/dbraw/zinc/30/70/54/344307054.db2.gz CMEWLHRZVMRHLH-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151744588 344423042 /nfs/dbraw/zinc/42/30/42/344423042.db2.gz WOCWCKLHNTYRTK-UHFFFAOYSA-N 1 0 293.367 2.032 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134934268 344378446 /nfs/dbraw/zinc/37/84/46/344378446.db2.gz FPGWJQIZNFUSMY-NSHDSACASA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142906423 344404304 /nfs/dbraw/zinc/40/43/04/344404304.db2.gz OSPPAFVYPJQRHV-GFCCVEGCSA-N 1 0 261.325 2.269 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000228112350 344558869 /nfs/dbraw/zinc/55/88/69/344558869.db2.gz VEEMRZYLOKRYBM-GZBFAFLISA-N 1 0 276.336 2.106 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229964999 344569578 /nfs/dbraw/zinc/56/95/78/344569578.db2.gz PXTUESVVIAPCJK-CYBMUJFWSA-N 1 0 289.339 2.229 20 5 CEBDRO CC(C)([NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000236837715 344598116 /nfs/dbraw/zinc/59/81/16/344598116.db2.gz RUDGPKHGCFWBQV-UHFFFAOYSA-N 1 0 279.340 2.074 20 5 CEBDRO COc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000314976633 344746967 /nfs/dbraw/zinc/74/69/67/344746967.db2.gz TVNXYWWAJNRCMI-TXEJJXNPSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)O ZINC000305153121 344709721 /nfs/dbraw/zinc/70/97/21/344709721.db2.gz UTRRQUXOBVGYAJ-NEPJUHHUSA-N 1 0 266.341 2.276 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000322469519 344753181 /nfs/dbraw/zinc/75/31/81/344753181.db2.gz GJHSNMXZNXKRHL-KYZUINATSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602555088 347074868 /nfs/dbraw/zinc/07/48/68/347074868.db2.gz OHKXBULZPMPMOV-LDYMZIIASA-N 1 0 297.742 2.119 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602556464 347075285 /nfs/dbraw/zinc/07/52/85/347075285.db2.gz UMXRUJUHXARVMH-GWCFXTLKSA-N 1 0 291.351 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000602569238 347081819 /nfs/dbraw/zinc/08/18/19/347081819.db2.gz PRKCTIQSSQXIBI-IAGOWNOFSA-N 1 0 298.342 2.385 20 5 CEBDRO C[N@H+](CCNc1ncc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000401227216 344867716 /nfs/dbraw/zinc/86/77/16/344867716.db2.gz YHJCRXMDUIIMRX-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602576484 347085669 /nfs/dbraw/zinc/08/56/69/347085669.db2.gz OEDNMCRABRRDIV-CQSZACIVSA-N 1 0 291.307 2.395 20 5 CEBDRO Cc1cc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602577053 347085739 /nfs/dbraw/zinc/08/57/39/347085739.db2.gz FTCQPPGRVDZSRB-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000588071898 345037534 /nfs/dbraw/zinc/03/75/34/345037534.db2.gz NTLOOZCGBUIGCB-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000054364649 362532640 /nfs/dbraw/zinc/53/26/40/362532640.db2.gz HRTWCLYFCMFAMZ-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000590692743 345161923 /nfs/dbraw/zinc/16/19/23/345161923.db2.gz NSKGDMGBDUWFFX-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591271658 345236936 /nfs/dbraw/zinc/23/69/36/345236936.db2.gz HJHYRMROWCJIJT-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282850 345237168 /nfs/dbraw/zinc/23/71/68/345237168.db2.gz UQQLGSQKUVAJET-ZDUSSCGKSA-N 1 0 275.352 2.359 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437013 345253613 /nfs/dbraw/zinc/25/36/13/345253613.db2.gz DMDZZLMADDZDEO-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000590872385 345193162 /nfs/dbraw/zinc/19/31/62/345193162.db2.gz LQEAKZHABZFUTG-JTQLQIEISA-N 1 0 294.355 2.304 20 5 CEBDRO O=[N+]([O-])c1cccc(CCc2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592357163 345344525 /nfs/dbraw/zinc/34/45/25/345344525.db2.gz RRYQUWQTPOLMRT-GFCCVEGCSA-N 1 0 288.307 2.188 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592357381 345344705 /nfs/dbraw/zinc/34/47/05/345344705.db2.gz ZGDDXWNQMIQMEL-SNVBAGLBSA-N 1 0 290.279 2.078 20 5 CEBDRO Cc1ccccc1C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000592139820 345328718 /nfs/dbraw/zinc/32/87/18/345328718.db2.gz IXLIJEPZOTVAGG-UHFFFAOYSA-N 1 0 286.335 2.379 20 5 CEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000593204856 345453683 /nfs/dbraw/zinc/45/36/83/345453683.db2.gz RNWOSYPPPCVVEA-UHFFFAOYSA-N 1 0 299.396 2.364 20 5 CEBDRO Cc1nn(C)c(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593480153 345494804 /nfs/dbraw/zinc/49/48/04/345494804.db2.gz NBTOBZFEEYLCLY-UHFFFAOYSA-N 1 0 283.376 2.027 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000593514842 345501462 /nfs/dbraw/zinc/50/14/62/345501462.db2.gz BBJPKWOUNRHPOK-UHFFFAOYSA-N 1 0 296.346 2.238 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2(CO)CCC2)c1 ZINC000593692775 345522055 /nfs/dbraw/zinc/52/20/55/345522055.db2.gz DXSRQMVUPOOBDJ-UHFFFAOYSA-N 1 0 264.325 2.237 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000593758193 345533712 /nfs/dbraw/zinc/53/37/12/345533712.db2.gz JVYWOOOUMCZTFK-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO CCOc1cc(C[N@H+](C[C@@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594065129 345577017 /nfs/dbraw/zinc/57/70/17/345577017.db2.gz OSAOCIQOMFXZEV-LLVKDONJSA-N 1 0 294.351 2.339 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000594600476 345657059 /nfs/dbraw/zinc/65/70/59/345657059.db2.gz LJZOJOQEWRAYTC-OLZOCXBDSA-N 1 0 276.340 2.419 20 5 CEBDRO C[C@H](O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613152 345661790 /nfs/dbraw/zinc/66/17/90/345661790.db2.gz ABMDTWDMIOAGOZ-RNZFLTOJSA-N 1 0 276.336 2.453 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594516668 345642284 /nfs/dbraw/zinc/64/22/84/345642284.db2.gz YPNXHWFVBRMUNO-UHFFFAOYSA-N 1 0 268.288 2.250 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594592178 345653873 /nfs/dbraw/zinc/65/38/73/345653873.db2.gz NSKFDQGPSLIVDG-VDISTLRHSA-N 1 0 293.367 2.493 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000594594218 345654007 /nfs/dbraw/zinc/65/40/07/345654007.db2.gz MAMYIPXMIDGTBV-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594708831 345675689 /nfs/dbraw/zinc/67/56/89/345675689.db2.gz CBILISHKIUSSAI-YWPYICTPSA-N 1 0 294.351 2.297 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000595068074 345739026 /nfs/dbraw/zinc/73/90/26/345739026.db2.gz ODLMRXYGRYACGX-QWRGUYRKSA-N 1 0 294.351 2.415 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595106154 345742809 /nfs/dbraw/zinc/74/28/09/345742809.db2.gz JYRCTQBUZDWVJQ-BYNQJWBRSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000595104744 345742890 /nfs/dbraw/zinc/74/28/90/345742890.db2.gz TWJVGJLWFWUMOL-DRZSPHRISA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595264377 345751334 /nfs/dbraw/zinc/75/13/34/345751334.db2.gz WQAQATAORBZNSR-JTQLQIEISA-N 1 0 294.355 2.035 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnn3c2CCC3)c1 ZINC000594935613 345708915 /nfs/dbraw/zinc/70/89/15/345708915.db2.gz IZHXNCFFWVIVRK-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO Cc1nnsc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000602580359 347087343 /nfs/dbraw/zinc/08/73/43/347087343.db2.gz MLZDFEVNSDJSNW-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCC1 ZINC000594957815 345716637 /nfs/dbraw/zinc/71/66/37/345716637.db2.gz UZGWZXYQIFVULS-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594988012 345722763 /nfs/dbraw/zinc/72/27/63/345722763.db2.gz NOSUUQOSTKUYOL-STQMWFEESA-N 1 0 280.299 2.127 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CCO ZINC000595029773 345730787 /nfs/dbraw/zinc/73/07/87/345730787.db2.gz YJEAUMWSVIGUKO-WDEREUQCSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000595051637 345735398 /nfs/dbraw/zinc/73/53/98/345735398.db2.gz QKWHROYFHWKKQE-SNVBAGLBSA-N 1 0 290.323 2.220 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000595056956 345736255 /nfs/dbraw/zinc/73/62/55/345736255.db2.gz UNOIJCXIORVZCX-HZMBPMFUSA-N 1 0 294.351 2.415 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595061584 345737363 /nfs/dbraw/zinc/73/73/63/345737363.db2.gz RVHIQFKQRZNNFX-UXIGCNINSA-N 1 0 294.351 2.297 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407147 345775419 /nfs/dbraw/zinc/77/54/19/345775419.db2.gz HYTBEXRJQJIEFS-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595433446 345781452 /nfs/dbraw/zinc/78/14/52/345781452.db2.gz WPGJJOQUVWMZDU-GFCCVEGCSA-N 1 0 270.304 2.495 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595464681 345789723 /nfs/dbraw/zinc/78/97/23/345789723.db2.gz LFCNMIIDESUMHL-CYBMUJFWSA-N 1 0 283.328 2.282 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](n2cccn2)C1 ZINC000595495563 345796014 /nfs/dbraw/zinc/79/60/14/345796014.db2.gz VIXHQQPMAVICLP-CYBMUJFWSA-N 1 0 290.298 2.377 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000595509176 345799459 /nfs/dbraw/zinc/79/94/59/345799459.db2.gz DAWNIRZFVOOYJB-SECBINFHSA-N 1 0 270.304 2.325 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529666 345804320 /nfs/dbraw/zinc/80/43/20/345804320.db2.gz QZHSUNSDKFFTAH-AAEUAGOBSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595687474 345848628 /nfs/dbraw/zinc/84/86/28/345848628.db2.gz ANCUTWNQAXJCCP-GASCZTMLSA-N 1 0 276.336 2.453 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595613719 345828157 /nfs/dbraw/zinc/82/81/57/345828157.db2.gz AIMUOLWLGPULII-ZDUSSCGKSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835830 345892226 /nfs/dbraw/zinc/89/22/26/345892226.db2.gz WALHWFJNNUHCHI-GHMZBOCLSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)sn1 ZINC000602581585 347087967 /nfs/dbraw/zinc/08/79/67/347087967.db2.gz UWQYOPNIDHXMTE-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c2c(c1)COCO2 ZINC000595809035 345880729 /nfs/dbraw/zinc/88/07/29/345880729.db2.gz RFRZXEBLIQEOEU-GHMZBOCLSA-N 1 0 290.319 2.303 20 5 CEBDRO CC(C)[NH+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596054302 345929193 /nfs/dbraw/zinc/92/91/93/345929193.db2.gz CZBXJZWZNNHINQ-UHFFFAOYSA-N 1 0 282.344 2.226 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOCCF ZINC000596057882 345929620 /nfs/dbraw/zinc/92/96/20/345929620.db2.gz XPHHLLQGJLTXOA-UHFFFAOYSA-N 1 0 286.303 2.069 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595873714 345904009 /nfs/dbraw/zinc/90/40/09/345904009.db2.gz MTBFTSSCDMXWPJ-ABAIWWIYSA-N 1 0 294.351 2.054 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000595911102 345911466 /nfs/dbraw/zinc/91/14/66/345911466.db2.gz MWXRBVYYFWICJR-UHFFFAOYSA-N 1 0 298.346 2.412 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108096 345941307 /nfs/dbraw/zinc/94/13/07/345941307.db2.gz UTFVDONKJWXKGX-NEPJUHHUSA-N 1 0 265.357 2.113 20 5 CEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596425627 346020094 /nfs/dbraw/zinc/02/00/94/346020094.db2.gz SPRBFRYMFPUYNB-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596309898 345996541 /nfs/dbraw/zinc/99/65/41/345996541.db2.gz ZSSHAKZNQJAHBP-LLVKDONJSA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596488844 346036730 /nfs/dbraw/zinc/03/67/30/346036730.db2.gz SFDSJIPLVOARQP-NSHDSACASA-N 1 0 294.355 2.228 20 5 CEBDRO CO[C@@]1(C)C[C@H]1Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000596538763 346049389 /nfs/dbraw/zinc/04/93/89/346049389.db2.gz GAKBUHPELLQHKW-CABCVRRESA-N 1 0 287.319 2.463 20 5 CEBDRO CC[C@@H](N[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655724 346073684 /nfs/dbraw/zinc/07/36/84/346073684.db2.gz XSOCIKHYEOKCBY-ZWNOBZJWSA-N 1 0 251.330 2.243 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000597206443 346148092 /nfs/dbraw/zinc/14/80/92/346148092.db2.gz ROVGWAVEVCJLPK-VXGBXAGGSA-N 1 0 278.352 2.352 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040479 346274045 /nfs/dbraw/zinc/27/40/45/346274045.db2.gz GCMDHXCGNSYUIG-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295145647 199371350 /nfs/dbraw/zinc/37/13/50/199371350.db2.gz QLTMPXCHHNURCS-SECBINFHSA-N 1 0 258.343 2.155 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062161051 362713790 /nfs/dbraw/zinc/71/37/90/362713790.db2.gz XIZKGWBLLFYQLG-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598680429 346399539 /nfs/dbraw/zinc/39/95/39/346399539.db2.gz BQLZEUPGIVIGGS-OSAQELSMSA-N 1 0 275.352 2.469 20 5 CEBDRO [NH3+][C@]12CCC[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717682 346407144 /nfs/dbraw/zinc/40/71/44/346407144.db2.gz HOIRUVIWAIUHEM-CXFYGJIZSA-N 1 0 287.363 2.421 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598646605 346392070 /nfs/dbraw/zinc/39/20/70/346392070.db2.gz URLPRJJDTFIPHW-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599008617 346445392 /nfs/dbraw/zinc/44/53/92/346445392.db2.gz ZRADUAIERSVFRU-HZTSWTFBSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913232 346433487 /nfs/dbraw/zinc/43/34/87/346433487.db2.gz FVIFGALCPPTMBH-BQBZGAKWSA-N 1 0 286.719 2.105 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065493 346454330 /nfs/dbraw/zinc/45/43/30/346454330.db2.gz LULRIDBPZCBDTL-CQDKDKBSSA-N 1 0 294.351 2.094 20 5 CEBDRO C[NH+](C)CC1CN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599085826 346457882 /nfs/dbraw/zinc/45/78/82/346457882.db2.gz FYYVYVWGTXCREN-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093646 346459244 /nfs/dbraw/zinc/45/92/44/346459244.db2.gz UOLLAGNAIJAQIJ-GIPNMCIBSA-N 1 0 262.309 2.349 20 5 CEBDRO CC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179506 346474409 /nfs/dbraw/zinc/47/44/09/346474409.db2.gz HZWSEEAQABGHJG-NWDGAFQWSA-N 1 0 263.341 2.480 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CCOC3)nc2c1 ZINC000602606494 347098210 /nfs/dbraw/zinc/09/82/10/347098210.db2.gz FRGIROZWEJGMOR-SNVBAGLBSA-N 1 0 291.307 2.252 20 5 CEBDRO Cc1nc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000600160907 346609903 /nfs/dbraw/zinc/60/99/03/346609903.db2.gz JSJXRUXMUYZUDQ-UHFFFAOYSA-N 1 0 290.323 2.165 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712227 346675887 /nfs/dbraw/zinc/67/58/87/346675887.db2.gz UZUSYJKSYFQIAL-HIFRSBDPSA-N 1 0 293.367 2.014 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600715702 346676640 /nfs/dbraw/zinc/67/66/40/346676640.db2.gz VDUSGINXWIOFTL-AWEZNQCLSA-N 1 0 281.331 2.164 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000600715678 346676653 /nfs/dbraw/zinc/67/66/53/346676653.db2.gz UUIRDXRVKXQRDM-OAHLLOKOSA-N 1 0 277.368 2.067 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000600745213 346683547 /nfs/dbraw/zinc/68/35/47/346683547.db2.gz DPCJNSLYNZQKBP-GASCZTMLSA-N 1 0 293.342 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3C[NH2+]CCO3)c2)cn1 ZINC000600787977 346690643 /nfs/dbraw/zinc/69/06/43/346690643.db2.gz BHKVHAWCWOKCLR-CQSZACIVSA-N 1 0 285.303 2.318 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129331672 365847624 /nfs/dbraw/zinc/84/76/24/365847624.db2.gz WONIJSKHFRHKHI-XDTLVQLUSA-N 1 0 264.325 2.405 20 5 CEBDRO CO[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601126451 346761461 /nfs/dbraw/zinc/76/14/61/346761461.db2.gz ZMMHMKQVVUTPLF-NSHDSACASA-N 1 0 273.292 2.368 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601140496 346766743 /nfs/dbraw/zinc/76/67/43/346766743.db2.gz VXEIHDQYXHPSFD-PPDKRDKTSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000601153464 346771253 /nfs/dbraw/zinc/77/12/53/346771253.db2.gz OIVLIIFWXIYLFW-KWQFWETISA-N 1 0 292.257 2.305 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602622299 347107798 /nfs/dbraw/zinc/10/77/98/347107798.db2.gz LBLUFZIEBNPEJZ-VIFPVBQESA-N 1 0 279.296 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000602639618 347117842 /nfs/dbraw/zinc/11/78/42/347117842.db2.gz XCAYXJIBBRJJQV-AWEZNQCLSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000602677590 347139502 /nfs/dbraw/zinc/13/95/02/347139502.db2.gz JBKZWMXBJMPLAI-NWDGAFQWSA-N 1 0 288.294 2.132 20 5 CEBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602719259 347169107 /nfs/dbraw/zinc/16/91/07/347169107.db2.gz AFYWPTJDENUJAO-DOMZBBRYSA-N 1 0 276.336 2.294 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000602770080 347191239 /nfs/dbraw/zinc/19/12/39/347191239.db2.gz VCZCUPOLDNLLRW-SNVBAGLBSA-N 1 0 254.334 2.195 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000602787600 347198316 /nfs/dbraw/zinc/19/83/16/347198316.db2.gz ZOUXSJVIQGRVGQ-STQMWFEESA-N 1 0 278.356 2.364 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801123 347205185 /nfs/dbraw/zinc/20/51/85/347205185.db2.gz ZZVMGRRNCHCMGV-MWLCHTKSSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000602809230 347208219 /nfs/dbraw/zinc/20/82/19/347208219.db2.gz OWZHGCIWWUEMFV-NSHDSACASA-N 1 0 280.372 2.468 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350041 362785348 /nfs/dbraw/zinc/78/53/48/362785348.db2.gz YFIIWSKHXCLMBH-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602982384 347265979 /nfs/dbraw/zinc/26/59/79/347265979.db2.gz RUZHSCRFVQREMW-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249319 347321485 /nfs/dbraw/zinc/32/14/85/347321485.db2.gz GQOAILACKKIEDE-WDEREUQCSA-N 1 0 289.339 2.384 20 5 CEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604552819 347422354 /nfs/dbraw/zinc/42/23/54/347422354.db2.gz YQSGJCWARJOHSV-LLVKDONJSA-N 1 0 291.351 2.055 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609595651 347645816 /nfs/dbraw/zinc/64/58/16/347645816.db2.gz XBEIPXVQOHTFHX-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000609708001 347649712 /nfs/dbraw/zinc/64/97/12/347649712.db2.gz VFBGDHJETPLEJR-LXSSAFMLSA-N 1 0 264.325 2.357 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420507 347679889 /nfs/dbraw/zinc/67/98/89/347679889.db2.gz CWRXTCOJSQNTEL-OLZOCXBDSA-N 1 0 294.351 2.299 20 5 CEBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838594 365910831 /nfs/dbraw/zinc/91/08/31/365910831.db2.gz NHKSQBKNVQHLIE-CMPLNLGQSA-N 1 0 281.331 2.306 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2C3CCCC2CCC3)n1 ZINC000610486573 347684523 /nfs/dbraw/zinc/68/45/23/347684523.db2.gz RWTOPODCPVZYBL-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514944 347688000 /nfs/dbraw/zinc/68/80/00/347688000.db2.gz OAOXDSKNDBVWBE-NSHDSACASA-N 1 0 298.412 2.094 20 5 CEBDRO CC[NH+](CC)CCSc1cccnc1[N+](=O)[O-] ZINC000610575856 347692635 /nfs/dbraw/zinc/69/26/35/347692635.db2.gz DAYCIGCFTZMLNO-UHFFFAOYSA-N 1 0 255.343 2.424 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000610754966 347711609 /nfs/dbraw/zinc/71/16/09/347711609.db2.gz SYAMOJMKFDIDCY-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000610806934 347715969 /nfs/dbraw/zinc/71/59/69/347715969.db2.gz WKOVVYDBWUUKLO-LBPRGKRZSA-N 1 0 264.329 2.050 20 5 CEBDRO C[C@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611272303 347762056 /nfs/dbraw/zinc/76/20/56/347762056.db2.gz ZYPSVSCAECOPBI-QWRGUYRKSA-N 1 0 292.335 2.454 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000611337216 347767526 /nfs/dbraw/zinc/76/75/26/347767526.db2.gz IUGTYAASWXDPCR-MNOVXSKESA-N 1 0 250.298 2.343 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)c1 ZINC000611370090 347770622 /nfs/dbraw/zinc/77/06/22/347770622.db2.gz GSUJJCJAZWGXKK-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH+]1C ZINC000336893483 365937717 /nfs/dbraw/zinc/93/77/17/365937717.db2.gz UQNOBVADRPXSGP-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO CCCNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130328595 365946281 /nfs/dbraw/zinc/94/62/81/365946281.db2.gz QZGAPSJTQPMKSY-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000128793723 187390536 /nfs/dbraw/zinc/39/05/36/187390536.db2.gz MHGNERWKFDCPIF-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000614656482 348225648 /nfs/dbraw/zinc/22/56/48/348225648.db2.gz CZGPROTXHPPWFS-MFBWXBCUSA-N 1 0 274.320 2.065 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000295149270 199373682 /nfs/dbraw/zinc/37/36/82/199373682.db2.gz CNWZZNJDYFKFQI-LLVKDONJSA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000339624170 215272291 /nfs/dbraw/zinc/27/22/91/215272291.db2.gz XFFVIRAYEKQQDN-NXEZZACHSA-N 1 0 269.370 2.181 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+](C)C ZINC000271284849 191050273 /nfs/dbraw/zinc/05/02/73/191050273.db2.gz CYRVOVUGOOMFDL-KGLIPLIRSA-N 1 0 295.408 2.385 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+](C)C ZINC000271284851 191050908 /nfs/dbraw/zinc/05/09/08/191050908.db2.gz CYRVOVUGOOMFDL-UONOGXRCSA-N 1 0 295.408 2.385 20 5 CEBDRO CCc1nn(C)c(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000091560447 180191615 /nfs/dbraw/zinc/19/16/15/180191615.db2.gz CQGSGEKSRFLDMY-NSHDSACASA-N 1 0 295.387 2.177 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412095725 233337645 /nfs/dbraw/zinc/33/76/45/233337645.db2.gz TYHRPOSGXRYLRP-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673270 180223932 /nfs/dbraw/zinc/22/39/32/180223932.db2.gz INULGBFYWMMHOB-VXGBXAGGSA-N 1 0 295.314 2.009 20 5 CEBDRO CCC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352183328 219348099 /nfs/dbraw/zinc/34/80/99/219348099.db2.gz CESUDDADYAMSST-GFCCVEGCSA-N 1 0 283.303 2.403 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339751027 215326249 /nfs/dbraw/zinc/32/62/49/215326249.db2.gz DWDKECXVVPOBKN-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129782535 187453411 /nfs/dbraw/zinc/45/34/11/187453411.db2.gz OJYXVWBLHXRKMZ-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000108433498 186216133 /nfs/dbraw/zinc/21/61/33/186216133.db2.gz ILWHOGPYUMIGKA-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1c(C(=O)N[C@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000111828770 186461346 /nfs/dbraw/zinc/46/13/46/186461346.db2.gz JTIRLPDJTWMEQT-NSHDSACASA-N 1 0 279.340 2.006 20 5 CEBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170216 363044113 /nfs/dbraw/zinc/04/41/13/363044113.db2.gz QWOODMOUFZAUEZ-LLVKDONJSA-N 1 0 292.339 2.188 20 5 CEBDRO Cc1ccnc(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000070496306 363091020 /nfs/dbraw/zinc/09/10/20/363091020.db2.gz LVQNVEBKCUQTBP-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291732187 198074089 /nfs/dbraw/zinc/07/40/89/198074089.db2.gz XUHZXRRYXBSSGE-UHFFFAOYSA-N 1 0 289.335 2.252 20 5 CEBDRO CN(CCCn1ccnc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124257408 187128730 /nfs/dbraw/zinc/12/87/30/187128730.db2.gz KCJRHIUFWNKHIG-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243412 187080535 /nfs/dbraw/zinc/08/05/35/187080535.db2.gz PGPHMGWGCAOAMX-TXEJJXNPSA-N 1 0 291.351 2.430 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1 ZINC000271449118 191144663 /nfs/dbraw/zinc/14/46/63/191144663.db2.gz RPIMOYZVHDLCEU-AWEZNQCLSA-N 1 0 292.335 2.370 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000072859369 363172190 /nfs/dbraw/zinc/17/21/90/363172190.db2.gz HJWTZLUMSHUMLT-LLVKDONJSA-N 1 0 283.397 2.430 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000271515176 191186163 /nfs/dbraw/zinc/18/61/63/191186163.db2.gz KNIZZVPTKSRUJC-NEPJUHHUSA-N 1 0 279.340 2.019 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135203589 187806824 /nfs/dbraw/zinc/80/68/24/187806824.db2.gz VVOUUCHZVGRBIL-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253124 187921125 /nfs/dbraw/zinc/92/11/25/187921125.db2.gz JPMIMBIUIKSICX-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886055 188050801 /nfs/dbraw/zinc/05/08/01/188050801.db2.gz NFBJUHWUXVLBRO-TXEJJXNPSA-N 1 0 289.335 2.265 20 5 CEBDRO Cc1sc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153649927 188095322 /nfs/dbraw/zinc/09/53/22/188095322.db2.gz BAQOWDYZMRUVNH-JTQLQIEISA-N 1 0 297.380 2.131 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000154466210 188143795 /nfs/dbraw/zinc/14/37/95/188143795.db2.gz SFWDWVSBTFOKDI-UHFFFAOYSA-N 1 0 285.369 2.212 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000295175135 199387592 /nfs/dbraw/zinc/38/75/92/199387592.db2.gz GQXLIRXRRGQZDM-VIFPVBQESA-N 1 0 297.380 2.174 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713355 191287277 /nfs/dbraw/zinc/28/72/77/191287277.db2.gz JMUNHFDEPNHMGN-NWDGAFQWSA-N 1 0 282.340 2.031 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713358 191286597 /nfs/dbraw/zinc/28/65/97/191286597.db2.gz JMUNHFDEPNHMGN-RYUDHWBXSA-N 1 0 282.340 2.031 20 5 CEBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743055 299216776 /nfs/dbraw/zinc/21/67/76/299216776.db2.gz FNJKJTHCRVLLFE-SMDDNHRTSA-N 1 0 286.335 2.457 20 5 CEBDRO CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451537009 283025045 /nfs/dbraw/zinc/02/50/45/283025045.db2.gz CAJPSGXOBJGHII-WFASDCNBSA-N 1 0 278.352 2.494 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451553429 283032676 /nfs/dbraw/zinc/03/26/76/283032676.db2.gz YQSSFYCTWUQNJI-DOMZBBRYSA-N 1 0 294.351 2.330 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000133539359 366234327 /nfs/dbraw/zinc/23/43/27/366234327.db2.gz IZWWGEBWNIBCSO-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452001066 283158946 /nfs/dbraw/zinc/15/89/46/283158946.db2.gz CJKGGMBJRYWZKB-JTQLQIEISA-N 1 0 291.351 2.457 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000133869406 366262395 /nfs/dbraw/zinc/26/23/95/366262395.db2.gz URIZGLFFCCTYBX-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452069667 283176655 /nfs/dbraw/zinc/17/66/55/283176655.db2.gz QJJVSPVYBMPBLT-UTUOFQBUSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000338343970 366306607 /nfs/dbraw/zinc/30/66/07/366306607.db2.gz CUHXLVDODNUWRI-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491885289 290543713 /nfs/dbraw/zinc/54/37/13/290543713.db2.gz LHOYJETUAROKGR-HJWRWDBZSA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCCO1 ZINC000176235757 283269165 /nfs/dbraw/zinc/26/91/65/283269165.db2.gz JSBUSZXIJWBRPX-CYBMUJFWSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294772474 199175321 /nfs/dbraw/zinc/17/53/21/199175321.db2.gz NGMIBBINBCHKFJ-JTQLQIEISA-N 1 0 274.324 2.366 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000294905778 199241556 /nfs/dbraw/zinc/24/15/56/199241556.db2.gz XPFDIGPFERGYHZ-UHFFFAOYSA-N 1 0 252.314 2.045 20 5 CEBDRO Cc1ccc(NCCC[NH2+][C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000578232244 366465014 /nfs/dbraw/zinc/46/50/14/366465014.db2.gz MUOILUNNNQAGRR-RYUDHWBXSA-N 1 0 281.356 2.064 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]3)CC2)c2ncccc12 ZINC000578347392 366482011 /nfs/dbraw/zinc/48/20/11/366482011.db2.gz JGALMQPKHFIWRM-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136166288 366500560 /nfs/dbraw/zinc/50/05/60/366500560.db2.gz GMMTWNLWFKGLKV-FZMZJTMJSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000296818930 200006843 /nfs/dbraw/zinc/00/68/43/200006843.db2.gz QRLNBODFICFEDE-LBPRGKRZSA-N 1 0 291.355 2.122 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418133787 237314910 /nfs/dbraw/zinc/31/49/10/237314910.db2.gz LHRIJCNLWPVYRL-GFCCVEGCSA-N 1 0 299.321 2.332 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578731601 366540455 /nfs/dbraw/zinc/54/04/55/366540455.db2.gz KESDEMBALZSLJZ-CHWSQXEVSA-N 1 0 298.346 2.189 20 5 CEBDRO CC(C)[C@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000297637037 200248807 /nfs/dbraw/zinc/24/88/07/200248807.db2.gz MLAAOKQLDDTISL-ZDUSSCGKSA-N 1 0 299.758 2.238 20 5 CEBDRO [NH3+]CCCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150844977 366600607 /nfs/dbraw/zinc/60/06/07/366600607.db2.gz DXMKTIWJKPHRLF-UHFFFAOYSA-N 1 0 291.351 2.393 20 5 CEBDRO CC[C@H]([NH2+]CC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243707 283507906 /nfs/dbraw/zinc/50/79/06/283507906.db2.gz AEECNTVTLNUWAF-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000579555059 366662101 /nfs/dbraw/zinc/66/21/01/366662101.db2.gz OHYABGFASRNHAH-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177056882 189024636 /nfs/dbraw/zinc/02/46/36/189024636.db2.gz ZYDCZLCXFSVWRV-PSASIEDQSA-N 1 0 295.364 2.011 20 5 CEBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCOC1 ZINC000177211048 189036783 /nfs/dbraw/zinc/03/67/83/189036783.db2.gz ZEHJYBVGRDNFMW-JTQLQIEISA-N 1 0 291.307 2.204 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000177445011 189051789 /nfs/dbraw/zinc/05/17/89/189051789.db2.gz HYULXGKOXHSZDS-ZJUUUORDSA-N 1 0 297.380 2.259 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000352998372 219784534 /nfs/dbraw/zinc/78/45/34/219784534.db2.gz RCYKHIDWMWGSQD-UHFFFAOYSA-N 1 0 292.335 2.479 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178170653 189095176 /nfs/dbraw/zinc/09/51/76/189095176.db2.gz GORFOVZYSNRPIN-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000178358549 189109816 /nfs/dbraw/zinc/10/98/16/189109816.db2.gz YAHXMCDMLXWRSD-NSHDSACASA-N 1 0 280.324 2.072 20 5 CEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[NH2+]C1 ZINC000178912142 189153898 /nfs/dbraw/zinc/15/38/98/189153898.db2.gz ICDJPQQWUUHDFE-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000179143679 189172772 /nfs/dbraw/zinc/17/27/72/189172772.db2.gz OZFZYZLEFGPRJX-GFCCVEGCSA-N 1 0 278.308 2.122 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446544 189256137 /nfs/dbraw/zinc/25/61/37/189256137.db2.gz OBICHUPJTQZZFM-GHMZBOCLSA-N 1 0 278.308 2.199 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000180620008 189265839 /nfs/dbraw/zinc/26/58/39/189265839.db2.gz ULOVGQPOZCRRFA-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCCCO)C1CC1 ZINC000152527617 366701138 /nfs/dbraw/zinc/70/11/38/366701138.db2.gz RSPXKYJUTQMICA-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000153842395 366739429 /nfs/dbraw/zinc/73/94/29/366739429.db2.gz JRZVRZIYKRPTMY-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181986348 189311335 /nfs/dbraw/zinc/31/13/35/189311335.db2.gz DWPQFSQIASFGLC-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[NH+](C)CCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153935011 366747195 /nfs/dbraw/zinc/74/71/95/366747195.db2.gz ZNRBKOVZUSCWPT-UHFFFAOYSA-N 1 0 261.734 2.297 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182929333 189340208 /nfs/dbraw/zinc/34/02/08/189340208.db2.gz FWEYGLHWFGWBPL-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000154360754 366768578 /nfs/dbraw/zinc/76/85/78/366768578.db2.gz HMLDGUXYYDBEBU-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO Cc1c(NC(=O)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000026157725 361636229 /nfs/dbraw/zinc/63/62/29/361636229.db2.gz UXBHGIRMTJEUCQ-UHFFFAOYSA-N 1 0 277.324 2.328 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000302006756 201295041 /nfs/dbraw/zinc/29/50/41/201295041.db2.gz VXECJKRBRDCDSP-UHFFFAOYSA-N 1 0 281.341 2.158 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000086699646 363837236 /nfs/dbraw/zinc/83/72/36/363837236.db2.gz QNMPSBNWDKAXRV-LBPRGKRZSA-N 1 0 282.340 2.364 20 5 CEBDRO C[N@H+](CCOCC1CC1)CCOc1ccccc1[N+](=O)[O-] ZINC000088599029 363911102 /nfs/dbraw/zinc/91/11/02/363911102.db2.gz LRDINZSXLBOJPS-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000088276904 363887063 /nfs/dbraw/zinc/88/70/63/363887063.db2.gz SEBQTHCDQDADIC-ZDUSSCGKSA-N 1 0 293.367 2.222 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000092966320 364126005 /nfs/dbraw/zinc/12/60/05/364126005.db2.gz BSROEGCFJJKIJR-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237549997 370732316 /nfs/dbraw/zinc/73/23/16/370732316.db2.gz KJHSJJBAWDILGL-NSHDSACASA-N 1 0 291.351 2.352 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093983201 364245191 /nfs/dbraw/zinc/24/51/91/364245191.db2.gz RBRKXIOHSOEUJJ-OLZOCXBDSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339783 364265810 /nfs/dbraw/zinc/26/58/10/364265810.db2.gz HBAYCOJXXQCQEZ-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094949740 364315027 /nfs/dbraw/zinc/31/50/27/364315027.db2.gz PXUOLZOQPVCQMI-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157759032 366849541 /nfs/dbraw/zinc/84/95/41/366849541.db2.gz GYQPMUUPNCQIBM-KCJUWKMLSA-N 1 0 297.742 2.105 20 5 CEBDRO COC(=O)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464883 364655958 /nfs/dbraw/zinc/65/59/58/364655958.db2.gz BYHNRMGSOIVNBK-UHFFFAOYSA-N 1 0 296.298 2.119 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245411274 370816473 /nfs/dbraw/zinc/81/64/73/370816473.db2.gz WCKOBEMJSZIKSK-RYUDHWBXSA-N 1 0 291.351 2.243 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000159162303 366883394 /nfs/dbraw/zinc/88/33/94/366883394.db2.gz HQTJTRHZFMUHMU-CQSZACIVSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](C1CC1)[NH+](C)C ZINC000582735545 366951549 /nfs/dbraw/zinc/95/15/49/366951549.db2.gz JEDBZZYCIVPJFM-LBPRGKRZSA-N 1 0 279.340 2.356 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072452 367158957 /nfs/dbraw/zinc/15/89/57/367158957.db2.gz SXWLYHJHADQGRU-GHMZBOCLSA-N 1 0 295.339 2.181 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000245600489 370846103 /nfs/dbraw/zinc/84/61/03/370846103.db2.gz VFOYBVPPGQSUES-STQMWFEESA-N 1 0 293.367 2.125 20 5 CEBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000341288199 367269911 /nfs/dbraw/zinc/26/99/11/367269911.db2.gz ZRMSIMZIHPAXKG-OCCSQVGLSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)C1CCC1 ZINC000275912824 193162156 /nfs/dbraw/zinc/16/21/56/193162156.db2.gz FNQDXPNRAUYZQA-GQCTYLIASA-N 1 0 276.336 2.455 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000353283043 220007732 /nfs/dbraw/zinc/00/77/32/220007732.db2.gz OMCUKZGEBAFOSI-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO CCOCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244828 368000833 /nfs/dbraw/zinc/00/08/33/368000833.db2.gz GGIDLJJHIMFADO-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000343904898 368067832 /nfs/dbraw/zinc/06/78/32/368067832.db2.gz AFOKDYOIHHVCKU-LBPRGKRZSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656081 368480303 /nfs/dbraw/zinc/48/03/03/368480303.db2.gz BHIPNJJCCDORSU-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000185810020 368865165 /nfs/dbraw/zinc/86/51/65/368865165.db2.gz FCVPMIARAWIOHI-ITDFMYJTSA-N 1 0 264.325 2.320 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000348547310 369083716 /nfs/dbraw/zinc/08/37/16/369083716.db2.gz OLMPFFDIHXPOPE-KBPBESRZSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)OCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883645 369437258 /nfs/dbraw/zinc/43/72/58/369437258.db2.gz OTGQSYCVSLVQOI-OLZOCXBDSA-N 1 0 296.367 2.421 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914998 203385507 /nfs/dbraw/zinc/38/55/07/203385507.db2.gz TYOFYFLDNVQKIX-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000276291355 193273734 /nfs/dbraw/zinc/27/37/34/193273734.db2.gz WUPAOSLQBWZRCH-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350860 369684413 /nfs/dbraw/zinc/68/44/13/369684413.db2.gz QODBNHLTYBAKQM-LBPRGKRZSA-N 1 0 286.335 2.071 20 5 CEBDRO CC[NH+](CC)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350737 369685333 /nfs/dbraw/zinc/68/53/33/369685333.db2.gz PYGJZLXOMWJJLJ-UHFFFAOYSA-N 1 0 288.351 2.319 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)c(Cl)c1 ZINC000352466400 369744129 /nfs/dbraw/zinc/74/41/29/369744129.db2.gz COGPUDHPJLMFHM-UHFFFAOYSA-N 1 0 284.743 2.453 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000192482752 369819450 /nfs/dbraw/zinc/81/94/50/369819450.db2.gz MWLIIMDQDFEZKQ-SFYZADRCSA-N 1 0 268.342 2.088 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000352534485 369776424 /nfs/dbraw/zinc/77/64/24/369776424.db2.gz HCCQNSAZEDEBHL-CYBMUJFWSA-N 1 0 281.381 2.232 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C)OCCCO1 ZINC000192250966 369787135 /nfs/dbraw/zinc/78/71/35/369787135.db2.gz CEEXPQVDUKJBHE-UHFFFAOYSA-N 1 0 280.324 2.146 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)C(C)C ZINC000352892652 369937571 /nfs/dbraw/zinc/93/75/71/369937571.db2.gz LLOLZOSAFMXVJC-AWEZNQCLSA-N 1 0 282.340 2.100 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)C1CC1 ZINC000353099951 370018901 /nfs/dbraw/zinc/01/89/01/370018901.db2.gz YMAWSQUWOQETOT-ZDUSSCGKSA-N 1 0 294.351 2.102 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000194559241 370051910 /nfs/dbraw/zinc/05/19/10/370051910.db2.gz AKSZNLMVMGGQIG-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000195508940 370135756 /nfs/dbraw/zinc/13/57/56/370135756.db2.gz VXBYWUKAYVNNSN-SECBINFHSA-N 1 0 270.358 2.338 20 5 CEBDRO CC[C@@H](C)N(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720790 370226742 /nfs/dbraw/zinc/22/67/42/370226742.db2.gz FYCLKXCSJMMLLF-CYBMUJFWSA-N 1 0 279.384 2.457 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221151007 370236233 /nfs/dbraw/zinc/23/62/33/370236233.db2.gz TXAKKWWNEATMGG-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1c(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229604358 370428510 /nfs/dbraw/zinc/42/85/10/370428510.db2.gz YYFGERHUHOWCTI-FZMZJTMJSA-N 1 0 277.368 2.333 20 5 CEBDRO CC[C@@H]([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233892969 370526614 /nfs/dbraw/zinc/52/66/14/370526614.db2.gz XETYMBJHDKQEHE-ZCFIWIBFSA-N 1 0 278.234 2.158 20 5 CEBDRO CC[C@H]([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234027744 370527548 /nfs/dbraw/zinc/52/75/48/370527548.db2.gz XETYMBJHDKQEHE-LURJTMIESA-N 1 0 278.234 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235702109 370574595 /nfs/dbraw/zinc/57/45/95/370574595.db2.gz ZYHCWLQMHAZAGQ-QWRGUYRKSA-N 1 0 277.324 2.230 20 5 CEBDRO Cc1c(C[NH2+]C2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000235813488 370578142 /nfs/dbraw/zinc/57/81/42/370578142.db2.gz YVIKGDJEVCXYTQ-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000236155700 370584141 /nfs/dbraw/zinc/58/41/41/370584141.db2.gz GIWOZPWGYBOKII-TZMCWYRMSA-N 1 0 280.299 2.391 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303220 371003158 /nfs/dbraw/zinc/00/31/58/371003158.db2.gz AVDANHJGBWNWBP-XHDPSFHLSA-N 1 0 289.379 2.476 20 5 CEBDRO C[C@H](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[NH+](C)C ZINC000358765248 371210924 /nfs/dbraw/zinc/21/09/24/371210924.db2.gz FBJKODDAIJOYTP-LLVKDONJSA-N 1 0 274.324 2.408 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358836715 371241933 /nfs/dbraw/zinc/24/19/33/371241933.db2.gz ZGMNSQCXAMHMPS-VHSXEESVSA-N 1 0 298.314 2.411 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248885892 371263757 /nfs/dbraw/zinc/26/37/57/371263757.db2.gz SCYJORMLNFLHEV-WDEREUQCSA-N 1 0 280.324 2.397 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252884449 371486727 /nfs/dbraw/zinc/48/67/27/371486727.db2.gz WNGPWWGDDZTOTD-WFBYXXMGSA-N 1 0 296.754 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544736 371455454 /nfs/dbraw/zinc/45/54/54/371455454.db2.gz INULGBFYWMMHOB-RYUDHWBXSA-N 1 0 295.314 2.009 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000252673584 371466818 /nfs/dbraw/zinc/46/68/18/371466818.db2.gz KWFUTLCDJABSMU-MNOVXSKESA-N 1 0 262.313 2.029 20 5 CEBDRO CCNC(=O)CN(CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255141794 371561385 /nfs/dbraw/zinc/56/13/85/371561385.db2.gz HBSPYKQLHKGUII-CLFYSBASSA-N 1 0 291.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261859908 371752893 /nfs/dbraw/zinc/75/28/93/371752893.db2.gz XQUYHXSOZBPWAR-ZYHUDNBSSA-N 1 0 295.770 2.290 20 5 CEBDRO Cc1sc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261888101 371762792 /nfs/dbraw/zinc/76/27/92/371762792.db2.gz XDAPBDAEFGVOHJ-UHFFFAOYSA-N 1 0 280.309 2.353 20 5 CEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237372935 189874065 /nfs/dbraw/zinc/87/40/65/189874065.db2.gz WUTZOMRHYJQDRP-JTQLQIEISA-N 1 0 293.367 2.217 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361587219 371953236 /nfs/dbraw/zinc/95/32/36/371953236.db2.gz JIRAMHSVBMCBCF-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000266405827 372046412 /nfs/dbraw/zinc/04/64/12/372046412.db2.gz QBOQGLIOTQLSKP-CYBMUJFWSA-N 1 0 293.367 2.060 20 5 CEBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268936918 372294706 /nfs/dbraw/zinc/29/47/06/372294706.db2.gz RYQOAMYYKIKWCU-LLVKDONJSA-N 1 0 291.351 2.291 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1nncn1C ZINC000268944643 372297804 /nfs/dbraw/zinc/29/78/04/372297804.db2.gz WEQDQKOAWXQOQE-QWRGUYRKSA-N 1 0 289.339 2.444 20 5 CEBDRO CCC1(CC)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000362245331 372283224 /nfs/dbraw/zinc/28/32/24/372283224.db2.gz JJLMHRHMHCKVGL-UHFFFAOYSA-N 1 0 298.412 2.399 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000269208589 372379301 /nfs/dbraw/zinc/37/93/01/372379301.db2.gz MSHRVAKBURJKOF-UFBFGSQYSA-N 1 0 297.742 2.058 20 5 CEBDRO COc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344386816 217177726 /nfs/dbraw/zinc/17/77/26/217177726.db2.gz SKBLCTOONYMMMU-AWEZNQCLSA-N 1 0 280.324 2.120 20 5 CEBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344415392 217185217 /nfs/dbraw/zinc/18/52/17/217185217.db2.gz HQWYIHPBELDVGP-UHFFFAOYSA-N 1 0 278.356 2.299 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000353419241 220074177 /nfs/dbraw/zinc/07/41/77/220074177.db2.gz BOWIUSPMQLMXOY-AGLBCWCQSA-N 1 0 262.309 2.329 20 5 CEBDRO Cc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000365984361 372974084 /nfs/dbraw/zinc/97/40/84/372974084.db2.gz ADFFEFWFHHIREN-UHFFFAOYSA-N 1 0 289.335 2.470 20 5 CEBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272829795 373672043 /nfs/dbraw/zinc/67/20/43/373672043.db2.gz YGVVLQKJENPXCO-VIFPVBQESA-N 1 0 295.364 2.037 20 5 CEBDRO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371307827 373836171 /nfs/dbraw/zinc/83/61/71/373836171.db2.gz IOPMRTAPOXZFFX-LBPRGKRZSA-N 1 0 289.335 2.265 20 5 CEBDRO C[C@@H]([NH2+]CCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000274425450 373918379 /nfs/dbraw/zinc/91/83/79/373918379.db2.gz FTIGMAQAOOBGQB-SNVBAGLBSA-N 1 0 266.297 2.008 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000373320128 374326470 /nfs/dbraw/zinc/32/64/70/374326470.db2.gz PNMAGJJVJXIEPF-HNNXBMFYSA-N 1 0 276.336 2.250 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251549055 189970316 /nfs/dbraw/zinc/97/03/16/189970316.db2.gz BYPAAYQPHJZATG-IJLUTSLNSA-N 1 0 263.341 2.338 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377719118 374934345 /nfs/dbraw/zinc/93/43/45/374934345.db2.gz GVYXUXOBEJKDDJ-LBPRGKRZSA-N 1 0 286.335 2.273 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000279973310 375050137 /nfs/dbraw/zinc/05/01/37/375050137.db2.gz ZBKQZAGFKXBACC-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280028407 375066942 /nfs/dbraw/zinc/06/69/42/375066942.db2.gz KUVMYRICSKAVTQ-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000385756075 375242058 /nfs/dbraw/zinc/24/20/58/375242058.db2.gz WZMDEJSYNAHOKP-ZIAGYGMSSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238885 375284620 /nfs/dbraw/zinc/28/46/20/375284620.db2.gz DFYNFJXZPLFYLH-MWLCHTKSSA-N 1 0 267.304 2.046 20 5 CEBDRO C[S@@](=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000282287676 375447896 /nfs/dbraw/zinc/44/78/96/375447896.db2.gz IRKGNMPSPXHBRS-PEAOBZDDSA-N 1 0 294.376 2.109 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(O)CCC1 ZINC000283948127 375786248 /nfs/dbraw/zinc/78/62/48/375786248.db2.gz KACFVOXAXPHXGK-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414657514 375904320 /nfs/dbraw/zinc/90/43/20/375904320.db2.gz KELDAAQVEQAAOX-ZYHUDNBSSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414661748 375905873 /nfs/dbraw/zinc/90/58/73/375905873.db2.gz QBQXYJMDRBFTOC-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1=CC[N@H+](C)CC1 ZINC000286446146 375955027 /nfs/dbraw/zinc/95/50/27/375955027.db2.gz JCIYCUIUKHBLAJ-UHFFFAOYSA-N 1 0 289.335 2.471 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000414695615 375924237 /nfs/dbraw/zinc/92/42/37/375924237.db2.gz GTMYEKFQAQTHDL-GFCCVEGCSA-N 1 0 292.339 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1F ZINC000286383037 375934278 /nfs/dbraw/zinc/93/42/78/375934278.db2.gz ZEZMUPFGKRDPDA-DGCLKSJQSA-N 1 0 282.315 2.375 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414804646 375989902 /nfs/dbraw/zinc/98/99/02/375989902.db2.gz OSQKERSTPXLFHC-GFCCVEGCSA-N 1 0 269.732 2.075 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)C)cc1[N+](=O)[O-] ZINC000287156150 376162740 /nfs/dbraw/zinc/16/27/40/376162740.db2.gz SYUSZUBNTPBRJT-LLVKDONJSA-N 1 0 281.356 2.206 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000287649860 376284758 /nfs/dbraw/zinc/28/47/58/376284758.db2.gz CBILRYQMMGODOO-VIFPVBQESA-N 1 0 253.277 2.098 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000289695435 376449994 /nfs/dbraw/zinc/44/99/94/376449994.db2.gz OLMPFFDIHXPOPE-ZIAGYGMSSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000306110206 376538619 /nfs/dbraw/zinc/53/86/19/376538619.db2.gz TWCPPXMNYFWFGH-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO [NH3+][C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420174823 376591226 /nfs/dbraw/zinc/59/12/26/376591226.db2.gz UCSNRWUXSCPXJH-LBPRGKRZSA-N 1 0 284.319 2.194 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[NH2+]1 ZINC000420207628 376614767 /nfs/dbraw/zinc/61/47/67/376614767.db2.gz QKISWRBZVNOJAH-GFCCVEGCSA-N 1 0 298.346 2.455 20 5 CEBDRO [NH3+]CC1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000312248412 376706372 /nfs/dbraw/zinc/70/63/72/376706372.db2.gz URZYQMNRCJVCST-UHFFFAOYSA-N 1 0 297.380 2.151 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000314523047 376776240 /nfs/dbraw/zinc/77/62/40/376776240.db2.gz OLHDQCVJRWFDOJ-BCPZQOPPSA-N 1 0 291.351 2.242 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323436 376797417 /nfs/dbraw/zinc/79/74/17/376797417.db2.gz MHAHCBZYYAPQIY-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422901939 376860034 /nfs/dbraw/zinc/86/00/34/376860034.db2.gz LWODUVKWRUKEFU-GFCCVEGCSA-N 1 0 293.367 2.459 20 5 CEBDRO CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000562340126 376870363 /nfs/dbraw/zinc/87/03/63/376870363.db2.gz BBEJDBYCCMMJEZ-NSHDSACASA-N 1 0 276.340 2.276 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264688530 190129440 /nfs/dbraw/zinc/12/94/40/190129440.db2.gz MBFASDPPHOUKJJ-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000330526461 377170877 /nfs/dbraw/zinc/17/08/77/377170877.db2.gz CWKGOGGLDKRQGC-BXKDBHETSA-N 1 0 263.297 2.198 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000278150380 193844987 /nfs/dbraw/zinc/84/49/87/193844987.db2.gz ACKIYZWQTGLMNM-SNVBAGLBSA-N 1 0 290.323 2.188 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423278651 377206126 /nfs/dbraw/zinc/20/61/26/377206126.db2.gz PZJDPWXVOSHVJG-YGRLFVJLSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292924921 377353687 /nfs/dbraw/zinc/35/36/87/377353687.db2.gz GNKIDEZUMJPVEC-RISCZKNCSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000293044675 377404898 /nfs/dbraw/zinc/40/48/98/377404898.db2.gz KZZYTDNMKGVULQ-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO CN1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000564959251 377514475 /nfs/dbraw/zinc/51/44/75/377514475.db2.gz VQLMAASCBQDKBI-CYBMUJFWSA-N 1 0 282.365 2.159 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH3+])C1 ZINC000430966973 377579449 /nfs/dbraw/zinc/57/94/49/377579449.db2.gz QQBPWQZACKCCEL-GFCCVEGCSA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293490110 377590940 /nfs/dbraw/zinc/59/09/40/377590940.db2.gz SSMAHMFVRQZDRU-GHMZBOCLSA-N 1 0 250.298 2.314 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000265807128 190208884 /nfs/dbraw/zinc/20/88/84/190208884.db2.gz IXNQRQZUQVCNRM-GFCCVEGCSA-N 1 0 294.351 2.196 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000293784945 377756807 /nfs/dbraw/zinc/75/68/07/377756807.db2.gz QGPJEDSARBBLEL-GFCCVEGCSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000439093594 377919118 /nfs/dbraw/zinc/91/91/18/377919118.db2.gz RIWHLQDJNCQPHL-LBPRGKRZSA-N 1 0 295.387 2.251 20 5 CEBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112595 377909428 /nfs/dbraw/zinc/90/94/28/377909428.db2.gz KDDVDQHZQCYFGN-MWLCHTKSSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294684933 378010488 /nfs/dbraw/zinc/01/04/88/378010488.db2.gz IHXYTJHMDDVOJS-GVXVVHGQSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294320019 377979215 /nfs/dbraw/zinc/97/92/15/377979215.db2.gz OHPKBNZXUADGNG-ZWNOBZJWSA-N 1 0 293.367 2.379 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnns1 ZINC000295394608 378137096 /nfs/dbraw/zinc/13/70/96/378137096.db2.gz RHAQNNIGKHYBBY-UHFFFAOYSA-N 1 0 278.337 2.121 20 5 CEBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000447064376 378089369 /nfs/dbraw/zinc/08/93/69/378089369.db2.gz WQPZLKUYKPOBIX-AWEZNQCLSA-N 1 0 298.314 2.019 20 5 CEBDRO CCOCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511335 378111034 /nfs/dbraw/zinc/11/10/34/378111034.db2.gz LMOOSBLWAZILQO-QWHCGFSZSA-N 1 0 296.371 2.291 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000295512169 378191432 /nfs/dbraw/zinc/19/14/32/378191432.db2.gz UZYMBMWVQQIWCI-GWCFXTLKSA-N 1 0 266.366 2.478 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000449321462 378201214 /nfs/dbraw/zinc/20/12/14/378201214.db2.gz SQLTWUHPAUSHGF-RYUDHWBXSA-N 1 0 265.357 2.066 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295618579 378238632 /nfs/dbraw/zinc/23/86/32/378238632.db2.gz GTNYDEQULPTUNZ-SNVBAGLBSA-N 1 0 265.313 2.230 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000266059420 190227186 /nfs/dbraw/zinc/22/71/86/190227186.db2.gz WBHLAMQSAKMPBC-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO C[C@@H](CC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295840752 378326022 /nfs/dbraw/zinc/32/60/22/378326022.db2.gz VWQKKRONNLALNR-JTQLQIEISA-N 1 0 254.334 2.206 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000296311014 378486797 /nfs/dbraw/zinc/48/67/97/378486797.db2.gz GPFQFPGRUMMALS-CKYFFXLPSA-N 1 0 280.324 2.259 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450793117 378583479 /nfs/dbraw/zinc/58/34/79/378583479.db2.gz PJHQXHVSXYEVPY-PHIMTYICSA-N 1 0 295.314 2.009 20 5 CEBDRO Cc1cnc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450953437 378659231 /nfs/dbraw/zinc/65/92/31/378659231.db2.gz KXPQWHCXPGJABS-LBPRGKRZSA-N 1 0 278.356 2.217 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264595 378847896 /nfs/dbraw/zinc/84/78/96/378847896.db2.gz WGUIMMXQPAWDGY-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO CC(C)([NH3+])CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000346967441 218071741 /nfs/dbraw/zinc/07/17/41/218071741.db2.gz CWMAHLJRXJEXNC-UHFFFAOYSA-N 1 0 293.367 2.175 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453365331 378874434 /nfs/dbraw/zinc/87/44/34/378874434.db2.gz RNXXVOMLYSBIBV-NJZAAPMLSA-N 1 0 294.351 2.358 20 5 CEBDRO CCn1cc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000278598072 194061520 /nfs/dbraw/zinc/06/15/20/194061520.db2.gz LPZAZVOYJMBSFY-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278656756 194087066 /nfs/dbraw/zinc/08/70/66/194087066.db2.gz JYIPJOCHQQFMIU-QMMMGPOBSA-N 1 0 260.297 2.359 20 5 CEBDRO Cc1ccnc(NC[C@@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301276687 379241693 /nfs/dbraw/zinc/24/16/93/379241693.db2.gz IZMACBRLDOQUJI-NSHDSACASA-N 1 0 264.329 2.050 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266504237 190261829 /nfs/dbraw/zinc/26/18/29/190261829.db2.gz BJUJMSWNBVHPHQ-NSHDSACASA-N 1 0 280.324 2.324 20 5 CEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266541578 190265639 /nfs/dbraw/zinc/26/56/39/190265639.db2.gz QGTYQJMHSDIPHD-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304040782 379516288 /nfs/dbraw/zinc/51/62/88/379516288.db2.gz IPGIYHLMEZTSCR-BXUZGUMPSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000266923904 190291014 /nfs/dbraw/zinc/29/10/14/190291014.db2.gz QEIGSYRLSZWWIT-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267008234 190296910 /nfs/dbraw/zinc/29/69/10/190296910.db2.gz GOVYCCMBHQFDEN-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457083384 379657379 /nfs/dbraw/zinc/65/73/79/379657379.db2.gz JZVQZQYJOTWMIU-CQSZACIVSA-N 1 0 291.351 2.150 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489393984 380183833 /nfs/dbraw/zinc/18/38/33/380183833.db2.gz CXZYDIDSBYVHRV-DOMZBBRYSA-N 1 0 294.351 2.221 20 5 CEBDRO CCc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540515224 380254171 /nfs/dbraw/zinc/25/41/71/380254171.db2.gz CAUXYZMQHUHLLU-UHFFFAOYSA-N 1 0 293.367 2.181 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000279186893 194323081 /nfs/dbraw/zinc/32/30/81/194323081.db2.gz DLYKCIRNCSCFGP-DOMZBBRYSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@H]1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000279189454 194325476 /nfs/dbraw/zinc/32/54/76/194325476.db2.gz JIVYGFDQRVYESG-QWRGUYRKSA-N 1 0 277.324 2.264 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235347 194345183 /nfs/dbraw/zinc/34/51/83/194345183.db2.gz FFSIAEVOWHYFQR-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(C)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000348833927 218751734 /nfs/dbraw/zinc/75/17/34/218751734.db2.gz NLPHHDAJNFWIOY-UHFFFAOYSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000280841476 194997204 /nfs/dbraw/zinc/99/72/04/194997204.db2.gz KQQLBVRGQRMYHR-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO COCCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192734085 533086560 /nfs/dbraw/zinc/08/65/60/533086560.db2.gz NDHDXJXDYNMYFD-OAHLLOKOSA-N 1 0 294.351 2.225 20 5 CEBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000353861271 220373289 /nfs/dbraw/zinc/37/32/89/220373289.db2.gz ANSWWGOLZWWLCE-DIECRNLCSA-N 1 0 262.309 2.329 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000192538751 285173846 /nfs/dbraw/zinc/17/38/46/285173846.db2.gz HWXURGKXFRVCEO-JTQLQIEISA-N 1 0 282.369 2.116 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382300 285181866 /nfs/dbraw/zinc/18/18/66/285181866.db2.gz JIQYPQQBHXEQIU-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000288503232 197096010 /nfs/dbraw/zinc/09/60/10/197096010.db2.gz SFYLPMUQPVHMOF-LBPRGKRZSA-N 1 0 278.356 2.098 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412089614 533219844 /nfs/dbraw/zinc/21/98/44/533219844.db2.gz TULQPDAVYFMSQK-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189972508 130046618 /nfs/dbraw/zinc/04/66/18/130046618.db2.gz STTZAENGJWMWBF-AAEUAGOBSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194514276 130699883 /nfs/dbraw/zinc/69/98/83/130699883.db2.gz RSEHNNPXUSHXET-GFCCVEGCSA-N 1 0 274.324 2.185 20 5 CEBDRO CCc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237144114 131007419 /nfs/dbraw/zinc/00/74/19/131007419.db2.gz LDVCUOJLKSLHAU-OAHLLOKOSA-N 1 0 291.351 2.014 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000261748620 131166296 /nfs/dbraw/zinc/16/62/96/131166296.db2.gz SUOHYEDIJSASMR-OLUVUFQESA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000263906478 131357940 /nfs/dbraw/zinc/35/79/40/131357940.db2.gz HELCUMSSCQVZHG-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000413231569 394509016 /nfs/dbraw/zinc/50/90/16/394509016.db2.gz BRKVYIMFYGKFON-SECBINFHSA-N 1 0 280.303 2.191 20 5 CEBDRO CC[N@H+](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052560849 394557725 /nfs/dbraw/zinc/55/77/25/394557725.db2.gz XXXCJHTXRVDSSW-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000252513069 394572116 /nfs/dbraw/zinc/57/21/16/394572116.db2.gz JMVYETFGBYIYSY-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000355772030 394526461 /nfs/dbraw/zinc/52/64/61/394526461.db2.gz YJKMHDYJWZGNQZ-DGCLKSJQSA-N 1 0 264.325 2.500 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000308648757 394529824 /nfs/dbraw/zinc/52/98/24/394529824.db2.gz UHZUEGQSVRHWLS-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO CC(C)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048805632 394531600 /nfs/dbraw/zinc/53/16/00/394531600.db2.gz FPKJHEFJGKQZRV-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000049390354 394546077 /nfs/dbraw/zinc/54/60/77/394546077.db2.gz INEZZKRFRIJIBW-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000049558594 394549666 /nfs/dbraw/zinc/54/96/66/394549666.db2.gz KOXUVSAGKHZTDF-MRVPVSSYSA-N 1 0 283.357 2.056 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356739213 394598876 /nfs/dbraw/zinc/59/88/76/394598876.db2.gz JPRYDUXIUFOIAB-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO C[C@H](C[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093465644 394667387 /nfs/dbraw/zinc/66/73/87/394667387.db2.gz CGAVULCQWDLOAL-DGCLKSJQSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791007 394615599 /nfs/dbraw/zinc/61/55/99/394615599.db2.gz IFFOAQGCFBDGJD-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331129393 394627875 /nfs/dbraw/zinc/62/78/75/394627875.db2.gz IVCMFJDNCVODCN-AWEZNQCLSA-N 1 0 291.351 2.007 20 5 CEBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422710279 394733023 /nfs/dbraw/zinc/73/30/23/394733023.db2.gz FOROWZIXHIBUQZ-KBPBESRZSA-N 1 0 293.367 2.224 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000358339019 394718076 /nfs/dbraw/zinc/71/80/76/394718076.db2.gz JFFQIUBYNFZRQI-ZDUSSCGKSA-N 1 0 277.368 2.211 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414830861 394758958 /nfs/dbraw/zinc/75/89/58/394758958.db2.gz BRVWGFXUWKLUHX-JTQLQIEISA-N 1 0 257.359 2.119 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[NH2+]C1 ZINC000414840244 394764439 /nfs/dbraw/zinc/76/44/39/394764439.db2.gz YIJDEPOVIYUFPK-LBPRGKRZSA-N 1 0 293.367 2.083 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000361163639 394819028 /nfs/dbraw/zinc/81/90/28/394819028.db2.gz BMGVPXNSLYUTJE-OLZOCXBDSA-N 1 0 277.368 2.428 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415047191 394862953 /nfs/dbraw/zinc/86/29/53/394862953.db2.gz VPBQOJGATNJCFC-LBPRGKRZSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000415048580 394863925 /nfs/dbraw/zinc/86/39/25/394863925.db2.gz ZOKOHMKVAQHMME-FOLVSLTJSA-N 1 0 299.330 2.162 20 5 CEBDRO CC[C@@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414980109 394835516 /nfs/dbraw/zinc/83/55/16/394835516.db2.gz OZRDPZWMZWMYBT-SECBINFHSA-N 1 0 289.282 2.023 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422875377 394843761 /nfs/dbraw/zinc/84/37/61/394843761.db2.gz FAKKGRKGRPHTQC-GFCCVEGCSA-N 1 0 291.351 2.282 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130197651 394883738 /nfs/dbraw/zinc/88/37/38/394883738.db2.gz FBEJQAQULCGGAJ-NEPJUHHUSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc([C@H](C)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423341913 394892571 /nfs/dbraw/zinc/89/25/71/394892571.db2.gz YEUUQNWPJVQGPI-NSHDSACASA-N 1 0 263.341 2.435 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361769 394901426 /nfs/dbraw/zinc/90/14/26/394901426.db2.gz MOHAEIDKOZVIFR-COPLHBTASA-N 1 0 263.341 2.243 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000338424247 394919529 /nfs/dbraw/zinc/91/95/29/394919529.db2.gz KFQIMXHBLYQPAG-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CC[C@H]([NH3+])CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423458803 394925677 /nfs/dbraw/zinc/92/56/77/394925677.db2.gz HLNLLVGIJMRULD-AAEUAGOBSA-N 1 0 251.330 2.373 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338771385 394928892 /nfs/dbraw/zinc/92/88/92/394928892.db2.gz SNKFDZPTLIAEDP-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415485410 394936763 /nfs/dbraw/zinc/93/67/63/394936763.db2.gz QDQVYLJTDMSOIY-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000159262678 395057687 /nfs/dbraw/zinc/05/76/87/395057687.db2.gz NRTVSRKCMZMMFS-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494238306 395102067 /nfs/dbraw/zinc/10/20/67/395102067.db2.gz PXVZHEGYQGGQCV-ZANVPECISA-N 1 0 268.288 2.391 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000291558083 395137011 /nfs/dbraw/zinc/13/70/11/395137011.db2.gz NPFGHPFFUABNAR-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000430232008 395164071 /nfs/dbraw/zinc/16/40/71/395164071.db2.gz DXHHLOVUANEJOQ-GXFFZTMASA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C)C1 ZINC000183247377 395254117 /nfs/dbraw/zinc/25/41/17/395254117.db2.gz QMBRIDVWZAYFTP-LLVKDONJSA-N 1 0 250.298 2.124 20 5 CEBDRO COc1cc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000419010547 395245967 /nfs/dbraw/zinc/24/59/67/395245967.db2.gz QGQQDHFZIWLDMR-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO COCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000419393125 395270245 /nfs/dbraw/zinc/27/02/45/395270245.db2.gz PKOVHNAZGUBFBD-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184528912 395274079 /nfs/dbraw/zinc/27/40/79/395274079.db2.gz GIHAPWSOXCGVNP-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000441238672 395382031 /nfs/dbraw/zinc/38/20/31/395382031.db2.gz ZGEYEPDNXSECFT-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420328044 395329715 /nfs/dbraw/zinc/32/97/15/395329715.db2.gz HALWOWMPBYTMAJ-FZMZJTMJSA-N 1 0 281.331 2.289 20 5 CEBDRO O=[N+]([O-])c1cn(CCC[NH+]2CCCC2)nc1C1CC1 ZINC000195044760 395457935 /nfs/dbraw/zinc/45/79/35/395457935.db2.gz DXYALTSUGQFSRU-UHFFFAOYSA-N 1 0 264.329 2.155 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446051180 395479357 /nfs/dbraw/zinc/47/93/57/395479357.db2.gz IVZSZZSIYNTEJQ-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051835 292196473 /nfs/dbraw/zinc/19/64/73/292196473.db2.gz VXDQKSZQKKLZRK-NWDGAFQWSA-N 1 0 289.339 2.234 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237646936 297113100 /nfs/dbraw/zinc/11/31/00/297113100.db2.gz SNGMSDVFVZWCPK-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[NH+](CC)CC ZINC000192493049 153208248 /nfs/dbraw/zinc/20/82/48/153208248.db2.gz GNFXQPKSUXNIGW-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO Cc1cccc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000218853708 153303727 /nfs/dbraw/zinc/30/37/27/153303727.db2.gz OWYXTRXEWROASB-UHFFFAOYSA-N 1 0 281.381 2.364 20 5 CEBDRO CCc1nn(C)c(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000226356596 153334892 /nfs/dbraw/zinc/33/48/92/153334892.db2.gz IYAPQZCXFUNJJO-UHFFFAOYSA-N 1 0 295.387 2.035 20 5 CEBDRO Cc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000227537416 153348459 /nfs/dbraw/zinc/34/84/59/153348459.db2.gz OVPUFXASCGFJRI-CHWSQXEVSA-N 1 0 291.351 2.178 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829886 153350207 /nfs/dbraw/zinc/35/02/07/153350207.db2.gz KDOYXAHLIVMFCR-STQMWFEESA-N 1 0 264.325 2.498 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000230315208 153391428 /nfs/dbraw/zinc/39/14/28/153391428.db2.gz DAMMEGNQQKNVSK-PWSUYJOCSA-N 1 0 268.338 2.313 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000378160316 292286500 /nfs/dbraw/zinc/28/65/00/292286500.db2.gz IXGQCEZYBDGSPY-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261859904 153863007 /nfs/dbraw/zinc/86/30/07/153863007.db2.gz XQUYHXSOZBPWAR-JQWIXIFHSA-N 1 0 295.770 2.290 20 5 CEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC1 ZINC000358078333 154458933 /nfs/dbraw/zinc/45/89/33/154458933.db2.gz BXXGFEQAVTYLEW-SNVBAGLBSA-N 1 0 277.324 2.454 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000359098695 154882828 /nfs/dbraw/zinc/88/28/28/154882828.db2.gz AZPGOFAAYSQWHK-JTQLQIEISA-N 1 0 266.345 2.359 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303302 286670283 /nfs/dbraw/zinc/67/02/83/286670283.db2.gz QMCCVIUGKUHZOS-PWSUYJOCSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000226439158 287060726 /nfs/dbraw/zinc/06/07/26/287060726.db2.gz KYRCECLEBXAOLL-CKYFFXLPSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170764818 165040018 /nfs/dbraw/zinc/04/00/18/165040018.db2.gz SJRSHZQMBSDHGM-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173562223 165074364 /nfs/dbraw/zinc/07/43/64/165074364.db2.gz ZCHIFNJARZKJHE-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO COCCOCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177998952 165218190 /nfs/dbraw/zinc/21/81/90/165218190.db2.gz ZZWFMWQFCCHAJY-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368226 172159402 /nfs/dbraw/zinc/15/94/02/172159402.db2.gz KNYORMLVSMVWLK-SECBINFHSA-N 1 0 258.705 2.109 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000285265527 196236711 /nfs/dbraw/zinc/23/67/11/196236711.db2.gz IFQKFQQEVXHBSJ-CYBMUJFWSA-N 1 0 264.325 2.248 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000285498127 196304977 /nfs/dbraw/zinc/30/49/77/196304977.db2.gz XHLMWFSKCITZMG-PHIMTYICSA-N 1 0 268.288 2.343 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@H]1O ZINC000285631379 196350641 /nfs/dbraw/zinc/35/06/41/196350641.db2.gz AFWZWJKPHHVVKI-VXGBXAGGSA-N 1 0 291.307 2.081 20 5 CEBDRO COC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037394486 173174379 /nfs/dbraw/zinc/17/43/79/173174379.db2.gz DLDCPOVPLVWKAL-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000040454768 174267288 /nfs/dbraw/zinc/26/72/88/174267288.db2.gz JDHNVKNWUOTMIE-UHFFFAOYSA-N 1 0 293.371 2.451 20 5 CEBDRO CC(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000044898387 175273900 /nfs/dbraw/zinc/27/39/00/175273900.db2.gz SVJMWZYKDWMJGC-UHFFFAOYSA-N 1 0 291.351 2.314 20 5 CEBDRO CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071315435 176121577 /nfs/dbraw/zinc/12/15/77/176121577.db2.gz OHXYSCNMCROEPZ-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000076989374 177139858 /nfs/dbraw/zinc/13/98/58/177139858.db2.gz XMOLXGCKWDVYPC-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO COCC[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566574682 299005577 /nfs/dbraw/zinc/00/55/77/299005577.db2.gz IIDIMGLKAUVQJA-NSHDSACASA-N 1 0 264.325 2.378 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449140472 260248721 /nfs/dbraw/zinc/24/87/21/260248721.db2.gz CAJONOUSFKEBED-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ncnn1C ZINC000449276835 260344874 /nfs/dbraw/zinc/34/48/74/260344874.db2.gz DBBDOQHFBACCGN-MNOVXSKESA-N 1 0 289.339 2.005 20 5 CEBDRO COc1ccc(C[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000193663368 270287946 /nfs/dbraw/zinc/28/79/46/270287946.db2.gz IPNIEOHYORWZCQ-UHFFFAOYSA-N 1 0 290.266 2.322 20 5 CEBDRO Cc1ccc(CN2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194064204 270292335 /nfs/dbraw/zinc/29/23/35/270292335.db2.gz JVXWXLDWETVWDS-UHFFFAOYSA-N 1 0 289.379 2.431 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000395157351 270345612 /nfs/dbraw/zinc/34/56/12/270345612.db2.gz CJGGVNGGPSVOQJ-OCCSQVGLSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398698606 270361200 /nfs/dbraw/zinc/36/12/00/270361200.db2.gz SCIDZTXFAKEYNW-RYUDHWBXSA-N 1 0 294.351 2.054 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420177821 270476374 /nfs/dbraw/zinc/47/63/74/270476374.db2.gz ZNJOGMOJVUXJSU-QMMMGPOBSA-N 1 0 289.257 2.459 20 5 CEBDRO CC(=O)c1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420261986 270497697 /nfs/dbraw/zinc/49/76/97/270497697.db2.gz QVNOBVVNOIXTAP-MFKMUULPSA-N 1 0 291.351 2.361 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000430211271 271363282 /nfs/dbraw/zinc/36/32/82/271363282.db2.gz XJKOCYHJBWILNH-SNVBAGLBSA-N 1 0 250.298 2.445 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)O)C(C)C ZINC000430215715 271363545 /nfs/dbraw/zinc/36/35/45/271363545.db2.gz CPXRGFOTDBBBNR-NSHDSACASA-N 1 0 282.340 2.195 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000430225558 271364808 /nfs/dbraw/zinc/36/48/08/271364808.db2.gz YJLSMLQFZQWQAY-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000430573396 271391585 /nfs/dbraw/zinc/39/15/85/271391585.db2.gz QUWUFUJLMFFYIU-ZDUSSCGKSA-N 1 0 251.330 2.058 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000296137919 273716379 /nfs/dbraw/zinc/71/63/79/273716379.db2.gz XAFHRHNJBMRELY-LLVKDONJSA-N 1 0 278.356 2.098 20 5 CEBDRO C[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293713729 274265628 /nfs/dbraw/zinc/26/56/28/274265628.db2.gz XXWHPWURHODUEH-MRVPVSSYSA-N 1 0 292.257 2.426 20 5 CEBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339619724 274586752 /nfs/dbraw/zinc/58/67/52/274586752.db2.gz XNPRMPBWXRAPPN-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000339730864 275550064 /nfs/dbraw/zinc/55/00/64/275550064.db2.gz JXFNUNIOADZJCT-AWEZNQCLSA-N 1 0 278.352 2.482 20 5 CEBDRO CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000193065755 275897292 /nfs/dbraw/zinc/89/72/92/275897292.db2.gz UOZBYDLWSSWDEP-AWEZNQCLSA-N 1 0 292.335 2.325 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860499 276072657 /nfs/dbraw/zinc/07/26/57/276072657.db2.gz KDASBAQTFOPJJD-HNNXBMFYSA-N 1 0 291.395 2.411 20 5 CEBDRO CCN(CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000265279347 276123140 /nfs/dbraw/zinc/12/31/40/276123140.db2.gz WWQGSCAAECIJCO-UHFFFAOYSA-N 1 0 265.357 2.368 20 5 CEBDRO CCOCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000357602482 276314917 /nfs/dbraw/zinc/31/49/17/276314917.db2.gz FQRDESPKTYANKO-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO C[NH+](C)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301737372 276773809 /nfs/dbraw/zinc/77/38/09/276773809.db2.gz IITUKZFIMPSKGH-UHFFFAOYSA-N 1 0 284.747 2.174 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000020479122 277049889 /nfs/dbraw/zinc/04/98/89/277049889.db2.gz XAFPNFNBUCTMPB-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245534495 277239780 /nfs/dbraw/zinc/23/97/80/277239780.db2.gz VZEMMVNZFXUZJC-RYUDHWBXSA-N 1 0 293.367 2.278 20 5 CEBDRO COC[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719701 277591254 /nfs/dbraw/zinc/59/12/54/277591254.db2.gz MCIMRLUEBFQNFB-ZFWWWQNUSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000130798959 278340945 /nfs/dbraw/zinc/34/09/45/278340945.db2.gz TVWWCKTWAGKDSX-SNVBAGLBSA-N 1 0 250.298 2.160 20 5 CEBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193142758 279635754 /nfs/dbraw/zinc/63/57/54/279635754.db2.gz NBKIWJVPGMKXNS-CMPLNLGQSA-N 1 0 266.345 2.206 20 5 CEBDRO C[C@H]1C[C@H]1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530777 280019176 /nfs/dbraw/zinc/01/91/76/280019176.db2.gz QTNWNWJJVZPFPY-QWRGUYRKSA-N 1 0 262.309 2.445 20 5 CEBDRO COC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225606 280039846 /nfs/dbraw/zinc/03/98/46/280039846.db2.gz QNSVPPZMJWKMPL-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO Cc1c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000297398351 280210136 /nfs/dbraw/zinc/21/01/36/280210136.db2.gz OZYNWRONIDINGJ-CHIMOYNISA-N 1 0 291.351 2.101 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000408172545 280398803 /nfs/dbraw/zinc/39/88/03/280398803.db2.gz XYSFIJJAQZVLLX-CYBMUJFWSA-N 1 0 290.367 2.281 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000235908247 281008616 /nfs/dbraw/zinc/00/86/16/281008616.db2.gz GICISIPKLSQGQW-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000272285831 281021994 /nfs/dbraw/zinc/02/19/94/281021994.db2.gz GBYIJKSYMFOOKQ-RYUDHWBXSA-N 1 0 264.325 2.278 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466258 281049193 /nfs/dbraw/zinc/04/91/93/281049193.db2.gz NEECBXRMXOKXJY-WDEREUQCSA-N 1 0 251.330 2.291 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717694 281081823 /nfs/dbraw/zinc/08/18/23/281081823.db2.gz AVWQJINMFLYRRU-NSHDSACASA-N 1 0 291.351 2.213 20 5 CEBDRO Cc1cccc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000275459141 281226552 /nfs/dbraw/zinc/22/65/52/281226552.db2.gz MOPDOXLZUXOGJD-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CCC[N@@H+](CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430130969 281264718 /nfs/dbraw/zinc/26/47/18/281264718.db2.gz XCJYWEAIBUSYLM-WQLSENKSSA-N 1 0 291.351 2.195 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447903141 281887916 /nfs/dbraw/zinc/88/79/16/281887916.db2.gz GRWUVMZTXWYNKV-TUKIKUTGSA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)cn1 ZINC000459661652 290206324 /nfs/dbraw/zinc/20/63/24/290206324.db2.gz MVYYCFUMEBXVKS-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000459745105 290224490 /nfs/dbraw/zinc/22/44/90/290224490.db2.gz RYKVFMXYONHFAA-ZJUUUORDSA-N 1 0 256.327 2.313 20 5 CEBDRO Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000471723226 290279643 /nfs/dbraw/zinc/27/96/43/290279643.db2.gz DGRWJYMZHNBYGO-SKDRFNHKSA-N 1 0 276.340 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000487512596 290350472 /nfs/dbraw/zinc/35/04/72/290350472.db2.gz AXXHMTDPOPUDRN-TXEJJXNPSA-N 1 0 263.341 2.085 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000237836966 295208718 /nfs/dbraw/zinc/20/87/18/295208718.db2.gz ZUUWNLCYGIBTGG-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967889 298127234 /nfs/dbraw/zinc/12/72/34/298127234.db2.gz GZHPAYRGTKVRCO-DOMZBBRYSA-N 1 0 294.351 2.441 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000538316488 298226674 /nfs/dbraw/zinc/22/66/74/298226674.db2.gz XXBIDRCNFNSEGZ-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[S@@](C)=O ZINC000543417825 298308105 /nfs/dbraw/zinc/30/81/05/298308105.db2.gz DFKQADIMVDRSEQ-RMDKCXRXSA-N 1 0 284.381 2.321 20 5 CEBDRO CC[NH+](CC)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562385493 298682974 /nfs/dbraw/zinc/68/29/74/298682974.db2.gz HXDBASKHGWWRKJ-LBPRGKRZSA-N 1 0 293.367 2.156 20 5 CEBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000563529342 298782795 /nfs/dbraw/zinc/78/27/95/298782795.db2.gz ZOTKTLXTPDUOMD-LBPRGKRZSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000516173659 313082827 /nfs/dbraw/zinc/08/28/27/313082827.db2.gz VFTHZOXZZRDKNO-GFCCVEGCSA-N 1 0 275.352 2.484 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820705 313752259 /nfs/dbraw/zinc/75/22/59/313752259.db2.gz KTVJFJHLXLJADP-BXUZGUMPSA-N 1 0 294.351 2.223 20 5 CEBDRO CON1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569708179 314011793 /nfs/dbraw/zinc/01/17/93/314011793.db2.gz JHRYRMZODUGSFD-AWEZNQCLSA-N 1 0 291.351 2.198 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571368710 314085680 /nfs/dbraw/zinc/08/56/80/314085680.db2.gz XTUHJKPFQXQZEG-OJWNKBRNSA-N 1 0 262.309 2.375 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000577381856 314370573 /nfs/dbraw/zinc/37/05/73/314370573.db2.gz PMCOFFUGSJYCMW-UHFFFAOYSA-N 1 0 296.758 2.223 20 5 CEBDRO CCC[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000194237868 321807958 /nfs/dbraw/zinc/80/79/58/321807958.db2.gz WCNNVKWMLLKMLQ-UHFFFAOYSA-N 1 0 269.370 2.184 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000389756742 321891923 /nfs/dbraw/zinc/89/19/23/321891923.db2.gz WXZFVZUTDZDELY-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO CN(CCC[NH+](C)C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580307624 322309679 /nfs/dbraw/zinc/30/96/79/322309679.db2.gz YLKLPPJXUBQTAC-UHFFFAOYSA-N 1 0 292.383 2.257 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CCSC1 ZINC000580783375 322344106 /nfs/dbraw/zinc/34/41/06/322344106.db2.gz IIOOGLIHXZOAGA-TZMCWYRMSA-N 1 0 294.376 2.040 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000581260496 322382417 /nfs/dbraw/zinc/38/24/17/322382417.db2.gz IXQZFTFMDRNFTM-ZDUSSCGKSA-N 1 0 293.367 2.380 20 5 CEBDRO C([C@H]1CCC2(CCCCC2)O1)[N+]12CCN(CC1)CC2 ZINC000191697971 329421034 /nfs/dbraw/zinc/42/10/34/329421034.db2.gz RKPMUIFJIBSKKI-OAHLLOKOSA-N 1 0 265.421 2.014 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185827188 518529898 /nfs/dbraw/zinc/52/98/98/518529898.db2.gz OVVNQWWXKIIAGI-PCAWENJQSA-N 1 0 280.324 2.020 20 5 CEBDRO CC(C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452970 519792479 /nfs/dbraw/zinc/79/24/79/519792479.db2.gz OTZGRQZLDATXJE-RISCZKNCSA-N 1 0 291.351 2.334 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CC[NH+](C)C ZINC000052812750 525578341 /nfs/dbraw/zinc/57/83/41/525578341.db2.gz WNSJBRJCSONYMY-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000148506316 527335169 /nfs/dbraw/zinc/33/51/69/527335169.db2.gz KBHHSWZBNHJEDQ-SECBINFHSA-N 1 0 282.731 2.292 20 5 CEBDRO CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000192080273 535843340 /nfs/dbraw/zinc/84/33/40/535843340.db2.gz YHNCTFHNGPZPQK-BREBYQMCSA-N 1 0 279.340 2.145 20 5 CEBDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000237287168 536461288 /nfs/dbraw/zinc/46/12/88/536461288.db2.gz KQWNLBOZFKZQRA-LBPRGKRZSA-N 1 0 293.367 2.187 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082026 574450142 /nfs/dbraw/zinc/45/01/42/574450142.db2.gz QAGAEXBOBDOTSZ-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000754522018 574586272 /nfs/dbraw/zinc/58/62/72/574586272.db2.gz YFJJPGOPOWEZFQ-SNVBAGLBSA-N 1 0 284.337 2.088 20 5 CEBDRO Cc1ncccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731677986 574601405 /nfs/dbraw/zinc/60/14/05/574601405.db2.gz DMQUCQMEIIHEFF-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO COC(=O)/C(C)=C\CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000748816868 575197357 /nfs/dbraw/zinc/19/73/57/575197357.db2.gz VVPBHWDQNXZHRL-FLIBITNWSA-N 1 0 278.308 2.146 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000932368240 622678830 /nfs/dbraw/zinc/67/88/30/622678830.db2.gz FLWOGGSROBTAOD-NSHDSACASA-N 1 0 282.340 2.377 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000050373026 623404035 /nfs/dbraw/zinc/40/40/35/623404035.db2.gz GUCYZXQABSEUED-DGCLKSJQSA-N 1 0 268.288 2.391 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000934112665 624233459 /nfs/dbraw/zinc/23/34/59/624233459.db2.gz VCDKTRVRKCUZCF-QWHCGFSZSA-N 1 0 250.298 2.204 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)CC(C)(C)OC)c1[N+](=O)[O-] ZINC000892224446 624437544 /nfs/dbraw/zinc/43/75/44/624437544.db2.gz DONOYAAMCBCGCF-UHFFFAOYSA-N 1 0 298.339 2.166 20 5 CEBDRO NC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000934821907 624821377 /nfs/dbraw/zinc/82/13/77/624821377.db2.gz DGNNJKPOEKFJTK-UHFFFAOYSA-N 1 0 291.351 2.263 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000219099225 624940098 /nfs/dbraw/zinc/94/00/98/624940098.db2.gz SGDYXSYRWNAFGR-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000820596678 634466831 /nfs/dbraw/zinc/46/68/31/634466831.db2.gz UJIJUEKLAFPGED-QPUJVOFHSA-N 1 0 285.294 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1F ZINC000293216221 627396499 /nfs/dbraw/zinc/39/64/99/627396499.db2.gz RKYWDFDQJOHNBZ-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO [NH3+][C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000311867630 627710929 /nfs/dbraw/zinc/71/09/29/627710929.db2.gz RQWBRTJNRWQVLE-SECBINFHSA-N 1 0 271.267 2.460 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000892875959 627825651 /nfs/dbraw/zinc/82/56/51/627825651.db2.gz LKLUBMCKFZEYPC-ZJUUUORDSA-N 1 0 292.339 2.036 20 5 CEBDRO CCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000892936905 627863078 /nfs/dbraw/zinc/86/30/78/627863078.db2.gz LEODRTUMGOCFQB-UHFFFAOYSA-N 1 0 288.351 2.452 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000893079829 627986543 /nfs/dbraw/zinc/98/65/43/627986543.db2.gz KJOZWEDNGJDSBK-UWVGGRQHSA-N 1 0 294.311 2.032 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280388 628236026 /nfs/dbraw/zinc/23/60/26/628236026.db2.gz WUXRSZRIUHMAEB-QMGNLALYSA-N 1 0 294.351 2.438 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000092630573 628238037 /nfs/dbraw/zinc/23/80/37/628238037.db2.gz NAOVHEVUVIBVQD-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000931046612 628345618 /nfs/dbraw/zinc/34/56/18/628345618.db2.gz JSJYEBYWRHSZKB-ONGXEEELSA-N 1 0 269.370 2.181 20 5 CEBDRO C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430686 634652235 /nfs/dbraw/zinc/65/22/35/634652235.db2.gz QBUPBRDTKZRBHU-BXUZGUMPSA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000103904957 628477843 /nfs/dbraw/zinc/47/78/43/628477843.db2.gz BTEJGNDOKKPZQC-ZDUSSCGKSA-N 1 0 276.292 2.054 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC000902473023 634665731 /nfs/dbraw/zinc/66/57/31/634665731.db2.gz OKXKXIDTWDCCMX-RUZUBIRVSA-N 1 0 275.352 2.447 20 5 CEBDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000228560056 628783021 /nfs/dbraw/zinc/78/30/21/628783021.db2.gz WHDZLPDWUQNVPU-NSHDSACASA-N 1 0 288.307 2.420 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000305967170 628831003 /nfs/dbraw/zinc/83/10/03/628831003.db2.gz JIRVTMIVMNQQBV-JTQLQIEISA-N 1 0 252.314 2.498 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261626786 628951387 /nfs/dbraw/zinc/95/13/87/628951387.db2.gz DXRRFZQESORNLT-GFCCVEGCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940337 629055833 /nfs/dbraw/zinc/05/58/33/629055833.db2.gz MWNJFIXSTWEBOB-HZMBPMFUSA-N 1 0 279.315 2.183 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000151149080 629231573 /nfs/dbraw/zinc/23/15/73/629231573.db2.gz SIKDCRHEXUDZGP-TXEJJXNPSA-N 1 0 264.329 2.098 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564910 629364833 /nfs/dbraw/zinc/36/48/33/629364833.db2.gz BOYWTISUHRMPNS-GIPNMCIBSA-N 1 0 250.298 2.111 20 5 CEBDRO C/C(=C\C(=O)OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000792134632 629561571 /nfs/dbraw/zinc/56/15/71/629561571.db2.gz SBNNKCORUVZMDE-VAWYXSNFSA-N 1 0 292.335 2.493 20 5 CEBDRO Cc1cc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000894797946 629645954 /nfs/dbraw/zinc/64/59/54/629645954.db2.gz QSGFGINEEQSJQT-GJZGRUSLSA-N 1 0 290.367 2.076 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000796500974 629921967 /nfs/dbraw/zinc/92/19/67/629921967.db2.gz LGTVKCVTWGVPJV-UHFFFAOYSA-N 1 0 270.716 2.205 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000895193549 630025058 /nfs/dbraw/zinc/02/50/58/630025058.db2.gz VVFQLYDLQPQTLL-NWDGAFQWSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1nn(CN2CC(C)=C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000797419274 630232092 /nfs/dbraw/zinc/23/20/92/630232092.db2.gz IHHJRLHUEMTWOD-VIFPVBQESA-N 1 0 264.329 2.264 20 5 CEBDRO CC(=O)c1c(N[C@@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895734233 630324779 /nfs/dbraw/zinc/32/47/79/630324779.db2.gz KVRIQBADDMOMDK-MWLCHTKSSA-N 1 0 277.324 2.302 20 5 CEBDRO C[C@H]1[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895736867 630326272 /nfs/dbraw/zinc/32/62/72/630326272.db2.gz LZDXKHSYPDHLSI-GWCFXTLKSA-N 1 0 286.335 2.069 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCC(C)(C)OC)c1[N+](=O)[O-] ZINC000895816809 630360823 /nfs/dbraw/zinc/36/08/23/630360823.db2.gz MAOLCFSJERECJA-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737322 630653539 /nfs/dbraw/zinc/65/35/39/630653539.db2.gz QYGPNAKVWNTXPM-KCJUWKMLSA-N 1 0 270.716 2.373 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000803494191 631574185 /nfs/dbraw/zinc/57/41/85/631574185.db2.gz YHQWHZSONIJENQ-NSHDSACASA-N 1 0 286.353 2.286 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121079 631737568 /nfs/dbraw/zinc/73/75/68/631737568.db2.gz SPVLCDNNSLALMI-UHFFFAOYSA-N 1 0 293.327 2.275 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[NH+](C)C ZINC000808072364 631913874 /nfs/dbraw/zinc/91/38/74/631913874.db2.gz FDSBADQNDJHZHY-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO [NH3+]CCN(Cc1ccc(F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000809736518 632134590 /nfs/dbraw/zinc/13/45/90/632134590.db2.gz YFINMDAPVHOURS-UHFFFAOYSA-N 1 0 290.298 2.094 20 5 CEBDRO Cc1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809735069 632134760 /nfs/dbraw/zinc/13/47/60/632134760.db2.gz RJCJXVOMPRNFLE-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO O=[N+]([O-])CCNCc1ccccc1C[NH+]1CCCCCC1 ZINC000905108119 635819187 /nfs/dbraw/zinc/81/91/87/635819187.db2.gz CTUCBYMVTNUFTM-UHFFFAOYSA-N 1 0 291.395 2.429 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041123356 632383126 /nfs/dbraw/zinc/38/31/26/632383126.db2.gz VWEOHSCLSXALIA-SNVBAGLBSA-N 1 0 262.269 2.301 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041123354 632383536 /nfs/dbraw/zinc/38/35/36/632383536.db2.gz VWEOHSCLSXALIA-JTQLQIEISA-N 1 0 262.269 2.301 20 5 CEBDRO C[C@H](COC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N+](=O)[O-] ZINC000813112729 632628583 /nfs/dbraw/zinc/62/85/83/632628583.db2.gz KCYXDOAAVDFGDK-GFCCVEGCSA-N 1 0 292.335 2.104 20 5 CEBDRO O=[N+]([O-])c1cn(C[C@@H]2CCCC[NH2+]C2)nc1C1CC1 ZINC000899630053 632926523 /nfs/dbraw/zinc/92/65/23/632926523.db2.gz NIVCAKCAQMNOQD-SNVBAGLBSA-N 1 0 264.329 2.058 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1CCSc2c(F)cccc21 ZINC000899864346 633066885 /nfs/dbraw/zinc/06/68/85/633066885.db2.gz HZKZAVPDGSAKDR-SNVBAGLBSA-N 1 0 256.302 2.229 20 5 CEBDRO Cc1ccc(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC000899911984 633099824 /nfs/dbraw/zinc/09/98/24/633099824.db2.gz YAMZKMGLRBUCFX-HNNXBMFYSA-N 1 0 289.335 2.328 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000819066016 634058326 /nfs/dbraw/zinc/05/83/26/634058326.db2.gz QYZZTRVLXZZUPT-CQSZACIVSA-N 1 0 296.392 2.361 20 5 CEBDRO CCOCC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819316401 634136779 /nfs/dbraw/zinc/13/67/79/634136779.db2.gz QJAYUXHIPKBOEA-AWEZNQCLSA-N 1 0 296.367 2.281 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000819370467 634159843 /nfs/dbraw/zinc/15/98/43/634159843.db2.gz SKMSSAXCRKROBQ-MGPQQGTHSA-N 1 0 282.315 2.499 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000228559572 634193298 /nfs/dbraw/zinc/19/32/98/634193298.db2.gz RCPMBUAMKUEMPH-UHFFFAOYSA-N 1 0 274.280 2.112 20 5 CEBDRO COCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056438 634948528 /nfs/dbraw/zinc/94/85/28/634948528.db2.gz UWPURTJDHKDBAV-JTQLQIEISA-N 1 0 268.313 2.291 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056005 634948599 /nfs/dbraw/zinc/94/85/99/634948599.db2.gz OVRHCDWHENMROL-VHSXEESVSA-N 1 0 268.313 2.289 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)c1 ZINC000822654226 634964113 /nfs/dbraw/zinc/96/41/13/634964113.db2.gz JLWNBNIOOOKBKA-IEBDPFPHSA-N 1 0 272.264 2.068 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000903179439 635000649 /nfs/dbraw/zinc/00/06/49/635000649.db2.gz QDGFLACKXPMHOI-RBZYPMLTSA-N 1 0 282.340 2.413 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903218932 635020294 /nfs/dbraw/zinc/02/02/94/635020294.db2.gz FZJUXALBDQRMPD-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000823095019 635066535 /nfs/dbraw/zinc/06/65/35/635066535.db2.gz HHVYFULZKFLTPH-SNVBAGLBSA-N 1 0 293.367 2.139 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000903330840 635077934 /nfs/dbraw/zinc/07/79/34/635077934.db2.gz BUCWMSJSPFAARU-CDWSIMAYSA-N 1 0 296.342 2.416 20 5 CEBDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392989 635089494 /nfs/dbraw/zinc/08/94/94/635089494.db2.gz CTARULKNYNJROR-SMDDNHRTSA-N 1 0 291.351 2.256 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903410765 635105462 /nfs/dbraw/zinc/10/54/62/635105462.db2.gz JEUFICAEKUCBKD-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903403786 635111705 /nfs/dbraw/zinc/11/17/05/635111705.db2.gz GOVLKVIRZQPUPM-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(-c2noc([C@H]3CC[NH2+][C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000823269488 635119101 /nfs/dbraw/zinc/11/91/01/635119101.db2.gz HLGWVQIBNUUYHQ-KOLCDFICSA-N 1 0 288.307 2.419 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903469612 635141512 /nfs/dbraw/zinc/14/15/12/635141512.db2.gz VXKHXIONCKHZTM-CYBMUJFWSA-N 1 0 279.315 2.108 20 5 CEBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845550 635302322 /nfs/dbraw/zinc/30/23/22/635302322.db2.gz IPCMRWMWVATJCE-BIMULSAOSA-N 1 0 279.315 2.046 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903854119 635305188 /nfs/dbraw/zinc/30/51/88/635305188.db2.gz IBRMAFGNAIYGMT-FZMZJTMJSA-N 1 0 279.315 2.047 20 5 CEBDRO Nc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000904307794 635558527 /nfs/dbraw/zinc/55/85/27/635558527.db2.gz FUXBSCUFUYCNKU-UHFFFAOYSA-N 1 0 299.334 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)s1 ZINC000904688535 635699415 /nfs/dbraw/zinc/69/94/15/635699415.db2.gz CJDJYRSFDQCPKJ-XLPZGREQSA-N 1 0 292.320 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)cn1 ZINC000904798634 635738844 /nfs/dbraw/zinc/73/88/44/635738844.db2.gz IKTYDMQCLCDSSU-MRXNPFEDSA-N 1 0 299.330 2.228 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000905035101 635781884 /nfs/dbraw/zinc/78/18/84/635781884.db2.gz MESDWXTZRJTJTN-UHFFFAOYSA-N 1 0 290.319 2.363 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000905064193 635809257 /nfs/dbraw/zinc/80/92/57/635809257.db2.gz HCMJBOKUWNWVIM-NSHDSACASA-N 1 0 283.759 2.033 20 5 CEBDRO CC1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905101265 635815700 /nfs/dbraw/zinc/81/57/00/635815700.db2.gz ILGFRDIVXWSQEX-UHFFFAOYSA-N 1 0 277.368 2.289 20 5 CEBDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1OC1CCCC1 ZINC000905098188 635831550 /nfs/dbraw/zinc/83/15/50/635831550.db2.gz QMQSBQDTJSCOPB-UHFFFAOYSA-N 1 0 294.351 2.383 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000905191097 635859700 /nfs/dbraw/zinc/85/97/00/635859700.db2.gz NNUDUTPCAPQSGB-UHFFFAOYSA-N 1 0 254.717 2.238 20 5 CEBDRO CC(C)[N@H+](CC[S@@](C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000827487511 636332278 /nfs/dbraw/zinc/33/22/78/636332278.db2.gz VMVAXMBDWBHLPJ-LJQANCHMSA-N 1 0 284.381 2.184 20 5 CEBDRO COC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905615873 636359088 /nfs/dbraw/zinc/35/90/88/636359088.db2.gz GCGYUXNXBJVJSW-DZGCQCFKSA-N 1 0 296.367 2.136 20 5 CEBDRO CC(=O)c1ccc(OC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000905731465 636420934 /nfs/dbraw/zinc/42/09/34/636420934.db2.gz MFXJQEKDQVTLGX-SKDRFNHKSA-N 1 0 278.308 2.032 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000827812752 636430839 /nfs/dbraw/zinc/43/08/39/636430839.db2.gz WZIUPMCFPVQONM-CZMCAQCFSA-N 1 0 298.726 2.289 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000906094034 636595272 /nfs/dbraw/zinc/59/52/72/636595272.db2.gz LHVADHXMTSGWLJ-NXEZZACHSA-N 1 0 265.313 2.285 20 5 CEBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876515680 650298209 /nfs/dbraw/zinc/29/82/09/650298209.db2.gz VWEUSKKDQSVEIZ-NSHDSACASA-N 1 0 299.330 2.182 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[NH2+]1 ZINC000876530497 650307051 /nfs/dbraw/zinc/30/70/51/650307051.db2.gz SXJDCMUATWJWHM-LLVKDONJSA-N 1 0 299.330 2.182 20 5 CEBDRO O=C(CCC12CC(C1)C[NH2+]2)Nc1cccc([N+](=O)[O-])c1 ZINC000876545081 650316600 /nfs/dbraw/zinc/31/66/00/650316600.db2.gz HQINVQUFTPAMTQ-UHFFFAOYSA-N 1 0 275.308 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C12CC[NH+](CC1)C2 ZINC000908267024 637278341 /nfs/dbraw/zinc/27/83/41/637278341.db2.gz CJMTXNUNXMYXDU-UHFFFAOYSA-N 1 0 289.335 2.246 20 5 CEBDRO COCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876564855 650333422 /nfs/dbraw/zinc/33/34/22/650333422.db2.gz PZLPPWMSBKUZSC-UHFFFAOYSA-N 1 0 252.314 2.290 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910293623 637998165 /nfs/dbraw/zinc/99/81/65/637998165.db2.gz PUVDOTGTHDVTPJ-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182933 638599730 /nfs/dbraw/zinc/59/97/30/638599730.db2.gz LQDXTXMXCPGTGR-ZWNOBZJWSA-N 1 0 291.351 2.247 20 5 CEBDRO CN(CCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841004066 639614726 /nfs/dbraw/zinc/61/47/26/639614726.db2.gz LNDIERZSKGAERA-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109158 639617531 /nfs/dbraw/zinc/61/75/31/639617531.db2.gz FKNBHNRMHLOVCH-BDAKNGLRSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105843 639617671 /nfs/dbraw/zinc/61/76/71/639617671.db2.gz WDPCQEHZVDOJNS-DTWKUNHWSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105852 639617932 /nfs/dbraw/zinc/61/79/32/639617932.db2.gz WDPCQEHZVDOJNS-IUCAKERBSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000841027119 639620296 /nfs/dbraw/zinc/62/02/96/639620296.db2.gz WQYISEXBVOYNEI-SMDDNHRTSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCC[NH2+]CC1 ZINC000841057390 639635436 /nfs/dbraw/zinc/63/54/36/639635436.db2.gz KCULOBMTPOGUGX-LBPRGKRZSA-N 1 0 283.759 2.480 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000228559729 639644094 /nfs/dbraw/zinc/64/40/94/639644094.db2.gz KZSIFUUAFSMRAE-UHFFFAOYSA-N 1 0 292.270 2.251 20 5 CEBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[NH2+]C1 ZINC000876980912 650518098 /nfs/dbraw/zinc/51/80/98/650518098.db2.gz PDUZDZDWSZRLPO-INIZCTEOSA-N 1 0 299.330 2.230 20 5 CEBDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000230680854 639778353 /nfs/dbraw/zinc/77/83/53/639778353.db2.gz IJEPEXWBXOAIEC-JTQLQIEISA-N 1 0 280.324 2.397 20 5 CEBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000172963956 639833393 /nfs/dbraw/zinc/83/33/93/639833393.db2.gz PHUUGPRYIVEKNX-UHFFFAOYSA-N 1 0 260.297 2.386 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063193822 639838076 /nfs/dbraw/zinc/83/80/76/639838076.db2.gz LTUVVCPLEUBFJW-GXFFZTMASA-N 1 0 292.339 2.328 20 5 CEBDRO COCCCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841689884 639838620 /nfs/dbraw/zinc/83/86/20/639838620.db2.gz HZXZCMDSKZZICP-UHFFFAOYSA-N 1 0 292.339 2.260 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000843357059 640401617 /nfs/dbraw/zinc/40/16/17/640401617.db2.gz APAXBXIKDRENIJ-JTQLQIEISA-N 1 0 283.759 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914435324 640407038 /nfs/dbraw/zinc/40/70/38/640407038.db2.gz BILDKGQHAYXOIG-OCCSQVGLSA-N 1 0 280.299 2.249 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403217 640709574 /nfs/dbraw/zinc/70/95/74/640709574.db2.gz DUJQIRNKVHHNBW-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000917538871 640894462 /nfs/dbraw/zinc/89/44/62/640894462.db2.gz XKPKVWIZXZXCRE-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000105885143 640970962 /nfs/dbraw/zinc/97/09/62/640970962.db2.gz KVSSHVLIARBTMG-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@H]([NH2+]CCC1(CO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846209298 641222813 /nfs/dbraw/zinc/22/28/13/641222813.db2.gz CPEZUDGKDPABSY-NSHDSACASA-N 1 0 293.367 2.380 20 5 CEBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000847829388 641797434 /nfs/dbraw/zinc/79/74/34/641797434.db2.gz YHHAYXUHWORQMU-NSHDSACASA-N 1 0 278.308 2.093 20 5 CEBDRO Cc1c(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847829476 641798348 /nfs/dbraw/zinc/79/83/48/641798348.db2.gz KIDQOOCFJYHQCI-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000877441611 650723663 /nfs/dbraw/zinc/72/36/63/650723663.db2.gz HSRDAMRELZLTGF-UHFFFAOYSA-N 1 0 293.367 2.115 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000848760914 642132925 /nfs/dbraw/zinc/13/29/25/642132925.db2.gz LAQZVCSZHJGRGU-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000849331853 642334051 /nfs/dbraw/zinc/33/40/51/642334051.db2.gz XVRARFJZBLTXBG-NEPJUHHUSA-N 1 0 286.278 2.263 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000877482358 650742620 /nfs/dbraw/zinc/74/26/20/650742620.db2.gz FFFCMERCTOJYME-OKILXGFUSA-N 1 0 289.379 2.205 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877550363 650782147 /nfs/dbraw/zinc/78/21/47/650782147.db2.gz OMMPMYUBPWNKOM-LBPRGKRZSA-N 1 0 264.325 2.432 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850572326 642754773 /nfs/dbraw/zinc/75/47/73/642754773.db2.gz ZPZDUKRFKIRHFP-WQHBLYJGSA-N 1 0 265.313 2.005 20 5 CEBDRO C[N@H+](CCOC(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000852038207 643274313 /nfs/dbraw/zinc/27/43/13/643274313.db2.gz KPFCYJQTSPAEGU-UHFFFAOYSA-N 1 0 274.267 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1F ZINC000852501490 643445994 /nfs/dbraw/zinc/44/59/94/643445994.db2.gz NLJYJXNMGXCADK-HNNXBMFYSA-N 1 0 294.326 2.471 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c(Cl)c1 ZINC000923004272 643508455 /nfs/dbraw/zinc/50/84/55/643508455.db2.gz RUDLWJYWGFAUNW-CZMCAQCFSA-N 1 0 270.716 2.109 20 5 CEBDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877707440 650863803 /nfs/dbraw/zinc/86/38/03/650863803.db2.gz SWRNQGZCYNYJNR-OAHLLOKOSA-N 1 0 292.335 2.416 20 5 CEBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000877723312 650871642 /nfs/dbraw/zinc/87/16/42/650871642.db2.gz YNYXASPKYGNVOR-XUJVJEKNSA-N 1 0 290.319 2.026 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(C3CC3)CC2)c1 ZINC000754360227 644361946 /nfs/dbraw/zinc/36/19/46/644361946.db2.gz BLLDWZMAWYNWLD-ZDUSSCGKSA-N 1 0 262.309 2.160 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877834979 650927185 /nfs/dbraw/zinc/92/71/85/650927185.db2.gz CKQDCUPIEAURKN-SNVBAGLBSA-N 1 0 270.354 2.249 20 5 CEBDRO O=[N+]([O-])c1cnn(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000755919863 644581799 /nfs/dbraw/zinc/58/17/99/644581799.db2.gz GJMVEWBIMHQELR-LBPRGKRZSA-N 1 0 290.298 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(CC3CC3)C2)cc1 ZINC000857212861 644849657 /nfs/dbraw/zinc/84/96/57/644849657.db2.gz ZEXORXSPPNVNNP-HNNXBMFYSA-N 1 0 276.336 2.360 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761080663 645233999 /nfs/dbraw/zinc/23/39/99/645233999.db2.gz DYLUJPGGTZGPMJ-RISCZKNCSA-N 1 0 289.335 2.326 20 5 CEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000761081111 645234080 /nfs/dbraw/zinc/23/40/80/645234080.db2.gz FODDEFUKUHRQIL-RISCZKNCSA-N 1 0 289.335 2.326 20 5 CEBDRO CC(C)(CCC(=O)OCC12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000861363277 646151591 /nfs/dbraw/zinc/15/15/91/646151591.db2.gz SKSVIKTVNGZPIN-UHFFFAOYSA-N 1 0 298.383 2.241 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC2(CC2)CC1 ZINC000863331426 646705762 /nfs/dbraw/zinc/70/57/62/646705762.db2.gz LWPKZBYEABOBDV-UHFFFAOYSA-N 1 0 250.302 2.015 20 5 CEBDRO C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000863484826 646740129 /nfs/dbraw/zinc/74/01/29/646740129.db2.gz NLZCYNIUNRNXSC-SKDRFNHKSA-N 1 0 283.759 2.478 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000863565323 646757674 /nfs/dbraw/zinc/75/76/74/646757674.db2.gz GUQIBKAAKGTOLG-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000863569602 646759304 /nfs/dbraw/zinc/75/93/04/646759304.db2.gz XFBJQLAASIJREY-BPGGGUHBSA-N 1 0 276.336 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)s1 ZINC000863669669 646785567 /nfs/dbraw/zinc/78/55/67/646785567.db2.gz ATGUSFQMCHULTC-HZGVNTEJSA-N 1 0 298.299 2.326 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccon2)n1 ZINC000774206203 646818631 /nfs/dbraw/zinc/81/86/31/646818631.db2.gz DAVMIKPAGOFSCN-RYUDHWBXSA-N 1 0 291.311 2.053 20 5 CEBDRO CCO[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274342 647044602 /nfs/dbraw/zinc/04/46/02/647044602.db2.gz CGCRAYJDECYVAJ-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275982 647044778 /nfs/dbraw/zinc/04/47/78/647044778.db2.gz JGPQFFVTGQHRGH-HZMBPMFUSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776588172 647075452 /nfs/dbraw/zinc/07/54/52/647075452.db2.gz LVHYTRGNJHCSEO-ZDUSSCGKSA-N 1 0 250.298 2.113 20 5 CEBDRO C[NH+](C)C1(C)CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000866147135 647629051 /nfs/dbraw/zinc/62/90/51/647629051.db2.gz MMWGGQRCAMYOGP-UHFFFAOYSA-N 1 0 293.371 2.247 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866204414 647666853 /nfs/dbraw/zinc/66/68/53/647666853.db2.gz CNXFWTZHAJCDAS-GXSJLCMTSA-N 1 0 296.758 2.174 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866207039 647671198 /nfs/dbraw/zinc/67/11/98/647671198.db2.gz UTBFYHBRPWGDMM-WCQYABFASA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC1 ZINC000866242648 647690269 /nfs/dbraw/zinc/69/02/69/647690269.db2.gz OFSUAFZIMLBKJV-MNOVXSKESA-N 1 0 282.315 2.291 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263124 647702784 /nfs/dbraw/zinc/70/27/84/647702784.db2.gz MYAHUUCLNLNNDM-IINYFYTJSA-N 1 0 284.331 2.416 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265932 647705304 /nfs/dbraw/zinc/70/53/04/647705304.db2.gz VODFKSFZSVXYCK-MFKMUULPSA-N 1 0 284.331 2.416 20 5 CEBDRO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569791 647730983 /nfs/dbraw/zinc/73/09/83/647730983.db2.gz PBBNLZUUJGVPIL-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000784031687 647791154 /nfs/dbraw/zinc/79/11/54/647791154.db2.gz LTOLCSQZBLRLOR-SNVBAGLBSA-N 1 0 252.318 2.117 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612897 647842809 /nfs/dbraw/zinc/84/28/09/647842809.db2.gz DFRUSMOCXOSXBG-NXEZZACHSA-N 1 0 289.339 2.322 20 5 CEBDRO CC[C@@]1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000785493337 647932017 /nfs/dbraw/zinc/93/20/17/647932017.db2.gz RHMCPTGDBYQGNW-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000122508508 648397903 /nfs/dbraw/zinc/39/79/03/648397903.db2.gz TVPSWRQEJJDLLA-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO Cc1ccc(CNC(=O)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000870963310 648963675 /nfs/dbraw/zinc/96/36/75/648963675.db2.gz YTCJFZMFZMJELT-UHFFFAOYSA-N 1 0 293.367 2.429 20 5 CEBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029448 649245848 /nfs/dbraw/zinc/24/58/48/649245848.db2.gz XTFCFNBLBSAHGC-SNVBAGLBSA-N 1 0 297.330 2.253 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077636 649265400 /nfs/dbraw/zinc/26/54/00/649265400.db2.gz KNSJSRJKSKVBLR-OTYXRUKQSA-N 1 0 295.314 2.053 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243245 649326575 /nfs/dbraw/zinc/32/65/75/649326575.db2.gz MHFBCKSFGOXNFO-KGLIPLIRSA-N 1 0 294.351 2.033 20 5 CEBDRO C[NH2+]C1(CNc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000872629618 649445667 /nfs/dbraw/zinc/44/56/67/649445667.db2.gz LGZVHZWFVXLFFT-UHFFFAOYSA-N 1 0 264.329 2.324 20 5 CEBDRO CCc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000873049831 649544443 /nfs/dbraw/zinc/54/44/43/649544443.db2.gz MSSWUOXVENXPNR-UHFFFAOYSA-N 1 0 274.324 2.479 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873178601 649579732 /nfs/dbraw/zinc/57/97/32/649579732.db2.gz ZRADUAIERSVFRU-PMWYZNRSSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000879266770 651273583 /nfs/dbraw/zinc/27/35/83/651273583.db2.gz QYTCKTOZFCTCAD-SUHUHFCYSA-N 1 0 278.356 2.387 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880294640 651417510 /nfs/dbraw/zinc/41/75/10/651417510.db2.gz WRWUCYXOCTWELX-LBPRGKRZSA-N 1 0 252.289 2.429 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](CF)C1 ZINC000880294490 651417542 /nfs/dbraw/zinc/41/75/42/651417542.db2.gz BULSQRZQLRETGO-LLVKDONJSA-N 1 0 268.288 2.265 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NCC[NH+]1CCCCCC1 ZINC000881796840 651886503 /nfs/dbraw/zinc/88/65/03/651886503.db2.gz KEZSRATZKKHNGP-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882057135 651948669 /nfs/dbraw/zinc/94/86/69/651948669.db2.gz OPKIOTCCPUHKJL-ZJUUUORDSA-N 1 0 282.319 2.414 20 5 CEBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000882172078 651988911 /nfs/dbraw/zinc/98/89/11/651988911.db2.gz UHLAINSNPMJVSC-GFCCVEGCSA-N 1 0 291.351 2.185 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882263211 652013871 /nfs/dbraw/zinc/01/38/71/652013871.db2.gz BEBUMTYNZIODFW-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000882820397 652228529 /nfs/dbraw/zinc/22/85/29/652228529.db2.gz NPMGVEVTZVGBAC-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO CC[C@H]([NH2+]CC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130912070 652354726 /nfs/dbraw/zinc/35/47/26/652354726.db2.gz SQLVDEYLOLMIAS-DJJJIMSYSA-N 1 0 284.381 2.404 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000883181893 652392140 /nfs/dbraw/zinc/39/21/40/652392140.db2.gz NGAZQNJHWAVYQA-HIFRSBDPSA-N 1 0 294.351 2.126 20 5 CEBDRO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441357 652471454 /nfs/dbraw/zinc/47/14/54/652471454.db2.gz MFFVGHKPHAYZTL-QWHCGFSZSA-N 1 0 263.341 2.119 20 5 CEBDRO CC[C@@H](CSC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132645765 652543104 /nfs/dbraw/zinc/54/31/04/652543104.db2.gz OBBBORSKDMPFDZ-AAEUAGOBSA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH3+])c1C ZINC000884041414 652650452 /nfs/dbraw/zinc/65/04/52/652650452.db2.gz XLJMVNXXLWPCSL-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO C[NH+](C)CCCCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000133656308 652698595 /nfs/dbraw/zinc/69/85/95/652698595.db2.gz PLQRZESJOSTXSI-UHFFFAOYSA-N 1 0 280.324 2.484 20 5 CEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134178144 652786699 /nfs/dbraw/zinc/78/66/99/652786699.db2.gz KYJNHPJAEYYTOD-HNNXBMFYSA-N 1 0 294.351 2.459 20 5 CEBDRO Cc1nc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268487359 719328707 /nfs/dbraw/zinc/32/87/07/719328707.db2.gz MTOMCTSQTSXEFK-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)nc1Cl ZINC001165035257 721889034 /nfs/dbraw/zinc/88/90/34/721889034.db2.gz LLGJXISKLSEUFO-JTQLQIEISA-N 1 0 298.774 2.482 20 5 CEBDRO Cc1ccc(CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000714071746 806010648 /nfs/dbraw/zinc/01/06/48/806010648.db2.gz YUKLKIUBTLBJRS-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NCCOC(F)(F)F)C[NH2+]C2 ZINC001168173633 806362560 /nfs/dbraw/zinc/36/25/60/806362560.db2.gz BVRYELFLEUMABK-UHFFFAOYSA-N 1 0 291.229 2.146 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000721873802 806411752 /nfs/dbraw/zinc/41/17/52/806411752.db2.gz NINYJLVMQGPHMK-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168228208 806422792 /nfs/dbraw/zinc/42/27/92/806422792.db2.gz PVXFKHRFMGVTEA-NEPJUHHUSA-N 1 0 290.298 2.255 20 5 CEBDRO COC(=O)CCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224501024 806783685 /nfs/dbraw/zinc/78/36/85/806783685.db2.gz ZOJJQXLYLTZCOU-CYBMUJFWSA-N 1 0 260.398 2.221 20 5 CEBDRO CC(C)[C@H](OCC[N+](C)(C)C)C(=O)OC(C)(C)C ZINC001224775953 806951660 /nfs/dbraw/zinc/95/16/60/806951660.db2.gz QEWMFMSVDHFTGK-LBPRGKRZSA-N 1 0 260.398 2.076 20 5 CEBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2c2ccccc21 ZINC001170790009 813361618 /nfs/dbraw/zinc/36/16/18/813361618.db2.gz TWXKNHGKFOTWHU-SJKOYZFVSA-N 1 0 293.370 2.380 20 5 CEBDRO Cc1ccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217979235 803522754 /nfs/dbraw/zinc/52/27/54/803522754.db2.gz GUMQOAHKUKMICH-GWCFXTLKSA-N 1 0 268.288 2.372 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694696177 803580557 /nfs/dbraw/zinc/58/05/57/803580557.db2.gz XVGMNHCFDDSEPM-YGRLFVJLSA-N 1 0 282.315 2.184 20 5 CEBDRO C[NH+](C)C1(C)CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000715542104 814973611 /nfs/dbraw/zinc/97/36/11/814973611.db2.gz YFBSCRALWBLGEM-UHFFFAOYSA-N 1 0 279.344 2.060 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC1CCC(C)([NH+](C)C)CC1 ZINC000715538798 814973914 /nfs/dbraw/zinc/97/39/14/814973914.db2.gz NOFVDANCVZWJPX-UHFFFAOYSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000716023760 815015177 /nfs/dbraw/zinc/01/51/77/815015177.db2.gz ZFZWFGAHZVJGMA-GFCCVEGCSA-N 1 0 294.351 2.474 20 5 CEBDRO Cc1cc(C(F)(F)F)nc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001226173305 805538859 /nfs/dbraw/zinc/53/88/59/805538859.db2.gz FMSHYVUGXVBHPI-VIFPVBQESA-N 1 0 278.298 2.277 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1F ZINC001226269643 805563104 /nfs/dbraw/zinc/56/31/04/805563104.db2.gz IIFBTOSQZBHLER-SECBINFHSA-N 1 0 257.285 2.207 20 5 CEBDRO CC(C)N(CCc1nccs1)Cn1nccc1[N+](=O)[O-] ZINC000151545023 807408424 /nfs/dbraw/zinc/40/84/24/807408424.db2.gz BMKNONFZHBFGHM-UHFFFAOYSA-N 1 0 295.368 2.158 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000699442811 807706203 /nfs/dbraw/zinc/70/62/03/807706203.db2.gz YZOUYARNGWYDFQ-YPMHNXCESA-N 1 0 264.325 2.418 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000716828982 815152086 /nfs/dbraw/zinc/15/20/86/815152086.db2.gz KTQLLGXYKBQOOI-KOLCDFICSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794298 807849469 /nfs/dbraw/zinc/84/94/69/807849469.db2.gz YMPGPCIHVYMPCT-GZMMTYOYSA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000716906990 815159020 /nfs/dbraw/zinc/15/90/20/815159020.db2.gz FMOJVJOGSGAISA-ZYHUDNBSSA-N 1 0 252.314 2.234 20 5 CEBDRO COC[C@@H](c1ccc(Cl)cc1)N(C)CC[N+](=O)[O-] ZINC001119772525 815158386 /nfs/dbraw/zinc/15/83/86/815158386.db2.gz BGPMCNZAPHHULL-LBPRGKRZSA-N 1 0 272.732 2.236 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C1CC1 ZINC000690209678 808607962 /nfs/dbraw/zinc/60/79/62/808607962.db2.gz BKILOTWJGCLDQA-ZDUSSCGKSA-N 1 0 284.743 2.451 20 5 CEBDRO COc1ccnc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168593858 808688656 /nfs/dbraw/zinc/68/86/56/808688656.db2.gz VPJKQRDQFVNGGW-QWRGUYRKSA-N 1 0 294.355 2.283 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000361354213 809223592 /nfs/dbraw/zinc/22/35/92/809223592.db2.gz DTIIRXKFXUSCRB-CQSZACIVSA-N 1 0 280.324 2.084 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627812 809333493 /nfs/dbraw/zinc/33/34/93/809333493.db2.gz QCHIONJALJRWNH-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627805 809333850 /nfs/dbraw/zinc/33/38/50/809333850.db2.gz PMNHTUORKISZEZ-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701044237 809383019 /nfs/dbraw/zinc/38/30/19/809383019.db2.gz RGZIEOBHSUNGSG-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067648 809385301 /nfs/dbraw/zinc/38/53/01/809385301.db2.gz FXVYPDSVMUNMMN-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067647 809385346 /nfs/dbraw/zinc/38/53/46/809385346.db2.gz FXVYPDSVMUNMMN-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[NH2+]1 ZINC001120863308 815287131 /nfs/dbraw/zinc/28/71/31/815287131.db2.gz ROJNIDRTMCTZSH-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061889 809491421 /nfs/dbraw/zinc/49/14/21/809491421.db2.gz DSXPVEZXWXJRPQ-SNVBAGLBSA-N 1 0 297.742 2.202 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000702064406 809491995 /nfs/dbraw/zinc/49/19/95/809491995.db2.gz PTIRGRUQKXLWMR-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702063122 809492216 /nfs/dbraw/zinc/49/22/16/809492216.db2.gz KHUKEJXINMQFKR-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOCCF)c1 ZINC000702646538 809574425 /nfs/dbraw/zinc/57/44/25/809574425.db2.gz QIVLIDSLLNAWPW-UHFFFAOYSA-N 1 0 276.695 2.324 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000706545473 809834524 /nfs/dbraw/zinc/83/45/24/809834524.db2.gz XEOJMLDEUGUJJH-MGCOHNPYSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001163771644 810188945 /nfs/dbraw/zinc/18/89/45/810188945.db2.gz DTOSMSQYYDWZQF-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164062191 810272598 /nfs/dbraw/zinc/27/25/98/810272598.db2.gz JTRKBWJYHKTFHR-BDAKNGLRSA-N 1 0 284.747 2.207 20 5 CEBDRO C[C@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001121841100 815359688 /nfs/dbraw/zinc/35/96/88/815359688.db2.gz PCTQQBCXSGJKRR-NTZNESFSSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1cc(NC(=O)CC[NH2+]CC2CC2)cc([N+](=O)[O-])c1 ZINC001122511375 815420127 /nfs/dbraw/zinc/42/01/27/815420127.db2.gz NSTCVHHKNREUPN-UHFFFAOYSA-N 1 0 277.324 2.231 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720995812 811105933 /nfs/dbraw/zinc/10/59/33/811105933.db2.gz ZZILXOABUBGAGM-JLIMDTESSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817606 811246490 /nfs/dbraw/zinc/24/64/90/811246490.db2.gz XXHDXQZZOXBZOW-NSHDSACASA-N 1 0 290.298 2.044 20 5 CEBDRO Cc1cccc(OCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978206 811306170 /nfs/dbraw/zinc/30/61/70/811306170.db2.gz PTWHQIUEHIOIIS-KGLIPLIRSA-N 1 0 278.352 2.409 20 5 CEBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978624 811307912 /nfs/dbraw/zinc/30/79/12/811307912.db2.gz TUWLEWOKNBWMBQ-ZNMIVQPWSA-N 1 0 283.416 2.142 20 5 CEBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981230 811309554 /nfs/dbraw/zinc/30/95/54/811309554.db2.gz GVWPCQFHGWROLJ-PMPSAXMXSA-N 1 0 292.379 2.279 20 5 CEBDRO COc1cc(F)ccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986169 811310073 /nfs/dbraw/zinc/31/00/73/811310073.db2.gz WWNJJBZZZKFYBC-GXFFZTMASA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001168956285 811312182 /nfs/dbraw/zinc/31/21/82/811312182.db2.gz DGZLMSHGZQIACZ-NOZJJQNGSA-N 1 0 270.279 2.500 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168963227 811314963 /nfs/dbraw/zinc/31/49/63/811314963.db2.gz OTXZLRZZMVPCOP-WCQYABFASA-N 1 0 263.341 2.352 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168967558 811318755 /nfs/dbraw/zinc/31/87/55/811318755.db2.gz QSCLRNQTLMYDAZ-SCZZXKLOSA-N 1 0 283.278 2.325 20 5 CEBDRO CN(C)c1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967392 811319332 /nfs/dbraw/zinc/31/93/32/811319332.db2.gz POELFIPPMUNYBW-JSGCOSHPSA-N 1 0 277.368 2.288 20 5 CEBDRO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972526 811321338 /nfs/dbraw/zinc/32/13/38/811321338.db2.gz NHPFSEUAHQLNNN-SYQHCUMBSA-N 1 0 284.400 2.351 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC001169009059 811333323 /nfs/dbraw/zinc/33/33/23/811333323.db2.gz UQDUNWBQZCHZNF-WFASDCNBSA-N 1 0 260.337 2.490 20 5 CEBDRO CC(C)c1nc(CC[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169012176 811333453 /nfs/dbraw/zinc/33/34/53/811333453.db2.gz OMLJDEIANCXXSD-VXGBXAGGSA-N 1 0 296.371 2.113 20 5 CEBDRO O=C(CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001169009080 811335415 /nfs/dbraw/zinc/33/54/15/811335415.db2.gz VBJQTIIUYILPJR-OCCSQVGLSA-N 1 0 291.351 2.080 20 5 CEBDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988591 811338471 /nfs/dbraw/zinc/33/84/71/811338471.db2.gz SSAXWKIECYETOQ-NWDGAFQWSA-N 1 0 286.372 2.001 20 5 CEBDRO Cn1nc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168989827 811340092 /nfs/dbraw/zinc/34/00/92/811340092.db2.gz WVQAZXUTCDHSPG-NWDGAFQWSA-N 1 0 288.351 2.108 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034172 811346309 /nfs/dbraw/zinc/34/63/09/811346309.db2.gz FTQIBGMCNBALEU-UPJWGTAASA-N 1 0 298.383 2.238 20 5 CEBDRO C[N@H+](CC1CC(F)(F)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034167 811346467 /nfs/dbraw/zinc/34/64/67/811346467.db2.gz FPWGSJYJMGMWGF-ONGXEEELSA-N 1 0 262.300 2.409 20 5 CEBDRO C[N@H+](CCc1cccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033611 811346572 /nfs/dbraw/zinc/34/65/72/811346572.db2.gz CKOATMMBFHNUGQ-KGLIPLIRSA-N 1 0 263.341 2.001 20 5 CEBDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039037 811348078 /nfs/dbraw/zinc/34/80/78/811348078.db2.gz MPRQFIQSRJXGSB-SRVKXCTJSA-N 1 0 286.372 2.094 20 5 CEBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038787 811348209 /nfs/dbraw/zinc/34/82/09/811348209.db2.gz KJQGUMGPZXXPJK-IZXDZPFWSA-N 1 0 268.357 2.074 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(C(F)F)CC2)C1 ZINC001169038259 811348234 /nfs/dbraw/zinc/34/82/34/811348234.db2.gz XMAZBONIJFHESH-MWLCHTKSSA-N 1 0 262.300 2.409 20 5 CEBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038838 811349689 /nfs/dbraw/zinc/34/96/89/811349689.db2.gz KWTSTBNHLMGPEV-AAEUAGOBSA-N 1 0 292.335 2.293 20 5 CEBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169025907 811355047 /nfs/dbraw/zinc/35/50/47/811355047.db2.gz JUWXAKNCSPYJRF-NIFZNCRKSA-N 1 0 282.384 2.179 20 5 CEBDRO COCC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026571 811355462 /nfs/dbraw/zinc/35/54/62/811355462.db2.gz MYYCPJHDXJKOTQ-HZSPNIEDSA-N 1 0 270.373 2.323 20 5 CEBDRO COc1cccc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169046827 811357224 /nfs/dbraw/zinc/35/72/24/811357224.db2.gz NNCLPQJZNUZORO-OCCSQVGLSA-N 1 0 290.363 2.499 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169049300 811357419 /nfs/dbraw/zinc/35/74/19/811357419.db2.gz WJKASHXWHHMTRN-OCCSQVGLSA-N 1 0 263.341 2.267 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001169231815 811445402 /nfs/dbraw/zinc/44/54/02/811445402.db2.gz UDEKHQJMAZXOQF-ZETCQYMHSA-N 1 0 266.688 2.454 20 5 CEBDRO C[NH2+]CCNc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001156891853 811940340 /nfs/dbraw/zinc/94/03/40/811940340.db2.gz CPVUDPAHRIKSJH-UHFFFAOYSA-N 1 0 280.715 2.428 20 5 CEBDRO Cc1c(C)c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001157266467 812062662 /nfs/dbraw/zinc/06/26/62/812062662.db2.gz SRSUYFYEFVADEH-JSGCOSHPSA-N 1 0 290.367 2.137 20 5 CEBDRO CC(C)(C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123611353 815537128 /nfs/dbraw/zinc/53/71/28/815537128.db2.gz CPEJHWQCBQGGMJ-UHFFFAOYSA-N 1 0 299.396 2.298 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897890 815539677 /nfs/dbraw/zinc/53/96/77/815539677.db2.gz FURVPPLLWCLGRD-KBPBESRZSA-N 1 0 278.352 2.203 20 5 CEBDRO CC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172896012 815542849 /nfs/dbraw/zinc/54/28/49/815542849.db2.gz KSXJBJWWBLILAE-AWEZNQCLSA-N 1 0 290.363 2.468 20 5 CEBDRO O=C1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912883 815559102 /nfs/dbraw/zinc/55/91/02/815559102.db2.gz CETGDMXSEAGKCY-CYBMUJFWSA-N 1 0 274.320 2.117 20 5 CEBDRO CCC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133164374 813004725 /nfs/dbraw/zinc/00/47/25/813004725.db2.gz ZTJQTUHQXUMCOQ-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CC(C)([NH3+])CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160025144 813721063 /nfs/dbraw/zinc/72/10/63/813721063.db2.gz MAENVISGYMHNOS-UHFFFAOYSA-N 1 0 279.127 2.446 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCOC2)c1F ZINC001173176898 815616962 /nfs/dbraw/zinc/61/69/62/815616962.db2.gz NKZFMJDYEMYGJB-ZJUUUORDSA-N 1 0 298.314 2.052 20 5 CEBDRO CN1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712581455 814753643 /nfs/dbraw/zinc/75/36/43/814753643.db2.gz MVFWXFFYNHHOMA-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000712616848 814756913 /nfs/dbraw/zinc/75/69/13/814756913.db2.gz RUYADVIASBHQDN-JTQLQIEISA-N 1 0 253.277 2.240 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000712559723 814766444 /nfs/dbraw/zinc/76/64/44/814766444.db2.gz WJPAZDGTRPTPBO-JTQLQIEISA-N 1 0 272.308 2.259 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712565730 814767238 /nfs/dbraw/zinc/76/72/38/814767238.db2.gz QVCAQVMOHQGYDU-ZIAGYGMSSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(C)c1 ZINC001173217613 815624925 /nfs/dbraw/zinc/62/49/25/815624925.db2.gz XKBHEGMWMRBXSV-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO COC(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220521 815626396 /nfs/dbraw/zinc/62/63/96/815626396.db2.gz FQZWRLWLZPEGRF-MNOVXSKESA-N 1 0 280.324 2.067 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222134 815626600 /nfs/dbraw/zinc/62/66/00/815626600.db2.gz PIAPNQMOCYVDTE-BXUZGUMPSA-N 1 0 264.325 2.247 20 5 CEBDRO COCC1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173223533 815627728 /nfs/dbraw/zinc/62/77/28/815627728.db2.gz ASNSRWCQWXSDTN-LLVKDONJSA-N 1 0 264.325 2.104 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001173225504 815629206 /nfs/dbraw/zinc/62/92/06/815629206.db2.gz CPROKOPZVKCNTD-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(C)COC1 ZINC001173227201 815630549 /nfs/dbraw/zinc/63/05/49/815630549.db2.gz OJEOJCWQFVYTSA-GFCCVEGCSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC[C@@H]1F ZINC001173230033 815630671 /nfs/dbraw/zinc/63/06/71/815630671.db2.gz PXUDDNQUHDMUCV-DDTOSNHZSA-N 1 0 282.315 2.242 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)([NH+](C)C)C1 ZINC001173234913 815633864 /nfs/dbraw/zinc/63/38/64/815633864.db2.gz UNDDMZHJHLIFIQ-LBPRGKRZSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1COC(C)(C)OC1 ZINC001173234108 815633931 /nfs/dbraw/zinc/63/39/31/815633931.db2.gz MRIBJMIJAFYKKB-NSHDSACASA-N 1 0 294.351 2.267 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nccs1 ZINC001178611085 816771473 /nfs/dbraw/zinc/77/14/73/816771473.db2.gz VXOCMVSIEQDJNB-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000449103141 282101053 /nfs/dbraw/zinc/10/10/53/282101053.db2.gz OTWPRVJYBMPAMC-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000127745878 187330434 /nfs/dbraw/zinc/33/04/34/187330434.db2.gz UMEICTMPPOFWGL-CYBMUJFWSA-N 1 0 293.367 2.349 20 5 CEBDRO Cc1cnn(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449125305 282110032 /nfs/dbraw/zinc/11/00/32/282110032.db2.gz IWIZDLDYDPJAIU-CYBMUJFWSA-N 1 0 288.351 2.321 20 5 CEBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337625529 214186013 /nfs/dbraw/zinc/18/60/13/214186013.db2.gz AFAMDDCGXAURKR-LLVKDONJSA-N 1 0 277.324 2.265 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCCC[C@H]([NH3+])C1 ZINC000601324501 346821038 /nfs/dbraw/zinc/82/10/38/346821038.db2.gz PBHMBJOHEJEURL-ZDUSSCGKSA-N 1 0 293.367 2.307 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334458 346823810 /nfs/dbraw/zinc/82/38/10/346823810.db2.gz KUDNFLKUNQBCDN-IAQYHMDHSA-N 1 0 293.342 2.308 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCCCO)c1 ZINC000083392009 178398579 /nfs/dbraw/zinc/39/85/79/178398579.db2.gz DUXJBMARZNEUJC-UHFFFAOYSA-N 1 0 252.314 2.237 20 5 CEBDRO CSCC1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449194453 282138151 /nfs/dbraw/zinc/13/81/51/282138151.db2.gz PDDOPFIJWHYNQG-UHFFFAOYSA-N 1 0 298.412 2.303 20 5 CEBDRO C[C@@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036308481 361839366 /nfs/dbraw/zinc/83/93/66/361839366.db2.gz YGEJQTPDGZTPFI-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO CCOCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218465 282145370 /nfs/dbraw/zinc/14/53/70/282145370.db2.gz ILQJEVYNIPUFJX-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000449255450 282160005 /nfs/dbraw/zinc/16/00/05/282160005.db2.gz DKSLWXGIBSLBOT-LLVKDONJSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1nn(C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000125643159 187194607 /nfs/dbraw/zinc/19/46/07/187194607.db2.gz TWTRQRVRYGATFX-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449290088 282173873 /nfs/dbraw/zinc/17/38/73/282173873.db2.gz DJYFPJANSJDNBV-NWDGAFQWSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1O ZINC000449294874 282176328 /nfs/dbraw/zinc/17/63/28/282176328.db2.gz NVOLKEYILOQASN-NSHDSACASA-N 1 0 287.319 2.416 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449322637 282187814 /nfs/dbraw/zinc/18/78/14/282187814.db2.gz YKXGQQULQBIFHO-TZMCWYRMSA-N 1 0 280.368 2.380 20 5 CEBDRO Cc1cc(NCC[NH2+]C(C)(C)C)ncc1[N+](=O)[O-] ZINC000080600676 344015758 /nfs/dbraw/zinc/01/57/58/344015758.db2.gz KYVOLIBWIKDNIK-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO C[C@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041063985 362015725 /nfs/dbraw/zinc/01/57/25/362015725.db2.gz JCWJMQKTHKPWNC-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000041911601 362053289 /nfs/dbraw/zinc/05/32/89/362053289.db2.gz DBFVYWMREZTGDM-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO Cc1n[nH]c(C)c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126973185 365728863 /nfs/dbraw/zinc/72/88/63/365728863.db2.gz BAAJHBKKLFSKLY-UHFFFAOYSA-N 1 0 286.335 2.493 20 5 CEBDRO COc1ccc(C[NH2+]C2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449445023 282240330 /nfs/dbraw/zinc/24/03/30/282240330.db2.gz FRFFCBSVLUKNLN-UHFFFAOYSA-N 1 0 298.314 2.212 20 5 CEBDRO CC[NH+]1CCC(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000044526367 362153574 /nfs/dbraw/zinc/15/35/74/362153574.db2.gz HKWCJOSRPXEZSK-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049568933 343538227 /nfs/dbraw/zinc/53/82/27/343538227.db2.gz HJZNQTLABOPXQN-NWDGAFQWSA-N 1 0 262.313 2.029 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000601971693 346946988 /nfs/dbraw/zinc/94/69/88/346946988.db2.gz DVTRGHDQNJILIS-SECBINFHSA-N 1 0 297.380 2.164 20 5 CEBDRO COc1cc(NCC2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000273919264 192362200 /nfs/dbraw/zinc/36/22/00/192362200.db2.gz JKUULOYJAQNOPS-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO COC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053906850 343581849 /nfs/dbraw/zinc/58/18/49/343581849.db2.gz GMKPDYOGMPEOSZ-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000449566091 282285953 /nfs/dbraw/zinc/28/59/53/282285953.db2.gz MMTPXFNMACABQC-SNVBAGLBSA-N 1 0 279.340 2.014 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000064570845 343692334 /nfs/dbraw/zinc/69/23/34/343692334.db2.gz SFAAOBHSHOGDHA-LBPRGKRZSA-N 1 0 281.381 2.326 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811143 343722385 /nfs/dbraw/zinc/72/23/85/343722385.db2.gz AJUDKAAOQOICQX-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000068223022 343757849 /nfs/dbraw/zinc/75/78/49/343757849.db2.gz GWWJDQZWXBLUAN-ZDUSSCGKSA-N 1 0 293.367 2.301 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602027882 346964398 /nfs/dbraw/zinc/96/43/98/346964398.db2.gz WYDRFKVKNCWPEK-LLVKDONJSA-N 1 0 277.324 2.184 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000068342232 343762312 /nfs/dbraw/zinc/76/23/12/343762312.db2.gz LNVXYPQARVRKMM-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)COC1 ZINC000449605435 282301636 /nfs/dbraw/zinc/30/16/36/282301636.db2.gz ZIELGPWTLVEHRO-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO CN(CC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415101702 529906700 /nfs/dbraw/zinc/90/67/00/529906700.db2.gz CLLWHBMEHWHPEU-UHFFFAOYSA-N 1 0 275.308 2.245 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000076836009 343899553 /nfs/dbraw/zinc/89/95/53/343899553.db2.gz ZZZZXYBWLMUVBM-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636374 282313250 /nfs/dbraw/zinc/31/32/50/282313250.db2.gz DHQZMUKXEYSAGJ-AAEUAGOBSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000078379646 343950642 /nfs/dbraw/zinc/95/06/42/343950642.db2.gz DQOLWOCAPDFOHG-CYBMUJFWSA-N 1 0 293.367 2.364 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671055 343960913 /nfs/dbraw/zinc/96/09/13/343960913.db2.gz WTTUCAGGELKPNP-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049096340 362339065 /nfs/dbraw/zinc/33/90/65/362339065.db2.gz BKWGGSZLKJMHAM-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929702 344131278 /nfs/dbraw/zinc/13/12/78/344131278.db2.gz ZFMZIKBIHGLCRX-WDEREUQCSA-N 1 0 282.315 2.327 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413084 344139490 /nfs/dbraw/zinc/13/94/90/344139490.db2.gz BEXRFFFGRZYEID-SMDDNHRTSA-N 1 0 291.351 2.175 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000094136456 344234047 /nfs/dbraw/zinc/23/40/47/344234047.db2.gz UBNXJDLRXUQTAL-LLVKDONJSA-N 1 0 295.387 2.177 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000092652181 344197765 /nfs/dbraw/zinc/19/77/65/344197765.db2.gz ZRGLFFOXZWKVTK-SNVBAGLBSA-N 1 0 297.330 2.496 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092828686 344205196 /nfs/dbraw/zinc/20/51/96/344205196.db2.gz NCUVJLDNFPVPPN-LLVKDONJSA-N 1 0 295.387 2.035 20 5 CEBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122627307 344307503 /nfs/dbraw/zinc/30/75/03/344307503.db2.gz LACASCSUUMVZQG-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161023689 344463137 /nfs/dbraw/zinc/46/31/37/344463137.db2.gz BYMYRSYIQUROOA-OLZOCXBDSA-N 1 0 291.351 2.157 20 5 CEBDRO CC[N@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000050055044 362395341 /nfs/dbraw/zinc/39/53/41/362395341.db2.gz GITQKVKOGFCDQC-UHFFFAOYSA-N 1 0 280.324 2.288 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497338 344553739 /nfs/dbraw/zinc/55/37/39/344553739.db2.gz PHJOOSZOQRTXQO-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000227751643 344556347 /nfs/dbraw/zinc/55/63/47/344556347.db2.gz QOHTWXZAHRIEMP-ZFWWWQNUSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000228560519 344561075 /nfs/dbraw/zinc/56/10/75/344561075.db2.gz PCGDKYJEVLWMGI-LLVKDONJSA-N 1 0 274.280 2.378 20 5 CEBDRO C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000235183849 344589674 /nfs/dbraw/zinc/58/96/74/344589674.db2.gz CLPIQFUZFJXLHS-NXEZZACHSA-N 1 0 288.307 2.299 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050373050 362416648 /nfs/dbraw/zinc/41/66/48/362416648.db2.gz KIIXFUPSTQNDQC-ZIAGYGMSSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000052013657 362460578 /nfs/dbraw/zinc/46/05/78/362460578.db2.gz KAZNRICAHTYLPQ-TZMCWYRMSA-N 1 0 264.325 2.296 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000052128663 362468211 /nfs/dbraw/zinc/46/82/11/362468211.db2.gz RCDFQUUEGBYRJM-UHFFFAOYSA-N 1 0 250.298 2.315 20 5 CEBDRO COc1cc(C[NH2+]CCSC)c([N+](=O)[O-])cc1OC ZINC000237146197 344600323 /nfs/dbraw/zinc/60/03/23/344600323.db2.gz MBMQWPTYIDNIHP-UHFFFAOYSA-N 1 0 286.353 2.065 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000053204571 362488184 /nfs/dbraw/zinc/48/81/84/362488184.db2.gz PLFQAMNQQWVQJF-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO COCC[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282435630 344676256 /nfs/dbraw/zinc/67/62/56/344676256.db2.gz KPCHOAQTFUQEJR-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@H]1CCCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515644 347063869 /nfs/dbraw/zinc/06/38/69/347063869.db2.gz RCXCOAWLMGUOOC-AWEZNQCLSA-N 1 0 291.395 2.459 20 5 CEBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864056 344638111 /nfs/dbraw/zinc/63/81/11/344638111.db2.gz TVOITARIADJRMT-TZMCWYRMSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000313973408 344743835 /nfs/dbraw/zinc/74/38/35/344743835.db2.gz HYSAZOMXQOKIFV-SNVBAGLBSA-N 1 0 289.339 2.148 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000293022455 344690489 /nfs/dbraw/zinc/69/04/89/344690489.db2.gz FNABPGFUEKVJGF-CQSZACIVSA-N 1 0 278.352 2.232 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602537657 347070221 /nfs/dbraw/zinc/07/02/21/347070221.db2.gz BFQXJGSVWOLTDY-ZDUSSCGKSA-N 1 0 280.324 2.132 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H]1CCO1 ZINC000602547149 347071878 /nfs/dbraw/zinc/07/18/78/347071878.db2.gz AJSJTPIKAVTUFO-CYBMUJFWSA-N 1 0 280.324 2.262 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCC[C@@H]1CCO1 ZINC000602556393 347075455 /nfs/dbraw/zinc/07/54/55/347075455.db2.gz FKGHPPDWMJAJDA-CYBMUJFWSA-N 1 0 264.325 2.296 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602556467 347075540 /nfs/dbraw/zinc/07/55/40/347075540.db2.gz UMXRUJUHXARVMH-ZWNOBZJWSA-N 1 0 291.351 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000602565962 347081091 /nfs/dbraw/zinc/08/10/91/347081091.db2.gz CCHPBEQQYMOYBT-CYBMUJFWSA-N 1 0 286.335 2.008 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401145842 344866327 /nfs/dbraw/zinc/86/63/27/344866327.db2.gz BPFCOVOTCISPIW-JTQLQIEISA-N 1 0 268.292 2.025 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000401151513 344866668 /nfs/dbraw/zinc/86/66/68/344866668.db2.gz FQVNWBJGOPIWDA-WCBMZHEXSA-N 1 0 268.292 2.024 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401202779 344867151 /nfs/dbraw/zinc/86/71/51/344867151.db2.gz GLULAFYKOLFBGC-SNVBAGLBSA-N 1 0 282.319 2.271 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404360355 344880220 /nfs/dbraw/zinc/88/02/20/344880220.db2.gz DXVZSVWCLXGEMM-YPMHNXCESA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577089 347085438 /nfs/dbraw/zinc/08/54/38/347085438.db2.gz RLAJSADLGFRQTF-ZJUUUORDSA-N 1 0 291.307 2.393 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057156377 362571638 /nfs/dbraw/zinc/57/16/38/362571638.db2.gz SQRXFXFYZPINIV-NSHDSACASA-N 1 0 297.355 2.428 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010518 345109747 /nfs/dbraw/zinc/10/97/47/345109747.db2.gz MPWTWWCMUTXPEB-SMDDNHRTSA-N 1 0 295.770 2.384 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000590010791 345110247 /nfs/dbraw/zinc/11/02/47/345110247.db2.gz UJDYCTLZSJGCRE-XPTSAGLGSA-N 1 0 297.305 2.009 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437336 345254157 /nfs/dbraw/zinc/25/41/57/345254157.db2.gz GNIKJBSEVLSAPM-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000591532450 345263691 /nfs/dbraw/zinc/26/36/91/345263691.db2.gz LJWGYWNATQHXDL-ZYHUDNBSSA-N 1 0 252.314 2.325 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000591560474 345264055 /nfs/dbraw/zinc/26/40/55/345264055.db2.gz AENPNYPNIIHCTR-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO CCOc1ccc([C@H](C)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577200 345265201 /nfs/dbraw/zinc/26/52/01/345265201.db2.gz ALDFKQLXOVYGDD-NSHDSACASA-N 1 0 293.367 2.396 20 5 CEBDRO Cc1c([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000591579931 345266842 /nfs/dbraw/zinc/26/68/42/345266842.db2.gz AESSFODKHKDOAB-WOPDTQHZSA-N 1 0 281.331 2.254 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C=CCCC1 ZINC000591751612 345276856 /nfs/dbraw/zinc/27/68/56/345276856.db2.gz JGCQRQWMVZTWBF-QWHCGFSZSA-N 1 0 292.335 2.033 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592198217 345336375 /nfs/dbraw/zinc/33/63/75/345336375.db2.gz KRBYNWDSRMTWFH-AWEZNQCLSA-N 1 0 278.356 2.446 20 5 CEBDRO CNc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357394 345344963 /nfs/dbraw/zinc/34/49/63/345344963.db2.gz ZWNOGONAHFUWAA-JTQLQIEISA-N 1 0 289.295 2.111 20 5 CEBDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000592393335 345349328 /nfs/dbraw/zinc/34/93/28/345349328.db2.gz GMUBQEJXKBMGJT-LLVKDONJSA-N 1 0 289.339 2.007 20 5 CEBDRO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427759 345352099 /nfs/dbraw/zinc/35/20/99/345352099.db2.gz ZDQUCQYUOMMTSC-KBPBESRZSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592432815 345352489 /nfs/dbraw/zinc/35/24/89/345352489.db2.gz VCMVQLUQHVUCGH-SWLSCSKDSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1ccc(CN2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592431577 345353045 /nfs/dbraw/zinc/35/30/45/345353045.db2.gz KTPFHAJUWAIGSQ-UHFFFAOYSA-N 1 0 263.341 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475536 345359188 /nfs/dbraw/zinc/35/91/88/345359188.db2.gz MQAQFKIQHWBFBS-TYNCELHUSA-N 1 0 293.367 2.012 20 5 CEBDRO CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489503 345359749 /nfs/dbraw/zinc/35/97/49/345359749.db2.gz YCWVBEORJPVNFC-OLZOCXBDSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602578582 347086291 /nfs/dbraw/zinc/08/62/91/347086291.db2.gz OFUPANYKAATFQH-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO CC(C)([NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966075 345417205 /nfs/dbraw/zinc/41/72/05/345417205.db2.gz XJHCQERMCFKJTE-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047782 345428576 /nfs/dbraw/zinc/42/85/76/345428576.db2.gz DSIQYFNENDZLJU-YPMHNXCESA-N 1 0 296.367 2.490 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295107988 199348369 /nfs/dbraw/zinc/34/83/69/199348369.db2.gz UQLGYUDLWXKZCR-JTQLQIEISA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@H](CCO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694998 345523595 /nfs/dbraw/zinc/52/35/95/345523595.db2.gz VRUMMEZCQWTWCN-SMYYYNMVSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CCF ZINC000593718627 345526295 /nfs/dbraw/zinc/52/62/95/345526295.db2.gz NLGSQIMGMCNMMK-WDEREUQCSA-N 1 0 270.304 2.274 20 5 CEBDRO Cc1c(C(=O)NCCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593919004 345552601 /nfs/dbraw/zinc/55/26/01/345552601.db2.gz LUXGAIHHOBZLDL-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC(C)C1 ZINC000594215481 345598953 /nfs/dbraw/zinc/59/89/53/345598953.db2.gz QITOXBXCCQYJPQ-LLVKDONJSA-N 1 0 277.324 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594599263 345655998 /nfs/dbraw/zinc/65/59/98/345655998.db2.gz IPVKQVHSAXDYDL-QWHCGFSZSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594924647 345704102 /nfs/dbraw/zinc/70/41/02/345704102.db2.gz KKSVEFXEPOQCEM-UHFFFAOYSA-N 1 0 272.308 2.027 20 5 CEBDRO Cc1ccc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000594932095 345707643 /nfs/dbraw/zinc/70/76/43/345707643.db2.gz WCFCREARRVVPNY-UHFFFAOYSA-N 1 0 299.334 2.371 20 5 CEBDRO Cc1noc(CN2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595295586 345757038 /nfs/dbraw/zinc/75/70/38/345757038.db2.gz MGSQZZLZPANZAJ-UHFFFAOYSA-N 1 0 296.371 2.055 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594994476 345723160 /nfs/dbraw/zinc/72/31/60/345723160.db2.gz GBZGHJZRLOMHGZ-LBPRGKRZSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000595016077 345727408 /nfs/dbraw/zinc/72/74/08/345727408.db2.gz GZSZTGQNOZDNHB-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000595024483 345730417 /nfs/dbraw/zinc/73/04/17/345730417.db2.gz GKMKIKYKRAPCKG-CYBMUJFWSA-N 1 0 286.335 2.459 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C\CO)CCC2 ZINC000595065502 345738186 /nfs/dbraw/zinc/73/81/86/345738186.db2.gz BUOLAALJYXZRCX-BOPNBLERSA-N 1 0 262.309 2.110 20 5 CEBDRO Cc1noc(C[NH2+]C2(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000595557050 345812109 /nfs/dbraw/zinc/81/21/09/345812109.db2.gz DOWRVFDKBCSAST-UHFFFAOYSA-N 1 0 251.286 2.314 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595347254 345766358 /nfs/dbraw/zinc/76/63/58/345766358.db2.gz PESDCWZFCYEFEN-PWSUYJOCSA-N 1 0 296.371 2.196 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595377114 345771084 /nfs/dbraw/zinc/77/10/84/345771084.db2.gz NZFJPNJNWYOTRY-JQWIXIFHSA-N 1 0 296.371 2.053 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388990 345772441 /nfs/dbraw/zinc/77/24/41/345772441.db2.gz JXYHUTFMQCJPCQ-RYUDHWBXSA-N 1 0 295.339 2.140 20 5 CEBDRO Cc1noc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523138 345803248 /nfs/dbraw/zinc/80/32/48/345803248.db2.gz IKZAVLIAGOFYEN-WCQYABFASA-N 1 0 299.371 2.270 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529721 345803817 /nfs/dbraw/zinc/80/38/17/345803817.db2.gz QZHSUNSDKFFTAH-DGCLKSJQSA-N 1 0 282.315 2.327 20 5 CEBDRO CO[C@@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660324 345841056 /nfs/dbraw/zinc/84/10/56/345841056.db2.gz FEDBOWUIHICBEF-DOMZBBRYSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748826 345865852 /nfs/dbraw/zinc/86/58/52/345865852.db2.gz IBMDJLPBOPLPON-YABSGUDNSA-N 1 0 264.325 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000595749104 345865864 /nfs/dbraw/zinc/86/58/64/345865864.db2.gz DNJOMHWCMPCCCY-HNNXBMFYSA-N 1 0 294.326 2.471 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757993 345869560 /nfs/dbraw/zinc/86/95/60/345869560.db2.gz LSHBRTNVSHLSGF-DOMZBBRYSA-N 1 0 292.335 2.072 20 5 CEBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602581652 347088068 /nfs/dbraw/zinc/08/80/68/347088068.db2.gz YMDKPSMNKVTHGB-AWEZNQCLSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595871965 345902993 /nfs/dbraw/zinc/90/29/93/345902993.db2.gz JEWNRYJPBLGZLI-YGRLFVJLSA-N 1 0 282.315 2.184 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873711 345903031 /nfs/dbraw/zinc/90/30/31/345903031.db2.gz MPLAIGSQGVNJEO-IAQYHMDHSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2CC1(C)C2 ZINC000595917609 345912785 /nfs/dbraw/zinc/91/27/85/345912785.db2.gz ZIVGSYPGPPYSET-NLTNOIMHSA-N 1 0 289.335 2.406 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596061860 345930299 /nfs/dbraw/zinc/93/02/99/345930299.db2.gz LRFSFJNCWJKCEV-NSHDSACASA-N 1 0 294.355 2.372 20 5 CEBDRO Cc1ccc(NCCN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596425928 346020021 /nfs/dbraw/zinc/02/00/21/346020021.db2.gz YUVOJCQOXIGYJI-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO COc1cccc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596432585 346021925 /nfs/dbraw/zinc/02/19/25/346021925.db2.gz RASMUFJZHYMQGT-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596308449 345995876 /nfs/dbraw/zinc/99/58/76/345995876.db2.gz SLPRQRXIOOWCPF-GFCCVEGCSA-N 1 0 292.383 2.252 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000596452813 346027498 /nfs/dbraw/zinc/02/74/98/346027498.db2.gz GQNRBZVRSMYROZ-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1c([C@H](C)NCC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000596652843 346072094 /nfs/dbraw/zinc/07/20/94/346072094.db2.gz JFQIOCGPZNGORM-BZUNDVKYSA-N 1 0 275.352 2.306 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652820 346072318 /nfs/dbraw/zinc/07/23/18/346072318.db2.gz IKFZRAZGWCENHN-MNOVXSKESA-N 1 0 251.330 2.162 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596842647 346095101 /nfs/dbraw/zinc/09/51/01/346095101.db2.gz OPZJEAPCOJKMAS-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[N@H+](C)C1 ZINC000597947569 346256707 /nfs/dbraw/zinc/25/67/07/346256707.db2.gz YXZQZRRYIBFIPI-JTQLQIEISA-N 1 0 297.380 2.131 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449210237 260295589 /nfs/dbraw/zinc/29/55/89/260295589.db2.gz GYCQRTICMMYDPP-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@H](CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295145649 199370439 /nfs/dbraw/zinc/37/04/39/199370439.db2.gz QLTMPXCHHNURCS-VIFPVBQESA-N 1 0 258.343 2.155 20 5 CEBDRO Cc1sc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576691 346376932 /nfs/dbraw/zinc/37/69/32/346376932.db2.gz YVVNFFYRZGDWCU-JTQLQIEISA-N 1 0 297.380 2.035 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598647569 346392251 /nfs/dbraw/zinc/39/22/51/346392251.db2.gz OUHWSWJOJDOWCW-ZYHUDNBSSA-N 1 0 282.315 2.184 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598646606 346392379 /nfs/dbraw/zinc/39/23/79/346392379.db2.gz URLPRJJDTFIPHW-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000599014418 346445920 /nfs/dbraw/zinc/44/59/20/346445920.db2.gz AGEKSMJTZUAWRV-WAAGHKOSSA-N 1 0 256.327 2.171 20 5 CEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000598915126 346433455 /nfs/dbraw/zinc/43/34/55/346433455.db2.gz IICBJISUGFZREF-JTQLQIEISA-N 1 0 298.730 2.107 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598991189 346443156 /nfs/dbraw/zinc/44/31/56/346443156.db2.gz LYKPTRBTKBEBOF-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000602600213 347094872 /nfs/dbraw/zinc/09/48/72/347094872.db2.gz ULIWPIIUJSJFNW-AULYBMBSSA-N 1 0 291.351 2.151 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000599141811 346466787 /nfs/dbraw/zinc/46/67/87/346466787.db2.gz RLIJZDFJYVTCHW-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602597841 347094051 /nfs/dbraw/zinc/09/40/51/347094051.db2.gz GTTLDDWILLLEFQ-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000602597412 347094164 /nfs/dbraw/zinc/09/41/64/347094164.db2.gz CEBYKNWRENIXHS-AULYBMBSSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)c1ccc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602594732 347092319 /nfs/dbraw/zinc/09/23/19/347092319.db2.gz CQGVTTQVGPLILQ-JQWIXIFHSA-N 1 0 291.351 2.280 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)Cc2ccccc2)cs1 ZINC000063218896 362763049 /nfs/dbraw/zinc/76/30/49/362763049.db2.gz NUYQVLHPFLSNMI-ZDUSSCGKSA-N 1 0 292.360 2.350 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000599623944 346548149 /nfs/dbraw/zinc/54/81/49/346548149.db2.gz INMDSVQNIBYTOL-ZAZJYDDPSA-N 1 0 294.351 2.375 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712229 346676073 /nfs/dbraw/zinc/67/60/73/346676073.db2.gz UZUSYJKSYFQIAL-ZFWWWQNUSA-N 1 0 293.367 2.014 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000128441940 187371351 /nfs/dbraw/zinc/37/13/51/187371351.db2.gz FRCICQXVBHXTTQ-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO CC(C)=CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148421 346769703 /nfs/dbraw/zinc/76/97/03/346769703.db2.gz BMEJCGUWLROZHL-CQSZACIVSA-N 1 0 264.325 2.358 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000336814978 365857371 /nfs/dbraw/zinc/85/73/71/365857371.db2.gz YKXQCUFFIDLWRE-NSHDSACASA-N 1 0 266.341 2.496 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601108551 346754658 /nfs/dbraw/zinc/75/46/58/346754658.db2.gz IVCWJLRBHJVVLJ-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO CO[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336819484 365864690 /nfs/dbraw/zinc/86/46/90/365864690.db2.gz ZZRHOHRHDISYMO-AWEZNQCLSA-N 1 0 264.325 2.500 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629518 347112232 /nfs/dbraw/zinc/11/22/32/347112232.db2.gz KSANFPRTYXRWND-IUCAKERBSA-N 1 0 279.296 2.249 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC([NH+]2CCCC2)C1 ZINC000601193805 346782819 /nfs/dbraw/zinc/78/28/19/346782819.db2.gz QFSKJRINSIRRPI-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1cc(N2CC([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601193915 346782946 /nfs/dbraw/zinc/78/29/46/346782946.db2.gz RXQGZYZQDHSKQH-UHFFFAOYSA-N 1 0 279.315 2.327 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635641 347116233 /nfs/dbraw/zinc/11/62/33/347116233.db2.gz AULVEXLDAJDTQW-BDAKNGLRSA-N 1 0 292.364 2.455 20 5 CEBDRO Cn1cc(C[N@@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602693920 347151864 /nfs/dbraw/zinc/15/18/64/347151864.db2.gz HVUMMLWALURIMB-UHFFFAOYSA-N 1 0 296.396 2.190 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccn1 ZINC000602788305 347198780 /nfs/dbraw/zinc/19/87/80/347198780.db2.gz NJJDRVUUOOBIAP-UHFFFAOYSA-N 1 0 289.339 2.017 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000602801899 347204795 /nfs/dbraw/zinc/20/47/95/347204795.db2.gz VPGJZMSVKKRBGO-WDEREUQCSA-N 1 0 266.345 2.078 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000602804139 347206509 /nfs/dbraw/zinc/20/65/09/347206509.db2.gz IXLHSDHQIPNJPY-LLVKDONJSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000602804140 347206661 /nfs/dbraw/zinc/20/66/61/347206661.db2.gz IXLHSDHQIPNJPY-NSHDSACASA-N 1 0 280.372 2.468 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733870 347177937 /nfs/dbraw/zinc/17/79/37/347177937.db2.gz XHBLFHBDZAPRDB-GYSYKLTISA-N 1 0 264.325 2.048 20 5 CEBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602844055 347221542 /nfs/dbraw/zinc/22/15/42/347221542.db2.gz YKHDKWXBSHPWSW-ZWNOBZJWSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000086014150 179215572 /nfs/dbraw/zinc/21/55/72/179215572.db2.gz SJUPGYWOMWRLGU-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[C@@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218949 347311929 /nfs/dbraw/zinc/31/19/29/347311929.db2.gz OGJMYPVVEUEPDS-MWLCHTKSSA-N 1 0 275.312 2.205 20 5 CEBDRO CN(CCCC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000603421796 347366555 /nfs/dbraw/zinc/36/65/55/347366555.db2.gz CUKDOAVRLKBWSG-UHFFFAOYSA-N 1 0 293.371 2.087 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604540506 347420662 /nfs/dbraw/zinc/42/06/62/347420662.db2.gz NIUXRACZWXQGQT-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609670565 347649352 /nfs/dbraw/zinc/64/93/52/347649352.db2.gz UPYSIJDZLJPVDL-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610395552 347677900 /nfs/dbraw/zinc/67/79/00/347677900.db2.gz XAYRFMLLTNDJMQ-GFCCVEGCSA-N 1 0 277.368 2.335 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336840152 365911112 /nfs/dbraw/zinc/91/11/12/365911112.db2.gz PSTFBTFCFZMCBI-GXSJLCMTSA-N 1 0 281.360 2.014 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585249 347694184 /nfs/dbraw/zinc/69/41/84/347694184.db2.gz HNMKCNDODRXQJD-NEPJUHHUSA-N 1 0 262.309 2.458 20 5 CEBDRO C[C@H]([NH2+]CCn1ccccc1=O)c1ccccc1[N+](=O)[O-] ZINC000610342439 347673311 /nfs/dbraw/zinc/67/33/11/347673311.db2.gz SSFXSAUWNZXSNQ-LBPRGKRZSA-N 1 0 287.319 2.107 20 5 CEBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611412749 347776288 /nfs/dbraw/zinc/77/62/88/347776288.db2.gz YRVAOUZJIOFWHA-MRVPVSSYSA-N 1 0 253.327 2.305 20 5 CEBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])nc1 ZINC000450358293 282570772 /nfs/dbraw/zinc/57/07/72/282570772.db2.gz RKTNYNGONHEVEU-UHFFFAOYSA-N 1 0 255.343 2.424 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(C)(C)O ZINC000612580046 347903648 /nfs/dbraw/zinc/90/36/48/347903648.db2.gz BGHKYYDHZAFUOX-SNVBAGLBSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000086626203 179313103 /nfs/dbraw/zinc/31/31/03/179313103.db2.gz QITRGSHJTXFMFI-MWLCHTKSSA-N 1 0 252.314 2.182 20 5 CEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000612793993 347927060 /nfs/dbraw/zinc/92/70/60/347927060.db2.gz KVUZVIRABLKEBW-UHFFFAOYSA-N 1 0 253.327 2.330 20 5 CEBDRO COc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496351 348336403 /nfs/dbraw/zinc/33/64/03/348336403.db2.gz YMXFBFBAZNXQDA-WDEREUQCSA-N 1 0 279.340 2.132 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000067651471 362914407 /nfs/dbraw/zinc/91/44/07/362914407.db2.gz LLWXVYQWPIJQNS-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339481261 215197907 /nfs/dbraw/zinc/19/79/07/215197907.db2.gz CKRMKHMZUDUSQG-VIFPVBQESA-N 1 0 256.277 2.441 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125717 233010757 /nfs/dbraw/zinc/01/07/57/233010757.db2.gz WBSGLFBLFIJPKC-UJOCRUBTSA-N 1 0 287.363 2.149 20 5 CEBDRO CCNC(=O)CN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615836083 348396790 /nfs/dbraw/zinc/39/67/90/348396790.db2.gz PMZVBYXBLACYFL-WQLSENKSSA-N 1 0 291.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000450456646 282619459 /nfs/dbraw/zinc/61/94/59/282619459.db2.gz QLIFLHFJLUGORB-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO CC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000619531987 349194445 /nfs/dbraw/zinc/19/44/45/349194445.db2.gz YIFCPVLJXQCZDL-CQSZACIVSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823376 349238398 /nfs/dbraw/zinc/23/83/98/349238398.db2.gz YQDTZMMZWUQRBP-KGLIPLIRSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090550796 180003037 /nfs/dbraw/zinc/00/30/37/180003037.db2.gz BYHPKYQWMOUZIG-UHFFFAOYSA-N 1 0 293.367 2.125 20 5 CEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000339713238 215309260 /nfs/dbraw/zinc/30/92/60/215309260.db2.gz VLJHFTXCKLDXSO-CHWSQXEVSA-N 1 0 278.356 2.302 20 5 CEBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091992859 180300493 /nfs/dbraw/zinc/30/04/93/180300493.db2.gz PSMUTXCHVBRACE-AWEZNQCLSA-N 1 0 289.339 2.269 20 5 CEBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@H]21 ZINC000339721061 215313739 /nfs/dbraw/zinc/31/37/39/215313739.db2.gz VERHMDYVQSOAGK-VXGBXAGGSA-N 1 0 278.356 2.302 20 5 CEBDRO CC[C@H](c1ccncc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000092225213 180346745 /nfs/dbraw/zinc/34/67/45/180346745.db2.gz YCNANRWNWCIUHV-CYBMUJFWSA-N 1 0 289.339 2.269 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107693669 186186239 /nfs/dbraw/zinc/18/62/39/186186239.db2.gz WHQLZEPXFIKEOM-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010172 186342511 /nfs/dbraw/zinc/34/25/11/186342511.db2.gz UETPRFVPNXITOY-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO COc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074557 363027022 /nfs/dbraw/zinc/02/70/22/363027022.db2.gz STXNJAHNRFYBAJ-DGCLKSJQSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070169973 363044122 /nfs/dbraw/zinc/04/41/22/363044122.db2.gz LOGHYGFQYONDPE-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1c(CN2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177627 363048865 /nfs/dbraw/zinc/04/88/65/363048865.db2.gz NLKMYQRMCPCUBS-NHYWBVRUSA-N 1 0 277.368 2.462 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504267 366059910 /nfs/dbraw/zinc/05/99/10/366059910.db2.gz WVEPGYFLCIRLGH-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123339712 187085915 /nfs/dbraw/zinc/08/59/15/187085915.db2.gz CLVVCGYKFCGSDB-UHFFFAOYSA-N 1 0 289.335 2.070 20 5 CEBDRO CSC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292047006 198143753 /nfs/dbraw/zinc/14/37/53/198143753.db2.gz BCFOOASHMVMOCL-JTQLQIEISA-N 1 0 284.381 2.143 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569233291 299189363 /nfs/dbraw/zinc/18/93/63/299189363.db2.gz ZPVPCNCJIJIMPO-GHMZBOCLSA-N 1 0 277.324 2.312 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000153115224 188064780 /nfs/dbraw/zinc/06/47/80/188064780.db2.gz IXZKJKJQGRZSLA-BJHJDKERSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295184180 199392480 /nfs/dbraw/zinc/39/24/80/199392480.db2.gz QCAQFMNEDSRQAU-LLVKDONJSA-N 1 0 282.340 2.065 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451543678 283028229 /nfs/dbraw/zinc/02/82/29/283028229.db2.gz LPSHXXLKONFYIB-BXUZGUMPSA-N 1 0 294.351 2.460 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133539562 366233944 /nfs/dbraw/zinc/23/39/44/366233944.db2.gz IZWWGEBWNIBCSO-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000271767901 191314852 /nfs/dbraw/zinc/31/48/52/191314852.db2.gz HUNQJRNLNIELBF-LBPRGKRZSA-N 1 0 291.351 2.176 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648126 191844444 /nfs/dbraw/zinc/84/44/44/191844444.db2.gz DUDSXZLJEONSNV-NWDGAFQWSA-N 1 0 282.340 2.215 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451941463 283148089 /nfs/dbraw/zinc/14/80/89/283148089.db2.gz YQXYGFIMRWBMKI-ZLKJLUDKSA-N 1 0 280.324 2.049 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133830796 366260418 /nfs/dbraw/zinc/26/04/18/366260418.db2.gz NKHHACYCKQRJKB-DYEKYZERSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000134238626 366302885 /nfs/dbraw/zinc/30/28/85/366302885.db2.gz FAHCQELEGXULEH-JQWIXIFHSA-N 1 0 250.298 2.170 20 5 CEBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000078971981 363559767 /nfs/dbraw/zinc/55/97/67/363559767.db2.gz FFCYFCXJRYBOEW-SNVBAGLBSA-N 1 0 299.396 2.362 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134823724 366363365 /nfs/dbraw/zinc/36/33/65/366363365.db2.gz SEURGLHRYOVGES-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH+]ccn1C ZINC000414305898 236332938 /nfs/dbraw/zinc/33/29/38/236332938.db2.gz QKYSUAHZKAOUSF-UHFFFAOYSA-N 1 0 276.296 2.339 20 5 CEBDRO Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294752151 199166532 /nfs/dbraw/zinc/16/65/32/199166532.db2.gz DFNQQLKJGQPPJA-CYBMUJFWSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@@H](CCCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294907392 199242088 /nfs/dbraw/zinc/24/20/88/199242088.db2.gz XUMGAJSMAAOOTG-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO COc1cc(C[NH2+]CC[C@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000338710550 366482693 /nfs/dbraw/zinc/48/26/93/366482693.db2.gz VTTPDOZJPMSGND-JTQLQIEISA-N 1 0 298.339 2.127 20 5 CEBDRO Cn1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080347008 363658156 /nfs/dbraw/zinc/65/81/56/363658156.db2.gz YZYLMIDIZDFVMO-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000089091242 283477786 /nfs/dbraw/zinc/47/77/86/283477786.db2.gz RLGVWFYFGAPQSP-KWQFWETISA-N 1 0 297.742 2.105 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149108943 366588116 /nfs/dbraw/zinc/58/81/16/366588116.db2.gz ACFFECHGFGYPOR-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])cn1)C1CC1 ZINC000080602571 363673498 /nfs/dbraw/zinc/67/34/98/363673498.db2.gz NDIDTSXWRAFLRV-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000130932412 283499100 /nfs/dbraw/zinc/49/91/00/283499100.db2.gz NAHAAZPNIGHDNY-SNVBAGLBSA-N 1 0 297.742 2.202 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000339027942 366619272 /nfs/dbraw/zinc/61/92/72/366619272.db2.gz WSOKCBVZHKHHMR-GFCCVEGCSA-N 1 0 295.387 2.252 20 5 CEBDRO Cc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150887355 366603063 /nfs/dbraw/zinc/60/30/63/366603063.db2.gz ZQEXSUMCSDHIQN-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(=O)c1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298301037 200388200 /nfs/dbraw/zinc/38/82/00/200388200.db2.gz MCRBPRUQVMSLPT-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO Cc1cnc(OCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000176706199 189005196 /nfs/dbraw/zinc/00/51/96/189005196.db2.gz WPKGGNKXQBASLJ-UHFFFAOYSA-N 1 0 265.313 2.163 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000341930053 216156938 /nfs/dbraw/zinc/15/69/38/216156938.db2.gz BMGWLEGDKBFONH-HNNXBMFYSA-N 1 0 292.335 2.358 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000177848275 189074193 /nfs/dbraw/zinc/07/41/93/189074193.db2.gz XPBJOYSAXSNZRU-NSHDSACASA-N 1 0 254.334 2.159 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177973923 189082019 /nfs/dbraw/zinc/08/20/19/189082019.db2.gz XANBIPYFZAPLLP-GXFFZTMASA-N 1 0 250.298 2.113 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000299633716 200812318 /nfs/dbraw/zinc/81/23/18/200812318.db2.gz OHYCNMHEZJWUHF-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179848585 189223650 /nfs/dbraw/zinc/22/36/50/189223650.db2.gz KQCZTXKXCLPPHZ-LBPRGKRZSA-N 1 0 294.351 2.378 20 5 CEBDRO CCCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412836 189253986 /nfs/dbraw/zinc/25/39/86/189253986.db2.gz JFOYIPCDENBKSK-LLVKDONJSA-N 1 0 279.340 2.162 20 5 CEBDRO CSCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000152547105 366702805 /nfs/dbraw/zinc/70/28/05/366702805.db2.gz SYDDGXVSRFUNHC-UHFFFAOYSA-N 1 0 298.364 2.256 20 5 CEBDRO COCCOCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571689485 299324163 /nfs/dbraw/zinc/32/41/63/299324163.db2.gz TZJQMXZASZITDY-ALCCZGGFSA-N 1 0 294.351 2.203 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236994532 370674139 /nfs/dbraw/zinc/67/41/39/370674139.db2.gz RJEGIFBLXKWDTE-ZYHUDNBSSA-N 1 0 279.340 2.208 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C ZINC000154453619 366773741 /nfs/dbraw/zinc/77/37/41/366773741.db2.gz WCGMBTDSADYENC-LLVKDONJSA-N 1 0 277.324 2.326 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000089511944 363974786 /nfs/dbraw/zinc/97/47/86/363974786.db2.gz RSTQXVNZZPGSRB-LLVKDONJSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650042 364211461 /nfs/dbraw/zinc/21/14/61/364211461.db2.gz GCJFGNKZEOSRNP-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO CNC(=O)CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093717484 364220695 /nfs/dbraw/zinc/22/06/95/364220695.db2.gz ZWKXRGXOSIQNMC-VMPITWQZSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@H](O)CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093481198 364189320 /nfs/dbraw/zinc/18/93/20/364189320.db2.gz UOXCQWWRGVAURI-PZBABLGHSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1c(CN2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342164 364269309 /nfs/dbraw/zinc/26/93/09/364269309.db2.gz MMTUDTPZFVVSHV-MFKMUULPSA-N 1 0 263.341 2.072 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771826 364293660 /nfs/dbraw/zinc/29/36/60/364293660.db2.gz RXZUBEUPQDNQIT-SECBINFHSA-N 1 0 277.328 2.223 20 5 CEBDRO COCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112354608 364798705 /nfs/dbraw/zinc/79/87/05/364798705.db2.gz CNVVCSJATZCYSA-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112837380 364849245 /nfs/dbraw/zinc/84/92/45/364849245.db2.gz ACTOPICAPPXFDP-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO COc1cc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000159224836 366890811 /nfs/dbraw/zinc/89/08/11/366890811.db2.gz ZUECHHOWFLLTNX-UHFFFAOYSA-N 1 0 297.355 2.364 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@H](O)C4(CC4)C3)c2c1 ZINC000582652814 366938455 /nfs/dbraw/zinc/93/84/55/366938455.db2.gz FMNHPLNCBLBJPQ-ZDUSSCGKSA-N 1 0 285.303 2.104 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[NH+](CC)CC ZINC000340857268 367061469 /nfs/dbraw/zinc/06/14/69/367061469.db2.gz OCEHDJOOPADOCU-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000161430831 367086341 /nfs/dbraw/zinc/08/63/41/367086341.db2.gz NDYCOAVLOYXGDY-YPMHNXCESA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOC1 ZINC000166150414 367317399 /nfs/dbraw/zinc/31/73/99/367317399.db2.gz NSWJHFLGSKDMMY-GXSJLCMTSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166368047 367321434 /nfs/dbraw/zinc/32/14/34/367321434.db2.gz MAAJAZWLRHNHRD-HUBLWGQQSA-N 1 0 294.351 2.439 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171068210 367470373 /nfs/dbraw/zinc/47/03/73/367470373.db2.gz VZXXXHYRVAXJPD-GFCCVEGCSA-N 1 0 292.339 2.071 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171691143 367595368 /nfs/dbraw/zinc/59/53/68/367595368.db2.gz VLNMVXMYVONSBV-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000173454627 367912445 /nfs/dbraw/zinc/91/24/45/367912445.db2.gz GPORZQHZMATDOK-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343612883 367916670 /nfs/dbraw/zinc/91/66/70/367916670.db2.gz PUDNYBUEZJMKCR-CQSZACIVSA-N 1 0 291.351 2.199 20 5 CEBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242414 368000912 /nfs/dbraw/zinc/00/09/12/368000912.db2.gz DTOMYFMQWXFALB-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174643312 368051993 /nfs/dbraw/zinc/05/19/93/368051993.db2.gz LRYFCEZBXFWVLH-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CC(=O)c1cc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000343805515 368015026 /nfs/dbraw/zinc/01/50/26/368015026.db2.gz LJTASPUVLCVIGD-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174809071 368070452 /nfs/dbraw/zinc/07/04/52/368070452.db2.gz CUYFMQABEGPOPG-VIFPVBQESA-N 1 0 292.261 2.066 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(C)C ZINC000176245695 368215736 /nfs/dbraw/zinc/21/57/36/368215736.db2.gz ZOLFVEXGFANGDC-NSHDSACASA-N 1 0 254.334 2.158 20 5 CEBDRO [NH3+][C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346093089 368542766 /nfs/dbraw/zinc/54/27/66/368542766.db2.gz MOLDNVCEIKLYLB-YIALFULDSA-N 1 0 261.325 2.031 20 5 CEBDRO Cc1cc(NCC[NH+]2[C@H](C)CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348181188 368937937 /nfs/dbraw/zinc/93/79/37/368937937.db2.gz NAHMSGAJFOOBOA-CHWSQXEVSA-N 1 0 292.383 2.395 20 5 CEBDRO CC(C)c1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000188089693 369292972 /nfs/dbraw/zinc/29/29/72/369292972.db2.gz KYDQAKUIZALQFT-UHFFFAOYSA-N 1 0 293.367 2.400 20 5 CEBDRO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206403 370950843 /nfs/dbraw/zinc/95/08/43/370950843.db2.gz SNAOZGIMVTTWSQ-CZUORRHYSA-N 1 0 291.395 2.457 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000189350802 369502741 /nfs/dbraw/zinc/50/27/41/369502741.db2.gz CTGPPGLXAOKGBO-NHYWBVRUSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889536 203357434 /nfs/dbraw/zinc/35/74/34/203357434.db2.gz BKAXGOTZCRRUOW-GHMZBOCLSA-N 1 0 277.324 2.406 20 5 CEBDRO COc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189865575 369573229 /nfs/dbraw/zinc/57/32/29/369573229.db2.gz WKQCCHJKAJHJSA-UHFFFAOYSA-N 1 0 294.351 2.339 20 5 CEBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000190931185 369662914 /nfs/dbraw/zinc/66/29/14/369662914.db2.gz IWZBWTHAUYXRQO-NXEZZACHSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000194514257 370045957 /nfs/dbraw/zinc/04/59/57/370045957.db2.gz RSEHNNPXUSHXET-LBPRGKRZSA-N 1 0 274.324 2.185 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195506445 370134887 /nfs/dbraw/zinc/13/48/87/370134887.db2.gz VYRHJBVYKBUFFC-UHFFFAOYSA-N 1 0 270.358 2.336 20 5 CEBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000354428446 370358223 /nfs/dbraw/zinc/35/82/23/370358223.db2.gz LKBRJUIJLQUBDQ-XYLWRLHESA-N 1 0 264.325 2.311 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000354352936 370328433 /nfs/dbraw/zinc/32/84/33/370328433.db2.gz KCZIRUQLBMTKHL-VXGBXAGGSA-N 1 0 278.356 2.299 20 5 CEBDRO C[C@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227960248 370390586 /nfs/dbraw/zinc/39/05/86/370390586.db2.gz WKMNZIUTDWEODA-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142342 370441666 /nfs/dbraw/zinc/44/16/66/370441666.db2.gz UVMJEQCVARRWJU-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc(C[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000230159920 370442971 /nfs/dbraw/zinc/44/29/71/370442971.db2.gz QDBOGXSLSUQZOC-LLVKDONJSA-N 1 0 282.340 2.102 20 5 CEBDRO CCC[NH2+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233094427 370516317 /nfs/dbraw/zinc/51/63/17/370516317.db2.gz NUIOPGTWMQLESO-UHFFFAOYSA-N 1 0 292.261 2.420 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884737 370497232 /nfs/dbraw/zinc/49/72/32/370497232.db2.gz ULFZLAURGYDQFL-GHMZBOCLSA-N 1 0 252.314 2.416 20 5 CEBDRO Cc1c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000231884520 370497755 /nfs/dbraw/zinc/49/77/55/370497755.db2.gz AJHHESXSZPEERI-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340765 370554124 /nfs/dbraw/zinc/55/41/24/370554124.db2.gz WXWZAWMXLDTUGU-MNOVXSKESA-N 1 0 266.345 2.339 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)C(C)C ZINC000355545717 370595479 /nfs/dbraw/zinc/59/54/79/370595479.db2.gz OQVZXWPTSDUZFG-SNVBAGLBSA-N 1 0 254.334 2.195 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236654161 370602747 /nfs/dbraw/zinc/60/27/47/370602747.db2.gz HYLJXTSBEQBHCQ-VIFPVBQESA-N 1 0 285.369 2.068 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000344023099 217012639 /nfs/dbraw/zinc/01/26/39/217012639.db2.gz HKHIGYLQEYQPNT-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248442081 371195350 /nfs/dbraw/zinc/19/53/50/371195350.db2.gz DWPQFSQIASFGLC-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+](C)C(C)C)n1 ZINC000359083425 371331151 /nfs/dbraw/zinc/33/11/51/371331151.db2.gz OJRJCBHXOHYTDZ-UHFFFAOYSA-N 1 0 266.345 2.359 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359212023 371376379 /nfs/dbraw/zinc/37/63/79/371376379.db2.gz KGLDASZGFXLXKF-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261608192 371674244 /nfs/dbraw/zinc/67/42/44/371674244.db2.gz BMYZUCGODVBJKV-MRXNPFEDSA-N 1 0 298.346 2.136 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000261797870 371735961 /nfs/dbraw/zinc/73/59/61/371735961.db2.gz OXZTTYXCNZJQKX-ZETCQYMHSA-N 1 0 296.714 2.449 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000361163641 371691726 /nfs/dbraw/zinc/69/17/26/371691726.db2.gz BMGVPXNSLYUTJE-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262281123 371845557 /nfs/dbraw/zinc/84/55/57/371845557.db2.gz UPSRRTGSRWSZQK-INIZCTEOSA-N 1 0 298.346 2.136 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361591908 371958574 /nfs/dbraw/zinc/95/85/74/371958574.db2.gz SSXAIMHTEWNOTQ-CYBMUJFWSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361650939 372002039 /nfs/dbraw/zinc/00/20/39/372002039.db2.gz CFKVSXQMGWTBQP-FAQJLRJSSA-N 1 0 276.336 2.168 20 5 CEBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000266311484 372042581 /nfs/dbraw/zinc/04/25/81/372042581.db2.gz DLJYDVKZVZLPDW-GFCCVEGCSA-N 1 0 279.340 2.134 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344186306 217090331 /nfs/dbraw/zinc/09/03/31/217090331.db2.gz DVJRIYHMWUGDKB-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176194 217087152 /nfs/dbraw/zinc/08/71/52/217087152.db2.gz RJKVBUJGZCAREF-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)COC1 ZINC000344225229 217106784 /nfs/dbraw/zinc/10/67/84/217106784.db2.gz SMHMLIIDBRXZQZ-UHFFFAOYSA-N 1 0 280.324 2.120 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908282 372281612 /nfs/dbraw/zinc/28/16/12/372281612.db2.gz HGIURCQFZPRIKJ-BXUZGUMPSA-N 1 0 296.392 2.422 20 5 CEBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269232515 372390567 /nfs/dbraw/zinc/39/05/67/372390567.db2.gz VYYXAMBYKXBXIL-GZMMTYOYSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353144 217164658 /nfs/dbraw/zinc/16/46/58/217164658.db2.gz JJTCTEYQMGRRHC-MWLCHTKSSA-N 1 0 269.370 2.229 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269611258 372504891 /nfs/dbraw/zinc/50/48/91/372504891.db2.gz FJMLRAWNCXUYLT-SECBINFHSA-N 1 0 285.294 2.403 20 5 CEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000269653149 372521023 /nfs/dbraw/zinc/52/10/23/372521023.db2.gz NFPLBXUWGIQMRC-CYBMUJFWSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775644 372562424 /nfs/dbraw/zinc/56/24/24/372562424.db2.gz DIPIRQVDAOQHRM-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000269772567 372562890 /nfs/dbraw/zinc/56/28/90/372562890.db2.gz BUNSZCFBUDYVQJ-MWLCHTKSSA-N 1 0 270.354 2.392 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+]2CCC1CC2 ZINC000364120098 372672794 /nfs/dbraw/zinc/67/27/94/372672794.db2.gz HKCOQQGRSMAFHO-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000344713106 217285427 /nfs/dbraw/zinc/28/54/27/217285427.db2.gz PXAKZSKCPLOTSC-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO CC[C@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344755647 217299230 /nfs/dbraw/zinc/29/92/30/217299230.db2.gz DEUSDAQUJLDEJP-LWMSPQMPSA-N 1 0 264.325 2.359 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCO ZINC000344783024 217310329 /nfs/dbraw/zinc/31/03/29/217310329.db2.gz IFSMFJLCJDYNMK-NXIHDVOMSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000366615414 373091604 /nfs/dbraw/zinc/09/16/04/373091604.db2.gz BNIJPZDRDAXBME-OAHLLOKOSA-N 1 0 292.335 2.216 20 5 CEBDRO C[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049109 217396802 /nfs/dbraw/zinc/39/68/02/217396802.db2.gz GGLUDHXQHYOQSC-GVXVVHGQSA-N 1 0 262.309 2.182 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272667336 373606625 /nfs/dbraw/zinc/60/66/25/373606625.db2.gz SMVLXUWKFADZCJ-NEPJUHHUSA-N 1 0 281.381 2.182 20 5 CEBDRO COc1cc(N(C)CC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000274420548 373915874 /nfs/dbraw/zinc/91/58/74/373915874.db2.gz BYQFXQSJPUJRMB-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000274857289 374073412 /nfs/dbraw/zinc/07/34/12/374073412.db2.gz HFSTWLUZJGKSDO-ZDUSSCGKSA-N 1 0 296.367 2.442 20 5 CEBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1CCC[NH+]1CCCCC1 ZINC000274924897 374096927 /nfs/dbraw/zinc/09/69/27/374096927.db2.gz NQGXQJPUKIVLPA-UHFFFAOYSA-N 1 0 299.758 2.286 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000277966570 374696057 /nfs/dbraw/zinc/69/60/57/374696057.db2.gz SJSGRZMPSLMHLL-TVQRCGJNSA-N 1 0 268.288 2.249 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCCCO ZINC000279513347 374901749 /nfs/dbraw/zinc/90/17/49/374901749.db2.gz XMRWDJGLKFYHTE-UHFFFAOYSA-N 1 0 266.341 2.498 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@H+]1CC=CCC1 ZINC000280256455 375145683 /nfs/dbraw/zinc/14/56/83/375145683.db2.gz NPSJTIQWPOLONS-UHFFFAOYSA-N 1 0 282.731 2.317 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000380506477 375164795 /nfs/dbraw/zinc/16/47/95/375164795.db2.gz YNJFFZZCTVJMSK-MNOVXSKESA-N 1 0 279.315 2.088 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000280176359 375119626 /nfs/dbraw/zinc/11/96/26/375119626.db2.gz SSZHZUSTUZZMCS-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382437255 375186137 /nfs/dbraw/zinc/18/61/37/375186137.db2.gz WUYAMPAQOZPDQJ-WCBMZHEXSA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1OCC[C@H]1CC[NH2+]C1 ZINC000385347785 375232841 /nfs/dbraw/zinc/23/28/41/375232841.db2.gz DBLZTCVBKJFLRA-SECBINFHSA-N 1 0 254.261 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399753152 375367792 /nfs/dbraw/zinc/36/77/92/375367792.db2.gz VHMBBQMQCYECRJ-GWCFXTLKSA-N 1 0 279.340 2.461 20 5 CEBDRO C[S@](=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000282287682 375447950 /nfs/dbraw/zinc/44/79/50/375447950.db2.gz IRKGNMPSPXHBRS-XXIDSNJLSA-N 1 0 294.376 2.109 20 5 CEBDRO C[C@@H]1[C@H](C)OCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282653605 375540391 /nfs/dbraw/zinc/54/03/91/375540391.db2.gz CNUKSZMWNWQPRN-ZJUUUORDSA-N 1 0 268.288 2.343 20 5 CEBDRO CC[C@H](C(=O)OC)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465693 375491281 /nfs/dbraw/zinc/49/12/81/375491281.db2.gz NJEFXKHDJDLRNT-CYBMUJFWSA-N 1 0 280.324 2.021 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809856 375580805 /nfs/dbraw/zinc/58/08/05/375580805.db2.gz RGCYQMHXXBKGRZ-WDEREUQCSA-N 1 0 297.330 2.028 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[C@H]1O ZINC000283280036 375685775 /nfs/dbraw/zinc/68/57/75/375685775.db2.gz XEQKTMBQJFOOSM-BXUZGUMPSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414658073 375903955 /nfs/dbraw/zinc/90/39/55/375903955.db2.gz LBKJTDVGXGOGAF-CMPLNLGQSA-N 1 0 292.339 2.023 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000286520487 375981327 /nfs/dbraw/zinc/98/13/27/375981327.db2.gz NEOZLEUEJXKUNU-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1c(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414715250 375936721 /nfs/dbraw/zinc/93/67/21/375936721.db2.gz WFXPRDCSRYTIFN-NXEZZACHSA-N 1 0 292.339 2.117 20 5 CEBDRO CCC([NH3+])(CC)CNCc1cccc([N+](=O)[O-])c1 ZINC000414799271 375983209 /nfs/dbraw/zinc/98/32/09/375983209.db2.gz GMDBVUWTUMOHEN-UHFFFAOYSA-N 1 0 251.330 2.202 20 5 CEBDRO CC(=O)c1cc(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000287615371 376275878 /nfs/dbraw/zinc/27/58/78/376275878.db2.gz GJPLAJONZYQBCD-UHFFFAOYSA-N 1 0 289.335 2.471 20 5 CEBDRO COCCOCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000288764028 376383564 /nfs/dbraw/zinc/38/35/64/376383564.db2.gz HRZMHVYVTZXYIW-GFCCVEGCSA-N 1 0 282.340 2.251 20 5 CEBDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000289915676 376557327 /nfs/dbraw/zinc/55/73/27/376557327.db2.gz UOYZJTDCHDEUPE-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO COc1ncccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000289876582 376541232 /nfs/dbraw/zinc/54/12/32/376541232.db2.gz RPLQNGYAUNVNKC-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420220962 376627978 /nfs/dbraw/zinc/62/79/78/376627978.db2.gz ZMGVWPQRMGDQIZ-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO CCC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420242128 376650093 /nfs/dbraw/zinc/65/00/93/376650093.db2.gz WGMATHCUOALGDT-UHFFFAOYSA-N 1 0 265.313 2.338 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000311962474 376695622 /nfs/dbraw/zinc/69/56/22/376695622.db2.gz PFSACOKOWLLCHH-GXTWGEPZSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017026 376931811 /nfs/dbraw/zinc/93/18/11/376931811.db2.gz NUJQJKYBSOASLB-MDZLAQPJSA-N 1 0 263.341 2.386 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000290882098 376966221 /nfs/dbraw/zinc/96/62/21/376966221.db2.gz GFVUQLGWYJLOPD-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563170387 377113481 /nfs/dbraw/zinc/11/34/81/377113481.db2.gz QYUJDXCNYUDBGH-WDEREUQCSA-N 1 0 279.340 2.067 20 5 CEBDRO C[C@@H](F)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562998535 377053602 /nfs/dbraw/zinc/05/36/02/377053602.db2.gz KKCOJYBBHPLNPH-SNVBAGLBSA-N 1 0 283.303 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000291225732 377130442 /nfs/dbraw/zinc/13/04/42/377130442.db2.gz JUNOJJLLGQAOTP-CQSZACIVSA-N 1 0 272.308 2.238 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000291287970 377159561 /nfs/dbraw/zinc/15/95/61/377159561.db2.gz QWQUNSRNWVJTQS-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275905 377199843 /nfs/dbraw/zinc/19/98/43/377199843.db2.gz MHOJXZNNRIHFFQ-GXFFZTMASA-N 1 0 293.367 2.381 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000565048027 377542356 /nfs/dbraw/zinc/54/23/56/377542356.db2.gz KCVUNTDHOHWPQY-SWLSCSKDSA-N 1 0 296.367 2.360 20 5 CEBDRO CCOCC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000293336748 377526115 /nfs/dbraw/zinc/52/61/15/377526115.db2.gz RZLOHOJMGPKHOD-UHFFFAOYSA-N 1 0 282.340 2.378 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CCCO)cs1 ZINC000332653104 377653992 /nfs/dbraw/zinc/65/39/92/377653992.db2.gz MRCWNKPSXDSEDG-NSHDSACASA-N 1 0 270.354 2.393 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724708 377690593 /nfs/dbraw/zinc/69/05/93/377690593.db2.gz QZJNYTKORCJFBF-LJXYTEIVSA-N 1 0 275.352 2.420 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000293740837 377734706 /nfs/dbraw/zinc/73/47/06/377734706.db2.gz SGADAVVJRBNISV-CYBMUJFWSA-N 1 0 252.314 2.500 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678548 378007964 /nfs/dbraw/zinc/00/79/64/378007964.db2.gz IBKFBTHELMSQAJ-MFKMUULPSA-N 1 0 281.356 2.235 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000265993005 190221501 /nfs/dbraw/zinc/22/15/01/190221501.db2.gz OATZBHYFEGZQHG-SNVBAGLBSA-N 1 0 282.321 2.381 20 5 CEBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000266011038 190222858 /nfs/dbraw/zinc/22/28/58/190222858.db2.gz MCPSTIKGFGGJIP-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000295226593 378059093 /nfs/dbraw/zinc/05/90/93/378059093.db2.gz NIGVRIWHAJAOPX-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000443519187 378059082 /nfs/dbraw/zinc/05/90/82/378059082.db2.gz NXQKCCQVSKMWSU-ZJUUUORDSA-N 1 0 284.385 2.360 20 5 CEBDRO Cc1ccc(CN(C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000296088576 378414753 /nfs/dbraw/zinc/41/47/53/378414753.db2.gz QZJVXDFENUISGW-UHFFFAOYSA-N 1 0 262.309 2.266 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000296149795 378433159 /nfs/dbraw/zinc/43/31/59/378433159.db2.gz XVDXKSVHNDNLRO-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000450590264 378490159 /nfs/dbraw/zinc/49/01/59/378490159.db2.gz DFTZIHCGWJKNEQ-LBPRGKRZSA-N 1 0 295.387 2.251 20 5 CEBDRO Cc1cc(N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450620797 378502403 /nfs/dbraw/zinc/50/24/03/378502403.db2.gz WMKIWMMNGHVNAO-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000296687841 378619168 /nfs/dbraw/zinc/61/91/68/378619168.db2.gz GZEISMFWIUUUDW-CYBMUJFWSA-N 1 0 272.308 2.068 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000450949515 378657582 /nfs/dbraw/zinc/65/75/82/378657582.db2.gz ASRCMRRXYBRUSC-GFCCVEGCSA-N 1 0 295.387 2.039 20 5 CEBDRO CC[NH+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298739095 378818145 /nfs/dbraw/zinc/81/81/45/378818145.db2.gz WXFJSFZWJTXPKG-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453301612 378859543 /nfs/dbraw/zinc/85/95/43/378859543.db2.gz XQOAUXHXGJWHMP-CORIIIEPSA-N 1 0 294.351 2.297 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000278542322 194034228 /nfs/dbraw/zinc/03/42/28/194034228.db2.gz AABVGYJGTDYVLG-ZIAGYGMSSA-N 1 0 298.314 2.018 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997891 218085750 /nfs/dbraw/zinc/08/57/50/218085750.db2.gz DPTYVBSKZWOJMQ-RISCZKNCSA-N 1 0 293.367 2.163 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000278560948 194043629 /nfs/dbraw/zinc/04/36/29/194043629.db2.gz CKILNTYOENXGRH-CABCVRRESA-N 1 0 294.351 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(F)c1 ZINC000347121397 218130115 /nfs/dbraw/zinc/13/01/15/218130115.db2.gz OWQZCBJRXLLLLF-ZDUSSCGKSA-N 1 0 279.315 2.060 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347264069 218173119 /nfs/dbraw/zinc/17/31/19/218173119.db2.gz NHSBMMADDUNGIA-SMDDNHRTSA-N 1 0 292.335 2.287 20 5 CEBDRO CCn1nccc1CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000507141414 379097277 /nfs/dbraw/zinc/09/72/77/379097277.db2.gz GASZLTMVOIQORW-UHFFFAOYSA-N 1 0 274.324 2.443 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515074746 379186440 /nfs/dbraw/zinc/18/64/40/379186440.db2.gz ZOSOROQNDZPVAM-GWCFXTLKSA-N 1 0 264.325 2.333 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]1F)Nc1ccccc1[N+](=O)[O-] ZINC000515234156 379198333 /nfs/dbraw/zinc/19/83/33/379198333.db2.gz CTFDNCGMACLTTF-WDEREUQCSA-N 1 0 295.314 2.404 20 5 CEBDRO Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000301671995 379295900 /nfs/dbraw/zinc/29/59/00/379295900.db2.gz ZGOXPOQAMFZDJE-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524903 379585131 /nfs/dbraw/zinc/58/51/31/379585131.db2.gz YYIXVUPCNXFSTP-IINYFYTJSA-N 1 0 282.315 2.469 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000267106493 190303956 /nfs/dbraw/zinc/30/39/56/190303956.db2.gz VZTWKIAATACJSN-UHFFFAOYSA-N 1 0 278.312 2.295 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000267318199 190320623 /nfs/dbraw/zinc/32/06/23/190320623.db2.gz YJYUEMXSIHZWMB-GHMZBOCLSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034066 190371285 /nfs/dbraw/zinc/37/12/85/190371285.db2.gz LVOQOUPLPRDJQT-WDEREUQCSA-N 1 0 277.324 2.312 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3CC3)CC2)n1 ZINC000489015511 380154117 /nfs/dbraw/zinc/15/41/17/380154117.db2.gz OJRLGAGWYQAERW-UHFFFAOYSA-N 1 0 264.329 2.228 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000334042474 380219405 /nfs/dbraw/zinc/21/94/05/380219405.db2.gz ORUJGGCYHLQUDJ-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000334041734 380219668 /nfs/dbraw/zinc/21/96/68/380219668.db2.gz AJYBRQOLINDZHM-JQWIXIFHSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000334042523 380220701 /nfs/dbraw/zinc/22/07/01/380220701.db2.gz REQUCVNZVXBSCM-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2CCCOC2)n1 ZINC000489953582 380225086 /nfs/dbraw/zinc/22/50/86/380225086.db2.gz CSJLLQNGZRYWJD-XQQFMLRXSA-N 1 0 294.355 2.044 20 5 CEBDRO COC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897578 380288496 /nfs/dbraw/zinc/28/84/96/380288496.db2.gz KLLODYKJAMDSIF-YPMHNXCESA-N 1 0 282.340 2.215 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000492819838 380700008 /nfs/dbraw/zinc/70/00/08/380700008.db2.gz UAQPUPNZLPARJL-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000289427716 197341958 /nfs/dbraw/zinc/34/19/58/197341958.db2.gz VICQXCDBJQTPMQ-JTQLQIEISA-N 1 0 252.314 2.186 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187317923 285115706 /nfs/dbraw/zinc/11/57/06/285115706.db2.gz VMEQZBTXINHNGU-MCIONIFRSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261631062 285155091 /nfs/dbraw/zinc/15/50/91/285155091.db2.gz VWAOQLGJPZQBMS-NXEZZACHSA-N 1 0 281.743 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266305386 285164113 /nfs/dbraw/zinc/16/41/13/285164113.db2.gz ZGTAMXRFOGPDHD-GFCCVEGCSA-N 1 0 259.309 2.045 20 5 CEBDRO C[NH+](C)[C@]1(CNc2ccc(N)cc2[N+](=O)[O-])CCSC1 ZINC000288406063 197069330 /nfs/dbraw/zinc/06/93/30/197069330.db2.gz NAZLZHJBHHGKQC-ZDUSSCGKSA-N 1 0 296.396 2.026 20 5 CEBDRO CCC[C@@H]([NH2+][C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614424 195308888 /nfs/dbraw/zinc/30/88/88/195308888.db2.gz NGHWVJJCCLOTNA-DZGCQCFKSA-N 1 0 296.367 2.423 20 5 CEBDRO C[NH2+]CCCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237193667 131012783 /nfs/dbraw/zinc/01/27/83/131012783.db2.gz PZHKOQVVCLMNGJ-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1cccc(N[C@@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000218836656 394457670 /nfs/dbraw/zinc/45/76/70/394457670.db2.gz MJIOLYLUQVLOMJ-LBPRGKRZSA-N 1 0 279.340 2.036 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000301364730 394460343 /nfs/dbraw/zinc/46/03/43/394460343.db2.gz NJTSGBQINCOCKD-AWEZNQCLSA-N 1 0 263.341 2.371 20 5 CEBDRO Cc1cccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000057713060 394564107 /nfs/dbraw/zinc/56/41/07/394564107.db2.gz GKGWVURQODMBFZ-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745115 394519168 /nfs/dbraw/zinc/51/91/68/394519168.db2.gz ZWIRYVLKFNXIKG-VWYCJHECSA-N 1 0 266.345 2.195 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000355764090 394524361 /nfs/dbraw/zinc/52/43/61/394524361.db2.gz GGLNFFJXUYIVCJ-YPMHNXCESA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000355764087 394524394 /nfs/dbraw/zinc/52/43/94/394524394.db2.gz GGLNFFJXUYIVCJ-DGCLKSJQSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000421780139 394592250 /nfs/dbraw/zinc/59/22/50/394592250.db2.gz QUHUXXQYDGOHDO-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262615890 394621320 /nfs/dbraw/zinc/62/13/20/394621320.db2.gz CWEIDXGMXFUFLH-MNOVXSKESA-N 1 0 289.335 2.001 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356853621 394631368 /nfs/dbraw/zinc/63/13/68/394631368.db2.gz SJVPJBLCDAHOSC-DGCLKSJQSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271190846 394749428 /nfs/dbraw/zinc/74/94/28/394749428.db2.gz PDLKTFNDWSLFHW-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000357008850 394680536 /nfs/dbraw/zinc/68/05/36/394680536.db2.gz VDHQVWHWZVCJJZ-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017916 394708092 /nfs/dbraw/zinc/70/80/92/394708092.db2.gz OZUNJCQYKGFUKD-RISCZKNCSA-N 1 0 289.339 2.316 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414187676 394725913 /nfs/dbraw/zinc/72/59/13/394725913.db2.gz QKGRVCDLTOTULO-MJBXVCDLSA-N 1 0 280.324 2.049 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000115443687 394755205 /nfs/dbraw/zinc/75/52/05/394755205.db2.gz WHGASJSXOKKJJE-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272650209 394775627 /nfs/dbraw/zinc/77/56/27/394775627.db2.gz ZCAOFGMDUCKLBN-WOPDTQHZSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070583 394874840 /nfs/dbraw/zinc/87/48/40/394874840.db2.gz RDHOTSRTMYVMPX-ZDUSSCGKSA-N 1 0 263.341 2.135 20 5 CEBDRO CC[C@@H](NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423008587 394878713 /nfs/dbraw/zinc/87/87/13/394878713.db2.gz AMFMMDLDCDRQRK-CABCVRRESA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364299482 394892875 /nfs/dbraw/zinc/89/28/75/394892875.db2.gz DINYQICAKGMNDA-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384395 394908056 /nfs/dbraw/zinc/90/80/56/394908056.db2.gz QAHKNPVJAGSHJP-WZRBSPASSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391705 394911140 /nfs/dbraw/zinc/91/11/40/394911140.db2.gz KYQGQSJOZUEGPX-SUNKGSAMSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415477445 394935966 /nfs/dbraw/zinc/93/59/66/394935966.db2.gz BAUYMSRTOPWIMY-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415509677 394940057 /nfs/dbraw/zinc/94/00/57/394940057.db2.gz XCBNKWBILDHTSV-MNOVXSKESA-N 1 0 292.339 2.165 20 5 CEBDRO COCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160525 394941901 /nfs/dbraw/zinc/94/19/01/394941901.db2.gz PUQCTVDIAIVNAG-SNVBAGLBSA-N 1 0 267.329 2.254 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415575619 394945034 /nfs/dbraw/zinc/94/50/34/394945034.db2.gz FKAPXXRELFEDDX-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000415576036 394945083 /nfs/dbraw/zinc/94/50/83/394945083.db2.gz FRCHQHBGROWPNT-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415588189 394945865 /nfs/dbraw/zinc/94/58/65/394945865.db2.gz XJLQYCZXDWDYEM-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO CC[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000286337592 395020802 /nfs/dbraw/zinc/02/08/02/395020802.db2.gz LVECBOAUCFTWKR-SNVBAGLBSA-N 1 0 289.339 2.002 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH2+]C ZINC000415766839 394962023 /nfs/dbraw/zinc/96/20/23/394962023.db2.gz SWWMNKFGFCIHBN-JTQLQIEISA-N 1 0 294.355 2.134 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000423702695 394970096 /nfs/dbraw/zinc/97/00/96/394970096.db2.gz AKBJOEXPRMXHQJ-ZDUSSCGKSA-N 1 0 291.351 2.082 20 5 CEBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000494237211 395102434 /nfs/dbraw/zinc/10/24/34/395102434.db2.gz JNUNXUXWSURLIZ-YMTOWFKASA-N 1 0 298.314 2.400 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399734973 395248238 /nfs/dbraw/zinc/24/82/38/395248238.db2.gz NNMYNTVDZGTPKC-GWCFXTLKSA-N 1 0 279.340 2.461 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(C)CO ZINC000517065507 395187532 /nfs/dbraw/zinc/18/75/32/395187532.db2.gz YWRTUADWYYWZQM-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000420277051 395290162 /nfs/dbraw/zinc/29/01/62/395290162.db2.gz MSCBLWDFVJNKBY-NSHDSACASA-N 1 0 292.364 2.148 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000354091647 395314529 /nfs/dbraw/zinc/31/45/29/395314529.db2.gz LYKPBRLWQCUALQ-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)[NH3+] ZINC000442659965 395389642 /nfs/dbraw/zinc/38/96/42/395389642.db2.gz CHFKNDPBEROIOI-NSHDSACASA-N 1 0 251.330 2.152 20 5 CEBDRO C[NH2+]CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420356211 395342488 /nfs/dbraw/zinc/34/24/88/395342488.db2.gz GDPDGOPXXOFWFC-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000420355529 395342656 /nfs/dbraw/zinc/34/26/56/395342656.db2.gz BYZDODPAWUKGOX-SUNKGSAMSA-N 1 0 263.341 2.071 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000420356799 395344375 /nfs/dbraw/zinc/34/43/75/395344375.db2.gz GMZORDKRQNMWPZ-ZDUSSCGKSA-N 1 0 281.356 2.066 20 5 CEBDRO CCCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298074874 395351382 /nfs/dbraw/zinc/35/13/82/395351382.db2.gz LHGLSGHXRMLRPC-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000191155088 395351515 /nfs/dbraw/zinc/35/15/15/395351515.db2.gz RHJBLMBSIXVSFH-GQCTYLIASA-N 1 0 276.336 2.311 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000420642625 395400211 /nfs/dbraw/zinc/40/02/11/395400211.db2.gz WEPVBWMAWCKPBM-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000566475113 395528812 /nfs/dbraw/zinc/52/88/12/395528812.db2.gz KBBATUSNUFUYLO-CQSZACIVSA-N 1 0 286.335 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000573666329 395613870 /nfs/dbraw/zinc/61/38/70/395613870.db2.gz LTCVUQOXJCQJHE-YBTHPKLGSA-N 1 0 296.392 2.465 20 5 CEBDRO C[NH2+]CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000569220299 395575390 /nfs/dbraw/zinc/57/53/90/395575390.db2.gz YLIKMYXVTMENKG-UHFFFAOYSA-N 1 0 260.297 2.068 20 5 CEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000572826840 395589412 /nfs/dbraw/zinc/58/94/12/395589412.db2.gz FDMYOVZJVSREKO-GHMZBOCLSA-N 1 0 286.335 2.330 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc2[nH]ccc21 ZINC000494047530 395678891 /nfs/dbraw/zinc/67/88/91/395678891.db2.gz IPPHFIPYFSOZJC-UHFFFAOYSA-N 1 0 299.334 2.405 20 5 CEBDRO CO[C@@H]1C[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000331107402 285772016 /nfs/dbraw/zinc/77/20/16/285772016.db2.gz JKDJISQZIWNGIL-ZLKJLUDKSA-N 1 0 280.324 2.001 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135237813 400280776 /nfs/dbraw/zinc/28/07/76/400280776.db2.gz HOULLQTUYDXEGR-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000360093395 155216646 /nfs/dbraw/zinc/21/66/46/155216646.db2.gz LTLSVMXSPAIYAO-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000360527023 155319509 /nfs/dbraw/zinc/31/95/09/155319509.db2.gz IBWPSMBXMNJHJQ-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170828 153294353 /nfs/dbraw/zinc/29/43/53/153294353.db2.gz FFXIKASICOUXJW-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000364984477 292285074 /nfs/dbraw/zinc/28/50/74/292285074.db2.gz ULJXZXUIABBHFL-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938640 153371790 /nfs/dbraw/zinc/37/17/90/153371790.db2.gz JPIDIDMPCWSNEW-VXGBXAGGSA-N 1 0 293.367 2.467 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378823 153392781 /nfs/dbraw/zinc/39/27/81/153392781.db2.gz LHKVGRZPVDITHH-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000230667334 153398913 /nfs/dbraw/zinc/39/89/13/153398913.db2.gz DBBUEVCQWRRIOI-TZMCWYRMSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261736676 153826518 /nfs/dbraw/zinc/82/65/18/153826518.db2.gz LOVROAYAGLXQSC-SMDDNHRTSA-N 1 0 295.770 2.432 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000352669030 154324070 /nfs/dbraw/zinc/32/40/70/154324070.db2.gz WSVGVSAENISKCP-YPMHNXCESA-N 1 0 298.314 2.088 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000168698418 162369880 /nfs/dbraw/zinc/36/98/80/162369880.db2.gz REABOBSADOCRPE-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000400430396 287052029 /nfs/dbraw/zinc/05/20/29/287052029.db2.gz KWSMXZFTVSEVRA-WDMOLILDSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204441 165158350 /nfs/dbraw/zinc/15/83/50/165158350.db2.gz HMOWAMCYOHZLHI-NEPJUHHUSA-N 1 0 266.345 2.302 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000176260171 165160487 /nfs/dbraw/zinc/16/04/87/165160487.db2.gz JWQBYJJZZGAECM-UHFFFAOYSA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000020125470 171007931 /nfs/dbraw/zinc/00/79/31/171007931.db2.gz HFUGZZZUOLMXGX-GFCCVEGCSA-N 1 0 293.367 2.326 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000020146879 171033083 /nfs/dbraw/zinc/03/30/83/171033083.db2.gz ZOBJFSPNUQAMAP-OAHLLOKOSA-N 1 0 294.351 2.270 20 5 CEBDRO CC[NH+](CC)CCCNc1ccncc1[N+](=O)[O-] ZINC000020370319 171167788 /nfs/dbraw/zinc/16/77/88/171167788.db2.gz WBQZIMWULMSBHH-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2(O)CCCC2)c1 ZINC000564848350 298854352 /nfs/dbraw/zinc/85/43/52/298854352.db2.gz CMWINDVTVFZSKX-UHFFFAOYSA-N 1 0 264.325 2.032 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285304322 196245799 /nfs/dbraw/zinc/24/57/99/196245799.db2.gz SFELOFYKWVCVRP-SCVCMEIPSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394041 196271286 /nfs/dbraw/zinc/27/12/86/196271286.db2.gz WVSAKEBNHJSSGC-QMMMGPOBSA-N 1 0 289.282 2.109 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464244 174273255 /nfs/dbraw/zinc/27/32/55/174273255.db2.gz AMQSANDHXDDNSP-CWSCBRNRSA-N 1 0 279.340 2.145 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000040601363 174351601 /nfs/dbraw/zinc/35/16/01/174351601.db2.gz RRXVUVHDJWBVOK-CYBMUJFWSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH3+])C1 ZINC000044527721 175192918 /nfs/dbraw/zinc/19/29/18/175192918.db2.gz AKJHOQJTLMCUTG-VXGBXAGGSA-N 1 0 263.341 2.327 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045072500 175301886 /nfs/dbraw/zinc/30/18/86/175301886.db2.gz DSTKSLAFMMFCDE-NSHDSACASA-N 1 0 279.340 2.162 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071314598 176120774 /nfs/dbraw/zinc/12/07/74/176120774.db2.gz NASGAFJMLYPXHP-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO COCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449063011 261142063 /nfs/dbraw/zinc/14/20/63/261142063.db2.gz LEZHIICUTURXRW-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739420 262384176 /nfs/dbraw/zinc/38/41/76/262384176.db2.gz WCZQJNGEWLJOMD-AXFHLTTASA-N 1 0 296.396 2.218 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425358694 264070217 /nfs/dbraw/zinc/07/02/17/264070217.db2.gz RCCMEWCAEGUCGL-DXTPNHAXSA-N 1 0 299.334 2.216 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000150249954 270236498 /nfs/dbraw/zinc/23/64/98/270236498.db2.gz QIIIZJJMHZVKIQ-GFCCVEGCSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[NH+](CC)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186021931 270247692 /nfs/dbraw/zinc/24/76/92/270247692.db2.gz NDLZGLUPKTUJTQ-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)CC1 ZINC000226378627 270309890 /nfs/dbraw/zinc/30/98/90/270309890.db2.gz CBVSMTYWAKQIKW-UHFFFAOYSA-N 1 0 250.298 2.493 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000393593722 270343435 /nfs/dbraw/zinc/34/34/35/270343435.db2.gz USCPSVWELKWKIA-UHFFFAOYSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000397477636 270354166 /nfs/dbraw/zinc/35/41/66/270354166.db2.gz IQHKQGNZIMSOFZ-UTLUCORTSA-N 1 0 297.380 2.102 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645446 270360461 /nfs/dbraw/zinc/36/04/61/270360461.db2.gz ZGNCQBKINFEHTK-DGCLKSJQSA-N 1 0 264.325 2.045 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420240093 270491875 /nfs/dbraw/zinc/49/18/75/270491875.db2.gz QPXLPHAFTAZNTB-WDEREUQCSA-N 1 0 293.323 2.063 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423952109 270991960 /nfs/dbraw/zinc/99/19/60/270991960.db2.gz ZPBAAKGILRVBGQ-SNVBAGLBSA-N 1 0 297.380 2.212 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000430219850 271362936 /nfs/dbraw/zinc/36/29/36/271362936.db2.gz NZZDXMDQTAKUKU-SMDDNHRTSA-N 1 0 294.351 2.339 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430245047 271367350 /nfs/dbraw/zinc/36/73/50/271367350.db2.gz ZTCGDJZETTWNLE-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000430601416 271397679 /nfs/dbraw/zinc/39/76/79/271397679.db2.gz UCCBBIDKKWPDMG-NSHDSACASA-N 1 0 257.359 2.119 20 5 CEBDRO CCC[N@H+](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431417778 271441190 /nfs/dbraw/zinc/44/11/90/271441190.db2.gz WZQCLAVLMVTPJL-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135237750 274678379 /nfs/dbraw/zinc/67/83/79/274678379.db2.gz HOULLQTUYDXEGR-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000189078444 274705977 /nfs/dbraw/zinc/70/59/77/274705977.db2.gz YVICYMQNKMRARK-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000135741807 274756370 /nfs/dbraw/zinc/75/63/70/274756370.db2.gz HVXXLCWOCMLBDG-GFCCVEGCSA-N 1 0 291.351 2.176 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107596 276026651 /nfs/dbraw/zinc/02/66/51/276026651.db2.gz KXDJSCFDUVNUBQ-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO CC(C)c1ccc(CN(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117357 276052604 /nfs/dbraw/zinc/05/26/04/276052604.db2.gz UKSKXHRBUDKANK-NSHDSACASA-N 1 0 265.357 2.497 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000045691578 276104752 /nfs/dbraw/zinc/10/47/52/276104752.db2.gz DTKMADQDAFQWOB-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000272143826 277178668 /nfs/dbraw/zinc/17/86/68/277178668.db2.gz BWNXGLURUJKNEN-GWCFXTLKSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000235364369 278786842 /nfs/dbraw/zinc/78/68/42/278786842.db2.gz RPWZZLRHZBFHRZ-ZWNOBZJWSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176262809 279017102 /nfs/dbraw/zinc/01/71/02/279017102.db2.gz RIHDYLCUAQGXLZ-GFCCVEGCSA-N 1 0 286.335 2.238 20 5 CEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590223 279116594 /nfs/dbraw/zinc/11/65/94/279116594.db2.gz YXCOFRIPGPNXCO-NXEZZACHSA-N 1 0 282.369 2.114 20 5 CEBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344323867 280119020 /nfs/dbraw/zinc/11/90/20/280119020.db2.gz JVYHUDQVGPBXKK-SMDDNHRTSA-N 1 0 263.341 2.167 20 5 CEBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354006855 280329225 /nfs/dbraw/zinc/32/92/25/280329225.db2.gz OBFHBXMUTXAWQU-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398224733 280689672 /nfs/dbraw/zinc/68/96/72/280689672.db2.gz PKPPRJFLJLOCHJ-JQWIXIFHSA-N 1 0 280.324 2.261 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000420630215 280815722 /nfs/dbraw/zinc/81/57/22/280815722.db2.gz SNLXESFSQWBXDF-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000422632909 280924934 /nfs/dbraw/zinc/92/49/34/280924934.db2.gz NKWPKPRXEUOEBN-NWDGAFQWSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354009192 281016195 /nfs/dbraw/zinc/01/61/95/281016195.db2.gz UPTCKYHRHXNVMP-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367310020 281020050 /nfs/dbraw/zinc/02/00/50/281020050.db2.gz ZXLZUOJOZOFAEP-NEPJUHHUSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccc([C@H](C)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331101 281024465 /nfs/dbraw/zinc/02/44/65/281024465.db2.gz UQXVREGBBHMCQN-GWCFXTLKSA-N 1 0 263.341 2.291 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000433172692 281372456 /nfs/dbraw/zinc/37/24/56/281372456.db2.gz DFHYUMICDIBXRL-CABZTGNLSA-N 1 0 268.288 2.249 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000437785549 281428758 /nfs/dbraw/zinc/42/87/58/281428758.db2.gz MFEIFEZDGUTHEZ-LPZJRDJDSA-N 1 0 287.363 2.434 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850179 281787476 /nfs/dbraw/zinc/78/74/76/281787476.db2.gz WLPHZYAIJUGZTQ-RKDXNWHRSA-N 1 0 260.297 2.217 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCC1)CCC2 ZINC000447541414 281834421 /nfs/dbraw/zinc/83/44/21/281834421.db2.gz MHTORLLSRPFGSV-AWEZNQCLSA-N 1 0 276.336 2.477 20 5 CEBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268515283 281935815 /nfs/dbraw/zinc/93/58/15/281935815.db2.gz TUIOPBWXNWVTDB-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000311596158 289279591 /nfs/dbraw/zinc/27/95/91/289279591.db2.gz BLGMNRFELJDJEM-YPMHNXCESA-N 1 0 261.325 2.091 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459800644 290245621 /nfs/dbraw/zinc/24/56/21/290245621.db2.gz WUUFDWJJYKTKEU-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO COC(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000486926927 290321126 /nfs/dbraw/zinc/32/11/26/290321126.db2.gz PZZSKEQSNWFFHE-XQRVVYSFSA-N 1 0 290.319 2.151 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278911420 293157817 /nfs/dbraw/zinc/15/78/17/293157817.db2.gz ZJOXNVJXMSMLQY-CQDKDKBSSA-N 1 0 294.351 2.439 20 5 CEBDRO COCC1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538549540 298230581 /nfs/dbraw/zinc/23/05/81/298230581.db2.gz GEBYELZGLJWNAL-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CC[C@H](C)C1 ZINC000541775311 298284755 /nfs/dbraw/zinc/28/47/55/298284755.db2.gz HYLUNWDUCRGMQO-LBPRGKRZSA-N 1 0 277.368 2.335 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CC2)c2c(c1)COCO2 ZINC000542525382 298292236 /nfs/dbraw/zinc/29/22/36/298292236.db2.gz ICYSPFSSRUVJRR-UHFFFAOYSA-N 1 0 290.319 2.494 20 5 CEBDRO [NH3+]CC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(F)F ZINC000414991447 303384831 /nfs/dbraw/zinc/38/48/31/303384831.db2.gz PQHYYPHQWGAKLY-USEMIUTHSA-N 1 0 285.294 2.180 20 5 CEBDRO Nc1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000376158545 303496250 /nfs/dbraw/zinc/49/62/50/303496250.db2.gz QCIDLJUQRQPVDT-CYBMUJFWSA-N 1 0 290.367 2.242 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]12 ZINC000573098928 314141111 /nfs/dbraw/zinc/14/11/11/314141111.db2.gz TVNDRCTVLWTCBB-YNEHKIRRSA-N 1 0 298.346 2.317 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCOCC1 ZINC000576416332 314274092 /nfs/dbraw/zinc/27/40/92/314274092.db2.gz OOBPWSWYDGQVRH-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000577384656 314371208 /nfs/dbraw/zinc/37/12/08/314371208.db2.gz FSHMDTLVMLIFLA-CYBMUJFWSA-N 1 0 296.367 2.455 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000580777218 322343427 /nfs/dbraw/zinc/34/34/27/322343427.db2.gz MQKBQQHLVYTNQV-UHFFFAOYSA-N 1 0 298.726 2.434 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176247853 533756240 /nfs/dbraw/zinc/75/62/40/533756240.db2.gz ABIWYEGHDHUWIP-AGIUHOORSA-N 1 0 278.356 2.444 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412093955 533805424 /nfs/dbraw/zinc/80/54/24/533805424.db2.gz SAPDEDVMLOIXFX-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC000451275262 517547000 /nfs/dbraw/zinc/54/70/00/517547000.db2.gz LTGJGSMYJRSQBR-UHFFFAOYSA-N 1 0 252.318 2.141 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678542 519814084 /nfs/dbraw/zinc/81/40/84/519814084.db2.gz IBKFBTHELMSQAJ-GWCFXTLKSA-N 1 0 281.356 2.235 20 5 CEBDRO CCCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374526 520433484 /nfs/dbraw/zinc/43/34/84/520433484.db2.gz BBFJGUNUYAIYPW-AWEZNQCLSA-N 1 0 291.351 2.432 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063169169 522040488 /nfs/dbraw/zinc/04/04/88/522040488.db2.gz OYKVKWLAGWRNDY-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000068449951 523915020 /nfs/dbraw/zinc/91/50/20/523915020.db2.gz KBKOYQCWYIWUOB-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO COc1ccc(CN[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049557787 524074279 /nfs/dbraw/zinc/07/42/79/524074279.db2.gz QLFXGLDIPRVGLM-NSHDSACASA-N 1 0 281.356 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CCCC2)cc1 ZINC000053069480 527347564 /nfs/dbraw/zinc/34/75/64/527347564.db2.gz HCXVMYFCLWNMPE-UHFFFAOYSA-N 1 0 264.325 2.032 20 5 CEBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000412080600 528945521 /nfs/dbraw/zinc/94/55/21/528945521.db2.gz NTOCZZTVDZZVDH-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192559228 529344009 /nfs/dbraw/zinc/34/40/09/529344009.db2.gz CMWWFRRDAMCETR-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000413056112 529373885 /nfs/dbraw/zinc/37/38/85/529373885.db2.gz TYFOASQTRORXND-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000113541750 534932765 /nfs/dbraw/zinc/93/27/65/534932765.db2.gz DOCSDTSBGBCSHD-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048140 575147520 /nfs/dbraw/zinc/14/75/20/575147520.db2.gz WOJGZJRYJJAEBJ-RNCFNFMXSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(N)[nH+]1 ZINC000746712044 575163324 /nfs/dbraw/zinc/16/33/24/575163324.db2.gz CLRXVTDKGIYJTM-UHFFFAOYSA-N 1 0 299.334 2.444 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000747387407 575170054 /nfs/dbraw/zinc/17/00/54/575170054.db2.gz WONKMUAHDPEWLS-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000747958732 575177088 /nfs/dbraw/zinc/17/70/88/575177088.db2.gz BDLQNYKXOIIQLR-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO C[N@@H+](Cc1ccoc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749686179 575229385 /nfs/dbraw/zinc/22/93/85/575229385.db2.gz FWHDLRRZGHWVQA-CQSZACIVSA-N 1 0 276.292 2.353 20 5 CEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000750041105 575244661 /nfs/dbraw/zinc/24/46/61/575244661.db2.gz RLODYRNMEOBTSI-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(=O)N1CCC(C)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000939894780 613803150 /nfs/dbraw/zinc/80/31/50/613803150.db2.gz TVAXGBPYGAWWEV-UHFFFAOYSA-N 1 0 297.380 2.147 20 5 CEBDRO [NH3+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261768567 623377936 /nfs/dbraw/zinc/37/79/36/623377936.db2.gz DNUQQHUNTYUYJY-LLVKDONJSA-N 1 0 283.759 2.419 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050370378 623402447 /nfs/dbraw/zinc/40/24/47/623402447.db2.gz XJESGZXGRURKNP-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167390333 625654380 /nfs/dbraw/zinc/65/43/80/625654380.db2.gz CJOSWOPRTWAYTJ-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)CC2CC2)c1[N+](=O)[O-] ZINC000891736366 623933610 /nfs/dbraw/zinc/93/36/10/623933610.db2.gz MAHANSPRKAVEBS-UHFFFAOYSA-N 1 0 266.297 2.151 20 5 CEBDRO CCCCC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000934200655 624316305 /nfs/dbraw/zinc/31/63/05/624316305.db2.gz LYTZLFQLMRHLBH-UHFFFAOYSA-N 1 0 266.345 2.412 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000044492207 624886745 /nfs/dbraw/zinc/88/67/45/624886745.db2.gz PCSBYBNDDJNAGX-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO Cc1c(C[NH2+]C2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000235813613 625755278 /nfs/dbraw/zinc/75/52/78/625755278.db2.gz GZBVSIYIORXUJB-UHFFFAOYSA-N 1 0 280.324 2.144 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000902444402 634661542 /nfs/dbraw/zinc/66/15/42/634661542.db2.gz HGTOWKSVDPDYLP-GWCFXTLKSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732937 628687245 /nfs/dbraw/zinc/68/72/45/628687245.db2.gz HGKLVLHFYLOSEL-ZIAGYGMSSA-N 1 0 275.352 2.263 20 5 CEBDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000931590599 628706004 /nfs/dbraw/zinc/70/60/04/628706004.db2.gz CRPLTSBICGGOHD-NSHDSACASA-N 1 0 298.412 2.255 20 5 CEBDRO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779469 628804355 /nfs/dbraw/zinc/80/43/55/628804355.db2.gz ODEDBVSHLTXSPL-CMPLNLGQSA-N 1 0 299.321 2.490 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]cc1CO ZINC000893717560 628979727 /nfs/dbraw/zinc/97/97/27/628979727.db2.gz UAZCLRJGJWZGIA-UHFFFAOYSA-N 1 0 287.319 2.161 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941112 629055850 /nfs/dbraw/zinc/05/58/50/629055850.db2.gz QTLGBMLPDRNZNX-RNCFNFMXSA-N 1 0 281.743 2.389 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261941890 629362545 /nfs/dbraw/zinc/36/25/45/629362545.db2.gz DVGQKRZNZGVIPG-AWEZNQCLSA-N 1 0 295.770 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000821507521 634744252 /nfs/dbraw/zinc/74/42/52/634744252.db2.gz CDIURJMYLXRCFI-JTQLQIEISA-N 1 0 294.355 2.222 20 5 CEBDRO CC(C)C1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000795546803 629603258 /nfs/dbraw/zinc/60/32/58/629603258.db2.gz OPHZQIMTSYDRLD-AWEZNQCLSA-N 1 0 264.325 2.216 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CC[NH+](C)C)C1 ZINC000895330246 630119221 /nfs/dbraw/zinc/11/92/21/630119221.db2.gz PCVSMUGDWPEVGF-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1OC ZINC000797422343 630233173 /nfs/dbraw/zinc/23/31/73/630233173.db2.gz VWEHSRQRKRBYSK-UHFFFAOYSA-N 1 0 253.258 2.012 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1C ZINC000895886233 630385571 /nfs/dbraw/zinc/38/55/71/630385571.db2.gz BMOIPBQHXZWKHO-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000896415491 630558741 /nfs/dbraw/zinc/55/87/41/630558741.db2.gz NDFIOSQFPSKDGM-CABCVRRESA-N 1 0 292.335 2.370 20 5 CEBDRO Cc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])s1 ZINC000896913906 630797907 /nfs/dbraw/zinc/79/79/07/630797907.db2.gz YALKIXHVKLJFIR-MFKMUULPSA-N 1 0 281.381 2.353 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000798821695 630934909 /nfs/dbraw/zinc/93/49/09/630934909.db2.gz KCWJSFKGWDFEGJ-CYBMUJFWSA-N 1 0 298.314 2.363 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151951 631091817 /nfs/dbraw/zinc/09/18/17/631091817.db2.gz FWLBHTOMPIZWHM-CMPLNLGQSA-N 1 0 287.323 2.024 20 5 CEBDRO Cc1c(C[NH2+]C(C)(C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000145034679 631167661 /nfs/dbraw/zinc/16/76/61/631167661.db2.gz PDVTTYOBMZNQBR-SNVBAGLBSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](C[NH2+]C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897466332 631532776 /nfs/dbraw/zinc/53/27/76/631532776.db2.gz RNQCUJPOVWQGNA-LLVKDONJSA-N 1 0 264.325 2.467 20 5 CEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000804329771 631664373 /nfs/dbraw/zinc/66/43/73/631664373.db2.gz VZMNFCWQKFBBSO-UHFFFAOYSA-N 1 0 280.284 2.011 20 5 CEBDRO CC(C)[N@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804407415 631679243 /nfs/dbraw/zinc/67/92/43/631679243.db2.gz VHGZDJZMBGCMQV-UHFFFAOYSA-N 1 0 282.300 2.255 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804430090 631681452 /nfs/dbraw/zinc/68/14/52/631681452.db2.gz UROGXGRMZSECRQ-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC(O)C2 ZINC000897849381 631944311 /nfs/dbraw/zinc/94/43/11/631944311.db2.gz XDNDNVNWJHKIAL-GUTOVOEQSA-N 1 0 290.363 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898206597 632086972 /nfs/dbraw/zinc/08/69/72/632086972.db2.gz QULDUBLIHCNOBM-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cs1 ZINC000809735048 632134773 /nfs/dbraw/zinc/13/47/73/632134773.db2.gz WDJVVABTMBRJJV-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000041678168 632443444 /nfs/dbraw/zinc/44/34/44/632443444.db2.gz FABLRRRAMAJMTO-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084000 632451170 /nfs/dbraw/zinc/45/11/70/632451170.db2.gz JTSNQKFVAJBMJF-CHWSQXEVSA-N 1 0 294.351 2.359 20 5 CEBDRO CC1(C)[C@@H](O)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000812865835 632596020 /nfs/dbraw/zinc/59/60/20/632596020.db2.gz UABVDMUGXCZEHS-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H](COC(=O)c1cccc(C[NH+]2CCCC2)c1)[N+](=O)[O-] ZINC000813107203 632624910 /nfs/dbraw/zinc/62/49/10/632624910.db2.gz MOIVHYSMTQNLMI-GFCCVEGCSA-N 1 0 292.335 2.104 20 5 CEBDRO Cc1nn(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000899630512 632926270 /nfs/dbraw/zinc/92/62/70/632926270.db2.gz VLBBLECLRIMJKM-YOGCLGLASA-N 1 0 264.329 2.020 20 5 CEBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N+](=O)[O-] ZINC000899871720 633064574 /nfs/dbraw/zinc/06/45/74/633064574.db2.gz TVUKXYGBGOPKLY-SECBINFHSA-N 1 0 287.157 2.246 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000899865554 633066605 /nfs/dbraw/zinc/06/66/05/633066605.db2.gz HYXZJSZWHRIXGS-UHFFFAOYSA-N 1 0 297.786 2.171 20 5 CEBDRO CC1CC[NH+]([C@@H](CNCC[N+](=O)[O-])c2ccccc2)CC1 ZINC000899873781 633066839 /nfs/dbraw/zinc/06/68/39/633066839.db2.gz UMMLAMHBDAUOND-INIZCTEOSA-N 1 0 291.395 2.326 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000900653331 633793972 /nfs/dbraw/zinc/79/39/72/633793972.db2.gz LUEUHCNBRDUSOQ-JTNHKYCSSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000818554748 633944558 /nfs/dbraw/zinc/94/45/58/633944558.db2.gz GACKQZNCJZQRME-NSHDSACASA-N 1 0 297.330 2.146 20 5 CEBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000818620141 633963762 /nfs/dbraw/zinc/96/37/62/633963762.db2.gz SORGMURHAIFKRD-UHFFFAOYSA-N 1 0 282.340 2.375 20 5 CEBDRO Cc1cccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018363 634041701 /nfs/dbraw/zinc/04/17/01/634041701.db2.gz VXEJMFGQBLOYIU-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc([C@H]3CCC[NH2+]C3)on2)o1 ZINC000901398927 634091061 /nfs/dbraw/zinc/09/10/61/634091061.db2.gz NVEJQUIMAHZEGT-QMMMGPOBSA-N 1 0 263.253 2.310 20 5 CEBDRO Cc1cncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819195162 634100940 /nfs/dbraw/zinc/10/09/40/634100940.db2.gz XRRWUSLRUWCTGK-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000819271112 634122862 /nfs/dbraw/zinc/12/28/62/634122862.db2.gz NTCWZKLGBVFCTO-CRWXNKLISA-N 1 0 262.309 2.016 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819313196 634135398 /nfs/dbraw/zinc/13/53/98/634135398.db2.gz ZQJXCCBAGNDYPH-WQAKAFBOSA-N 1 0 250.298 2.016 20 5 CEBDRO CC[C@@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819343943 634147486 /nfs/dbraw/zinc/14/74/86/634147486.db2.gz DIBJXMXPJDKDFR-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000822518828 634935567 /nfs/dbraw/zinc/93/55/67/634935567.db2.gz XUODTAHTAFQNTL-OLZOCXBDSA-N 1 0 299.415 2.059 20 5 CEBDRO COCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056439 634948361 /nfs/dbraw/zinc/94/83/61/634948361.db2.gz UWPURTJDHKDBAV-SNVBAGLBSA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903182972 635001603 /nfs/dbraw/zinc/00/16/03/635001603.db2.gz JEXGZUSSMZZGFI-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000903169735 635003950 /nfs/dbraw/zinc/00/39/50/635003950.db2.gz DIQXQOOVWZCUBR-QWRGUYRKSA-N 1 0 281.356 2.204 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000903300422 635047062 /nfs/dbraw/zinc/04/70/62/635047062.db2.gz HXULAUJFWZTABW-DDTOSNHZSA-N 1 0 275.352 2.264 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000903321390 635054470 /nfs/dbraw/zinc/05/44/70/635054470.db2.gz DEMGVSABVVCHIC-NEPJUHHUSA-N 1 0 263.341 2.258 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069621 635059606 /nfs/dbraw/zinc/05/96/06/635059606.db2.gz QXFLYSHGDFUQLP-NTSWFWBYSA-N 1 0 268.298 2.157 20 5 CEBDRO C[C@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903327846 635076727 /nfs/dbraw/zinc/07/67/27/635076727.db2.gz AACUGODUYVDIAJ-ZBOXLXRLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823180149 635088491 /nfs/dbraw/zinc/08/84/91/635088491.db2.gz IPAFNKAAKLMXRL-CHWSQXEVSA-N 1 0 299.415 2.201 20 5 CEBDRO CC(C)[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@@H](C)[NH3+] ZINC000823236152 635107907 /nfs/dbraw/zinc/10/79/07/635107907.db2.gz ZEKJLRGXELLNJL-MWLCHTKSSA-N 1 0 284.360 2.144 20 5 CEBDRO CC(C)[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@H](C)[NH3+] ZINC000823236149 635108607 /nfs/dbraw/zinc/10/86/07/635108607.db2.gz ZEKJLRGXELLNJL-GXSJLCMTSA-N 1 0 284.360 2.144 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000904088109 635445485 /nfs/dbraw/zinc/44/54/85/635445485.db2.gz MMYVUQSPKFSAOK-UHFFFAOYSA-N 1 0 290.323 2.495 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)cn1 ZINC000904798631 635739037 /nfs/dbraw/zinc/73/90/37/635739037.db2.gz IKTYDMQCLCDSSU-INIZCTEOSA-N 1 0 299.330 2.228 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000905083306 635798261 /nfs/dbraw/zinc/79/82/61/635798261.db2.gz VRIARIDGPGABBV-MWLCHTKSSA-N 1 0 274.242 2.428 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1ccccc1C(F)(F)F ZINC000905061767 635806767 /nfs/dbraw/zinc/80/67/67/635806767.db2.gz IUARPOWYDDGYHP-UHFFFAOYSA-N 1 0 262.231 2.114 20 5 CEBDRO CC(C)COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905098647 635815782 /nfs/dbraw/zinc/81/57/82/635815782.db2.gz URXBDFIIVVGYCA-UHFFFAOYSA-N 1 0 266.341 2.130 20 5 CEBDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905156235 635832398 /nfs/dbraw/zinc/83/23/98/635832398.db2.gz XZNCJBXUOGMLDC-NOZJJQNGSA-N 1 0 252.289 2.315 20 5 CEBDRO CCC(CC)(C[NH2+]CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905291695 636193670 /nfs/dbraw/zinc/19/36/70/636193670.db2.gz QZCYOWBTSOSZKB-UHFFFAOYSA-N 1 0 274.361 2.001 20 5 CEBDRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]CC[N+](=O)[O-] ZINC000905292839 636194656 /nfs/dbraw/zinc/19/46/56/636194656.db2.gz RTCIVAPCKMDCRH-JTQLQIEISA-N 1 0 279.315 2.115 20 5 CEBDRO C[NH2+]CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000905296949 636196979 /nfs/dbraw/zinc/19/69/79/636196979.db2.gz SQFXXSWQVHZCLD-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642016 636378495 /nfs/dbraw/zinc/37/84/95/636378495.db2.gz GBAVBDHNKGLDMD-OLZOCXBDSA-N 1 0 296.367 2.074 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCC([NH3+])CC1 ZINC000876516505 650299157 /nfs/dbraw/zinc/29/91/57/650299157.db2.gz AXKJDHNAOBPTKW-UHFFFAOYSA-N 1 0 291.351 2.211 20 5 CEBDRO CC(C)(CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCCC1 ZINC000830344587 637043567 /nfs/dbraw/zinc/04/35/67/637043567.db2.gz WWVJFRVQECYGJW-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO CCCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000149423763 637066896 /nfs/dbraw/zinc/06/68/96/637066896.db2.gz NOFRTYZAMXQCGS-SNVBAGLBSA-N 1 0 284.747 2.222 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149442831 637092041 /nfs/dbraw/zinc/09/20/41/637092041.db2.gz CFFNLEMAWIHVNS-VXNVDRBHSA-N 1 0 270.720 2.183 20 5 CEBDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000876545406 650316091 /nfs/dbraw/zinc/31/60/91/650316091.db2.gz LNUFKTMUSAJNNJ-NAGRZINJSA-N 1 0 289.335 2.253 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910296785 638000115 /nfs/dbraw/zinc/00/01/15/638000115.db2.gz QPGTYEJRHRKVIB-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc(NC(=O)C2=CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000911906390 638473417 /nfs/dbraw/zinc/47/34/17/638473417.db2.gz DDBAYVQALBOQQP-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1 ZINC000876795388 650435903 /nfs/dbraw/zinc/43/59/03/650435903.db2.gz OVCVNZATGFGNFQ-UHFFFAOYSA-N 1 0 299.330 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000876797464 650436510 /nfs/dbraw/zinc/43/65/10/650436510.db2.gz VCUAXOYZWFHRGM-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829746 650449645 /nfs/dbraw/zinc/44/96/45/650449645.db2.gz XSNVWSKUIVTIJS-RYUDHWBXSA-N 1 0 291.351 2.211 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000102885731 639357332 /nfs/dbraw/zinc/35/73/32/639357332.db2.gz TYDUWEFFFXUOED-GFCCVEGCSA-N 1 0 250.302 2.013 20 5 CEBDRO [NH3+][C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841011764 639617464 /nfs/dbraw/zinc/61/74/64/639617464.db2.gz VGDYYHAHRKIZFT-SNVBAGLBSA-N 1 0 298.730 2.107 20 5 CEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841011413 639617586 /nfs/dbraw/zinc/61/75/86/639617586.db2.gz QDUHOSMYVQFSNL-MRVPVSSYSA-N 1 0 298.730 2.061 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC2CC[NH2+]CC2)cc1Cl ZINC000841030752 639622622 /nfs/dbraw/zinc/62/26/22/639622622.db2.gz UUJHLWLIFWFHLD-UHFFFAOYSA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000876978314 650516211 /nfs/dbraw/zinc/51/62/11/650516211.db2.gz JNDOHGXFPJQPAS-HNNXBMFYSA-N 1 0 291.351 2.074 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104532 639676302 /nfs/dbraw/zinc/67/63/02/639676302.db2.gz YBQKRQJXQHMYOF-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO C[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172896701 639821250 /nfs/dbraw/zinc/82/12/50/639821250.db2.gz XMVOXWZQPCJKHN-UHFFFAOYSA-N 1 0 287.323 2.153 20 5 CEBDRO CC[C@@]1(C)CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173425361 639855054 /nfs/dbraw/zinc/85/50/54/639855054.db2.gz IEDYPCSVDQJHKZ-LBPRGKRZSA-N 1 0 252.318 2.261 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843074669 640269446 /nfs/dbraw/zinc/26/94/46/640269446.db2.gz HPVKVSZPMMDMNH-NJZAAPMLSA-N 1 0 296.367 2.015 20 5 CEBDRO CNc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843148306 640307539 /nfs/dbraw/zinc/30/75/39/640307539.db2.gz PHWKIPLJWQBHNS-NSHDSACASA-N 1 0 291.311 2.342 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000843191048 640342288 /nfs/dbraw/zinc/34/22/88/640342288.db2.gz AWZSMTDDABIPFN-SECBINFHSA-N 1 0 290.323 2.200 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000914566299 640436269 /nfs/dbraw/zinc/43/62/69/640436269.db2.gz WJXYUMWCBGHNLV-AWEZNQCLSA-N 1 0 286.335 2.456 20 5 CEBDRO Cc1c(CC(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000843512494 640447434 /nfs/dbraw/zinc/44/74/34/640447434.db2.gz NOAWHGQLEUYQQI-UHFFFAOYSA-N 1 0 293.367 2.081 20 5 CEBDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000184417068 641860975 /nfs/dbraw/zinc/86/09/75/641860975.db2.gz NHBPRSYAVNIWFG-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO CSCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194674748 641915980 /nfs/dbraw/zinc/91/59/80/641915980.db2.gz BRNMIVQRPPIGSA-UHFFFAOYSA-N 1 0 281.381 2.080 20 5 CEBDRO C[C@H]1CCCN(C(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000849001438 642219279 /nfs/dbraw/zinc/21/92/79/642219279.db2.gz CHUHMJVNXCWVLZ-LBPRGKRZSA-N 1 0 290.367 2.394 20 5 CEBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccccn1 ZINC000849088653 642261579 /nfs/dbraw/zinc/26/15/79/642261579.db2.gz RJQVOCKQVJAVIO-UHFFFAOYSA-N 1 0 285.307 2.169 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnn(CCF)c2)c1 ZINC000921939764 642797770 /nfs/dbraw/zinc/79/77/70/642797770.db2.gz GSBQHHPXLKCNEG-UHFFFAOYSA-N 1 0 292.314 2.093 20 5 CEBDRO CN(C)c1cc[nH+]c(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000922480829 643083009 /nfs/dbraw/zinc/08/30/09/643083009.db2.gz NYKBAGGFNITZCP-UHFFFAOYSA-N 1 0 286.335 2.346 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851927144 643228145 /nfs/dbraw/zinc/22/81/45/643228145.db2.gz GKAORQOZWSYVHK-LBPRGKRZSA-N 1 0 296.298 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000877634923 650825853 /nfs/dbraw/zinc/82/58/53/650825853.db2.gz VHAUFKPHIJBPSR-UHFFFAOYSA-N 1 0 293.392 2.269 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1COC(C)(C)O1 ZINC000852018152 643267145 /nfs/dbraw/zinc/26/71/45/643267145.db2.gz JDHDFLTVLXYXPR-CQSZACIVSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC2(COC2)C1 ZINC000877639106 650829457 /nfs/dbraw/zinc/82/94/57/650829457.db2.gz VDTKTAJLSDPZIZ-UHFFFAOYSA-N 1 0 276.336 2.434 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494682 643314403 /nfs/dbraw/zinc/31/44/03/643314403.db2.gz DKHRMCPAQXRAPI-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852558762 643471388 /nfs/dbraw/zinc/47/13/88/643471388.db2.gz MLXSDSSWTNNVSW-JOYOIKCWSA-N 1 0 268.288 2.079 20 5 CEBDRO COC(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852571935 643478070 /nfs/dbraw/zinc/47/80/70/643478070.db2.gz JHBISWUNRGLDBZ-LLVKDONJSA-N 1 0 295.339 2.286 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246245 643721190 /nfs/dbraw/zinc/72/11/90/643721190.db2.gz IUTAVOSXMGBAPG-UHFFFAOYSA-N 1 0 281.743 2.090 20 5 CEBDRO COc1cc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853474138 643782145 /nfs/dbraw/zinc/78/21/45/643782145.db2.gz HCSWXNPYXYQRDB-LBPRGKRZSA-N 1 0 293.367 2.300 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858578819 645208027 /nfs/dbraw/zinc/20/80/27/645208027.db2.gz MITXJCNHLIGHQS-GXFFZTMASA-N 1 0 295.339 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761080666 645233860 /nfs/dbraw/zinc/23/38/60/645233860.db2.gz DYLUJPGGTZGPMJ-SMDDNHRTSA-N 1 0 289.335 2.326 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763383144 645540006 /nfs/dbraw/zinc/54/00/06/645540006.db2.gz YSGWTFVTDALPEA-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182147 646814923 /nfs/dbraw/zinc/81/49/23/646814923.db2.gz JAZBICRXFLHNST-VBKZILBWSA-N 1 0 296.392 2.330 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000774537473 646859872 /nfs/dbraw/zinc/85/98/72/646859872.db2.gz UBIGBLZTJAEWFE-UONOGXRCSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000864462734 647017233 /nfs/dbraw/zinc/01/72/33/647017233.db2.gz OIKXCQWONTVMNH-KWQFWETISA-N 1 0 296.758 2.313 20 5 CEBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776581752 647073434 /nfs/dbraw/zinc/07/34/34/647073434.db2.gz LQSCDFRQKPYJJT-ZWNOBZJWSA-N 1 0 282.365 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C3CCC2CC3)cc1 ZINC000776579254 647073931 /nfs/dbraw/zinc/07/39/31/647073931.db2.gz KUOATKQKYDUEFQ-ORHYLEIMSA-N 1 0 262.309 2.255 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000776600661 647077553 /nfs/dbraw/zinc/07/75/53/647077553.db2.gz CSQPGXNHKMBWNZ-ZYHUDNBSSA-N 1 0 286.278 2.215 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866209866 647673439 /nfs/dbraw/zinc/67/34/39/647673439.db2.gz WSXZDTGKTKPTAZ-NEPJUHHUSA-N 1 0 291.351 2.134 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000866209886 647674130 /nfs/dbraw/zinc/67/41/30/647674130.db2.gz WYLICZDVAWUQFJ-ONGXEEELSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCO ZINC000866269469 647708134 /nfs/dbraw/zinc/70/81/34/647708134.db2.gz VDLHEOHPVQSSGC-VHSXEESVSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000866369617 647760518 /nfs/dbraw/zinc/76/05/18/647760518.db2.gz NCZVOPIMTYCTQF-ITDIGPHOSA-N 1 0 296.342 2.416 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000930276543 647854106 /nfs/dbraw/zinc/85/41/06/647854106.db2.gz PUJLMQAOZNACBM-AWEZNQCLSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1ccc(CN[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000866660406 647859265 /nfs/dbraw/zinc/85/92/65/647859265.db2.gz FDYLOTZTEMZVIH-CQSZACIVSA-N 1 0 263.341 2.120 20 5 CEBDRO Cc1ccc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000866666972 647861854 /nfs/dbraw/zinc/86/18/54/647861854.db2.gz YDPMMBYXLKGNNV-YWPYICTPSA-N 1 0 277.368 2.379 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717525 647880469 /nfs/dbraw/zinc/88/04/69/647880469.db2.gz HIGYTGXTARTYJR-HUUCEWRRSA-N 1 0 289.379 2.477 20 5 CEBDRO CC[C@H](C)CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984679 648010849 /nfs/dbraw/zinc/01/08/49/648010849.db2.gz QZOZLHNPSTWGBG-NHYWBVRUSA-N 1 0 293.367 2.321 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788753422 648220309 /nfs/dbraw/zinc/22/03/09/648220309.db2.gz KMGKLXJAFCADTP-NSHDSACASA-N 1 0 293.367 2.380 20 5 CEBDRO CC[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122770061 648604004 /nfs/dbraw/zinc/60/40/04/648604004.db2.gz SMEGENMAKAXBQO-MFKMUULPSA-N 1 0 281.331 2.293 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@H+](CC1CC1)CC1CCC1 ZINC000794710039 648905141 /nfs/dbraw/zinc/90/51/41/648905141.db2.gz IIZCUURWWRHIPM-UHFFFAOYSA-N 1 0 264.329 2.261 20 5 CEBDRO COCC(C)(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872243788 649326610 /nfs/dbraw/zinc/32/66/10/649326610.db2.gz WJUOHRJUQQMXKV-CQSZACIVSA-N 1 0 296.367 2.281 20 5 CEBDRO Cc1c(C[NH2+]CCOc2cccnc2)cccc1[N+](=O)[O-] ZINC000873050778 649543868 /nfs/dbraw/zinc/54/38/68/649543868.db2.gz SHHOLPWFDKNNJM-UHFFFAOYSA-N 1 0 287.319 2.467 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000873297233 649632385 /nfs/dbraw/zinc/63/23/85/649632385.db2.gz UTCWBKZOZLFFBF-XQQFMLRXSA-N 1 0 293.367 2.012 20 5 CEBDRO C=C/C=C\CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878696073 651166982 /nfs/dbraw/zinc/16/69/82/651166982.db2.gz UANNRTXHQXADEU-ARJAWSKDSA-N 1 0 288.351 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH2+]C(C)(C)C ZINC000878918154 651210274 /nfs/dbraw/zinc/21/02/74/651210274.db2.gz HOQLXOBYQVIPMP-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2cc[nH]c2c1 ZINC000879725200 651343737 /nfs/dbraw/zinc/34/37/37/651343737.db2.gz WAGQZZQJIXPKIX-UHFFFAOYSA-N 1 0 299.334 2.405 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccccc1[N+](=O)[O-] ZINC000880128960 651386829 /nfs/dbraw/zinc/38/68/29/651386829.db2.gz AQZBLFQICSMAEG-CABCVRRESA-N 1 0 275.352 2.263 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880292237 651416176 /nfs/dbraw/zinc/41/61/76/651416176.db2.gz VYTFJZFVVNQVRP-JTQLQIEISA-N 1 0 268.288 2.395 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435854 651440386 /nfs/dbraw/zinc/44/03/86/651440386.db2.gz WASZQTVTPKIMPR-DZGCQCFKSA-N 1 0 294.351 2.139 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881746979 651872049 /nfs/dbraw/zinc/87/20/49/651872049.db2.gz MZYMWDFRRCFBNH-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NCC[NH+]1CCCCC1 ZINC000881809250 651889628 /nfs/dbraw/zinc/88/96/28/651889628.db2.gz HXPLZKUNEBLQJG-UHFFFAOYSA-N 1 0 268.292 2.027 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000882018234 651939580 /nfs/dbraw/zinc/93/95/80/651939580.db2.gz RZYYJOFTWPBASY-IUCAKERBSA-N 1 0 268.292 2.024 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000882962923 652293414 /nfs/dbraw/zinc/29/34/14/652293414.db2.gz ITWSDNIIXVOIQJ-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132280306 652509896 /nfs/dbraw/zinc/50/98/96/652509896.db2.gz JLOTWDDOMOUWNZ-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884043022 652653536 /nfs/dbraw/zinc/65/35/36/652653536.db2.gz MXCQEVJTRWRZDW-LBPRGKRZSA-N 1 0 293.367 2.459 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000800159952 652667193 /nfs/dbraw/zinc/66/71/93/652667193.db2.gz FUORGQOKYGWVSH-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000884070804 652694933 /nfs/dbraw/zinc/69/49/33/652694933.db2.gz YLAOHLOTKMPMBE-CYBMUJFWSA-N 1 0 293.367 2.221 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C)(C[NH3+])C2)c1C ZINC000884279538 652778026 /nfs/dbraw/zinc/77/80/26/652778026.db2.gz NKYZWOMTAVMSBR-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000134612042 652862451 /nfs/dbraw/zinc/86/24/51/652862451.db2.gz GZSWESYGJSYKBP-SNVBAGLBSA-N 1 0 288.307 2.187 20 5 CEBDRO Cc1ccnc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265146284 721932173 /nfs/dbraw/zinc/93/21/73/721932173.db2.gz AEGDTKWVVXPBFE-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO COCCc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227194179 805879366 /nfs/dbraw/zinc/87/93/66/805879366.db2.gz FXJMAECZIYQZMT-ZDUSSCGKSA-N 1 0 252.378 2.349 20 5 CEBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]CC[C@H]2F)ccc2cnccc21 ZINC001168226358 806422111 /nfs/dbraw/zinc/42/21/11/806422111.db2.gz FRJBXGQULMMMED-YPMHNXCESA-N 1 0 290.298 2.255 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])c(C)c2C)c1C ZINC001167099204 802475425 /nfs/dbraw/zinc/47/54/25/802475425.db2.gz OMKMBXYNRCOGQV-UHFFFAOYSA-N 1 0 289.339 2.129 20 5 CEBDRO CN(c1ccc(F)c([N+](=O)[O-])c1)c1cc(N)cc[nH+]1 ZINC001211192666 802787160 /nfs/dbraw/zinc/78/71/60/802787160.db2.gz HFDRRVGJWNSBDU-UHFFFAOYSA-N 1 0 262.244 2.479 20 5 CEBDRO C/C=C(\C)C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266671523 802829035 /nfs/dbraw/zinc/82/90/35/802829035.db2.gz SJPAFTQCLHZBMW-UUILKARUSA-N 1 0 291.351 2.109 20 5 CEBDRO Cc1cc(Cl)c(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167693205 803545426 /nfs/dbraw/zinc/54/54/26/803545426.db2.gz CAOVDRRIVVNHML-UHFFFAOYSA-N 1 0 292.726 2.285 20 5 CEBDRO Cc1cc(C)c(-n2ccc(CC[NH3+])n2)c(C)c1[N+](=O)[O-] ZINC001167730323 803691287 /nfs/dbraw/zinc/69/12/87/803691287.db2.gz GEPGKODZNYUBSI-UHFFFAOYSA-N 1 0 274.324 2.207 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(NC(=N)SCC[NH3+])c1F ZINC001167911990 804693856 /nfs/dbraw/zinc/69/38/56/804693856.db2.gz IOBYVEUXFOEVRC-UHFFFAOYSA-N 1 0 272.305 2.081 20 5 CEBDRO N=C(Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167915622 804716722 /nfs/dbraw/zinc/71/67/22/804716722.db2.gz VVZWBNRKXUMGBL-UHFFFAOYSA-N 1 0 279.325 2.115 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787753 805417408 /nfs/dbraw/zinc/41/74/08/805417408.db2.gz JCIUKGQLPYXKRZ-NSHDSACASA-N 1 0 282.315 2.327 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000698226464 807057407 /nfs/dbraw/zinc/05/74/07/807057407.db2.gz IGGMOZDSYGFDQD-JTQLQIEISA-N 1 0 295.236 2.055 20 5 CEBDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567945 807247597 /nfs/dbraw/zinc/24/75/97/807247597.db2.gz DKEGLAPJSYVXRA-PRHODGIISA-N 1 0 274.267 2.262 20 5 CEBDRO CC/C=C(/C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124345429 808176740 /nfs/dbraw/zinc/17/67/40/808176740.db2.gz WFZLKGCVNPFOHS-SDQBBNPISA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700626499 809333425 /nfs/dbraw/zinc/33/34/25/809333425.db2.gz YFEITMFQRGFZKG-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000700626556 809333448 /nfs/dbraw/zinc/33/34/48/809333448.db2.gz ZPJHDAVRVMWWGV-GZMMTYOYSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000700625901 809333857 /nfs/dbraw/zinc/33/38/57/809333857.db2.gz KPDBIDKFABHIEG-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO CC1(O)CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000702985938 809605576 /nfs/dbraw/zinc/60/55/76/809605576.db2.gz ZMOVLGHMIYTYMF-UHFFFAOYSA-N 1 0 264.325 2.378 20 5 CEBDRO COC[C@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)OC ZINC000710689550 809989294 /nfs/dbraw/zinc/98/92/94/809989294.db2.gz PJJYEYBPAIDGQA-ZDUSSCGKSA-N 1 0 282.340 2.044 20 5 CEBDRO COC(C)(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000711889305 810104615 /nfs/dbraw/zinc/10/46/15/810104615.db2.gz ZWKBITVHULYNAI-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511433 815420573 /nfs/dbraw/zinc/42/05/73/815420573.db2.gz PPFIQIVKMIEAGQ-QWHCGFSZSA-N 1 0 277.324 2.230 20 5 CEBDRO CC(C)N(CCC[NH3+])c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156124629 811198397 /nfs/dbraw/zinc/19/83/97/811198397.db2.gz PUEBYGDBDJBFPV-UHFFFAOYSA-N 1 0 289.339 2.102 20 5 CEBDRO COc1cccc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168844340 811276574 /nfs/dbraw/zinc/27/65/74/811276574.db2.gz LDRJXFVHQLWYPY-UHFFFAOYSA-N 1 0 298.302 2.401 20 5 CEBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976696 811305523 /nfs/dbraw/zinc/30/55/23/811305523.db2.gz FEBAJRWKOPIAFY-QJPTWQEYSA-N 1 0 256.346 2.169 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)C1 ZINC001168977474 811306010 /nfs/dbraw/zinc/30/60/10/811306010.db2.gz KCOPCQPTNMUIGO-IJOLSIAMSA-N 1 0 294.395 2.105 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C1 ZINC001168977819 811306395 /nfs/dbraw/zinc/30/63/95/811306395.db2.gz MGCOLAHAECHGDD-HONMWMINSA-N 1 0 298.770 2.408 20 5 CEBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978272 811306445 /nfs/dbraw/zinc/30/64/45/811306445.db2.gz QNZICKWXRCCLDU-ZIAGYGMSSA-N 1 0 278.352 2.273 20 5 CEBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978622 811308494 /nfs/dbraw/zinc/30/84/94/811308494.db2.gz TUWLEWOKNBWMBQ-RRFJBIMHSA-N 1 0 283.416 2.142 20 5 CEBDRO CCOC(=O)CCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979180 811309063 /nfs/dbraw/zinc/30/90/63/811309063.db2.gz WXYMQFCJINPIQB-STQMWFEESA-N 1 0 286.372 2.145 20 5 CEBDRO C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985395 811311209 /nfs/dbraw/zinc/31/12/09/811311209.db2.gz DXSBCJWWZRGHQA-MGPQQGTHSA-N 1 0 278.352 2.489 20 5 CEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168984444 811311434 /nfs/dbraw/zinc/31/14/34/811311434.db2.gz OAJYTMLSVPFQFW-UKRRQHHQSA-N 1 0 291.351 2.180 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168958062 811312329 /nfs/dbraw/zinc/31/23/29/811312329.db2.gz LLZFMKHPROOCNA-CHWSQXEVSA-N 1 0 264.325 2.230 20 5 CEBDRO Cc1ccc2ncc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)n2c1 ZINC001168961286 811313581 /nfs/dbraw/zinc/31/35/81/811313581.db2.gz IPCWODPMDAOYCU-OLZOCXBDSA-N 1 0 288.351 2.178 20 5 CEBDRO CN(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965675 811316860 /nfs/dbraw/zinc/31/68/60/811316860.db2.gz BWZMMTLWKDLEFY-IMJJTQAJSA-N 1 0 291.395 2.324 20 5 CEBDRO CN(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965665 811317277 /nfs/dbraw/zinc/31/72/77/811317277.db2.gz BTGNCCHYCHTQEH-KBPBESRZSA-N 1 0 277.368 2.158 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)nc1 ZINC001168966314 811319195 /nfs/dbraw/zinc/31/91/95/811319195.db2.gz HXQLEEHTDZYITR-WCBMZHEXSA-N 1 0 282.731 2.095 20 5 CEBDRO [NH3+]Cc1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975482 811323514 /nfs/dbraw/zinc/32/35/14/811323514.db2.gz VXQRGIPSCKQQMO-MNOVXSKESA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1nc(CC[NH3+])nn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168991419 811324124 /nfs/dbraw/zinc/32/41/24/811324124.db2.gz JVGGZKFSYVGTLC-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001168997376 811326241 /nfs/dbraw/zinc/32/62/41/811326241.db2.gz CSGJJFLCGLMQJA-RYUDHWBXSA-N 1 0 278.356 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc3O2)C1 ZINC001169003122 811328121 /nfs/dbraw/zinc/32/81/21/811328121.db2.gz NROLXWOMEADMKS-BPLDGKMQSA-N 1 0 290.363 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cnccc32)C1 ZINC001169004450 811329691 /nfs/dbraw/zinc/32/96/91/811329691.db2.gz QYDGZWKRUHUPMJ-UXIGCNINSA-N 1 0 275.352 2.494 20 5 CEBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169038208 811348382 /nfs/dbraw/zinc/34/83/82/811348382.db2.gz WYEXXXVOWBRFGO-MQYQWHSLSA-N 1 0 298.383 2.095 20 5 CEBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038794 811349414 /nfs/dbraw/zinc/34/94/14/811349414.db2.gz KJQGUMGPZXXPJK-ZBBUEOHVSA-N 1 0 268.357 2.074 20 5 CEBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042859 811350474 /nfs/dbraw/zinc/35/04/74/811350474.db2.gz GOSNBBCUHVSZMP-HZSPNIEDSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001169040452 811351191 /nfs/dbraw/zinc/35/11/91/811351191.db2.gz ZWWHQUKDQMUKII-QLFBSQMISA-N 1 0 282.384 2.180 20 5 CEBDRO Cn1ccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169046751 811353863 /nfs/dbraw/zinc/35/38/63/811353863.db2.gz MNZADHALNGWKBQ-GXTWGEPZSA-N 1 0 292.383 2.045 20 5 CEBDRO CC1(C)C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)O1 ZINC001169045732 811354223 /nfs/dbraw/zinc/35/42/23/811354223.db2.gz JVMXSLBMOJEBQA-RYUDHWBXSA-N 1 0 270.373 2.321 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC001169024481 811354350 /nfs/dbraw/zinc/35/43/50/811354350.db2.gz HKOABEPZVCHCDH-RDBSUJKOSA-N 1 0 275.352 2.316 20 5 CEBDRO CC1(C)C[C@@H](Nc2cnc([N+](=O)[O-])cn2)C[C@@](C)(C[NH3+])C1 ZINC001169151165 811414640 /nfs/dbraw/zinc/41/46/40/811414640.db2.gz GPZNXGCMQRMMDB-QMTHXVAHSA-N 1 0 293.371 2.340 20 5 CEBDRO CC1(C)C[C@@H](Nc2cnc([N+](=O)[O-])cn2)C[C@](C)(C[NH3+])C1 ZINC001169151166 811415656 /nfs/dbraw/zinc/41/56/56/811415656.db2.gz GPZNXGCMQRMMDB-YGRLFVJLSA-N 1 0 293.371 2.340 20 5 CEBDRO [NH3+]CCONc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001156293722 811490519 /nfs/dbraw/zinc/49/05/19/811490519.db2.gz ONOSIWKUFWTNIF-UHFFFAOYSA-N 1 0 282.687 2.099 20 5 CEBDRO CN(c1ncc(C(C)(C)C)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170053732 812008542 /nfs/dbraw/zinc/00/85/42/812008542.db2.gz YZJRPEIZLDKEQH-UHFFFAOYSA-N 1 0 280.372 2.461 20 5 CEBDRO CC(C)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123228442 815490870 /nfs/dbraw/zinc/49/08/70/815490870.db2.gz QJYJOONHMIHBLK-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO Cc1cnc(N2CCCC[C@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157466707 812164679 /nfs/dbraw/zinc/16/46/79/812164679.db2.gz BDRUTFBVHDONEC-OAHLLOKOSA-N 1 0 290.367 2.411 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC1C[NH+](C)C1 ZINC001170254448 812373898 /nfs/dbraw/zinc/37/38/98/812373898.db2.gz LGSJHMYWIQXVGU-UHFFFAOYSA-N 1 0 263.341 2.494 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170299209 812376719 /nfs/dbraw/zinc/37/67/19/812376719.db2.gz SJKOUEUHISQHQC-DRZSPHRISA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC001170299734 812377176 /nfs/dbraw/zinc/37/71/76/812377176.db2.gz VUIOYUBUFZPQFR-WDBKCZKBSA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnco2)c([N+](=O)[O-])c1 ZINC001170308274 812391999 /nfs/dbraw/zinc/39/19/99/812391999.db2.gz MKHGXCSNUKKWPL-SNVBAGLBSA-N 1 0 291.307 2.312 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170307890 812392572 /nfs/dbraw/zinc/39/25/72/812392572.db2.gz JSOMJYIJCDFRSI-WBIUFABUSA-N 1 0 294.351 2.037 20 5 CEBDRO O=C1CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899242 815539232 /nfs/dbraw/zinc/53/92/32/815539232.db2.gz MWSQWKSHGCAEGU-GFCCVEGCSA-N 1 0 274.320 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@H](O)C1)CC2 ZINC001172896625 815542759 /nfs/dbraw/zinc/54/27/59/815542759.db2.gz PUYFUNATCKEWCT-YCPHGPKFSA-N 1 0 290.363 2.345 20 5 CEBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000218324088 813539317 /nfs/dbraw/zinc/53/93/17/813539317.db2.gz RNFVGJPISILWFR-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170864963 813561317 /nfs/dbraw/zinc/56/13/17/813561317.db2.gz BAAZXHMHRKWYJM-AWEZNQCLSA-N 1 0 275.308 2.217 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+](C)C)c1F ZINC001173186005 815617256 /nfs/dbraw/zinc/61/72/56/815617256.db2.gz QUGUZLJCAXGJOR-MRVPVSSYSA-N 1 0 256.277 2.235 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697089933 814645162 /nfs/dbraw/zinc/64/51/62/814645162.db2.gz ZLAYJAJUPSPSOO-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO Cc1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000698111953 814655778 /nfs/dbraw/zinc/65/57/78/814655778.db2.gz NRWGWQFRQNGVOF-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000712548463 814765822 /nfs/dbraw/zinc/76/58/22/814765822.db2.gz MTWPQIRXKLCAOR-VIFPVBQESA-N 1 0 283.303 2.249 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001116850471 814887430 /nfs/dbraw/zinc/88/74/30/814887430.db2.gz PDZAOBDBCBJIHM-ZIAGYGMSSA-N 1 0 292.335 2.069 20 5 CEBDRO CCC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000714758380 814914484 /nfs/dbraw/zinc/91/44/84/814914484.db2.gz FUWPDBAXBSSPLX-UHFFFAOYSA-N 1 0 263.341 2.298 20 5 CEBDRO CC/C=C(\C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124345523 815611102 /nfs/dbraw/zinc/61/11/02/815611102.db2.gz YMOMUHNRLVKMGK-LFYBBSHMSA-N 1 0 291.351 2.157 20 5 CEBDRO CCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216424 815623312 /nfs/dbraw/zinc/62/33/12/815623312.db2.gz JJVZKTLPFJUYKB-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cccnc1 ZINC001173219618 815624583 /nfs/dbraw/zinc/62/45/83/815624583.db2.gz OJYDGZQSSMEHPN-GFCCVEGCSA-N 1 0 299.330 2.393 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173217844 815624596 /nfs/dbraw/zinc/62/45/96/815624596.db2.gz MRYFVVPAKCCFRF-DRZSPHRISA-N 1 0 292.335 2.067 20 5 CEBDRO COC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221068 815626001 /nfs/dbraw/zinc/62/60/01/815626001.db2.gz FRIREOMLQIXSBT-TZMCWYRMSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN(C)C ZINC001173225327 815629284 /nfs/dbraw/zinc/62/92/84/815629284.db2.gz JKEVVGJKGFXUPU-LBPRGKRZSA-N 1 0 265.357 2.019 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCN(C)C1 ZINC001173226043 815629333 /nfs/dbraw/zinc/62/93/33/815629333.db2.gz HFMKPOHHQDHOKY-WFASDCNBSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCOC1 ZINC001173227085 815631294 /nfs/dbraw/zinc/63/12/94/815631294.db2.gz NWACVQUHGFCEAU-BXUZGUMPSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@@H]1O ZINC001173208662 815635287 /nfs/dbraw/zinc/63/52/87/815635287.db2.gz AFFQBVSQSJEXCC-UGFHNGPFSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1C[NH3+] ZINC001173210849 815635611 /nfs/dbraw/zinc/63/56/11/815635611.db2.gz OXXCRZHXUVWRJD-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1ccnc1 ZINC001173213090 815636716 /nfs/dbraw/zinc/63/67/16/815636716.db2.gz DQFSNZAGTQIHCI-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO CC(C)N(CC[NH3+])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213488 815636850 /nfs/dbraw/zinc/63/68/50/815636850.db2.gz HWNJQNLLGRYBSL-LBPRGKRZSA-N 1 0 265.357 2.195 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(=O)C1 ZINC001173214663 815637230 /nfs/dbraw/zinc/63/72/30/815637230.db2.gz DJWIALBBOHLXBE-SNVBAGLBSA-N 1 0 262.309 2.095 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCC[NH+]1CCCC1)C2 ZINC001206302720 816560317 /nfs/dbraw/zinc/56/03/17/816560317.db2.gz RHGSOVBIRSZOQR-OAHLLOKOSA-N 1 0 276.336 2.174 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127661911 187324217 /nfs/dbraw/zinc/32/42/17/187324217.db2.gz OFSODLQCPFBCIE-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121372164 365559621 /nfs/dbraw/zinc/55/96/21/365559621.db2.gz AKUBYKMSFQNPOS-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1CO ZINC000033394593 361777945 /nfs/dbraw/zinc/77/79/45/361777945.db2.gz HTLIFIOVEGAHAR-ACVFHECNSA-N 1 0 262.309 2.065 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCSCCCO ZINC000449123219 282109420 /nfs/dbraw/zinc/10/94/20/282109420.db2.gz BQMOKGRIYBXDQE-LBPRGKRZSA-N 1 0 298.408 2.231 20 5 CEBDRO C[C@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125017541 187166321 /nfs/dbraw/zinc/16/63/21/187166321.db2.gz OEUWBGSWEKJGEB-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449153293 282122310 /nfs/dbraw/zinc/12/23/10/282122310.db2.gz CTALGLGFDDKKDE-COPLHBTASA-N 1 0 298.408 2.228 20 5 CEBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163336 282126990 /nfs/dbraw/zinc/12/69/90/282126990.db2.gz LVXRVLXGMSFKOM-SMDDNHRTSA-N 1 0 298.408 2.229 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000601324926 346821290 /nfs/dbraw/zinc/82/12/90/346821290.db2.gz QRYGAMYEVIWQBT-NSHDSACASA-N 1 0 281.331 2.437 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186746 282135268 /nfs/dbraw/zinc/13/52/68/282135268.db2.gz JVNPTHJKVWWTLP-NEPJUHHUSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000036793830 361858182 /nfs/dbraw/zinc/85/81/82/361858182.db2.gz TVGQGTYRBGLZDJ-GHMZBOCLSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000449238183 282153527 /nfs/dbraw/zinc/15/35/27/282153527.db2.gz FLVRLMGNBILCIR-LBPRGKRZSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[N@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037900113 361960849 /nfs/dbraw/zinc/96/08/49/361960849.db2.gz MLQYORPQUOVKOB-UHFFFAOYSA-N 1 0 258.705 2.062 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000449256726 282160280 /nfs/dbraw/zinc/16/02/80/282160280.db2.gz JQECVJLBNYJOLY-NJZAAPMLSA-N 1 0 278.352 2.419 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000080611258 344016402 /nfs/dbraw/zinc/01/64/02/344016402.db2.gz GOXRKKCMNATJPR-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO CC[C@H]([NH2+]CCCn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000126577027 187248648 /nfs/dbraw/zinc/24/86/48/187248648.db2.gz GKMGKZPOFHDCSZ-AWEZNQCLSA-N 1 0 289.339 2.317 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000008318274 343362313 /nfs/dbraw/zinc/36/23/13/343362313.db2.gz KJNCBVOLDHCUOS-GFCCVEGCSA-N 1 0 289.339 2.043 20 5 CEBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037160619 343425364 /nfs/dbraw/zinc/42/53/64/343425364.db2.gz NEKQHJFJIJSCDK-RISCZKNCSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000047142640 343511847 /nfs/dbraw/zinc/51/18/47/343511847.db2.gz BKARGOYFLFFZBH-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000127718282 365760104 /nfs/dbraw/zinc/76/01/04/365760104.db2.gz RLRAMEGUZCGUEB-LBPRGKRZSA-N 1 0 279.340 2.040 20 5 CEBDRO CC(C)CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051451235 343550820 /nfs/dbraw/zinc/55/08/20/343550820.db2.gz QWMPDGZXIOTCPT-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408820 343498599 /nfs/dbraw/zinc/49/85/99/343498599.db2.gz GWXFLKQQUDIBNT-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO COCC(COC)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449547348 282279349 /nfs/dbraw/zinc/27/93/49/282279349.db2.gz XRSVGRAXOLMVBX-GFCCVEGCSA-N 1 0 296.367 2.167 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601977614 346947835 /nfs/dbraw/zinc/94/78/35/346947835.db2.gz VLIWWAJOUDBFAJ-VDKLAZJHSA-N 1 0 274.320 2.186 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066137778 343707973 /nfs/dbraw/zinc/70/79/73/343707973.db2.gz XLZPNCSGZWTYEG-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO CC[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000066808813 343722166 /nfs/dbraw/zinc/72/21/66/343722166.db2.gz FZCYZPAJYVKRRL-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000602027164 346964480 /nfs/dbraw/zinc/96/44/80/346964480.db2.gz DYQSTPUNFSSSFO-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000295512172 199542058 /nfs/dbraw/zinc/54/20/58/199542058.db2.gz UZYMBMWVQQIWCI-GXFFZTMASA-N 1 0 266.366 2.478 20 5 CEBDRO CCO[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076403491 343889265 /nfs/dbraw/zinc/88/92/65/343889265.db2.gz KSURZMWHENJDKC-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000078454959 343953137 /nfs/dbraw/zinc/95/31/37/343953137.db2.gz ODEOJCIZIGIPPY-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1cnc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630935 343959085 /nfs/dbraw/zinc/95/90/85/343959085.db2.gz WBYAVXJDTCULPN-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)c1 ZINC000088700679 344112810 /nfs/dbraw/zinc/11/28/10/344112810.db2.gz QFHVHENXUIWVIM-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000088718681 344112913 /nfs/dbraw/zinc/11/29/13/344112913.db2.gz OLPJIWFNNJUQTD-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CCc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449680228 282329070 /nfs/dbraw/zinc/32/90/70/282329070.db2.gz SXMQIWBTOIUPHU-UHFFFAOYSA-N 1 0 291.351 2.111 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602440648 347033540 /nfs/dbraw/zinc/03/35/40/347033540.db2.gz AARFHQAMWQQCAU-CYBMUJFWSA-N 1 0 286.335 2.318 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438858 347033932 /nfs/dbraw/zinc/03/39/32/347033932.db2.gz BNQLWCANKALZIV-PWSUYJOCSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000125466892 344319270 /nfs/dbraw/zinc/31/92/70/344319270.db2.gz VEEMRZYLOKRYBM-GUTXKFCHSA-N 1 0 276.336 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000122522767 344307078 /nfs/dbraw/zinc/30/70/78/344307078.db2.gz OMNVTTLOOOEMFN-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO Cc1sc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000151798159 344423150 /nfs/dbraw/zinc/42/31/50/344423150.db2.gz SIYIKIHBBUDZBM-UHFFFAOYSA-N 1 0 285.369 2.083 20 5 CEBDRO [NH3+]CCCCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015919 362389387 /nfs/dbraw/zinc/38/93/87/362389387.db2.gz UVTLEPITEVSCBN-UHFFFAOYSA-N 1 0 279.340 2.120 20 5 CEBDRO CC(C)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602478137 347052183 /nfs/dbraw/zinc/05/21/83/347052183.db2.gz VDTKKJIGYSJFQZ-UHFFFAOYSA-N 1 0 266.345 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(CO)cc1 ZINC000227475597 344553553 /nfs/dbraw/zinc/55/35/53/344553553.db2.gz WAMUFGZNPNWTRW-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO Cc1cnc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000231653337 344575193 /nfs/dbraw/zinc/57/51/93/344575193.db2.gz ZQDPRBGMQDEAKP-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602516317 347063515 /nfs/dbraw/zinc/06/35/15/347063515.db2.gz YQKMFUTUDGQOLW-NWDGAFQWSA-N 1 0 290.367 2.204 20 5 CEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCC[NH2+]2)s1 ZINC000312479548 344738816 /nfs/dbraw/zinc/73/88/16/344738816.db2.gz TWSYQMZSZACFHF-QMMMGPOBSA-N 1 0 293.352 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CO)c(F)c1 ZINC000313496358 344742865 /nfs/dbraw/zinc/74/28/65/344742865.db2.gz JWVQDVFFPIHXHZ-ZDUSSCGKSA-N 1 0 282.315 2.471 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000293100755 344690937 /nfs/dbraw/zinc/69/09/37/344690937.db2.gz LBMNUAJWTVILOW-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO COc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC000602527824 347066795 /nfs/dbraw/zinc/06/67/95/347066795.db2.gz HKKCGLMZKUKECF-LBPRGKRZSA-N 1 0 280.324 2.262 20 5 CEBDRO Cc1sc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602525522 347066883 /nfs/dbraw/zinc/06/68/83/347066883.db2.gz CQZRTAODHFNAKQ-LLVKDONJSA-N 1 0 297.380 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000602569712 347082725 /nfs/dbraw/zinc/08/27/25/347082725.db2.gz RIBXHGCEQMLSFD-HDJSIYSDSA-N 1 0 278.352 2.278 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401202777 344867058 /nfs/dbraw/zinc/86/70/58/344867058.db2.gz GLULAFYKOLFBGC-JTQLQIEISA-N 1 0 282.319 2.271 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401228014 344867703 /nfs/dbraw/zinc/86/77/03/344867703.db2.gz YUERJGCYRIMOMJ-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762980 344881922 /nfs/dbraw/zinc/88/19/22/344881922.db2.gz KCQNXYIJSMWXDN-BIMULSAOSA-N 1 0 263.341 2.371 20 5 CEBDRO C[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602575340 347084775 /nfs/dbraw/zinc/08/47/75/347084775.db2.gz GDRKPDWWUCIDBL-SSDOTTSWSA-N 1 0 278.230 2.084 20 5 CEBDRO [NH3+]CCN(Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000589190849 345070070 /nfs/dbraw/zinc/07/00/70/345070070.db2.gz FYYOKTSCFBTXFQ-UHFFFAOYSA-N 1 0 287.319 2.266 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590011360 345110066 /nfs/dbraw/zinc/11/00/66/345110066.db2.gz INMSSCAQKZWFCI-BXUZGUMPSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@]12C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590765134 345176655 /nfs/dbraw/zinc/17/66/55/345176655.db2.gz RUOOGLIGOAJYRJ-QVHKTLOISA-N 1 0 290.367 2.159 20 5 CEBDRO Cc1nc(N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000590567984 345145884 /nfs/dbraw/zinc/14/58/84/345145884.db2.gz RYGKXTKCHDZWSX-UHFFFAOYSA-N 1 0 290.367 2.220 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000590657723 345156254 /nfs/dbraw/zinc/15/62/54/345156254.db2.gz OZEBOLGTDSJNQY-ZJUUUORDSA-N 1 0 284.337 2.088 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591147253 345224364 /nfs/dbraw/zinc/22/43/64/345224364.db2.gz CBROMJOTNRLEBB-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1cccc(N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442183 345255837 /nfs/dbraw/zinc/25/58/37/345255837.db2.gz NATOCMKNIGTMDD-CYBMUJFWSA-N 1 0 267.304 2.041 20 5 CEBDRO Cc1cccc(N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442184 345255886 /nfs/dbraw/zinc/25/58/86/345255886.db2.gz NATOCMKNIGTMDD-ZDUSSCGKSA-N 1 0 267.304 2.041 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000591442852 345255995 /nfs/dbraw/zinc/25/59/95/345255995.db2.gz ABHWLXYOSSXQSQ-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1ccc(NC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000591270314 345236928 /nfs/dbraw/zinc/23/69/28/345236928.db2.gz DNJXGQYGIUJVLA-UHFFFAOYSA-N 1 0 292.339 2.248 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591447814 345256925 /nfs/dbraw/zinc/25/69/25/345256925.db2.gz AFRPJZWGTKEJGJ-JMSVASOKSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591436855 345253633 /nfs/dbraw/zinc/25/36/33/345253633.db2.gz BYSNPFMQJCRUOI-VXGBXAGGSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591436849 345253865 /nfs/dbraw/zinc/25/38/65/345253865.db2.gz BYSNPFMQJCRUOI-NEPJUHHUSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1c([C@H](C)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591577209 345265448 /nfs/dbraw/zinc/26/54/48/345265448.db2.gz BGRHEJPNLLDXJN-NSHDSACASA-N 1 0 263.341 2.306 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nc21 ZINC000591686586 345274097 /nfs/dbraw/zinc/27/40/97/345274097.db2.gz CBUKSTWUPFWTIC-LBPRGKRZSA-N 1 0 290.298 2.315 20 5 CEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374822 345347573 /nfs/dbraw/zinc/34/75/73/345347573.db2.gz LLTWUEHIXUAGPG-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000592432386 345352864 /nfs/dbraw/zinc/35/28/64/345352864.db2.gz GMOIGBODMGECOV-QMTHXVAHSA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1c(CN2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000057911810 232178768 /nfs/dbraw/zinc/17/87/68/232178768.db2.gz KZWVPYFFJNMNNS-UHFFFAOYSA-N 1 0 299.321 2.286 20 5 CEBDRO O=[N+]([O-])c1cn(Cc2ccc3c(c2)C[NH2+]CC3)nc1C1CC1 ZINC000593013431 345423319 /nfs/dbraw/zinc/42/33/19/345423319.db2.gz MLDVRKOTBDNTIJ-UHFFFAOYSA-N 1 0 298.346 2.363 20 5 CEBDRO NC(=O)c1ccc(C[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593078842 345434524 /nfs/dbraw/zinc/43/45/24/345434524.db2.gz CBVRNDPHRPBAMR-UHFFFAOYSA-N 1 0 289.335 2.116 20 5 CEBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081367 345434802 /nfs/dbraw/zinc/43/48/02/345434802.db2.gz CQXADLRGPZGHDM-LBPRGKRZSA-N 1 0 278.352 2.435 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592744273 345392066 /nfs/dbraw/zinc/39/20/66/345392066.db2.gz ULJXWXUTFRTUII-ZYHUDNBSSA-N 1 0 277.324 2.182 20 5 CEBDRO Cc1c(NC(=O)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000102063535 232190775 /nfs/dbraw/zinc/19/07/75/232190775.db2.gz CGPLHEFDJJTGNS-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000592783673 345396702 /nfs/dbraw/zinc/39/67/02/345396702.db2.gz OYFYNJKSGKNAPB-DMDPSCGWSA-N 1 0 291.351 2.112 20 5 CEBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592833323 345402402 /nfs/dbraw/zinc/40/24/02/345402402.db2.gz YNNWBEZSTNBHGG-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccnc(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593479598 345494126 /nfs/dbraw/zinc/49/41/26/345494126.db2.gz GZPZMAAFZXOUIV-UHFFFAOYSA-N 1 0 280.372 2.110 20 5 CEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000593884654 345548389 /nfs/dbraw/zinc/54/83/89/345548389.db2.gz VNPVEGATOWXCMZ-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CO)CCC1 ZINC000594500384 345639276 /nfs/dbraw/zinc/63/92/76/345639276.db2.gz LPOHRKTYCAVAFA-CYBMUJFWSA-N 1 0 276.336 2.334 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594506573 345639633 /nfs/dbraw/zinc/63/96/33/345639633.db2.gz CFWIOCFFWFIHPU-BWUZBNCSSA-N 1 0 274.320 2.492 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594599912 345656152 /nfs/dbraw/zinc/65/61/52/345656152.db2.gz KFNCHINTIGEISU-NEPJUHHUSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599913 345656346 /nfs/dbraw/zinc/65/63/46/345656346.db2.gz KFNCHINTIGEISU-NWDGAFQWSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000595230960 345746619 /nfs/dbraw/zinc/74/66/19/345746619.db2.gz KGFLQQVTTMSJGP-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228905 345746810 /nfs/dbraw/zinc/74/68/10/345746810.db2.gz PTANRAHBJIERRB-RNCFNFMXSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1noc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293066 345755730 /nfs/dbraw/zinc/75/57/30/345755730.db2.gz XIQDVBFIWRHCNH-IUCAKERBSA-N 1 0 253.302 2.369 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC(O)(C2CC2)C2CC2)cs1 ZINC000594983552 345721512 /nfs/dbraw/zinc/72/15/12/345721512.db2.gz PQTXTDFSPXYLOQ-UHFFFAOYSA-N 1 0 282.365 2.297 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006611 345725169 /nfs/dbraw/zinc/72/51/69/345725169.db2.gz MBUYIVSXOAMMBT-VHSXEESVSA-N 1 0 268.313 2.289 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000595024479 345730256 /nfs/dbraw/zinc/73/02/56/345730256.db2.gz GHOVUUMLSSSTRK-CYBMUJFWSA-N 1 0 276.336 2.439 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595563138 345814713 /nfs/dbraw/zinc/81/47/13/345814713.db2.gz ODKDPNKLYDSWTA-GFCCVEGCSA-N 1 0 288.307 2.276 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461589 345788735 /nfs/dbraw/zinc/78/87/35/345788735.db2.gz XOYJPACHTZLLMN-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595462231 345789030 /nfs/dbraw/zinc/78/90/30/345789030.db2.gz SDUFFMYPIHUVKE-ZDUSSCGKSA-N 1 0 268.288 2.393 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467538 345790620 /nfs/dbraw/zinc/79/06/20/345790620.db2.gz MVXRQXZJTSVNOV-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595490093 345794620 /nfs/dbraw/zinc/79/46/20/345794620.db2.gz CRKJTTPXLVQLPJ-UHFFFAOYSA-N 1 0 296.371 2.199 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522220 345803548 /nfs/dbraw/zinc/80/35/48/345803548.db2.gz JPMSGGDPJRPFFM-NSHDSACASA-N 1 0 283.328 2.140 20 5 CEBDRO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595731399 345861764 /nfs/dbraw/zinc/86/17/64/345861764.db2.gz FRSIKEQCCJTZEU-GHMZBOCLSA-N 1 0 264.325 2.044 20 5 CEBDRO Cc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657180 345839213 /nfs/dbraw/zinc/83/92/13/345839213.db2.gz KAAXNEUTTUVZMV-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827046 345887348 /nfs/dbraw/zinc/88/73/48/345887348.db2.gz KWHBKEHKNMERNX-QWHCGFSZSA-N 1 0 262.309 2.063 20 5 CEBDRO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000595749891 345865849 /nfs/dbraw/zinc/86/58/49/345865849.db2.gz NSLPMHTUPUFOKL-HBYGRHMLSA-N 1 0 294.351 2.052 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595777664 345874689 /nfs/dbraw/zinc/87/46/89/345874689.db2.gz IVSURCFISSLCOJ-STQMWFEESA-N 1 0 280.299 2.127 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595808947 345881033 /nfs/dbraw/zinc/88/10/33/345881033.db2.gz PJQXIGAABYYBRN-VXGBXAGGSA-N 1 0 292.335 2.324 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595860125 345900299 /nfs/dbraw/zinc/90/02/99/345900299.db2.gz HILKIHIZHFFUNN-IAQYHMDHSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595873244 345902881 /nfs/dbraw/zinc/90/28/81/345902881.db2.gz KWGCBLJJGUSPHA-FZMZJTMJSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CC1(C)C2 ZINC000595915811 345912767 /nfs/dbraw/zinc/91/27/67/345912767.db2.gz OIPMZYFNTICFHC-NLTNOIMHSA-N 1 0 289.335 2.406 20 5 CEBDRO C[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596090300 345937300 /nfs/dbraw/zinc/93/73/00/345937300.db2.gz ORSNCGCGQFQRAZ-UHFFFAOYSA-N 1 0 294.355 2.372 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596096006 345939508 /nfs/dbraw/zinc/93/95/08/345939508.db2.gz SXEUIEWJYQJRSI-NSHDSACASA-N 1 0 294.355 2.228 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596124740 345945049 /nfs/dbraw/zinc/94/50/49/345945049.db2.gz ZQWBYBMEHJFWOQ-CQSZACIVSA-N 1 0 292.339 2.085 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596126817 345945732 /nfs/dbraw/zinc/94/57/32/345945732.db2.gz QGDXXUXCSKMJFK-SECBINFHSA-N 1 0 284.747 2.031 20 5 CEBDRO Cc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000596277172 345989732 /nfs/dbraw/zinc/98/97/32/345989732.db2.gz AWOGCQMSPKXOBY-SNVBAGLBSA-N 1 0 269.370 2.495 20 5 CEBDRO C[C@@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596453326 346027581 /nfs/dbraw/zinc/02/75/81/346027581.db2.gz JGJWCHUBHXKLLL-JTQLQIEISA-N 1 0 280.328 2.057 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295121713 199357335 /nfs/dbraw/zinc/35/73/35/199357335.db2.gz NIRHVJKZBDDOPN-AWEZNQCLSA-N 1 0 264.325 2.453 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597061059 346122771 /nfs/dbraw/zinc/12/27/71/346122771.db2.gz JFCVJNLIXQYKHU-DZGCQCFKSA-N 1 0 276.336 2.294 20 5 CEBDRO COCCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000597183556 346143708 /nfs/dbraw/zinc/14/37/08/346143708.db2.gz KYUMNSUPRJIMCU-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO Cc1cnn(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178223682 232369212 /nfs/dbraw/zinc/36/92/12/232369212.db2.gz RNCRCBAHEMQMNS-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC2(COC2)C1 ZINC000597229565 346155353 /nfs/dbraw/zinc/15/53/53/346155353.db2.gz MKSOYTZVKYFBEY-HWKANZROSA-N 1 0 274.320 2.330 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000597231105 346156139 /nfs/dbraw/zinc/15/61/39/346156139.db2.gz NNYLBEHMMNYRHU-UONOGXRCSA-N 1 0 276.336 2.372 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)F ZINC000295130719 199361591 /nfs/dbraw/zinc/36/15/91/199361591.db2.gz YAPSPAWBPYHJOE-NEPJUHHUSA-N 1 0 288.294 2.397 20 5 CEBDRO Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000295130419 199361628 /nfs/dbraw/zinc/36/16/28/199361628.db2.gz XZBHFRJSRNFECV-NSHDSACASA-N 1 0 293.371 2.370 20 5 CEBDRO CCc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990931 346265143 /nfs/dbraw/zinc/26/51/43/346265143.db2.gz BCMMCCCOWMNUDK-LLVKDONJSA-N 1 0 293.367 2.227 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000598040478 346274500 /nfs/dbraw/zinc/27/45/00/346274500.db2.gz GCMDHXCGNSYUIG-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598647694 346392463 /nfs/dbraw/zinc/39/24/63/346392463.db2.gz CTJBDWCXZZRSLA-GXTWGEPZSA-N 1 0 278.352 2.088 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351360 362718314 /nfs/dbraw/zinc/71/83/14/362718314.db2.gz ATSDRTRJAIOINI-CYBMUJFWSA-N 1 0 252.314 2.360 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598996339 346444372 /nfs/dbraw/zinc/44/43/72/346444372.db2.gz GPLCULAUYFTSMK-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000598916287 346433786 /nfs/dbraw/zinc/43/37/86/346433786.db2.gz WXENHISRLAOHJN-NSHDSACASA-N 1 0 298.730 2.107 20 5 CEBDRO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000599083328 346457275 /nfs/dbraw/zinc/45/72/75/346457275.db2.gz ISSPSPBPTKDSHZ-MSRIBSCDSA-N 1 0 279.315 2.039 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000599139362 346466409 /nfs/dbraw/zinc/46/64/09/346466409.db2.gz NINVUEOMFLFPRV-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599166602 346471374 /nfs/dbraw/zinc/47/13/74/346471374.db2.gz YMGBEHSUQDHLRK-ZDUSSCGKSA-N 1 0 290.367 2.149 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599589360 346543038 /nfs/dbraw/zinc/54/30/38/346543038.db2.gz RVSJGHDCCAYMJS-MNOVXSKESA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000599624003 346547657 /nfs/dbraw/zinc/54/76/57/346547657.db2.gz JCBALUGGYIXMRZ-UUIJZJDISA-N 1 0 294.351 2.375 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679743 346672757 /nfs/dbraw/zinc/67/27/57/346672757.db2.gz OAJFCVRHQGTVMS-YPMHNXCESA-N 1 0 293.367 2.224 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000600746286 346683703 /nfs/dbraw/zinc/68/37/03/346683703.db2.gz WCNKZEOECOSXSQ-GASCZTMLSA-N 1 0 275.352 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cccc3c2C[NH2+]C3)c1 ZINC000600793798 346692322 /nfs/dbraw/zinc/69/23/22/346692322.db2.gz PGEDXUKPSZFXDN-UHFFFAOYSA-N 1 0 284.315 2.400 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000601116392 346758021 /nfs/dbraw/zinc/75/80/21/346758021.db2.gz SLFACRXKKXVXSW-LLVKDONJSA-N 1 0 280.303 2.025 20 5 CEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1SCC[NH+](C)C ZINC000601128047 346762467 /nfs/dbraw/zinc/76/24/67/346762467.db2.gz ZPXVQIOVBVHJGJ-UHFFFAOYSA-N 1 0 298.290 2.001 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452162 187371499 /nfs/dbraw/zinc/37/14/99/187371499.db2.gz ICLRQNOZNREBSR-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812417 365852050 /nfs/dbraw/zinc/85/20/50/365852050.db2.gz AFRYOVYJMILNAX-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602643171 347120008 /nfs/dbraw/zinc/12/00/08/347120008.db2.gz JVOXEDOKFHSPQY-QWHCGFSZSA-N 1 0 292.335 2.069 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236920059 370654967 /nfs/dbraw/zinc/65/49/67/370654967.db2.gz RJEGIFBLXKWDTE-PWSUYJOCSA-N 1 0 279.340 2.208 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000602718834 347168567 /nfs/dbraw/zinc/16/85/67/347168567.db2.gz VKMPAZAZJGMEBH-CQSZACIVSA-N 1 0 278.352 2.136 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CF)CCOCC2)cc1 ZINC000602684054 347144193 /nfs/dbraw/zinc/14/41/93/347144193.db2.gz FCJUPWPMFUVKFS-UHFFFAOYSA-N 1 0 296.342 2.493 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689545 347148094 /nfs/dbraw/zinc/14/80/94/347148094.db2.gz FGCICKCWNXRFDS-MWLCHTKSSA-N 1 0 291.307 2.393 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602690232 347149074 /nfs/dbraw/zinc/14/90/74/347149074.db2.gz HGGNLZYEZGRGDL-JGZJWPJOSA-N 1 0 291.307 2.393 20 5 CEBDRO COCCC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602706817 347161371 /nfs/dbraw/zinc/16/13/71/347161371.db2.gz MOCRKHHYFVPYJI-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602654531 347125594 /nfs/dbraw/zinc/12/55/94/347125594.db2.gz MWTVOSXLAJNTCF-GXTWGEPZSA-N 1 0 278.352 2.400 20 5 CEBDRO CO[C@](C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602660081 347128688 /nfs/dbraw/zinc/12/86/88/347128688.db2.gz YDDSWMGEQTYROK-OAHLLOKOSA-N 1 0 293.367 2.175 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602733950 347177762 /nfs/dbraw/zinc/17/77/62/347177762.db2.gz GLWJVFOAGZQBOG-YWVKMMECSA-N 1 0 291.307 2.392 20 5 CEBDRO Cn1cc(CN2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC000602842978 347221474 /nfs/dbraw/zinc/22/14/74/347221474.db2.gz WRWPJDJYPBTSPY-UHFFFAOYSA-N 1 0 299.334 2.013 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602883836 347238045 /nfs/dbraw/zinc/23/80/45/347238045.db2.gz NEDFNDBZWNOWFJ-SNVBAGLBSA-N 1 0 254.334 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000602894417 347241087 /nfs/dbraw/zinc/24/10/87/347241087.db2.gz GQWPCMNSKHHFJF-GFCCVEGCSA-N 1 0 284.335 2.171 20 5 CEBDRO COCCCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965621 347258283 /nfs/dbraw/zinc/25/82/83/347258283.db2.gz KBXPGFYFZXZELD-OAHLLOKOSA-N 1 0 296.367 2.209 20 5 CEBDRO C[C@](CO)([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962674 347258441 /nfs/dbraw/zinc/25/84/41/347258441.db2.gz NMYSBALZLMDCTG-LLVKDONJSA-N 1 0 292.257 2.344 20 5 CEBDRO Cc1nn(CC[NH+]2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603327741 347338747 /nfs/dbraw/zinc/33/87/47/347338747.db2.gz QPUUPEXSNPMXMC-UHFFFAOYSA-N 1 0 289.339 2.134 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1(C)C ZINC000603399980 347359599 /nfs/dbraw/zinc/35/95/99/347359599.db2.gz GDHJJQMUPUIINQ-GHMZBOCLSA-N 1 0 264.329 2.130 20 5 CEBDRO CC[C@@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186105 347303331 /nfs/dbraw/zinc/30/33/31/347303331.db2.gz OXUOQBNPAZQHNR-BXKDBHETSA-N 1 0 275.312 2.205 20 5 CEBDRO CC[C@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218950 347311919 /nfs/dbraw/zinc/31/19/19/347311919.db2.gz OGJMYPVVEUEPDS-ONGXEEELSA-N 1 0 275.312 2.205 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609135537 347627405 /nfs/dbraw/zinc/62/74/05/347627405.db2.gz PPQPOJXGRMNPEB-SNVBAGLBSA-N 1 0 297.380 2.259 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000610001983 347657328 /nfs/dbraw/zinc/65/73/28/347657328.db2.gz RECMJOXHSJEZPF-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838596 365910456 /nfs/dbraw/zinc/91/04/56/365910456.db2.gz NHKSQBKNVQHLIE-JQWIXIFHSA-N 1 0 281.331 2.306 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCF)CC2)c1 ZINC000610819882 347716567 /nfs/dbraw/zinc/71/65/67/347716567.db2.gz XKWYWNZAQDQAIZ-UHFFFAOYSA-N 1 0 281.331 2.072 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)c1 ZINC000610273742 347668444 /nfs/dbraw/zinc/66/84/44/347668444.db2.gz CXUYRKHWPCLQBT-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000610281170 347668849 /nfs/dbraw/zinc/66/88/49/347668849.db2.gz HLTYBYUFJCSZEU-CYBMUJFWSA-N 1 0 290.367 2.302 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611411978 347775631 /nfs/dbraw/zinc/77/56/31/347775631.db2.gz MMDQACGDTSIMMS-SECBINFHSA-N 1 0 255.343 2.044 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610990632 347727370 /nfs/dbraw/zinc/72/73/70/347727370.db2.gz DKZDLSHWKWKVBO-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000610990796 347728463 /nfs/dbraw/zinc/72/84/63/347728463.db2.gz NIMOXOMKHAQIMA-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092216 347738721 /nfs/dbraw/zinc/73/87/21/347738721.db2.gz LSZBKZAKUYMKFY-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CC1CC1 ZINC000611108292 347739371 /nfs/dbraw/zinc/73/93/71/347739371.db2.gz ZFVBPDZQVZNMJB-LYKUJDHUSA-N 1 0 276.336 2.359 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000611116292 347740923 /nfs/dbraw/zinc/74/09/23/347740923.db2.gz ZPZJEKXLPSGJAT-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000611165834 347746221 /nfs/dbraw/zinc/74/62/21/347746221.db2.gz ZKZHYDQACGGIIE-LLVKDONJSA-N 1 0 297.380 2.322 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000611617139 347799876 /nfs/dbraw/zinc/79/98/76/347799876.db2.gz JNGVUJFVDMWWBE-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1c(CN2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086469626 179299802 /nfs/dbraw/zinc/29/98/02/179299802.db2.gz HFGUNMIQTPGRQQ-QWRGUYRKSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917780 219248800 /nfs/dbraw/zinc/24/88/00/219248800.db2.gz RCYWGOILWJLMTC-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCOC(C)(C)C1 ZINC000351926634 219250849 /nfs/dbraw/zinc/25/08/49/219250849.db2.gz OWZLAHJGAZEVOE-LLVKDONJSA-N 1 0 296.371 2.108 20 5 CEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000351935809 219254755 /nfs/dbraw/zinc/25/47/55/219254755.db2.gz NTTOPIDOBPPQQV-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419972 348197885 /nfs/dbraw/zinc/19/78/85/348197885.db2.gz KBJPILPUZAADDN-VXGBXAGGSA-N 1 0 287.323 2.194 20 5 CEBDRO Cc1c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000351952128 219263403 /nfs/dbraw/zinc/26/34/03/219263403.db2.gz RCRJLLUFIVRNPP-NWDGAFQWSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362968 348487182 /nfs/dbraw/zinc/48/71/82/348487182.db2.gz KDIRTUITARWRTG-LDYMZIIASA-N 1 0 292.257 2.477 20 5 CEBDRO COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000351983320 219274524 /nfs/dbraw/zinc/27/45/24/219274524.db2.gz IJLYOQLZNKRSBD-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000339505047 215215752 /nfs/dbraw/zinc/21/57/52/215215752.db2.gz LAEAXPJJSZBCAX-SDQPKGBYSA-N 1 0 262.309 2.377 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000619872670 349242042 /nfs/dbraw/zinc/24/20/42/349242042.db2.gz GEURGTLAVMSVCX-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000090551224 180002396 /nfs/dbraw/zinc/00/23/96/180002396.db2.gz PAYKMUFPPBLVAI-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1cnc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000090692334 180025174 /nfs/dbraw/zinc/02/51/74/180025174.db2.gz TVMLBFWOTJFKAM-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO C[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720466 180030111 /nfs/dbraw/zinc/03/01/11/180030111.db2.gz XUFGGAHQBXCYFY-GXSJLCMTSA-N 1 0 269.370 2.229 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000274102365 192439307 /nfs/dbraw/zinc/43/93/07/192439307.db2.gz UWVQVBSSIKVONN-VXGBXAGGSA-N 1 0 294.351 2.315 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000271305622 191063799 /nfs/dbraw/zinc/06/37/99/191063799.db2.gz VNZSSZJTIRZDEV-UKRRQHHQSA-N 1 0 278.352 2.496 20 5 CEBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339713367 215311740 /nfs/dbraw/zinc/31/17/40/215311740.db2.gz ZXTBZZFREFVHCU-GFCCVEGCSA-N 1 0 291.351 2.072 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352183905 219348711 /nfs/dbraw/zinc/34/87/11/219348711.db2.gz KIECVSSTVSZTFQ-UHFFFAOYSA-N 1 0 269.276 2.014 20 5 CEBDRO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000106408553 186114498 /nfs/dbraw/zinc/11/44/98/186114498.db2.gz NXDCMOMYKWSEOQ-ZDUSSCGKSA-N 1 0 279.340 2.428 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868264 186144711 /nfs/dbraw/zinc/14/47/11/186144711.db2.gz NZBPTKGHGVTEDE-ZIAGYGMSSA-N 1 0 275.352 2.311 20 5 CEBDRO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000107040873 186156064 /nfs/dbraw/zinc/15/60/64/186156064.db2.gz KXSYLMCQVQWFMA-CYBMUJFWSA-N 1 0 296.367 2.455 20 5 CEBDRO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000271403404 191118613 /nfs/dbraw/zinc/11/86/13/191118613.db2.gz WEXOUWWWNQGAMO-VQOXYXNASA-N 1 0 276.336 2.311 20 5 CEBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298165 186391711 /nfs/dbraw/zinc/39/17/11/186391711.db2.gz RUBUPBCINFDBAP-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)OC ZINC000291367972 198001470 /nfs/dbraw/zinc/00/14/70/198001470.db2.gz ZPCRGLVDNCDSSV-NSHDSACASA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070173369 363047244 /nfs/dbraw/zinc/04/72/44/363047244.db2.gz UQHQCZWGTZNFAV-MNOVXSKESA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361301 363075539 /nfs/dbraw/zinc/07/55/39/363075539.db2.gz NBWRCBNZNSHSIU-JQWIXIFHSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCO)CC1 ZINC000339826986 215354628 /nfs/dbraw/zinc/35/46/28/215354628.db2.gz MICKEDJYKQQTSA-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131200686 366029718 /nfs/dbraw/zinc/02/97/18/366029718.db2.gz MJEKYZMSVIYCCA-YPMHNXCESA-N 1 0 250.298 2.424 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000122685830 187045828 /nfs/dbraw/zinc/04/58/28/187045828.db2.gz ZIJSAZDMYHYTJC-MRVPVSSYSA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000122827835 187054171 /nfs/dbraw/zinc/05/41/71/187054171.db2.gz LUCMONSOIVSWGF-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271449123 191143913 /nfs/dbraw/zinc/14/39/13/191143913.db2.gz RPIMOYZVHDLCEU-CQSZACIVSA-N 1 0 292.335 2.370 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000132747929 187645097 /nfs/dbraw/zinc/64/50/97/187645097.db2.gz OUEYHHJLQQMHLC-QPUJVOFHSA-N 1 0 297.742 2.058 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858046 363170526 /nfs/dbraw/zinc/17/05/26/363170526.db2.gz RIDYDBWRJZUIFH-CQSZACIVSA-N 1 0 277.368 2.368 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000192547227 539890357 /nfs/dbraw/zinc/89/03/57/539890357.db2.gz JIBLUTKKTPSTGS-UHFFFAOYSA-N 1 0 284.385 2.364 20 5 CEBDRO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135229018 187808835 /nfs/dbraw/zinc/80/88/35/187808835.db2.gz AXMCQHASNHFBRC-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000236940283 370660238 /nfs/dbraw/zinc/66/02/38/370660238.db2.gz DVEVNAPOTTXFAP-ZWNOBZJWSA-N 1 0 279.340 2.018 20 5 CEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000153840043 188107520 /nfs/dbraw/zinc/10/75/20/188107520.db2.gz OQMKNTGUKNOSCO-SNVBAGLBSA-N 1 0 284.747 2.174 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889186 188110037 /nfs/dbraw/zinc/11/00/37/188110037.db2.gz GOQBRZOWIKUVHM-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000154086034 188122234 /nfs/dbraw/zinc/12/22/34/188122234.db2.gz TYXPBCXQEGEVEO-CYBMUJFWSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1cnc(OCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000157923443 188347053 /nfs/dbraw/zinc/34/70/53/188347053.db2.gz GQTUXQWMSZYPMW-UHFFFAOYSA-N 1 0 279.340 2.409 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488703 283007394 /nfs/dbraw/zinc/00/73/94/283007394.db2.gz GOJAETCUZAOQRD-KBPBESRZSA-N 1 0 294.351 2.377 20 5 CEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000132629365 366159109 /nfs/dbraw/zinc/15/91/09/366159109.db2.gz HKOUAYRRDWSOHW-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO [NH3+]CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCC1 ZINC000132725110 366167547 /nfs/dbraw/zinc/16/75/47/366167547.db2.gz QYFPMTWHOBYFAL-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132757164 366168797 /nfs/dbraw/zinc/16/87/97/366168797.db2.gz ZYXBFGUSNXFCQQ-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174147890 188883876 /nfs/dbraw/zinc/88/38/76/188883876.db2.gz SMCDLVHXUJDZHY-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCOC3)c2c1 ZINC000570756563 299275882 /nfs/dbraw/zinc/27/58/82/299275882.db2.gz BTKYADSBJRMVLM-GFCCVEGCSA-N 1 0 289.335 2.387 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415477196 236674868 /nfs/dbraw/zinc/67/48/68/236674868.db2.gz ATEXMTFTDUUEBR-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296335302 199857202 /nfs/dbraw/zinc/85/72/02/199857202.db2.gz HMHGIKRNGAEBCM-LOWVWBTDSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000338786861 366522379 /nfs/dbraw/zinc/52/23/79/366522379.db2.gz QFIISZWMFJNVCN-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296452899 199897234 /nfs/dbraw/zinc/89/72/34/199897234.db2.gz MWAPZDAWPFPPFJ-WDEREUQCSA-N 1 0 281.356 2.379 20 5 CEBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296452897 199897599 /nfs/dbraw/zinc/89/75/99/199897599.db2.gz MWAPZDAWPFPPFJ-QWRGUYRKSA-N 1 0 281.356 2.379 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N(C)C)CC1 ZINC000418109781 237285456 /nfs/dbraw/zinc/28/54/56/237285456.db2.gz ACVHVZPBTAHKEQ-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])c(C)n1 ZINC000297094819 200083788 /nfs/dbraw/zinc/08/37/88/200083788.db2.gz KVOHVRVKKXQQBI-UHFFFAOYSA-N 1 0 270.358 2.127 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000578964807 366572176 /nfs/dbraw/zinc/57/21/76/366572176.db2.gz SZYUXTZPQPVVQW-JTQLQIEISA-N 1 0 282.319 2.271 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000579108196 366594108 /nfs/dbraw/zinc/59/41/08/366594108.db2.gz FSQHVVWCXXXGLM-UHFFFAOYSA-N 1 0 265.288 2.066 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579313525 366623691 /nfs/dbraw/zinc/62/36/91/366623691.db2.gz YQOMZLXKADIHOJ-AGIUHOORSA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1cc([N+](=O)[O-])cn(C[C@H]2CCCC[N@H+]2C(C)C)c1=O ZINC000339114704 366659755 /nfs/dbraw/zinc/65/97/55/366659755.db2.gz UGPFJOOKGNWDKH-CYBMUJFWSA-N 1 0 293.367 2.328 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236964378 370666863 /nfs/dbraw/zinc/66/68/63/370666863.db2.gz GFWOFEBGTNCDNC-CYBMUJFWSA-N 1 0 293.367 2.260 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(O)CCSC1 ZINC000176750649 189007567 /nfs/dbraw/zinc/00/75/67/189007567.db2.gz OFFKCRSCSKKNIH-KQIUPUNMSA-N 1 0 294.376 2.066 20 5 CEBDRO COCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177024250 189021625 /nfs/dbraw/zinc/02/16/25/189021625.db2.gz LGEDZMWIDRSKTH-UHFFFAOYSA-N 1 0 279.296 2.204 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453373574 283540776 /nfs/dbraw/zinc/54/07/76/283540776.db2.gz SKRKXWNQSAQQSK-OUCADQQQSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397949 283552590 /nfs/dbraw/zinc/55/25/90/283552590.db2.gz KFIXXGXCXQFBJW-ABAIWWIYSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000453400691 283554262 /nfs/dbraw/zinc/55/42/62/283554262.db2.gz CRJTVVOOGSPLSC-MPKXVKKWSA-N 1 0 264.325 2.467 20 5 CEBDRO C[NH2+]CCCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178351391 189109021 /nfs/dbraw/zinc/10/90/21/189109021.db2.gz UICCNSJGUAMIMM-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178591169 189128927 /nfs/dbraw/zinc/12/89/27/189128927.db2.gz QJUWFQZXZTWZSR-NSHDSACASA-N 1 0 293.323 2.088 20 5 CEBDRO C[C@H](CN(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342223657 216267587 /nfs/dbraw/zinc/26/75/87/216267587.db2.gz IQSYBPDQAGWWON-WAFBPQNNSA-N 1 0 263.341 2.148 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241512 216274733 /nfs/dbraw/zinc/27/47/33/216274733.db2.gz ZSFWGFKXZNFDJW-RKDXNWHRSA-N 1 0 272.251 2.347 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342327515 216311016 /nfs/dbraw/zinc/31/10/16/216311016.db2.gz AXQHCMUUAIKLGO-BDAKNGLRSA-N 1 0 256.277 2.247 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182226653 189317740 /nfs/dbraw/zinc/31/77/40/189317740.db2.gz CECHDQWGRVIKPP-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000183361709 189356449 /nfs/dbraw/zinc/35/64/49/189356449.db2.gz ZRMCZIWFEOJNSV-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H](C)O ZINC000183355138 189356725 /nfs/dbraw/zinc/35/67/25/189356725.db2.gz ADMAZXYLSVONQS-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000019476571 361536622 /nfs/dbraw/zinc/53/66/22/361536622.db2.gz CSEGGGPRAIZKRN-LLVKDONJSA-N 1 0 265.313 2.215 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000302103064 201340705 /nfs/dbraw/zinc/34/07/05/201340705.db2.gz MBZNDOZKPQBMGR-ZDUSSCGKSA-N 1 0 293.371 2.307 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc1 ZINC000302144819 201363010 /nfs/dbraw/zinc/36/30/10/201363010.db2.gz GYYYRUZHPCZQRS-LBPRGKRZSA-N 1 0 291.355 2.061 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089164943 363944363 /nfs/dbraw/zinc/94/43/63/363944363.db2.gz FQIYHTXUGFWBOU-GXTWGEPZSA-N 1 0 264.325 2.154 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093861301 364234505 /nfs/dbraw/zinc/23/45/05/364234505.db2.gz BCDQUMCCWCGHCZ-UHFFFAOYSA-N 1 0 251.330 2.012 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000093991132 364245962 /nfs/dbraw/zinc/24/59/62/364245962.db2.gz XMPXEKGFERIYDQ-STQMWFEESA-N 1 0 291.351 2.116 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cccc(C)c1[N+](=O)[O-])C(C)C ZINC000102481266 364597713 /nfs/dbraw/zinc/59/77/13/364597713.db2.gz GXRALWPQHADEKY-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655270 364908032 /nfs/dbraw/zinc/90/80/32/364908032.db2.gz DXDHHFXNYVHXDQ-AAEUAGOBSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191978 366877938 /nfs/dbraw/zinc/87/79/38/366877938.db2.gz SKCUJASBPYXVOQ-GXFFZTMASA-N 1 0 263.341 2.122 20 5 CEBDRO C[C@H](SCC[NH+](C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120238813 365394354 /nfs/dbraw/zinc/39/43/54/365394354.db2.gz CNVJLJJPPYTOEK-JTQLQIEISA-N 1 0 297.380 2.217 20 5 CEBDRO O=C(CC[NH2+]C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000582601820 366932530 /nfs/dbraw/zinc/93/25/30/366932530.db2.gz XVIXYNJLHCUPFX-UHFFFAOYSA-N 1 0 263.297 2.066 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000340861369 367064160 /nfs/dbraw/zinc/06/41/60/367064160.db2.gz ARTBFBYOEFTRQM-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C ZINC000340919338 367088843 /nfs/dbraw/zinc/08/88/43/367088843.db2.gz RRZIAZYKHYCQOG-GFCCVEGCSA-N 1 0 296.371 2.019 20 5 CEBDRO Cc1nc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000161544591 367095775 /nfs/dbraw/zinc/09/57/75/367095775.db2.gz YYQMVBPMMVGNTE-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000584520293 367167510 /nfs/dbraw/zinc/16/75/10/367167510.db2.gz NVWAGKJCTJUFRA-WDEREUQCSA-N 1 0 286.335 2.330 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000586768186 367188249 /nfs/dbraw/zinc/18/82/49/367188249.db2.gz ZCDXVXYRSPECEK-SNVBAGLBSA-N 1 0 299.321 2.399 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215692 367224194 /nfs/dbraw/zinc/22/41/94/367224194.db2.gz UNMPYLKTFWLCNF-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467113 367242332 /nfs/dbraw/zinc/24/23/32/367242332.db2.gz BRCUIGSYZHAOPC-AAEUAGOBSA-N 1 0 263.341 2.012 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171949311 367645821 /nfs/dbraw/zinc/64/58/21/367645821.db2.gz BJWJWWSXPLRAEJ-SNVBAGLBSA-N 1 0 279.340 2.172 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172621687 367789872 /nfs/dbraw/zinc/78/98/72/367789872.db2.gz ZSCJTPTVTUVVKY-KOLCDFICSA-N 1 0 297.380 2.211 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343439096 367815742 /nfs/dbraw/zinc/81/57/42/367815742.db2.gz IWYNEVFAVHLLCF-FZMZJTMJSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343550750 367878721 /nfs/dbraw/zinc/87/87/21/367878721.db2.gz LBVLBWKYUORYQS-QWHCGFSZSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1ccnc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343473761 367836038 /nfs/dbraw/zinc/83/60/38/367836038.db2.gz LDCZBHIAQWMQFO-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO COC[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245219 368001281 /nfs/dbraw/zinc/00/12/81/368001281.db2.gz LMSZFQBIVSIQBT-LBPRGKRZSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1csc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000174866457 368073598 /nfs/dbraw/zinc/07/35/98/368073598.db2.gz QHFMQAAHZDHYAE-UHFFFAOYSA-N 1 0 295.368 2.081 20 5 CEBDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427036 368381783 /nfs/dbraw/zinc/38/17/83/368381783.db2.gz PQJSUMGAAUVKSA-NWDGAFQWSA-N 1 0 293.367 2.406 20 5 CEBDRO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816332 368497168 /nfs/dbraw/zinc/49/71/68/368497168.db2.gz HKCCOIKZIKTUFH-LBPRGKRZSA-N 1 0 293.367 2.470 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183458667 368627952 /nfs/dbraw/zinc/62/79/52/368627952.db2.gz FCGVPVRWVKCCDU-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338680 368642223 /nfs/dbraw/zinc/64/22/23/368642223.db2.gz RTZLZVDSFJFWJQ-BIHWCFTKSA-N 1 0 288.347 2.311 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246160419 370918859 /nfs/dbraw/zinc/91/88/59/370918859.db2.gz QKJXKNAAWCYVEV-CHWSQXEVSA-N 1 0 296.396 2.151 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000346692393 368774691 /nfs/dbraw/zinc/77/46/91/368774691.db2.gz YSAWHPNUNURQIQ-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185499475 368815959 /nfs/dbraw/zinc/81/59/59/368815959.db2.gz PGKAEPVQNFFGPS-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346767179 368789494 /nfs/dbraw/zinc/78/94/94/368789494.db2.gz ICHYBQHXXXEYEL-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185827207 368868950 /nfs/dbraw/zinc/86/89/50/368868950.db2.gz OVVNQWWXKIIAGI-AAOUONPWSA-N 1 0 280.324 2.020 20 5 CEBDRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186775761 369040049 /nfs/dbraw/zinc/04/00/49/369040049.db2.gz ZHHQLALUGQOXHB-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000348557361 369088740 /nfs/dbraw/zinc/08/87/40/369088740.db2.gz QJWGQHXBUGUYHO-ZWXLGZMVSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000348861270 369183000 /nfs/dbraw/zinc/18/30/00/369183000.db2.gz GYJGAKYGTNKLPU-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO COc1ccc(C[NH2+]C(C)(C)CF)cc1[N+](=O)[O-] ZINC000349824599 369412074 /nfs/dbraw/zinc/41/20/74/369412074.db2.gz ZRBXHZLXFYOUCC-UHFFFAOYSA-N 1 0 256.277 2.441 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000227920312 189789626 /nfs/dbraw/zinc/78/96/26/189789626.db2.gz VKLPYKOYBNXLGM-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332785 369498788 /nfs/dbraw/zinc/49/87/88/369498788.db2.gz SVFWZKMDGWBPQQ-VTGPQGOBSA-N 1 0 276.336 2.357 20 5 CEBDRO CO[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189285006 369489462 /nfs/dbraw/zinc/48/94/62/369489462.db2.gz HIOFTXZJUYPNJA-FZMZJTMJSA-N 1 0 264.325 2.452 20 5 CEBDRO COCC[N@H+](C)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000189429174 369516641 /nfs/dbraw/zinc/51/66/41/369516641.db2.gz XQTCGBFISDTJLI-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000189738988 369565339 /nfs/dbraw/zinc/56/53/39/369565339.db2.gz LKECSDPFFWJKFQ-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407532 369716134 /nfs/dbraw/zinc/71/61/34/369716134.db2.gz VDNRVXVTKSUILO-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000352416676 369721305 /nfs/dbraw/zinc/72/13/05/369721305.db2.gz IHZYHUJUHGVAAX-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])s1 ZINC000192488929 369818745 /nfs/dbraw/zinc/81/87/45/369818745.db2.gz QOTTZCMGYCOJFT-UHFFFAOYSA-N 1 0 296.352 2.213 20 5 CEBDRO COc1cc(C[N@H+](C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000352555245 369784849 /nfs/dbraw/zinc/78/48/49/369784849.db2.gz KVWXAEJHVBLWFZ-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCCO ZINC000192907736 369870700 /nfs/dbraw/zinc/87/07/00/369870700.db2.gz VGDWFWLMDIBTAE-UHFFFAOYSA-N 1 0 282.340 2.246 20 5 CEBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000193389975 369937416 /nfs/dbraw/zinc/93/74/16/369937416.db2.gz XSVRNHOPJRWOFE-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO CCn1ncnc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193488831 369947039 /nfs/dbraw/zinc/94/70/39/369947039.db2.gz TUHYODLYCWDRPR-SNVBAGLBSA-N 1 0 275.312 2.057 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000194643436 370060928 /nfs/dbraw/zinc/06/09/28/370060928.db2.gz WKGXBYSKISMTHW-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195508713 370134974 /nfs/dbraw/zinc/13/49/74/370134974.db2.gz MYJCEGFIPILKMG-VIFPVBQESA-N 1 0 270.358 2.338 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889876 370228311 /nfs/dbraw/zinc/22/83/11/370228311.db2.gz WYFLWYDSIGQTRC-WCBMZHEXSA-N 1 0 256.327 2.313 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000070148868 291494441 /nfs/dbraw/zinc/49/44/41/291494441.db2.gz ALMAZBQQDQAHMZ-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000354433220 370361269 /nfs/dbraw/zinc/36/12/69/370361269.db2.gz APLUNQYFHIHEFK-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1cnc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000227307417 370366678 /nfs/dbraw/zinc/36/66/78/370366678.db2.gz FCHDEMYXDRTZFP-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227346985 370367285 /nfs/dbraw/zinc/36/72/85/370367285.db2.gz OFCCCWYWUQQDGD-UHFFFAOYSA-N 1 0 258.343 2.295 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000227344610 370368078 /nfs/dbraw/zinc/36/80/78/370368078.db2.gz KALRLVOLIZRMBD-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715811 370382675 /nfs/dbraw/zinc/38/26/75/370382675.db2.gz RWPYRSGTSVKYQQ-DGCLKSJQSA-N 1 0 282.340 2.215 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000227959490 370389437 /nfs/dbraw/zinc/38/94/37/370389437.db2.gz NRJLKGRVYVORFX-NSHDSACASA-N 1 0 252.314 2.154 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000287303865 376200983 /nfs/dbraw/zinc/20/09/83/376200983.db2.gz JDZLUOWDZOPVIG-JTQLQIEISA-N 1 0 270.304 2.327 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000231399202 370479513 /nfs/dbraw/zinc/47/95/13/370479513.db2.gz HYJZOGKAXKWSHE-UHFFFAOYSA-N 1 0 282.340 2.102 20 5 CEBDRO C[N@H+](CCCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000231730113 370492073 /nfs/dbraw/zinc/49/20/73/370492073.db2.gz YMNFDISACNCZPU-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235631885 370571059 /nfs/dbraw/zinc/57/10/59/370571059.db2.gz ALNJUQSWXDIPDA-GXFFZTMASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1sc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236696058 370610170 /nfs/dbraw/zinc/61/01/70/370610170.db2.gz BORKTCLIXGDLFZ-ZDUSSCGKSA-N 1 0 299.396 2.458 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249528147 371331450 /nfs/dbraw/zinc/33/14/50/371331450.db2.gz AFAMZDGKFBJNBN-FZMZJTMJSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251269603 371399579 /nfs/dbraw/zinc/39/95/79/371399579.db2.gz NRFRNATXAIQSBD-XQQFMLRXSA-N 1 0 275.352 2.482 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](C)O ZINC000361008805 371596408 /nfs/dbraw/zinc/59/64/08/371596408.db2.gz HHYMVISRRBAOCC-SEVUFMINSA-N 1 0 264.325 2.311 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(O)CCSC1 ZINC000255906380 371598322 /nfs/dbraw/zinc/59/83/22/371598322.db2.gz OFFKCRSCSKKNIH-PKXJPQMGSA-N 1 0 294.376 2.066 20 5 CEBDRO CCc1cnccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361133659 371670533 /nfs/dbraw/zinc/67/05/33/371670533.db2.gz YVISBZPOSSAUQE-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000261743269 371717323 /nfs/dbraw/zinc/71/73/23/371717323.db2.gz SIBBNBMQVSJIGB-WDBKCZKBSA-N 1 0 293.342 2.293 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361239660 371733367 /nfs/dbraw/zinc/73/33/67/371733367.db2.gz WUSPXAWWZJNPGU-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000361152111 371683096 /nfs/dbraw/zinc/68/30/96/371683096.db2.gz HZXDHLUXZXOPDG-QWHCGFSZSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@]1(F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337315189 214001496 /nfs/dbraw/zinc/00/14/96/214001496.db2.gz JBHKPZCMACUTPR-AWEZNQCLSA-N 1 0 295.314 2.357 20 5 CEBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000361482364 371868769 /nfs/dbraw/zinc/86/87/69/371868769.db2.gz XDHHNWNNKMZWOL-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000361652207 372004663 /nfs/dbraw/zinc/00/46/63/372004663.db2.gz FLAWMQLXUXXJQD-GXSJLCMTSA-N 1 0 284.743 2.308 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344343437 217160670 /nfs/dbraw/zinc/16/06/70/217160670.db2.gz CNWNACPQRAOKBC-JSGCOSHPSA-N 1 0 277.368 2.476 20 5 CEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000362575508 372434547 /nfs/dbraw/zinc/43/45/47/372434547.db2.gz KKKQNQCXQNPIHC-UHFFFAOYSA-N 1 0 282.319 2.070 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692217 372536460 /nfs/dbraw/zinc/53/64/60/372536460.db2.gz IVWPCZOOXDLFGR-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000269680430 372531864 /nfs/dbraw/zinc/53/18/64/372531864.db2.gz YAPOJPSJMBWOTF-AWEZNQCLSA-N 1 0 264.325 2.360 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC1 ZINC000344811662 217319758 /nfs/dbraw/zinc/31/97/58/217319758.db2.gz MKYKACUTAUZNEU-HJTPGIPUSA-N 1 0 262.309 2.377 20 5 CEBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000366617513 373093102 /nfs/dbraw/zinc/09/31/02/373093102.db2.gz DNRMHSUJNMHTJX-YIONKMFJSA-N 1 0 276.336 2.473 20 5 CEBDRO CC(C)n1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000289777062 197480240 /nfs/dbraw/zinc/48/02/40/197480240.db2.gz PTDADLSJXJAZOW-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000271187081 373168236 /nfs/dbraw/zinc/16/82/36/373168236.db2.gz NSFTVRJWEMFCDG-UONOGXRCSA-N 1 0 275.352 2.087 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272068292 373291595 /nfs/dbraw/zinc/29/15/95/373291595.db2.gz DWAQICWQZAFHBA-BXUZGUMPSA-N 1 0 293.367 2.358 20 5 CEBDRO CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000272531231 373535446 /nfs/dbraw/zinc/53/54/46/373535446.db2.gz JGBBZDAASVYROV-CYBMUJFWSA-N 1 0 289.339 2.305 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272515622 373528817 /nfs/dbraw/zinc/52/88/17/373528817.db2.gz GTRMKUMYXLAOKE-GVXVVHGQSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000272765859 373649688 /nfs/dbraw/zinc/64/96/88/373649688.db2.gz DGANFCNWMAPAFE-LLVKDONJSA-N 1 0 252.314 2.452 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000272648132 373599413 /nfs/dbraw/zinc/59/94/13/373599413.db2.gz DUIYFCPDZHXXPK-GXTWGEPZSA-N 1 0 296.367 2.167 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000371152188 373803652 /nfs/dbraw/zinc/80/36/52/373803652.db2.gz UJIQGOVDRQZROR-LBPRGKRZSA-N 1 0 292.335 2.226 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000274304689 373872049 /nfs/dbraw/zinc/87/20/49/373872049.db2.gz VBQZUZXRODJEAM-NSHDSACASA-N 1 0 294.355 2.283 20 5 CEBDRO CCOc1cc(CN2CCOC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000372812716 374202806 /nfs/dbraw/zinc/20/28/06/374202806.db2.gz QXNFDSNHYKRIGK-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000276854767 374325600 /nfs/dbraw/zinc/32/56/00/374325600.db2.gz AKXVIKDALSPJBA-UHFFFAOYSA-N 1 0 252.314 2.357 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854730 374325694 /nfs/dbraw/zinc/32/56/94/374325694.db2.gz FGJVAUDXQXBKCV-OCCSQVGLSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[S@@](=O)C[C@H](C)C1 ZINC000277581105 374570082 /nfs/dbraw/zinc/57/00/82/374570082.db2.gz VUCHFKBZRQHFRQ-FKANQGBASA-N 1 0 296.392 2.356 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000277631602 374586097 /nfs/dbraw/zinc/58/60/97/374586097.db2.gz CFQRYXJLLXVMPV-WCBMZHEXSA-N 1 0 256.327 2.171 20 5 CEBDRO COc1cc(C[NH2+]C2CC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000277675690 374606122 /nfs/dbraw/zinc/60/61/22/374606122.db2.gz PGTFHGDMYLOZBL-UHFFFAOYSA-N 1 0 288.250 2.196 20 5 CEBDRO Cc1cnc(N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000277829012 374659473 /nfs/dbraw/zinc/65/94/73/374659473.db2.gz RBGOCIUOXPZGLY-UHFFFAOYSA-N 1 0 266.345 2.075 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000278399861 374805308 /nfs/dbraw/zinc/80/53/08/374805308.db2.gz FOOBPQSPNJMSJR-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)C[NH3+] ZINC000380329056 375161813 /nfs/dbraw/zinc/16/18/13/375161813.db2.gz QTXQOPCRNLNDSX-QMTHXVAHSA-N 1 0 281.331 2.151 20 5 CEBDRO C[C@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000382971194 375195311 /nfs/dbraw/zinc/19/53/11/375195311.db2.gz QTVIUXAYQOAJBB-NSHDSACASA-N 1 0 266.341 2.229 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384799683 375217204 /nfs/dbraw/zinc/21/72/04/375217204.db2.gz XPISYNZCJJAASC-UHFFFAOYSA-N 1 0 269.732 2.170 20 5 CEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000281801023 375396294 /nfs/dbraw/zinc/39/62/94/375396294.db2.gz SZOOBRQZYZTYST-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO COC[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282488784 375497617 /nfs/dbraw/zinc/49/76/17/375497617.db2.gz PQBSHJNMJJBLHG-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccno1 ZINC000282503605 375501408 /nfs/dbraw/zinc/50/14/08/375501408.db2.gz RDZWCEJBCWPZEF-UHFFFAOYSA-N 1 0 261.281 2.257 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283106413 375657134 /nfs/dbraw/zinc/65/71/34/375657134.db2.gz MBRBYDRNAKDPCS-NSHDSACASA-N 1 0 296.298 2.261 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000283280040 375686023 /nfs/dbraw/zinc/68/60/23/375686023.db2.gz XEQKTMBQJFOOSM-FZMZJTMJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413114566 375774760 /nfs/dbraw/zinc/77/47/60/375774760.db2.gz DYJMZQQROABXNT-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531712 375839877 /nfs/dbraw/zinc/83/98/77/375839877.db2.gz SCPCZIABWACTDU-DOMZBBRYSA-N 1 0 296.367 2.489 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286267240 375891853 /nfs/dbraw/zinc/89/18/53/375891853.db2.gz NLXZJWAJAFXSTA-QMMMGPOBSA-N 1 0 295.368 2.352 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000414651979 375900540 /nfs/dbraw/zinc/90/05/40/375900540.db2.gz CNLZKAVLQWXEOG-CMPLNLGQSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000414652672 375902940 /nfs/dbraw/zinc/90/29/40/375902940.db2.gz DRNBUULHTKXXOB-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286299284 375904624 /nfs/dbraw/zinc/90/46/24/375904624.db2.gz CJJZIFHTIAYQBE-YERCRUGSSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414660030 375906607 /nfs/dbraw/zinc/90/66/07/375906607.db2.gz NWFWGWBHYBLZBP-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414581698 375866654 /nfs/dbraw/zinc/86/66/54/375866654.db2.gz RCKPLBPKTUUMKS-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)C[C@H]([NH3+])CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000414769490 375958625 /nfs/dbraw/zinc/95/86/25/375958625.db2.gz WQRFZLJRFUQSCS-AWEZNQCLSA-N 1 0 279.384 2.443 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414693727 375922449 /nfs/dbraw/zinc/92/24/49/375922449.db2.gz FGBRQJFKJFMUJX-KOLCDFICSA-N 1 0 292.339 2.165 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286616693 376013905 /nfs/dbraw/zinc/01/39/05/376013905.db2.gz RUIZTSQXJGPCIQ-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCCC1 ZINC000287019157 376131299 /nfs/dbraw/zinc/13/12/99/376131299.db2.gz QCNGUDSAIMIDCN-UHFFFAOYSA-N 1 0 253.277 2.242 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000287431201 376231578 /nfs/dbraw/zinc/23/15/78/376231578.db2.gz POSMWKSPYGDAEC-LLVKDONJSA-N 1 0 252.314 2.188 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305760143 376476459 /nfs/dbraw/zinc/47/64/59/376476459.db2.gz JKPICXRDPYIFSV-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000289706895 376456524 /nfs/dbraw/zinc/45/65/24/376456524.db2.gz FEMPKNHTCOXLCQ-GFCCVEGCSA-N 1 0 265.357 2.413 20 5 CEBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263801518 190079586 /nfs/dbraw/zinc/07/95/86/190079586.db2.gz ZGROPQBGCWBOST-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC1CC[NH+](C)CC1 ZINC000264447270 190109880 /nfs/dbraw/zinc/10/98/80/190109880.db2.gz HDOPVWGUGMQOEV-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290077381 376633262 /nfs/dbraw/zinc/63/32/62/376633262.db2.gz IQSYBPDQAGWWON-WMADIVHISA-N 1 0 263.341 2.148 20 5 CEBDRO CC(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420243309 376652132 /nfs/dbraw/zinc/65/21/32/376652132.db2.gz WSJDQDXJFKXFKY-GFCCVEGCSA-N 1 0 277.324 2.351 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000312707539 376727541 /nfs/dbraw/zinc/72/75/41/376727541.db2.gz SIQOJKFOYUELMX-ZIAGYGMSSA-N 1 0 278.352 2.483 20 5 CEBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000559761203 376691952 /nfs/dbraw/zinc/69/19/52/376691952.db2.gz YHCLYCACVCQVIO-UHFFFAOYSA-N 1 0 277.368 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCOC2)c(F)c1 ZINC000311958027 376696389 /nfs/dbraw/zinc/69/63/89/376696389.db2.gz ISJQUNPLOCLILB-JTQLQIEISA-N 1 0 268.288 2.250 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000290512410 376812367 /nfs/dbraw/zinc/81/23/67/376812367.db2.gz FKACNEWHAQFGNX-JTQLQIEISA-N 1 0 266.345 2.319 20 5 CEBDRO C[C@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290732608 376901092 /nfs/dbraw/zinc/90/10/92/376901092.db2.gz GCNWCOVOOMCKEE-GXSJLCMTSA-N 1 0 276.340 2.214 20 5 CEBDRO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017031 376932286 /nfs/dbraw/zinc/93/22/86/376932286.db2.gz NUJQJKYBSOASLB-NTZNESFSSA-N 1 0 263.341 2.386 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000290856748 376955683 /nfs/dbraw/zinc/95/56/83/376955683.db2.gz BEBUMUIYGNVGHT-SECBINFHSA-N 1 0 285.369 2.115 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330579210 377192166 /nfs/dbraw/zinc/19/21/66/377192166.db2.gz ICIHECCDXWNSND-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CCC[NH2+]1)CCC2 ZINC000423245882 377165673 /nfs/dbraw/zinc/16/56/73/377165673.db2.gz YXGLDKCDBUFBFR-DOMZBBRYSA-N 1 0 275.352 2.314 20 5 CEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C2CCC2)C1 ZINC000292379048 377241530 /nfs/dbraw/zinc/24/15/30/377241530.db2.gz SPIJKDFYQMUQHS-GFCCVEGCSA-N 1 0 290.367 2.300 20 5 CEBDRO CC[C@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313388 377242990 /nfs/dbraw/zinc/24/29/90/377242990.db2.gz FRKSBWZTQIVNES-KBPBESRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CCC[NH2+]CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423316876 377245499 /nfs/dbraw/zinc/24/54/99/377245499.db2.gz YJEFDNVHCOBVTA-GFCCVEGCSA-N 1 0 265.357 2.115 20 5 CEBDRO [NH3+][C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332335 377263053 /nfs/dbraw/zinc/26/30/53/377263053.db2.gz UZGFHGAFLVDUJQ-LSDHHAIUSA-N 1 0 275.352 2.299 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCO1 ZINC000563638712 377271563 /nfs/dbraw/zinc/27/15/63/377271563.db2.gz SCDXNFCYGKKELG-ZWNOBZJWSA-N 1 0 262.309 2.351 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000332234392 377548155 /nfs/dbraw/zinc/54/81/55/377548155.db2.gz PLHGXVBLOCOLKE-SUHUHFCYSA-N 1 0 294.326 2.327 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293481267 377585873 /nfs/dbraw/zinc/58/58/73/377585873.db2.gz REPKRMDWILFOEM-LBPRGKRZSA-N 1 0 293.367 2.161 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293525723 377609777 /nfs/dbraw/zinc/60/97/77/377609777.db2.gz WLJDMPXEMFQDJW-GHMZBOCLSA-N 1 0 280.324 2.322 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CCCO)cs1 ZINC000332653100 377654645 /nfs/dbraw/zinc/65/46/45/377654645.db2.gz MRCWNKPSXDSEDG-LLVKDONJSA-N 1 0 270.354 2.393 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC1(C)C ZINC000293577559 377638389 /nfs/dbraw/zinc/63/83/89/377638389.db2.gz DTLPWJUEBWQMGW-ZDUSSCGKSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1nn(CC[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000565769384 377695025 /nfs/dbraw/zinc/69/50/25/377695025.db2.gz HBVCLMCNQBPOEM-NSHDSACASA-N 1 0 274.324 2.253 20 5 CEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C4CC4)CC3)ccnc21 ZINC000432333799 377745970 /nfs/dbraw/zinc/74/59/70/377745970.db2.gz HHKAHNXEFSWUAM-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000438023662 377878449 /nfs/dbraw/zinc/87/84/49/377878449.db2.gz MGHQKILRROPNHB-OKILXGFUSA-N 1 0 275.352 2.230 20 5 CEBDRO C[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000437578331 377852955 /nfs/dbraw/zinc/85/29/55/377852955.db2.gz OAEQCJXNWXBSBR-GFCCVEGCSA-N 1 0 264.325 2.453 20 5 CEBDRO COC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537616 378114237 /nfs/dbraw/zinc/11/42/37/378114237.db2.gz XGIKWBNKNNJFBU-AGIUHOORSA-N 1 0 296.371 2.147 20 5 CEBDRO C[C@@]1(F)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295325309 378106794 /nfs/dbraw/zinc/10/67/94/378106794.db2.gz GWYCXIWEQZNVFW-ZIAGYGMSSA-N 1 0 282.315 2.452 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000450350002 378370741 /nfs/dbraw/zinc/37/07/41/378370741.db2.gz QBKHHTXTIXZTFV-WCQYABFASA-N 1 0 278.356 2.156 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000450476694 378439363 /nfs/dbraw/zinc/43/93/63/378439363.db2.gz QWQYMFWNFYHXJQ-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296562005 378575803 /nfs/dbraw/zinc/57/58/03/378575803.db2.gz CNEWBGVTDZEVMG-HNNXBMFYSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000296444394 378534772 /nfs/dbraw/zinc/53/47/72/378534772.db2.gz WRGDQISWEOTJTF-BXUZGUMPSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000296737178 378633521 /nfs/dbraw/zinc/63/35/21/378633521.db2.gz OPHSFBUXBAHAMA-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO COCC(COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366048 378876485 /nfs/dbraw/zinc/87/64/85/378876485.db2.gz WVQMLHZSSNNMMS-OAHLLOKOSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993800 218083655 /nfs/dbraw/zinc/08/36/55/218083655.db2.gz AVCRZMQZIHLGLR-HRLNJXSSSA-N 1 0 275.352 2.277 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000453600366 378918706 /nfs/dbraw/zinc/91/87/06/378918706.db2.gz DTXWJZQKKCYTJQ-UHFFFAOYSA-N 1 0 293.367 2.361 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C[NH3+] ZINC000347025464 218096877 /nfs/dbraw/zinc/09/68/77/218096877.db2.gz SICFDECVVJZDPW-CQSZACIVSA-N 1 0 263.341 2.216 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000347102370 218121265 /nfs/dbraw/zinc/12/12/65/218121265.db2.gz KJWSYGWBVLVMDL-RYUDHWBXSA-N 1 0 293.367 2.176 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000347102375 218121543 /nfs/dbraw/zinc/12/15/43/218121543.db2.gz KJWSYGWBVLVMDL-TXEJJXNPSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347432804 218234001 /nfs/dbraw/zinc/23/40/01/218234001.db2.gz ORUHPJAHAHMOSB-SNVBAGLBSA-N 1 0 289.339 2.290 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000266642693 190272987 /nfs/dbraw/zinc/27/29/87/190272987.db2.gz UTSLEUAEXRHLAC-JTQLQIEISA-N 1 0 258.343 2.417 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772988 190279640 /nfs/dbraw/zinc/27/96/40/190279640.db2.gz KEFOSBNSPSCILS-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304314890 379553516 /nfs/dbraw/zinc/55/35/16/379553516.db2.gz KZGJKTNEQTZAMV-KBPBESRZSA-N 1 0 264.325 2.236 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H](C)O ZINC000267031127 190298270 /nfs/dbraw/zinc/29/82/70/190298270.db2.gz MQWJUVLUFWCPBG-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000305249080 379696775 /nfs/dbraw/zinc/69/67/75/379696775.db2.gz IRPBTUXIUILYMT-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525800448 379671835 /nfs/dbraw/zinc/67/18/35/379671835.db2.gz HRFXMKWBURQQIM-GFCCVEGCSA-N 1 0 293.367 2.035 20 5 CEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738899 380127621 /nfs/dbraw/zinc/12/76/21/380127621.db2.gz ZVUJQBNTFLVRJM-SCRDCRAPSA-N 1 0 290.367 2.156 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@](O)(C2CC2)C1 ZINC000489189134 380165834 /nfs/dbraw/zinc/16/58/34/380165834.db2.gz PKHHXCFNYUTJQD-CQSZACIVSA-N 1 0 280.299 2.081 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489436155 380189398 /nfs/dbraw/zinc/18/93/98/380189398.db2.gz LSXXLMVEGNBTCK-DOMZBBRYSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000540469196 380251808 /nfs/dbraw/zinc/25/18/08/380251808.db2.gz JFFUGUAGVDZBGC-SNVBAGLBSA-N 1 0 279.340 2.065 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481197 380253761 /nfs/dbraw/zinc/25/37/61/380253761.db2.gz WOVUVLPZFHWXDE-QWHCGFSZSA-N 1 0 294.351 2.441 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1(C)CCCC1 ZINC000490150723 380238423 /nfs/dbraw/zinc/23/84/23/380238423.db2.gz DMWUFIBZMLVMGB-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO [NH3+]CCN(Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000289747727 197469012 /nfs/dbraw/zinc/46/90/12/197469012.db2.gz IZWAWXKDBCLHEJ-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO Cc1ccnc(N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000575029027 299550791 /nfs/dbraw/zinc/55/07/91/299550791.db2.gz CTDGWSMASXCPQK-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1F ZINC000289411926 197334548 /nfs/dbraw/zinc/33/45/48/197334548.db2.gz BDILOQQRGQSHCX-CYBMUJFWSA-N 1 0 282.315 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000171831591 285122673 /nfs/dbraw/zinc/12/26/73/285122673.db2.gz XBDXOBXTLAYIKK-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000301062462 285124368 /nfs/dbraw/zinc/12/43/68/285124368.db2.gz BNUSVVRUJJBRAO-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000072089586 285130044 /nfs/dbraw/zinc/13/00/44/285130044.db2.gz DJVRHLOOHUBXNQ-AWEZNQCLSA-N 1 0 261.325 2.269 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000350350322 219009521 /nfs/dbraw/zinc/00/95/21/219009521.db2.gz FONFTPNGLKTSLH-LBPRGKRZSA-N 1 0 264.325 2.419 20 5 CEBDRO C[N@H+]1CC=C(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350284555 219004625 /nfs/dbraw/zinc/00/46/25/219004625.db2.gz BQJBQMAPWJYCKX-UHFFFAOYSA-N 1 0 279.315 2.085 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCF)CC1 ZINC000285881175 285163544 /nfs/dbraw/zinc/16/35/44/285163544.db2.gz FQXLAVMPYORXBN-UHFFFAOYSA-N 1 0 281.331 2.467 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000288586572 197120423 /nfs/dbraw/zinc/12/04/23/197120423.db2.gz JAXJPXJWJKOOBR-MISXGVKJSA-N 1 0 291.351 2.160 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000288441733 197079891 /nfs/dbraw/zinc/07/98/91/197079891.db2.gz OWLLTHWMXFKHMK-CYBMUJFWSA-N 1 0 292.383 2.488 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000094949203 184901685 /nfs/dbraw/zinc/90/16/85/184901685.db2.gz RKRDTHYPMSVJFJ-GFCCVEGCSA-N 1 0 266.341 2.401 20 5 CEBDRO C[N@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281816284 195392887 /nfs/dbraw/zinc/39/28/87/195392887.db2.gz LKUXPNKOMYPMDJ-UHFFFAOYSA-N 1 0 258.705 2.062 20 5 CEBDRO CSC1(CNc2ccc([N+](=O)[O-])nc2)CC[NH+](C)CC1 ZINC000357573288 533513217 /nfs/dbraw/zinc/51/32/17/533513217.db2.gz WBCZRNWNLLUMKL-UHFFFAOYSA-N 1 0 296.396 2.229 20 5 CEBDRO CSC1(CNc2ncccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357587231 533514084 /nfs/dbraw/zinc/51/40/84/533514084.db2.gz RUPZPCYUEYLHKY-UHFFFAOYSA-N 1 0 296.396 2.229 20 5 CEBDRO Cc1nc(N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189077861 129915701 /nfs/dbraw/zinc/91/57/01/129915701.db2.gz IOIXCALWKNELLM-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)cs1 ZINC000189958718 130043615 /nfs/dbraw/zinc/04/36/15/130043615.db2.gz FQYAHBPBEPPGIB-WDEREUQCSA-N 1 0 270.354 2.297 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000190290093 130085127 /nfs/dbraw/zinc/08/51/27/130085127.db2.gz IEAJJBHYZBCDQY-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO CC[C@H](NC(=O)CC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000193283399 130607268 /nfs/dbraw/zinc/60/72/68/130607268.db2.gz XLQDHFADANTZGF-GWCFXTLKSA-N 1 0 279.340 2.290 20 5 CEBDRO C[NH+](C)CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234223845 130934060 /nfs/dbraw/zinc/93/40/60/130934060.db2.gz GPQNOONODJQDEF-UHFFFAOYSA-N 1 0 292.261 2.372 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252733398 131138242 /nfs/dbraw/zinc/13/82/42/131138242.db2.gz ZEIDCQJEQBOXRM-XCJKDKRRSA-N 1 0 284.381 2.403 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301716741 394464461 /nfs/dbraw/zinc/46/44/61/394464461.db2.gz NLHBHCNYJAJFMT-JSGCOSHPSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1cc(N2CC([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302116167 394472833 /nfs/dbraw/zinc/47/28/33/394472833.db2.gz CUAFECFBSNNRPP-UHFFFAOYSA-N 1 0 286.335 2.202 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(F)c1 ZINC000413046393 394473910 /nfs/dbraw/zinc/47/39/10/394473910.db2.gz ZLOZEBXNQDGSPB-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413087838 394481010 /nfs/dbraw/zinc/48/10/10/394481010.db2.gz SSBOSSASTQTBDZ-UHFFFAOYSA-N 1 0 292.261 2.372 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000038087967 394498126 /nfs/dbraw/zinc/49/81/26/394498126.db2.gz MFORFEWTYKYCDG-WDEREUQCSA-N 1 0 251.330 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(NCC[NH+]3CCC3)c2c1 ZINC000413203281 394503927 /nfs/dbraw/zinc/50/39/27/394503927.db2.gz MLJWCPCICCUQIL-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO C[NH2+]CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414824138 394753092 /nfs/dbraw/zinc/75/30/92/394753092.db2.gz QBOBMDYHDFMQQW-UHFFFAOYSA-N 1 0 251.330 2.027 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272249947 394769597 /nfs/dbraw/zinc/76/95/97/394769597.db2.gz YBBGAANEJSETNB-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422781402 394779242 /nfs/dbraw/zinc/77/92/42/394779242.db2.gz IVEFXCKEHNLGPY-LBPRGKRZSA-N 1 0 291.351 2.002 20 5 CEBDRO CC[NH2+]CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422784880 394782655 /nfs/dbraw/zinc/78/26/55/394782655.db2.gz MPXPXRKNEANYFL-UHFFFAOYSA-N 1 0 279.340 2.058 20 5 CEBDRO Cc1cc(N2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122239729 394810284 /nfs/dbraw/zinc/81/02/84/394810284.db2.gz FKVUNAONTYXOJR-NSHDSACASA-N 1 0 273.292 2.022 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414717090 394749859 /nfs/dbraw/zinc/74/98/59/394749859.db2.gz XPPJYWZXKYTZLO-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCCC2)n1 ZINC000281866334 394865315 /nfs/dbraw/zinc/86/53/15/394865315.db2.gz NDKMQZDSHVGINR-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415052400 394865752 /nfs/dbraw/zinc/86/57/52/394865752.db2.gz LAXWDHSRZYCEHK-ZDUSSCGKSA-N 1 0 265.357 2.366 20 5 CEBDRO Cc1cc(N2CCC[N@@H+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000363298096 394875867 /nfs/dbraw/zinc/87/58/67/394875867.db2.gz ASCBAJOBQNVPSS-UHFFFAOYSA-N 1 0 292.383 2.466 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414961659 394827496 /nfs/dbraw/zinc/82/74/96/394827496.db2.gz BPPXYCBSXVJYAN-SNVBAGLBSA-N 1 0 269.370 2.134 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@H]1C ZINC000423366842 394902712 /nfs/dbraw/zinc/90/27/12/394902712.db2.gz QRAYLXLUCPDGMQ-BZPMIXESSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415302067 394919905 /nfs/dbraw/zinc/91/99/05/394919905.db2.gz TXFOSDXNTAVZHD-LLVKDONJSA-N 1 0 292.339 2.070 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000132282976 394928086 /nfs/dbraw/zinc/92/80/86/394928086.db2.gz CKLPLSGKYOEPPC-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480005 394929031 /nfs/dbraw/zinc/92/90/31/394929031.db2.gz VXBSHJNYJOXZMU-JQWIXIFHSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000285978352 394993809 /nfs/dbraw/zinc/99/38/09/394993809.db2.gz HOYNZNGHUAHNIL-JTQLQIEISA-N 1 0 297.380 2.308 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844645 395001360 /nfs/dbraw/zinc/00/13/60/395001360.db2.gz LWTTWWPXQXGAQJ-VIFPVBQESA-N 1 0 299.758 2.253 20 5 CEBDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856650 395003977 /nfs/dbraw/zinc/00/39/77/395003977.db2.gz XUJKMQPFAMWBRC-JTQLQIEISA-N 1 0 297.742 2.007 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415770951 394962740 /nfs/dbraw/zinc/96/27/40/394962740.db2.gz ZIIBCMRIBYHPCH-DTWKUNHWSA-N 1 0 280.328 2.014 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000340107592 394979240 /nfs/dbraw/zinc/97/92/40/394979240.db2.gz YTABNPWZCXSXRD-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494206626 395099748 /nfs/dbraw/zinc/09/97/48/395099748.db2.gz YIFPJYOILWMDDN-BXUZGUMPSA-N 1 0 280.324 2.131 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110258 395092213 /nfs/dbraw/zinc/09/22/13/395092213.db2.gz KROUDXPRTWNKPP-KJCWAXEUSA-N 1 0 287.363 2.292 20 5 CEBDRO C[C@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455510 395039121 /nfs/dbraw/zinc/03/91/21/395039121.db2.gz JDTSJYKZOIWQFY-IUCAKERBSA-N 1 0 295.368 2.199 20 5 CEBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000290696440 395114802 /nfs/dbraw/zinc/11/48/02/395114802.db2.gz MZLYKOWBJRVZQK-LLVKDONJSA-N 1 0 266.345 2.439 20 5 CEBDRO CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291822737 395169109 /nfs/dbraw/zinc/16/91/09/395169109.db2.gz ZIWJLIRPCOFGQR-JTQLQIEISA-N 1 0 290.266 2.057 20 5 CEBDRO CCC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291859959 395177443 /nfs/dbraw/zinc/17/74/43/395177443.db2.gz KDGIFHCQUOYLDT-CYBMUJFWSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)CC[C@H]1C ZINC000350003345 395178217 /nfs/dbraw/zinc/17/82/17/395178217.db2.gz ADONKDCJYPGHEV-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181055034 395208789 /nfs/dbraw/zinc/20/87/89/395208789.db2.gz MKCABWDLNVXPSP-OSMZGAPFSA-N 1 0 264.325 2.467 20 5 CEBDRO C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420328244 395329125 /nfs/dbraw/zinc/32/91/25/395329125.db2.gz FEDBWIQZRQITHL-QWRGUYRKSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000420355531 395342714 /nfs/dbraw/zinc/34/27/14/395342714.db2.gz BYZDODPAWUKGOX-UHIISALHSA-N 1 0 263.341 2.071 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420637843 395396908 /nfs/dbraw/zinc/39/69/08/395396908.db2.gz PBFHWPWEDUTOSM-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955222 395344734 /nfs/dbraw/zinc/34/47/34/395344734.db2.gz SHYUFXCCIKNLAF-NEPJUHHUSA-N 1 0 280.324 2.261 20 5 CEBDRO CC(C)[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000444774465 395454641 /nfs/dbraw/zinc/45/46/41/395454641.db2.gz WIIRKFZATHLZEJ-NSHDSACASA-N 1 0 266.345 2.196 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230416 395506826 /nfs/dbraw/zinc/50/68/26/395506826.db2.gz QEUGUAHZNRDFNM-VOKGJARPSA-N 1 0 275.352 2.279 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567867913 395537785 /nfs/dbraw/zinc/53/77/85/395537785.db2.gz ZFWBBBQPWHSXOF-GHMZBOCLSA-N 1 0 294.355 2.459 20 5 CEBDRO Cc1cc([N+](=O)[O-])cn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1=O ZINC000567915916 395542485 /nfs/dbraw/zinc/54/24/85/395542485.db2.gz BTRYFZGVQLPCCP-TXEJJXNPSA-N 1 0 293.367 2.043 20 5 CEBDRO CS[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566114957 395499658 /nfs/dbraw/zinc/49/96/58/395499658.db2.gz NPCYHJDMDGKVJR-SNVBAGLBSA-N 1 0 297.380 2.265 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850177 395500832 /nfs/dbraw/zinc/50/08/32/395500832.db2.gz WLPHZYAIJUGZTQ-DTWKUNHWSA-N 1 0 260.297 2.217 20 5 CEBDRO CS[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451320529 395606168 /nfs/dbraw/zinc/60/61/68/395606168.db2.gz LPJSBXMXKMUWRD-ZDUSSCGKSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)O ZINC000451362911 395610845 /nfs/dbraw/zinc/61/08/45/395610845.db2.gz AMIICXCKUSFQTG-SECBINFHSA-N 1 0 292.339 2.062 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449579484 395555234 /nfs/dbraw/zinc/55/52/34/395555234.db2.gz GOOUBSDTYTWVCF-KGLIPLIRSA-N 1 0 292.335 2.416 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000575084696 395646191 /nfs/dbraw/zinc/64/61/91/395646191.db2.gz ZKUNYWJYVFCKOQ-ABAIWWIYSA-N 1 0 298.346 2.283 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCOC2)n1 ZINC000343920067 296518840 /nfs/dbraw/zinc/51/88/40/296518840.db2.gz CSJLLQNGZRYWJD-RWMBFGLXSA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000376487944 292137187 /nfs/dbraw/zinc/13/71/87/292137187.db2.gz ZIXKROWDRCJMFM-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045706129 400158565 /nfs/dbraw/zinc/15/85/65/400158565.db2.gz XNMLSWAQFSREDY-LBPRGKRZSA-N 1 0 295.383 2.423 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063192879 400242373 /nfs/dbraw/zinc/24/23/73/400242373.db2.gz RJCBQOADRXOUKH-AAEUAGOBSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135924 400365304 /nfs/dbraw/zinc/36/53/04/400365304.db2.gz ZAIDVHVJMGRFTD-QWRGUYRKSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590568678 400614784 /nfs/dbraw/zinc/61/47/84/400614784.db2.gz JDXRTJWUZJJWDE-LDYMZIIASA-N 1 0 284.747 2.172 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960047 286226507 /nfs/dbraw/zinc/22/65/07/286226507.db2.gz NHVAQQRKPAEYDH-BYCMXARLSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825571 155381360 /nfs/dbraw/zinc/38/13/60/155381360.db2.gz OUMCGIGDLQCJHQ-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC[C@H]1CCOC1 ZINC000220761882 153305962 /nfs/dbraw/zinc/30/59/62/153305962.db2.gz ZADLEUHWNBASFW-LBPRGKRZSA-N 1 0 264.325 2.154 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825864 153350217 /nfs/dbraw/zinc/35/02/17/153350217.db2.gz FMOJILSTZHSLPE-OLZOCXBDSA-N 1 0 264.325 2.498 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830878 153350932 /nfs/dbraw/zinc/35/09/32/153350932.db2.gz BKKKKRGXGZATOD-CHWSQXEVSA-N 1 0 264.325 2.498 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cs1 ZINC000230667244 153397291 /nfs/dbraw/zinc/39/72/91/153397291.db2.gz AMUXYIREFOYAQD-ONGXEEELSA-N 1 0 270.354 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000230667345 153398632 /nfs/dbraw/zinc/39/86/32/153398632.db2.gz DBBUEVCQWRRIOI-JSGCOSHPSA-N 1 0 264.325 2.236 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667164 153399544 /nfs/dbraw/zinc/39/95/44/153399544.db2.gz DNMPIYFUUWYAGX-YPMHNXCESA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000261685809 153812110 /nfs/dbraw/zinc/81/21/10/153812110.db2.gz HEWNUAIJNVIHNT-SSDOTTSWSA-N 1 0 296.714 2.449 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000313281795 154209746 /nfs/dbraw/zinc/20/97/46/154209746.db2.gz CZOFIRKHHXRKEF-UHFFFAOYSA-N 1 0 283.376 2.119 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000367163072 156141464 /nfs/dbraw/zinc/14/14/64/156141464.db2.gz AFMRSFPTMVTMCG-NWDGAFQWSA-N 1 0 276.340 2.216 20 5 CEBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000368527490 156362784 /nfs/dbraw/zinc/36/27/84/156362784.db2.gz UFPVYJLVIBONIA-GFCCVEGCSA-N 1 0 296.302 2.044 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000375017933 157039914 /nfs/dbraw/zinc/03/99/14/157039914.db2.gz ICNMTZISKPSICQ-XJKSGUPXSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1sc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000375247606 157066354 /nfs/dbraw/zinc/06/63/54/157066354.db2.gz AMOYNAZNSLTPLD-ILWJIGKKSA-N 1 0 295.364 2.059 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000168698317 162369794 /nfs/dbraw/zinc/36/97/94/162369794.db2.gz REABOBSADOCRPE-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174874729 165117454 /nfs/dbraw/zinc/11/74/54/165117454.db2.gz YCDJIWOGKBKVAZ-LBPRGKRZSA-N 1 0 286.335 2.238 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000174876280 165117590 /nfs/dbraw/zinc/11/75/90/165117590.db2.gz ORISGIALUAEXIS-AAEUAGOBSA-N 1 0 264.329 2.056 20 5 CEBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285520 165159528 /nfs/dbraw/zinc/15/95/28/165159528.db2.gz OEYACTSCKRBGHX-NWDGAFQWSA-N 1 0 298.412 2.397 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251774389 287144769 /nfs/dbraw/zinc/14/47/69/287144769.db2.gz MOHCUTQHTGMYKD-UHIISALHSA-N 1 0 263.341 2.325 20 5 CEBDRO CCOCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254341 196014022 /nfs/dbraw/zinc/01/40/22/196014022.db2.gz VVBAFDYHRNMWCJ-SNVBAGLBSA-N 1 0 267.329 2.254 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005453083 170100147 /nfs/dbraw/zinc/10/01/47/170100147.db2.gz TXZKCMRBJMQJTJ-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000284364385 196040136 /nfs/dbraw/zinc/04/01/36/196040136.db2.gz WXUBDDGOSJCSDX-JTQLQIEISA-N 1 0 299.758 2.284 20 5 CEBDRO COC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508568 196072893 /nfs/dbraw/zinc/07/28/93/196072893.db2.gz IUXUVADMOFWJTR-AWEZNQCLSA-N 1 0 294.351 2.221 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026647 196181924 /nfs/dbraw/zinc/18/19/24/196181924.db2.gz HOTQNOMRMCNNKF-YGEYTSGZSA-N 1 0 279.340 2.155 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035648800 172325362 /nfs/dbraw/zinc/32/53/62/172325362.db2.gz SJMVFUJTGSVQDY-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394040 196271275 /nfs/dbraw/zinc/27/12/75/196271275.db2.gz WVSAKEBNHJSSGC-MRVPVSSYSA-N 1 0 289.282 2.109 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036332720 172617312 /nfs/dbraw/zinc/61/73/12/172617312.db2.gz DGUXNTFLWAJCFW-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285538591 196320164 /nfs/dbraw/zinc/32/01/64/196320164.db2.gz HKZHHFRYTUPGQO-CYBMUJFWSA-N 1 0 286.278 2.388 20 5 CEBDRO C[NH+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378922 173166814 /nfs/dbraw/zinc/16/68/14/173166814.db2.gz PMXLAEGEXCCQHZ-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000037502655 173239041 /nfs/dbraw/zinc/23/90/41/173239041.db2.gz QSVLYCGRTROAQH-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)nc1 ZINC000040433124 174260842 /nfs/dbraw/zinc/26/08/42/174260842.db2.gz IYOOQKOLQQKWFU-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040490594 174291667 /nfs/dbraw/zinc/29/16/67/174291667.db2.gz AMQSANDHXDDNSP-BREBYQMCSA-N 1 0 279.340 2.145 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591679 174346981 /nfs/dbraw/zinc/34/69/81/174346981.db2.gz LNBUIYMXWAUZLU-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746593 174392114 /nfs/dbraw/zinc/39/21/14/174392114.db2.gz DMABFVXCXVNJSN-NNQSOWQGSA-N 1 0 275.352 2.310 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044500169 175185468 /nfs/dbraw/zinc/18/54/68/175185468.db2.gz FOBKUYOOYYISOV-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000044538028 175200305 /nfs/dbraw/zinc/20/03/05/175200305.db2.gz WFHVRQLIGRNCDC-JTQLQIEISA-N 1 0 267.304 2.488 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000044572366 175209700 /nfs/dbraw/zinc/20/97/00/175209700.db2.gz KRLHUDARISVNRB-VIFPVBQESA-N 1 0 297.384 2.446 20 5 CEBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000286540244 196635853 /nfs/dbraw/zinc/63/58/53/196635853.db2.gz ZGHQKLHFGNPYRF-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000449276141 260343771 /nfs/dbraw/zinc/34/37/71/260343771.db2.gz AYRHJRTYDUKTGP-BZPMIXESSA-N 1 0 278.352 2.276 20 5 CEBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449534949 260702353 /nfs/dbraw/zinc/70/23/53/260702353.db2.gz CRSUUAKPRFNVMO-APPLLFRUSA-N 1 0 264.325 2.357 20 5 CEBDRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000444671068 261061554 /nfs/dbraw/zinc/06/15/54/261061554.db2.gz HYGORSJBWYUBAR-CYBMUJFWSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000514661250 266031991 /nfs/dbraw/zinc/03/19/91/266031991.db2.gz WKZOFXGOFZMRSR-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000194083585 270293042 /nfs/dbraw/zinc/29/30/42/270293042.db2.gz SOKQMOVMOMYUNG-CYBMUJFWSA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487620 270334270 /nfs/dbraw/zinc/33/42/70/270334270.db2.gz VEAINISZIVDHJV-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397354193 270353538 /nfs/dbraw/zinc/35/35/38/270353538.db2.gz DLVJLFRUUSXMLK-WOPDTQHZSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000398129637 270357280 /nfs/dbraw/zinc/35/72/80/270357280.db2.gz KCQGOHOBVJKWJY-WCBMZHEXSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642028 270360412 /nfs/dbraw/zinc/36/04/12/270360412.db2.gz XQFTYMOTDVDVQM-NWDGAFQWSA-N 1 0 264.325 2.045 20 5 CEBDRO [NH3+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420148538 270472984 /nfs/dbraw/zinc/47/29/84/270472984.db2.gz UCSNRWUXSCPXJH-GFCCVEGCSA-N 1 0 284.319 2.194 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000422756477 270754784 /nfs/dbraw/zinc/75/47/84/270754784.db2.gz LOHJNSCQHZDUMN-LLVKDONJSA-N 1 0 291.351 2.152 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425553468 271168564 /nfs/dbraw/zinc/16/85/64/271168564.db2.gz UNTISXFMHZKXPI-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000430207697 271363087 /nfs/dbraw/zinc/36/30/87/271363087.db2.gz RIYPLCKAAXHACC-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000430211746 271363364 /nfs/dbraw/zinc/36/33/64/271363364.db2.gz YPLPFMJCUAVPMD-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1c(CN[C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430598767 271398509 /nfs/dbraw/zinc/39/85/09/271398509.db2.gz PBHFLXNIVJVAOG-AWEZNQCLSA-N 1 0 265.357 2.366 20 5 CEBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+]4CCC3CC4)ccnc21 ZINC000432179073 271478014 /nfs/dbraw/zinc/47/80/14/271478014.db2.gz OXGPFJFTHCJRIM-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292445882 274118200 /nfs/dbraw/zinc/11/82/00/274118200.db2.gz YTGUSFYITLGGDB-HNNXBMFYSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263277562 274452430 /nfs/dbraw/zinc/45/24/30/274452430.db2.gz TVBSAMNBWZRGQA-GXTWGEPZSA-N 1 0 277.324 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000262586326 275036817 /nfs/dbraw/zinc/03/68/17/275036817.db2.gz ZUKJFXFRBUXURJ-VXGBXAGGSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000262586322 275037031 /nfs/dbraw/zinc/03/70/31/275037031.db2.gz ZUKJFXFRBUXURJ-NWDGAFQWSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000413081607 275038772 /nfs/dbraw/zinc/03/87/72/275038772.db2.gz FYSHGBRHTDDKGH-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000341701825 276108498 /nfs/dbraw/zinc/10/84/98/276108498.db2.gz PMUCIGFNUWKPOC-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359281107 276108591 /nfs/dbraw/zinc/10/85/91/276108591.db2.gz CTWRBALPSDICRJ-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078738706 276134254 /nfs/dbraw/zinc/13/42/54/276134254.db2.gz KTCUDEWSSYLDCB-UHFFFAOYSA-N 1 0 266.341 2.230 20 5 CEBDRO CCOc1cccc(N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273826222 276381299 /nfs/dbraw/zinc/38/12/99/276381299.db2.gz DZZLKFZQCSNSBS-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292678674 277072547 /nfs/dbraw/zinc/07/25/47/277072547.db2.gz DNIZYAQUKJVVEL-OAHLLOKOSA-N 1 0 290.367 2.099 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000375034508 277147113 /nfs/dbraw/zinc/14/71/13/277147113.db2.gz ARJCYQPIQUTOIN-ZWNOBZJWSA-N 1 0 279.315 2.264 20 5 CEBDRO COc1cccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000185210533 278015953 /nfs/dbraw/zinc/01/59/53/278015953.db2.gz BGOSKAXGKSYMTJ-UHFFFAOYSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248494120 278219180 /nfs/dbraw/zinc/21/91/80/278219180.db2.gz PPAHYBISQVJMBD-MHNGPXOMSA-N 1 0 270.354 2.012 20 5 CEBDRO C[C@@H]([NH2+]C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036319358 278336934 /nfs/dbraw/zinc/33/69/34/278336934.db2.gz REUKJLRDFTWKII-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374858 279387661 /nfs/dbraw/zinc/38/76/61/279387661.db2.gz WDVSLCXLQJTLCU-GHMZBOCLSA-N 1 0 289.339 2.113 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135217205 280324092 /nfs/dbraw/zinc/32/40/92/280324092.db2.gz BQDCFPPVDWDVPL-SMDDNHRTSA-N 1 0 291.351 2.245 20 5 CEBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000421683477 280900826 /nfs/dbraw/zinc/90/08/26/280900826.db2.gz DWTZOVIMAJEDPN-UHFFFAOYSA-N 1 0 297.380 2.259 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000421737522 280906660 /nfs/dbraw/zinc/90/66/60/280906660.db2.gz LEOAHSGZNFZIAK-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO Cc1c([C@H](C)N[C@@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433984 281040109 /nfs/dbraw/zinc/04/01/09/281040109.db2.gz CSKCJRXIGLUKMZ-DCAQKATOSA-N 1 0 251.330 2.290 20 5 CEBDRO Cc1c([C@H](C)N[C@H](C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433980 281040176 /nfs/dbraw/zinc/04/01/76/281040176.db2.gz CSKCJRXIGLUKMZ-AXFHLTTASA-N 1 0 251.330 2.290 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CC2)CC1 ZINC000301184395 281259991 /nfs/dbraw/zinc/25/99/91/281259991.db2.gz OOOZFVQJUOAARV-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000174871816 281288927 /nfs/dbraw/zinc/28/89/27/281288927.db2.gz NJYZUAVSWPKNCD-LBPRGKRZSA-N 1 0 295.368 2.163 20 5 CEBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000459810420 290247138 /nfs/dbraw/zinc/24/71/38/290247138.db2.gz UHTIKUIQOJXICX-GFCCVEGCSA-N 1 0 266.345 2.350 20 5 CEBDRO CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487983375 290371779 /nfs/dbraw/zinc/37/17/79/290371779.db2.gz UWIIEXKBFLECHL-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1[N+](=O)[O-] ZINC000488151768 290380667 /nfs/dbraw/zinc/38/06/67/290380667.db2.gz PRXZGTODWLZXGV-JTQLQIEISA-N 1 0 272.308 2.253 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876114 290580805 /nfs/dbraw/zinc/58/08/05/290580805.db2.gz RLIGKYTWUWTHQN-ZLKJLUDKSA-N 1 0 291.351 2.160 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+]2CCC1CC2 ZINC000527039108 297707363 /nfs/dbraw/zinc/70/73/63/297707363.db2.gz VCANJZZSFOFVOY-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712046 298117020 /nfs/dbraw/zinc/11/70/20/298117020.db2.gz CQSBGJNHODXHIE-IUODEOHRSA-N 1 0 294.351 2.441 20 5 CEBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541596067 298281050 /nfs/dbraw/zinc/28/10/50/298281050.db2.gz ZPLUPQQVBIQQRK-SNVBAGLBSA-N 1 0 289.335 2.454 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1ccccc1[N+](=O)[O-] ZINC000563421379 298776461 /nfs/dbraw/zinc/77/64/61/298776461.db2.gz JSKVIDSXYACPKO-UHFFFAOYSA-N 1 0 275.352 2.298 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000566475689 298992161 /nfs/dbraw/zinc/99/21/61/298992161.db2.gz OAEFFJIPOOPRJQ-NHYWBVRUSA-N 1 0 298.346 2.452 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567385929 299059680 /nfs/dbraw/zinc/05/96/80/299059680.db2.gz WXFTTZRYPMWFAR-VHSXEESVSA-N 1 0 294.355 2.405 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301308040 302270267 /nfs/dbraw/zinc/27/02/67/302270267.db2.gz WGRTZIHUIAMVPF-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000530866811 313309171 /nfs/dbraw/zinc/30/91/71/313309171.db2.gz HDISUNWITNZSCT-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO CCC(CC)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000531344684 313322858 /nfs/dbraw/zinc/32/28/58/313322858.db2.gz UBLHPKWOFNKXTD-UHFFFAOYSA-N 1 0 266.345 2.481 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000567898428 313917503 /nfs/dbraw/zinc/91/75/03/313917503.db2.gz POAVZAPJGWPUDR-ZYHUDNBSSA-N 1 0 250.298 2.170 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573881284 314178452 /nfs/dbraw/zinc/17/84/52/314178452.db2.gz JPOLPQJYDLEUBP-NEPJUHHUSA-N 1 0 291.351 2.276 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000574137692 314189057 /nfs/dbraw/zinc/18/90/57/314189057.db2.gz DLOJKROKOPTUMP-DTWKUNHWSA-N 1 0 280.303 2.166 20 5 CEBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865535 314422559 /nfs/dbraw/zinc/42/25/59/314422559.db2.gz FAMHXAAAYHTZTK-ODXCJYRJSA-N 1 0 294.376 2.083 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000580718375 322338726 /nfs/dbraw/zinc/33/87/26/322338726.db2.gz UYKIFYMWLWOXOL-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000560590365 327328775 /nfs/dbraw/zinc/32/87/75/327328775.db2.gz OMHHWVQAPQUTFZ-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509483 329504857 /nfs/dbraw/zinc/50/48/57/329504857.db2.gz TZPQHFMSCWANAU-ZWKOPEQDSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339715 518180017 /nfs/dbraw/zinc/18/00/17/518180017.db2.gz UGYOVFJWIDIXLE-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000142968220 519656104 /nfs/dbraw/zinc/65/61/04/519656104.db2.gz DYUKFNMGDKSLEP-UHFFFAOYSA-N 1 0 293.367 2.331 20 5 CEBDRO C[NH+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000054455678 521785399 /nfs/dbraw/zinc/78/53/99/521785399.db2.gz QLWUQOUUDOSFRA-UHFFFAOYSA-N 1 0 293.367 2.184 20 5 CEBDRO CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183644279 522569013 /nfs/dbraw/zinc/56/90/13/522569013.db2.gz KYRZMZHDQSQPDC-LBPRGKRZSA-N 1 0 279.340 2.147 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000051896781 525705887 /nfs/dbraw/zinc/70/58/87/525705887.db2.gz AAEZUUJDSIHWBX-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049084274 525748900 /nfs/dbraw/zinc/74/89/00/525748900.db2.gz YQEJDWDFOJPQJF-YPMHNXCESA-N 1 0 263.341 2.258 20 5 CEBDRO Cc1cnc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000183938118 525982629 /nfs/dbraw/zinc/98/26/29/525982629.db2.gz YYOJYHWRCILNHQ-UHFFFAOYSA-N 1 0 295.368 2.081 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070149079 527192558 /nfs/dbraw/zinc/19/25/58/527192558.db2.gz MYMIUAOWOISQQE-JTQLQIEISA-N 1 0 295.314 2.077 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCOCC2)c1 ZINC000051924459 527386103 /nfs/dbraw/zinc/38/61/03/527386103.db2.gz PRZAJRPATGREBS-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960050 527777400 /nfs/dbraw/zinc/77/74/00/527777400.db2.gz NHVAQQRKPAEYDH-KCPJHIHWSA-N 1 0 294.351 2.439 20 5 CEBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880627 529221925 /nfs/dbraw/zinc/22/19/25/529221925.db2.gz JZDGHWLGZLJDTG-WCQYABFASA-N 1 0 298.412 2.397 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479546 575104858 /nfs/dbraw/zinc/10/48/58/575104858.db2.gz IOWNBVJTIPUBQC-NEPJUHHUSA-N 1 0 282.340 2.297 20 5 CEBDRO CCN(CCc1cccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000746070674 575147689 /nfs/dbraw/zinc/14/76/89/575147689.db2.gz VOKYUNSDOUKVFH-UHFFFAOYSA-N 1 0 280.353 2.375 20 5 CEBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747617416 575172587 /nfs/dbraw/zinc/17/25/87/575172587.db2.gz FGOJEGRCZNJACQ-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO C[N@H+](CCOC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750091437 575246651 /nfs/dbraw/zinc/24/66/51/575246651.db2.gz KLSKEOXRZIHFFG-CQSZACIVSA-N 1 0 296.367 2.375 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964297 623276533 /nfs/dbraw/zinc/27/65/33/623276533.db2.gz CVEAXATWRPJWTE-JTQLQIEISA-N 1 0 283.759 2.419 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933734412 623983035 /nfs/dbraw/zinc/98/30/35/623983035.db2.gz PNZMZGPFNASUBD-DOMZBBRYSA-N 1 0 293.342 2.117 20 5 CEBDRO NC(=O)C1(NCc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000176195726 624172076 /nfs/dbraw/zinc/17/20/76/624172076.db2.gz DCTDJWWNWFAUQC-UHFFFAOYSA-N 1 0 295.314 2.012 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892068804 624291845 /nfs/dbraw/zinc/29/18/45/624291845.db2.gz TUDOWYKRWDUMFE-AOOOYVTPSA-N 1 0 280.324 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CO)CCCC1 ZINC000053069471 625121806 /nfs/dbraw/zinc/12/18/06/625121806.db2.gz FWWJTXNLHDXQFT-UHFFFAOYSA-N 1 0 268.288 2.129 20 5 CEBDRO CON(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850479942 627286993 /nfs/dbraw/zinc/28/69/93/627286993.db2.gz GNZHGKWJAJRXIE-NSHDSACASA-N 1 0 267.329 2.047 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293264399 627398835 /nfs/dbraw/zinc/39/88/35/627398835.db2.gz UPUFGQRDLZESBN-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000311630470 627684056 /nfs/dbraw/zinc/68/40/56/627684056.db2.gz JBCZWFZGHSVREP-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]cc1CO)C2 ZINC000892997197 627933849 /nfs/dbraw/zinc/93/38/49/627933849.db2.gz HFOQNEVZAVMXPD-UHFFFAOYSA-N 1 0 285.303 2.045 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000893079832 627986157 /nfs/dbraw/zinc/98/61/57/627986157.db2.gz KJOZWEDNGJDSBK-VHSXEESVSA-N 1 0 294.311 2.032 20 5 CEBDRO O=[N+]([O-])c1ccccc1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925516710 628061459 /nfs/dbraw/zinc/06/14/59/628061459.db2.gz XOVMHECARCNBTF-OAHLLOKOSA-N 1 0 289.379 2.402 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CNCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428505 634648995 /nfs/dbraw/zinc/64/89/95/634648995.db2.gz DSJASCHUDAHXTI-BZPMIXESSA-N 1 0 277.368 2.286 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000893868407 629022128 /nfs/dbraw/zinc/02/21/28/629022128.db2.gz POUKCLDLGBJBLQ-NSHDSACASA-N 1 0 294.307 2.091 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893941583 629056372 /nfs/dbraw/zinc/05/63/72/629056372.db2.gz UZPQLUIHDODVNU-QPUJVOFHSA-N 1 0 283.278 2.013 20 5 CEBDRO C[C@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261798901 629245617 /nfs/dbraw/zinc/24/56/17/629245617.db2.gz OBUGRLUKZZOIBU-CYBMUJFWSA-N 1 0 283.759 2.419 20 5 CEBDRO CC/C=C\C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894705370 629602083 /nfs/dbraw/zinc/60/20/83/629602083.db2.gz ZNXGEJZFERBRJP-PLNGDYQASA-N 1 0 266.297 2.365 20 5 CEBDRO C[NH+]1C[C@@]2(C)CN(c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894797240 629646163 /nfs/dbraw/zinc/64/61/63/629646163.db2.gz KFCQQMJWVWGNDX-GJZGRUSLSA-N 1 0 275.352 2.373 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000795978260 629727254 /nfs/dbraw/zinc/72/72/54/629727254.db2.gz XZLKONXHHCVVOP-SECBINFHSA-N 1 0 285.294 2.009 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894904664 629745974 /nfs/dbraw/zinc/74/59/74/629745974.db2.gz UZBQTLOKBATIRI-WPRPVWTQSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1nn(CN2C[C@@H]3CSC[C@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000902673825 634770402 /nfs/dbraw/zinc/77/04/02/634770402.db2.gz JWESCFCMSFIGAP-YPMHNXCESA-N 1 0 296.396 2.051 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000895100349 629897047 /nfs/dbraw/zinc/89/70/47/629897047.db2.gz AYYSKELFWPQZHH-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO CC1=NO[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895310470 630099038 /nfs/dbraw/zinc/09/90/38/630099038.db2.gz HVKRJPUVHIPZTA-RYWCDNDXSA-N 1 0 275.308 2.362 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785207 630344050 /nfs/dbraw/zinc/34/40/50/630344050.db2.gz RTZLZVDSFJFWJQ-XCAPREMTSA-N 1 0 288.347 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895780107 630347909 /nfs/dbraw/zinc/34/79/09/630347909.db2.gz ANGUDZQHYVRLNO-BJJXKVORSA-N 1 0 290.363 2.414 20 5 CEBDRO CC1([NH+]2CCC2)CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000896256001 630510672 /nfs/dbraw/zinc/51/06/72/630510672.db2.gz CZOUYIWSCWXMTO-UHFFFAOYSA-N 1 0 291.355 2.204 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO ZINC000872038090 631235137 /nfs/dbraw/zinc/23/51/37/631235137.db2.gz HZTVXXCRHHHLMM-IUCAKERBSA-N 1 0 270.354 2.348 20 5 CEBDRO COCCOC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460580 631530669 /nfs/dbraw/zinc/53/06/69/631530669.db2.gz UQZNWQBPMGPAPC-CHWSQXEVSA-N 1 0 296.367 2.339 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897461866 631532156 /nfs/dbraw/zinc/53/21/56/631532156.db2.gz ZLNVUAJNBIXHLM-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465764 631532250 /nfs/dbraw/zinc/53/22/50/631532250.db2.gz HWDYOXGLYZLXJJ-NTZNESFSSA-N 1 0 264.325 2.465 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000841012070 631741987 /nfs/dbraw/zinc/74/19/87/631741987.db2.gz YXABPYSIKCIPOZ-UHFFFAOYSA-N 1 0 298.730 2.251 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000840116676 631872487 /nfs/dbraw/zinc/87/24/87/631872487.db2.gz QGUSSJGQDVHAOD-COMQUAJESA-N 1 0 288.351 2.201 20 5 CEBDRO Cc1nonc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000809744665 632138582 /nfs/dbraw/zinc/13/85/82/632138582.db2.gz XBGTXICASJPUNN-SNVBAGLBSA-N 1 0 290.323 2.397 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000811848807 632455857 /nfs/dbraw/zinc/45/58/57/632455857.db2.gz UPKOUOSCIAXWNX-JTQLQIEISA-N 1 0 266.345 2.318 20 5 CEBDRO C[C@H](NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000899266315 632763713 /nfs/dbraw/zinc/76/37/13/632763713.db2.gz RDWMEQIRYQTBDL-VIFPVBQESA-N 1 0 262.313 2.007 20 5 CEBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000814039627 632778616 /nfs/dbraw/zinc/77/86/16/632778616.db2.gz ULMMHSJTPYRMSW-LBPRGKRZSA-N 1 0 292.335 2.104 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc2ccccc21 ZINC000899870042 633064760 /nfs/dbraw/zinc/06/47/60/633064760.db2.gz CSVHAGSVLSGWSM-UHFFFAOYSA-N 1 0 260.293 2.085 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817132023 633590633 /nfs/dbraw/zinc/59/06/33/633590633.db2.gz YCRRQYTUKCRIMW-LLVKDONJSA-N 1 0 294.311 2.033 20 5 CEBDRO C[C@@H](NCC1([NH3+])CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938982 633788928 /nfs/dbraw/zinc/78/89/28/633788928.db2.gz WTIBSQFWDCYZBV-LLVKDONJSA-N 1 0 292.383 2.489 20 5 CEBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155659 634087703 /nfs/dbraw/zinc/08/77/03/634087703.db2.gz ORJKTVMTKWANMX-XUJVJEKNSA-N 1 0 294.351 2.033 20 5 CEBDRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819246395 634116179 /nfs/dbraw/zinc/11/61/79/634116179.db2.gz AFNSEQDLOAPRIK-ZIAGYGMSSA-N 1 0 294.351 2.175 20 5 CEBDRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819246392 634116195 /nfs/dbraw/zinc/11/61/95/634116195.db2.gz AFNSEQDLOAPRIK-KBPBESRZSA-N 1 0 294.351 2.175 20 5 CEBDRO CSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819272234 634124273 /nfs/dbraw/zinc/12/42/73/634124273.db2.gz PGCLGTMCZJZLPM-GFCCVEGCSA-N 1 0 282.365 2.113 20 5 CEBDRO CC1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819275426 634125160 /nfs/dbraw/zinc/12/51/60/634125160.db2.gz UTMJFQNMPGMZJH-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO CO[C@@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819325135 634140978 /nfs/dbraw/zinc/14/09/78/634140978.db2.gz YCBVEAGXVCXZFL-GJZGRUSLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC(F)(F)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819337412 634145114 /nfs/dbraw/zinc/14/51/14/634145114.db2.gz QIXZLXSXWWWUOJ-NSHDSACASA-N 1 0 274.267 2.263 20 5 CEBDRO CC(C)(CCC(=O)NCCC[NH+]1CCCCCC1)[N+](=O)[O-] ZINC000822237840 634874286 /nfs/dbraw/zinc/87/42/86/634874286.db2.gz KLLFBLNDTBDGCU-UHFFFAOYSA-N 1 0 299.415 2.204 20 5 CEBDRO O=C(CC[N@@H+]1CCC[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000902995366 634924574 /nfs/dbraw/zinc/92/45/74/634924574.db2.gz CJURBAFPZSNWDX-LLVKDONJSA-N 1 0 295.314 2.357 20 5 CEBDRO CCOCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903074630 634967730 /nfs/dbraw/zinc/96/77/30/634967730.db2.gz VWCSFAQZZWEXOW-JTQLQIEISA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903097886 634967902 /nfs/dbraw/zinc/96/79/02/634967902.db2.gz WFCJHVFHOHEKRM-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903151036 634996584 /nfs/dbraw/zinc/99/65/84/634996584.db2.gz AKSCIRKMDQBGDS-SNVBAGLBSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194333 635005694 /nfs/dbraw/zinc/00/56/94/635005694.db2.gz MZWVTNMSCVICKH-JFGNBEQYSA-N 1 0 280.324 2.431 20 5 CEBDRO CN1CC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903322866 635056375 /nfs/dbraw/zinc/05/63/75/635056375.db2.gz OTTSVSGQTJZGLN-HUUCEWRRSA-N 1 0 289.379 2.210 20 5 CEBDRO Cc1c(-c2noc([C@H](C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269966 635119522 /nfs/dbraw/zinc/11/95/22/635119522.db2.gz METQCAXCEBYFCN-SSDOTTSWSA-N 1 0 262.269 2.015 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000903796997 635274855 /nfs/dbraw/zinc/27/48/55/635274855.db2.gz ZWVKHYLOSHXNIS-HIFRSBDPSA-N 1 0 275.352 2.298 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[NH2+]CC1(C)C ZINC000903821611 635290485 /nfs/dbraw/zinc/29/04/85/635290485.db2.gz NKJXDVJGGHGYSS-CQSZACIVSA-N 1 0 293.367 2.081 20 5 CEBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000905395875 636271416 /nfs/dbraw/zinc/27/14/16/636271416.db2.gz PNONNFMKHZUEOP-UHFFFAOYSA-N 1 0 273.336 2.460 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000905474526 636283694 /nfs/dbraw/zinc/28/36/94/636283694.db2.gz SEXPDNOUJAYYFG-UHFFFAOYSA-N 1 0 263.124 2.402 20 5 CEBDRO C[N@@H+](Cc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831039343 637221484 /nfs/dbraw/zinc/22/14/84/637221484.db2.gz ZHRLBWIHNKPJJY-OAHLLOKOSA-N 1 0 287.319 2.155 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000912272517 638623246 /nfs/dbraw/zinc/62/32/46/638623246.db2.gz PZDDEUXKNAAJKL-OAHLLOKOSA-N 1 0 293.367 2.222 20 5 CEBDRO CSc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000912593075 638737219 /nfs/dbraw/zinc/73/72/19/638737219.db2.gz WFMKKVZPJJOWJS-UHFFFAOYSA-N 1 0 298.364 2.425 20 5 CEBDRO C[C@@H](C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000912652218 638756061 /nfs/dbraw/zinc/75/60/61/638756061.db2.gz CQIMNAQEURLQAY-NSHDSACASA-N 1 0 291.351 2.214 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCCC3)C2)c1 ZINC000876886730 650473970 /nfs/dbraw/zinc/47/39/70/650473970.db2.gz ZDIBXPWGLUZXEH-UHFFFAOYSA-N 1 0 250.302 2.027 20 5 CEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841102693 639579604 /nfs/dbraw/zinc/57/96/04/639579604.db2.gz IPQFTHSUPLICDR-MRVPVSSYSA-N 1 0 298.730 2.061 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208885 639746609 /nfs/dbraw/zinc/74/66/09/639746609.db2.gz AVJSVSMVIXRKBY-MFKMUULPSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000172919235 639827084 /nfs/dbraw/zinc/82/70/84/639827084.db2.gz DVAHYBMWVJSWMX-GHMZBOCLSA-N 1 0 252.318 2.259 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063169183 639837397 /nfs/dbraw/zinc/83/73/97/639837397.db2.gz KGANFJGBVZGVHP-HNNXBMFYSA-N 1 0 277.368 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478363 640078301 /nfs/dbraw/zinc/07/83/01/640078301.db2.gz SEOFOVJWZWUDER-CQSZACIVSA-N 1 0 279.315 2.062 20 5 CEBDRO Cn1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000313270704 640197954 /nfs/dbraw/zinc/19/79/54/640197954.db2.gz BUUMKOJSGGMTNI-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1[NH3+] ZINC000843052804 640256138 /nfs/dbraw/zinc/25/61/38/640256138.db2.gz WJSGRPMMUODONZ-TVQRCGJNSA-N 1 0 283.759 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000843125834 640292337 /nfs/dbraw/zinc/29/23/37/640292337.db2.gz ANMVHTJURBQHKR-HZMBPMFUSA-N 1 0 295.770 2.432 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843149738 640308219 /nfs/dbraw/zinc/30/82/19/640308219.db2.gz PCKFHFFWVXDFIB-ZDUSSCGKSA-N 1 0 290.323 2.419 20 5 CEBDRO Cc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000843178353 640328749 /nfs/dbraw/zinc/32/87/49/640328749.db2.gz BGJFWCKTFCREJJ-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO CC[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178929 640329889 /nfs/dbraw/zinc/32/98/89/640329889.db2.gz RCYGXIFHPQFAFU-UHFFFAOYSA-N 1 0 262.269 2.063 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000914432808 640403604 /nfs/dbraw/zinc/40/36/04/640403604.db2.gz FEKOTSJZKZTNLZ-STQMWFEESA-N 1 0 292.335 2.118 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844449696 640730609 /nfs/dbraw/zinc/73/06/09/640730609.db2.gz CSJNDYLIERDDED-TXEJJXNPSA-N 1 0 284.262 2.171 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844472330 640741694 /nfs/dbraw/zinc/74/16/94/640741694.db2.gz WJKCMTVGLIOQBO-CHWSQXEVSA-N 1 0 298.289 2.359 20 5 CEBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000844743126 640822655 /nfs/dbraw/zinc/82/26/55/640822655.db2.gz UJJIYUHEOHOERG-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC(F)(F)C[NH3+])n1 ZINC000844909567 640863310 /nfs/dbraw/zinc/86/33/10/640863310.db2.gz NNEIEBKVZLLMFH-UHFFFAOYSA-N 1 0 298.249 2.090 20 5 CEBDRO CC(C)OCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877196669 650620908 /nfs/dbraw/zinc/62/09/08/650620908.db2.gz GPSFQZXMPFMRFW-UHFFFAOYSA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1noc(C)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908923 640974347 /nfs/dbraw/zinc/97/43/47/640974347.db2.gz FHFUFZZUGMHYJA-CQSZACIVSA-N 1 0 291.307 2.023 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846111261 641185822 /nfs/dbraw/zinc/18/58/22/641185822.db2.gz NMMRQDMQMNIPJB-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000847825207 641795163 /nfs/dbraw/zinc/79/51/63/641795163.db2.gz BZRGJPMHYLVLQH-SNVBAGLBSA-N 1 0 296.298 2.233 20 5 CEBDRO Cc1ccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000847829999 641798400 /nfs/dbraw/zinc/79/84/00/641798400.db2.gz NUZYJDLLXCZPKA-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO Cc1c(CNC(=[NH2+])N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000849021921 642235481 /nfs/dbraw/zinc/23/54/81/642235481.db2.gz KTVUPAVFYQFZAH-UHFFFAOYSA-N 1 0 262.313 2.022 20 5 CEBDRO CC(C)OC[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000849228286 642289156 /nfs/dbraw/zinc/28/91/56/642289156.db2.gz HMJORAIWMVIYBN-NSHDSACASA-N 1 0 292.295 2.070 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877521832 650764985 /nfs/dbraw/zinc/76/49/85/650764985.db2.gz IGXKMUNLWUCKEK-CBINBANVSA-N 1 0 264.329 2.273 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850377423 642689185 /nfs/dbraw/zinc/68/91/85/642689185.db2.gz GTJGETOHFOLLDD-OLZOCXBDSA-N 1 0 298.289 2.499 20 5 CEBDRO CCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001002193975 642759666 /nfs/dbraw/zinc/75/96/66/642759666.db2.gz WGMVLMIRUJNONV-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CS[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000921863412 642762963 /nfs/dbraw/zinc/76/29/63/642762963.db2.gz VLFHCYUYXLDILS-PWSUYJOCSA-N 1 0 284.385 2.055 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C(C)(C)O)C1 ZINC000877580399 650799192 /nfs/dbraw/zinc/79/91/92/650799192.db2.gz CAGDYXMPLQPGHZ-UHFFFAOYSA-N 1 0 278.352 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H](C)CCO ZINC000877615201 650815738 /nfs/dbraw/zinc/81/57/38/650815738.db2.gz OADZTJCMQZJXOV-NSHDSACASA-N 1 0 266.341 2.414 20 5 CEBDRO CCN1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000922639283 643172147 /nfs/dbraw/zinc/17/21/47/643172147.db2.gz MDHYCKMAWXOYLV-ZDUSSCGKSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000877625417 650819769 /nfs/dbraw/zinc/81/97/69/650819769.db2.gz NRVTYCSGQXAWSN-XNWIYYODSA-N 1 0 293.352 2.302 20 5 CEBDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853239207 643719037 /nfs/dbraw/zinc/71/90/37/643719037.db2.gz CECCSILEFOQRCT-JTQLQIEISA-N 1 0 289.339 2.244 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC000923497951 643739839 /nfs/dbraw/zinc/73/98/39/643739839.db2.gz NNBBHNLSYZUMTC-GHMZBOCLSA-N 1 0 281.331 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923541873 643758181 /nfs/dbraw/zinc/75/81/81/643758181.db2.gz LFHACEWGUYSCBM-OAHLLOKOSA-N 1 0 275.352 2.313 20 5 CEBDRO COc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000853666042 643854506 /nfs/dbraw/zinc/85/45/06/643854506.db2.gz ZKQZXERFMLLSBB-SMDDNHRTSA-N 1 0 291.351 2.052 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877723611 650871814 /nfs/dbraw/zinc/87/18/14/650871814.db2.gz MPPQANGUVZLLAQ-UHFFFAOYSA-N 1 0 292.335 2.253 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000877740244 650882941 /nfs/dbraw/zinc/88/29/41/650882941.db2.gz JKAZQYJFRHPQFA-IUODEOHRSA-N 1 0 293.342 2.260 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839198681 644191755 /nfs/dbraw/zinc/19/17/55/644191755.db2.gz TYIWQSVYZKMQEE-YPMHNXCESA-N 1 0 295.295 2.160 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100869 644325349 /nfs/dbraw/zinc/32/53/49/644325349.db2.gz JJYIPGJNGIPVGB-QWHCGFSZSA-N 1 0 275.352 2.373 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000754516515 644383525 /nfs/dbraw/zinc/38/35/25/644383525.db2.gz NXFCWFXABMPFJG-KKUMJFAQSA-N 1 0 294.351 2.175 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754543802 644388149 /nfs/dbraw/zinc/38/81/49/644388149.db2.gz ZKKORNOLLUWTFY-CYBMUJFWSA-N 1 0 292.335 2.335 20 5 CEBDRO O=[N+]([O-])c1cnn(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000755919858 644582004 /nfs/dbraw/zinc/58/20/04/644582004.db2.gz GJMVEWBIMHQELR-GFCCVEGCSA-N 1 0 290.298 2.377 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952535 650956788 /nfs/dbraw/zinc/95/67/88/650956788.db2.gz PCMVKFIUSDXLSB-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]c(CO)c1 ZINC000858543006 645195166 /nfs/dbraw/zinc/19/51/66/645195166.db2.gz OPXAFPDVBRZGMC-UHFFFAOYSA-N 1 0 287.319 2.161 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765768448 645805231 /nfs/dbraw/zinc/80/52/31/645805231.db2.gz PGQXBBWWONXWSD-CABCVRRESA-N 1 0 289.379 2.210 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000768490578 646131802 /nfs/dbraw/zinc/13/18/02/646131802.db2.gz OTZFYVAOFUJWBM-UHFFFAOYSA-N 1 0 291.355 2.019 20 5 CEBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000862486582 646476953 /nfs/dbraw/zinc/47/69/53/646476953.db2.gz FJBYQQXYUPYOCQ-NSHDSACASA-N 1 0 296.348 2.398 20 5 CEBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000862487628 646478754 /nfs/dbraw/zinc/47/87/54/646478754.db2.gz SBBUEXJUJGQDFD-ZDUSSCGKSA-N 1 0 290.319 2.336 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000863562888 646756796 /nfs/dbraw/zinc/75/67/96/646756796.db2.gz MGBUVRJOPCKFHX-DOMZBBRYSA-N 1 0 294.351 2.035 20 5 CEBDRO CCO[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274348 647044565 /nfs/dbraw/zinc/04/45/65/647044565.db2.gz CGCRAYJDECYVAJ-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000776593278 647076766 /nfs/dbraw/zinc/07/67/66/647076766.db2.gz FQFHVBQSUWAIIE-CHWSQXEVSA-N 1 0 282.365 2.066 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000779200140 647297161 /nfs/dbraw/zinc/29/71/61/647297161.db2.gz STQYBCYZGNZNOJ-UHFFFAOYSA-N 1 0 296.298 2.309 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000779858465 647365868 /nfs/dbraw/zinc/36/58/68/647365868.db2.gz FNMIFOOEVGTAPL-LLVKDONJSA-N 1 0 252.318 2.178 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000865694692 647427594 /nfs/dbraw/zinc/42/75/94/647427594.db2.gz TZDGJYMFJXTJHQ-RCZQDCHWSA-N 1 0 274.320 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865858846 647507065 /nfs/dbraw/zinc/50/70/65/647507065.db2.gz ISKNYWVWZYRRMT-KGLIPLIRSA-N 1 0 262.309 2.396 20 5 CEBDRO CCC[N@@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865948835 647549982 /nfs/dbraw/zinc/54/99/82/647549982.db2.gz IXVFQBLFCDWFIX-NSHDSACASA-N 1 0 297.330 2.122 20 5 CEBDRO C[C@H](C1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000782182467 647597695 /nfs/dbraw/zinc/59/76/95/647597695.db2.gz HLVDDPBQDTYTQN-PWSUYJOCSA-N 1 0 276.340 2.275 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866210201 647674572 /nfs/dbraw/zinc/67/45/72/647674572.db2.gz ZHWCBMTVTCQFSZ-PWSUYJOCSA-N 1 0 279.315 2.264 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866213375 647675701 /nfs/dbraw/zinc/67/57/01/647675701.db2.gz PVXKECJFCDAULC-NXEZZACHSA-N 1 0 270.304 2.289 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679478 647747556 /nfs/dbraw/zinc/74/75/56/647747556.db2.gz IIVVGKMABFJQJC-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866679773 647865876 /nfs/dbraw/zinc/86/58/76/647865876.db2.gz JRPKIHQHACAHJQ-PHIMTYICSA-N 1 0 281.743 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866679814 647866099 /nfs/dbraw/zinc/86/60/99/647866099.db2.gz KONUTEJXEOMMQL-TXEJJXNPSA-N 1 0 281.743 2.184 20 5 CEBDRO C/C(=C\C(=O)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000784592314 647866414 /nfs/dbraw/zinc/86/64/14/647866414.db2.gz DOJDHEYKXNSSPB-VAWYXSNFSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867944305 647997138 /nfs/dbraw/zinc/99/71/38/647997138.db2.gz COSIFVRFYYUDKF-HNNXBMFYSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000868011283 648020547 /nfs/dbraw/zinc/02/05/47/648020547.db2.gz GBTMKPLYYUGNHB-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO CCOC1CC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805820432 648050900 /nfs/dbraw/zinc/05/09/00/648050900.db2.gz NBEKBLKETMVKFJ-YMAMQOFZSA-N 1 0 294.351 2.128 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccoc3)CC2)n1 ZINC000787288369 648095607 /nfs/dbraw/zinc/09/56/07/648095607.db2.gz JWJVWCIHAMSXBQ-UHFFFAOYSA-N 1 0 276.296 2.221 20 5 CEBDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573844 648203743 /nfs/dbraw/zinc/20/37/43/648203743.db2.gz RHDASDXDURZMLC-SNVBAGLBSA-N 1 0 281.356 2.379 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788692810 648216460 /nfs/dbraw/zinc/21/64/60/648216460.db2.gz QWHAFYFBXSZBPT-CMPLNLGQSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791053547 648476071 /nfs/dbraw/zinc/47/60/71/648476071.db2.gz TWXGNTGCAIMGGH-HOCLYGCPSA-N 1 0 291.395 2.248 20 5 CEBDRO C[C@@H]([NH2+]CCCn1cncn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057336 649257340 /nfs/dbraw/zinc/25/73/40/649257340.db2.gz XTUPSLGIVBSMGT-SNVBAGLBSA-N 1 0 293.302 2.066 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086710 649268921 /nfs/dbraw/zinc/26/89/21/649268921.db2.gz YSRJKTAJVGWTRT-DTWKUNHWSA-N 1 0 256.277 2.155 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128797 649286634 /nfs/dbraw/zinc/28/66/34/649286634.db2.gz WXWCXTRZODJRRM-JULQROHOSA-N 1 0 292.335 2.443 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[S@](C)=O ZINC000873053016 649544848 /nfs/dbraw/zinc/54/48/48/649544848.db2.gz CJZLTGLIKCEGAJ-IBGZPJMESA-N 1 0 284.381 2.070 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058795 649546902 /nfs/dbraw/zinc/54/69/02/649546902.db2.gz JDLZLXYUWCVVDH-GFCCVEGCSA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000873080780 649553776 /nfs/dbraw/zinc/55/37/76/649553776.db2.gz SFYWDOVREARCDK-PRWKNARSSA-N 1 0 298.408 2.458 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230164 649601246 /nfs/dbraw/zinc/60/12/46/649601246.db2.gz NBCIVWMFEXMMAM-CEFRJJNVSA-N 1 0 287.363 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c(F)c1 ZINC000873230745 649601880 /nfs/dbraw/zinc/60/18/80/649601880.db2.gz XQJKXJSXZLEBOZ-KBPBESRZSA-N 1 0 279.315 2.108 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC12CCC2 ZINC000878518106 651119039 /nfs/dbraw/zinc/11/90/39/651119039.db2.gz HXVIWIBKGZVKSL-UHFFFAOYSA-N 1 0 264.329 2.118 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317196 651283084 /nfs/dbraw/zinc/28/30/84/651283084.db2.gz CCFORZKCKUOOOA-SWLSCSKDSA-N 1 0 294.351 2.473 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880143049 651391265 /nfs/dbraw/zinc/39/12/65/651391265.db2.gz XPIVPANLGSKLGQ-KBPBESRZSA-N 1 0 293.342 2.402 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000880143866 651392216 /nfs/dbraw/zinc/39/22/16/651392216.db2.gz RECBMTPEHBUTKZ-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CF)C2)c2c(c1)COCO2 ZINC000880292029 651416075 /nfs/dbraw/zinc/41/60/75/651416075.db2.gz LYKZFGCRGNJHHY-SNVBAGLBSA-N 1 0 296.298 2.253 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882382075 652052554 /nfs/dbraw/zinc/05/25/54/652052554.db2.gz NLHSWDZKQYEXGY-VIFPVBQESA-N 1 0 270.308 2.270 20 5 CEBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882821234 652229646 /nfs/dbraw/zinc/22/96/46/652229646.db2.gz PAMTYMZQEVHYMH-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000883200213 652398078 /nfs/dbraw/zinc/39/80/78/652398078.db2.gz CZZHPCAHJCREGA-ZFWWWQNUSA-N 1 0 294.351 2.126 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]CCC23CCC3)cc1 ZINC000883457985 652476876 /nfs/dbraw/zinc/47/68/76/652476876.db2.gz UDDVLKURIVVYIN-UHFFFAOYSA-N 1 0 289.379 2.355 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000800172348 652672578 /nfs/dbraw/zinc/67/25/78/652672578.db2.gz IBBQRAQQYHSMAA-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000884853283 652974896 /nfs/dbraw/zinc/97/48/96/652974896.db2.gz KKFJCKBCBAOPJJ-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265475919 721885904 /nfs/dbraw/zinc/88/59/04/721885904.db2.gz AZKNULYCKFRDPP-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001165041436 721932933 /nfs/dbraw/zinc/93/29/33/721932933.db2.gz WYAKRNKJNJYAME-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226442 806421669 /nfs/dbraw/zinc/42/16/69/806421669.db2.gz KEPGBVBERFFTPO-KOLCDFICSA-N 1 0 283.303 2.024 20 5 CEBDRO Cc1ccc(NC(=O)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000721255934 806702823 /nfs/dbraw/zinc/70/28/23/806702823.db2.gz UTPZSMIJAZZKLQ-UHFFFAOYSA-N 1 0 265.313 2.217 20 5 CEBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1CCC1 ZINC001267338776 803384991 /nfs/dbraw/zinc/38/49/91/803384991.db2.gz FMPWPGTXTVCSQJ-UHFFFAOYSA-N 1 0 297.380 2.004 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC001117747585 814942630 /nfs/dbraw/zinc/94/26/30/814942630.db2.gz QBXQMXULNZRTQJ-RYUDHWBXSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc(-n2nc(C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001167697542 803571745 /nfs/dbraw/zinc/57/17/45/803571745.db2.gz FGRAYUXSZHUYFE-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CC1(Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000310756709 803656196 /nfs/dbraw/zinc/65/61/96/803656196.db2.gz NSNYDXUBPVLEOV-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc([N+](=O)[O-])cn1 ZINC001167752016 803837338 /nfs/dbraw/zinc/83/73/38/803837338.db2.gz AXYRTWLHQDQYCY-NSHDSACASA-N 1 0 279.344 2.061 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000715580812 814974762 /nfs/dbraw/zinc/97/47/62/814974762.db2.gz XJJCGFHCVWJHBS-UWVGGRQHSA-N 1 0 298.774 2.350 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000715580811 814975206 /nfs/dbraw/zinc/97/52/06/814975206.db2.gz XJJCGFHCVWJHBS-NXEZZACHSA-N 1 0 298.774 2.350 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000715593183 814976334 /nfs/dbraw/zinc/97/63/34/814976334.db2.gz FZFDMWBLHBHCKY-AWEZNQCLSA-N 1 0 292.335 2.288 20 5 CEBDRO [NH3+][C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001118263137 814998294 /nfs/dbraw/zinc/99/82/94/814998294.db2.gz AYJZLDZKAPWEJI-AWEZNQCLSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001119288233 815083689 /nfs/dbraw/zinc/08/36/89/815083689.db2.gz ZKTHBPBLQHSOQF-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001171441986 815096160 /nfs/dbraw/zinc/09/61/60/815096160.db2.gz YUUDNCATNFZEIA-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000699442810 807706257 /nfs/dbraw/zinc/70/62/57/807706257.db2.gz YZOUYARNGWYDFQ-WCQYABFASA-N 1 0 264.325 2.418 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000699831946 807865553 /nfs/dbraw/zinc/86/55/53/807865553.db2.gz AKJXLJCYBVFYNY-MFKMUULPSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000716910559 815158855 /nfs/dbraw/zinc/15/88/55/815158855.db2.gz SYDFOJFCRHLGAF-CMPLNLGQSA-N 1 0 252.314 2.234 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@H]2C1 ZINC001119982584 815182109 /nfs/dbraw/zinc/18/21/09/815182109.db2.gz LRNDHFWGUAFGJT-JHJVBQTASA-N 1 0 290.367 2.156 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]2C1 ZINC001120072934 815196630 /nfs/dbraw/zinc/19/66/30/815196630.db2.gz TUNXAQSZGZIWRH-GMTAPVOTSA-N 1 0 296.396 2.218 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC001120476085 815226457 /nfs/dbraw/zinc/22/64/57/815226457.db2.gz SMOFHAVWPNTBNE-NEPJUHHUSA-N 1 0 294.351 2.113 20 5 CEBDRO CCC1(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168583492 808670362 /nfs/dbraw/zinc/67/03/62/808670362.db2.gz MRFGIKPMBPGBIF-UHFFFAOYSA-N 1 0 260.297 2.240 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587234 808735325 /nfs/dbraw/zinc/73/53/25/808735325.db2.gz QQXNBEBYSWEEHD-GHMZBOCLSA-N 1 0 252.318 2.259 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001120597333 815243279 /nfs/dbraw/zinc/24/32/79/815243279.db2.gz RCYHEXCMSIMYBR-JKSUJKDBSA-N 1 0 289.379 2.005 20 5 CEBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)C1O ZINC000700345154 809302170 /nfs/dbraw/zinc/30/21/70/809302170.db2.gz AGMMVAQXZSIUAL-UWVGGRQHSA-N 1 0 282.315 2.183 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700602262 809330491 /nfs/dbraw/zinc/33/04/91/809330491.db2.gz HTJJXFMZJLWBRC-SCZZXKLOSA-N 1 0 297.742 2.105 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702061342 809491429 /nfs/dbraw/zinc/49/14/29/809491429.db2.gz CEMBVEQTSLRCBS-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706545506 809835051 /nfs/dbraw/zinc/83/50/51/809835051.db2.gz YIDUHHURFVTWKW-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001230472031 810540599 /nfs/dbraw/zinc/54/05/99/810540599.db2.gz ZHTDYGXWZMMHOC-NSHDSACASA-N 1 0 250.298 2.295 20 5 CEBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001155247763 811025398 /nfs/dbraw/zinc/02/53/98/811025398.db2.gz LGYFTUDXGZHNSG-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977835 811306025 /nfs/dbraw/zinc/30/60/25/811306025.db2.gz MMXBAJZNTJFOEP-MNOVXSKESA-N 1 0 267.304 2.064 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC001168978420 811306259 /nfs/dbraw/zinc/30/62/59/811306259.db2.gz RXMDLICUQDRKKH-WXHSDQCUSA-N 1 0 261.325 2.104 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC001168977983 811306596 /nfs/dbraw/zinc/30/65/96/811306596.db2.gz NKGPDSKTJUZDOE-TYNCELHUSA-N 1 0 275.352 2.494 20 5 CEBDRO CCCCOCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979530 811307711 /nfs/dbraw/zinc/30/77/11/811307711.db2.gz ZBCYSNJPHUBKKS-OLZOCXBDSA-N 1 0 258.362 2.228 20 5 CEBDRO CCCCOCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979531 811307940 /nfs/dbraw/zinc/30/79/40/811307940.db2.gz ZBCYSNJPHUBKKS-QWHCGFSZSA-N 1 0 258.362 2.228 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC001168984870 811311839 /nfs/dbraw/zinc/31/18/39/811311839.db2.gz AUHOUHISEHNKMO-RKDXNWHRSA-N 1 0 254.252 2.364 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001168958508 811312630 /nfs/dbraw/zinc/31/26/30/811312630.db2.gz NQPHINRBUNYLTN-JOYOIKCWSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC001168959549 811313407 /nfs/dbraw/zinc/31/34/07/811313407.db2.gz WITPZNIVSKNNNK-TZMCWYRMSA-N 1 0 266.316 2.403 20 5 CEBDRO Cn1c2ccccc2nc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960188 811314145 /nfs/dbraw/zinc/31/41/45/811314145.db2.gz DNYLGMZFGVTHHX-NEPJUHHUSA-N 1 0 288.351 2.108 20 5 CEBDRO [NH3+]Cc1nc2ccccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964191 811316648 /nfs/dbraw/zinc/31/66/48/811316648.db2.gz RTCTUJPMPXNEOO-MNOVXSKESA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001168966076 811317086 /nfs/dbraw/zinc/31/70/86/811317086.db2.gz GBSUPVLGUBRFEF-CHWSQXEVSA-N 1 0 270.373 2.107 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC001168973355 811321403 /nfs/dbraw/zinc/32/14/03/811321403.db2.gz ONGCUZCQZASSLM-SNPRPXQTSA-N 1 0 278.352 2.145 20 5 CEBDRO NC(=[NH2+])N(c1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997774 811327511 /nfs/dbraw/zinc/32/75/11/811327511.db2.gz FQZKWXAQGZSLOE-SKDRFNHKSA-N 1 0 296.758 2.485 20 5 CEBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008002 811332839 /nfs/dbraw/zinc/33/28/39/811332839.db2.gz QOEOUSNTMSEDRA-WZRBSPASSA-N 1 0 292.335 2.164 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2noc3ccccc23)C1 ZINC001168987977 811337328 /nfs/dbraw/zinc/33/73/28/811337328.db2.gz LYEFSRYXMALPNX-WDEREUQCSA-N 1 0 275.308 2.363 20 5 CEBDRO CC(C)Oc1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168990854 811339551 /nfs/dbraw/zinc/33/95/51/811339551.db2.gz FCFLDYUMEFXKLC-CHWSQXEVSA-N 1 0 293.367 2.404 20 5 CEBDRO COCc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168991309 811339707 /nfs/dbraw/zinc/33/97/07/811339707.db2.gz GHPZRIIRLQWSCV-CABCVRRESA-N 1 0 278.352 2.368 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](F)CO3)CC2)C1 ZINC001169039965 811348434 /nfs/dbraw/zinc/34/84/34/811348434.db2.gz WKSKPPUBXKSVOM-UPJWGTAASA-N 1 0 286.347 2.025 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC001169039985 811349195 /nfs/dbraw/zinc/34/91/95/811349195.db2.gz WORNROXKXDEUQZ-ZIAGYGMSSA-N 1 0 282.384 2.467 20 5 CEBDRO CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169040985 811350884 /nfs/dbraw/zinc/35/08/84/811350884.db2.gz AHKGSHOCVNYBOX-GXTWGEPZSA-N 1 0 270.373 2.323 20 5 CEBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042860 811351298 /nfs/dbraw/zinc/35/12/98/811351298.db2.gz GOSNBBCUHVSZMP-MCIONIFRSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC001169024479 811354554 /nfs/dbraw/zinc/35/45/54/811354554.db2.gz HKOABEPZVCHCDH-MCIONIFRSA-N 1 0 275.352 2.316 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001169023916 811354806 /nfs/dbraw/zinc/35/48/06/811354806.db2.gz VJTMQTOGFGOBFQ-FZMZJTMJSA-N 1 0 276.336 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(-n2ccc([C@@H](C)[NH3+])n2)c1F ZINC001169235503 811441077 /nfs/dbraw/zinc/44/10/77/811441077.db2.gz WRCNQPQLMOASGJ-MRVPVSSYSA-N 1 0 264.260 2.248 20 5 CEBDRO [NH3+]CCON=c1ccc2c(ccc(Cl)c2[N+](=O)[O-])[nH]1 ZINC001156293866 811490855 /nfs/dbraw/zinc/49/08/55/811490855.db2.gz AQLHEDAODMWNNH-UHFFFAOYSA-N 1 0 282.687 2.099 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2cccc([N+](=O)[O-])n2)C1 ZINC001156378233 811666049 /nfs/dbraw/zinc/66/60/49/811666049.db2.gz JMKMXNWAWUQBPY-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001156381458 811679533 /nfs/dbraw/zinc/67/95/33/811679533.db2.gz RFJSWOGPVQXRII-VIFPVBQESA-N 1 0 299.762 2.182 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C[NH3+] ZINC001170058953 812014101 /nfs/dbraw/zinc/01/41/01/812014101.db2.gz KBHXHIUIKBZOPZ-UHFFFAOYSA-N 1 0 292.261 2.182 20 5 CEBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001123366048 815510096 /nfs/dbraw/zinc/51/00/96/815510096.db2.gz GGHHQZCUCXBOJP-GFCCVEGCSA-N 1 0 286.372 2.240 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC001170299594 812375993 /nfs/dbraw/zinc/37/59/93/812375993.db2.gz VDWSGZJFZQERFD-FZMZJTMJSA-N 1 0 296.367 2.141 20 5 CEBDRO COc1ccc(C[C@@H](C)N(C)CC(C)=O)c([N+](=O)[O-])c1 ZINC001170326977 812387457 /nfs/dbraw/zinc/38/74/57/812387457.db2.gz DMQSBXCWXMAOEP-SNVBAGLBSA-N 1 0 280.324 2.055 20 5 CEBDRO CCC1(Nc2ccc3cccc([N+](=O)[O-])c3n2)C[NH2+]C1 ZINC001157779397 812455176 /nfs/dbraw/zinc/45/51/76/812455176.db2.gz UFJPKYUEHPYMPD-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO CC[C@@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157889145 812514375 /nfs/dbraw/zinc/51/43/75/812514375.db2.gz QZOPTDRKUCKUHL-ZJUUUORDSA-N 1 0 293.371 2.308 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896887 815538743 /nfs/dbraw/zinc/53/87/43/815538743.db2.gz TWDPRFRMCKUSLL-SMDDNHRTSA-N 1 0 278.352 2.467 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@H]1CO)CC2 ZINC001172902394 815540662 /nfs/dbraw/zinc/54/06/62/815540662.db2.gz BEHAIGUPHSHCLL-GOEBONIOSA-N 1 0 290.363 2.299 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896002 815542746 /nfs/dbraw/zinc/54/27/46/815542746.db2.gz KNSHAULZDAVWOE-HOCLYGCPSA-N 1 0 292.379 2.449 20 5 CEBDRO COc1cc(NC(C)(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001158758375 812968547 /nfs/dbraw/zinc/96/85/47/812968547.db2.gz ZKTHKLXREJPQMY-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000714028029 814883041 /nfs/dbraw/zinc/88/30/41/814883041.db2.gz DEZJMMPIPKOYRE-OAHLLOKOSA-N 1 0 277.368 2.333 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000714484244 814908267 /nfs/dbraw/zinc/90/82/67/814908267.db2.gz LGIWWEXLYSKYMZ-TXEJJXNPSA-N 1 0 280.324 2.118 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000714729316 814914235 /nfs/dbraw/zinc/91/42/35/814914235.db2.gz DWCJUTNFGHFRNF-AULYBMBSSA-N 1 0 250.298 2.109 20 5 CEBDRO CCC1([NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000714759669 814914582 /nfs/dbraw/zinc/91/45/82/814914582.db2.gz RDJXGVIRLVTXGB-UHFFFAOYSA-N 1 0 281.331 2.437 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216822 815623729 /nfs/dbraw/zinc/62/37/29/815623729.db2.gz NEYFVCQQWCEXGG-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH3+])nc1 ZINC001173222637 815627395 /nfs/dbraw/zinc/62/73/95/815627395.db2.gz YIAISBNFUPYILJ-NSHDSACASA-N 1 0 286.335 2.492 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222220 815628063 /nfs/dbraw/zinc/62/80/63/815628063.db2.gz QSBRGDUKIWDORJ-DGCLKSJQSA-N 1 0 292.335 2.021 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC001173226240 815629262 /nfs/dbraw/zinc/62/92/62/815629262.db2.gz LMUVDKTYNNPJBU-JSGCOSHPSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC001173209455 815635869 /nfs/dbraw/zinc/63/58/69/815635869.db2.gz CBKXZVUVWXHKIU-UXIGCNINSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN(C)C ZINC001173213686 815637047 /nfs/dbraw/zinc/63/70/47/815637047.db2.gz JUKWPAAKHAXXPD-RYUDHWBXSA-N 1 0 265.357 2.066 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1ccnc1 ZINC001173213095 815637421 /nfs/dbraw/zinc/63/74/21/815637421.db2.gz DQFSNZAGTQIHCI-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO O=[N+]([O-])c1ccnc(N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161176480 815659006 /nfs/dbraw/zinc/65/90/06/815659006.db2.gz XKVJFQVHIQPDTR-JTQLQIEISA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298732 346815239 /nfs/dbraw/zinc/81/52/39/346815239.db2.gz KDLSQEDKVKPFJO-KWQFWETISA-N 1 0 274.267 2.262 20 5 CEBDRO C[NH+](C)CCOC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351827244 282107116 /nfs/dbraw/zinc/10/71/16/282107116.db2.gz FXSIYAYHBGNAAH-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000034995128 361802337 /nfs/dbraw/zinc/80/23/37/361802337.db2.gz CWLKCDCIGXLIPB-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000449137066 282114753 /nfs/dbraw/zinc/11/47/53/282114753.db2.gz DGDLITVZBAEJDV-NSHDSACASA-N 1 0 264.325 2.152 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154338990 295665384 /nfs/dbraw/zinc/66/53/84/295665384.db2.gz OHAWVBNLFIYANM-OUJBWJOFSA-N 1 0 284.381 2.358 20 5 CEBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035274158 361819786 /nfs/dbraw/zinc/81/97/86/361819786.db2.gz NHFRTCPJSDCPRR-AWEZNQCLSA-N 1 0 286.335 2.496 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079905737 343993308 /nfs/dbraw/zinc/99/33/08/343993308.db2.gz ZJHKYOYNNMFUSD-ZDUSSCGKSA-N 1 0 292.383 2.033 20 5 CEBDRO [NH3+][C@H]1CCCCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325008 346821013 /nfs/dbraw/zinc/82/10/13/346821013.db2.gz WBARULGZZBQINE-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000601333107 346822898 /nfs/dbraw/zinc/82/28/98/346822898.db2.gz AITRMUCJPGKFPA-NWDGAFQWSA-N 1 0 281.381 2.230 20 5 CEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036262959 361837291 /nfs/dbraw/zinc/83/72/91/361837291.db2.gz GVRIAUUNSUQOAQ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CCCNC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036780883 361856995 /nfs/dbraw/zinc/85/69/95/361856995.db2.gz BKVGLEVWPKOIFO-ZDUSSCGKSA-N 1 0 279.340 2.162 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125446797 187185331 /nfs/dbraw/zinc/18/53/31/187185331.db2.gz KQMSZWWTZBDTBT-WLRWDXFRSA-N 1 0 284.381 2.150 20 5 CEBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000080250215 344004933 /nfs/dbraw/zinc/00/49/33/344004933.db2.gz ORJAXXDYQMCPES-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO Cc1nccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337950839 214327313 /nfs/dbraw/zinc/32/73/13/214327313.db2.gz OODFSIZKMAVIOC-UHFFFAOYSA-N 1 0 292.314 2.419 20 5 CEBDRO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038014516 361981661 /nfs/dbraw/zinc/98/16/61/361981661.db2.gz LSHBVWRSHOVPHO-LBPRGKRZSA-N 1 0 293.367 2.032 20 5 CEBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449259415 282161031 /nfs/dbraw/zinc/16/10/31/282161031.db2.gz TZXQXOXEQSLUAW-NSHDSACASA-N 1 0 292.335 2.069 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)O ZINC000449290087 282173901 /nfs/dbraw/zinc/17/39/01/282173901.db2.gz DJYFPJANSJDNBV-NEPJUHHUSA-N 1 0 266.341 2.276 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC[NH+](C)C ZINC000080607166 344016067 /nfs/dbraw/zinc/01/60/67/344016067.db2.gz PKIFXBVRUNTNSG-NSHDSACASA-N 1 0 281.356 2.493 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000449332989 282191000 /nfs/dbraw/zinc/19/10/00/282191000.db2.gz FNDMCRSLOVKZBV-LLVKDONJSA-N 1 0 274.324 2.081 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341658 282193372 /nfs/dbraw/zinc/19/33/72/282193372.db2.gz ZULSRKXVSHTFCZ-OCCSQVGLSA-N 1 0 296.367 2.167 20 5 CEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000041318978 343439414 /nfs/dbraw/zinc/43/94/14/343439414.db2.gz QARRRDNNBRARLK-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[NH+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000041894600 343443610 /nfs/dbraw/zinc/44/36/10/343443610.db2.gz DFRYPIQEXYSISW-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CCC[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000048071242 343525440 /nfs/dbraw/zinc/52/54/40/343525440.db2.gz WVVMYYIKXOCUCT-JSGCOSHPSA-N 1 0 296.367 2.455 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000601967740 346945224 /nfs/dbraw/zinc/94/52/24/346945224.db2.gz AHTZBDBQPSTKLI-LBPRGKRZSA-N 1 0 286.278 2.451 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295018290 199302263 /nfs/dbraw/zinc/30/22/63/199302263.db2.gz KHRXGPQPPGGCOG-SNVBAGLBSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055541372 343605850 /nfs/dbraw/zinc/60/58/50/343605850.db2.gz AUSHIFZIFQXISO-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO COC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900513 343609886 /nfs/dbraw/zinc/60/98/86/343609886.db2.gz JNSZJSJIJUVKSB-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057720899 343636183 /nfs/dbraw/zinc/63/61/83/343636183.db2.gz OGHGKWALWMHSDE-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068911178 343777083 /nfs/dbraw/zinc/77/70/83/343777083.db2.gz XQIFXWBTOUSCRS-GFCCVEGCSA-N 1 0 279.340 2.118 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000602026298 346963620 /nfs/dbraw/zinc/96/36/20/346963620.db2.gz LMGKCVUEEUKJEP-LBPRGKRZSA-N 1 0 277.324 2.326 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602032476 346965183 /nfs/dbraw/zinc/96/51/83/346965183.db2.gz XKBMYLQYRHHJEZ-GFCCVEGCSA-N 1 0 291.351 2.492 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000602032168 346965240 /nfs/dbraw/zinc/96/52/40/346965240.db2.gz WMTJCLIVGXQKJK-UHFFFAOYSA-N 1 0 291.351 2.492 20 5 CEBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072861955 343813553 /nfs/dbraw/zinc/81/35/53/343813553.db2.gz FVIQBLNIILFTNU-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000351535522 219117400 /nfs/dbraw/zinc/11/74/00/219117400.db2.gz IZXNYSSUXBBDFW-LLVKDONJSA-N 1 0 294.355 2.283 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172232177 529948771 /nfs/dbraw/zinc/94/87/71/529948771.db2.gz VIMNVDIQBODHON-SNVBAGLBSA-N 1 0 297.380 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449652871 282319792 /nfs/dbraw/zinc/31/97/92/282319792.db2.gz YRIXICZPLAYCQX-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1c(NC(=O)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000049237687 362348281 /nfs/dbraw/zinc/34/82/81/362348281.db2.gz JKHDMPUCPCZEKR-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090909869 344146456 /nfs/dbraw/zinc/14/64/56/344146456.db2.gz MYMLENIVPMIGLD-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451271 344336791 /nfs/dbraw/zinc/33/67/91/344336791.db2.gz GIMIIEFIDHRQQX-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449710701 282337121 /nfs/dbraw/zinc/33/71/21/282337121.db2.gz MZBJDVMWUYMEHM-IACUBPJLSA-N 1 0 278.352 2.276 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352339 344305783 /nfs/dbraw/zinc/30/57/83/344305783.db2.gz ALJYCOQBKZHWMV-OCCSQVGLSA-N 1 0 263.341 2.154 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963353 362387888 /nfs/dbraw/zinc/38/78/88/362387888.db2.gz XTSFWROCRUOQGD-VIFPVBQESA-N 1 0 258.705 2.109 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000144363344 344407349 /nfs/dbraw/zinc/40/73/49/344407349.db2.gz CMBCQIDBBUFADV-OAHLLOKOSA-N 1 0 275.352 2.265 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449719958 282341620 /nfs/dbraw/zinc/34/16/20/282341620.db2.gz RPBCBFJNBRQSAZ-BBUPELFUSA-N 1 0 292.335 2.002 20 5 CEBDRO COc1cc(NCC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000225814700 344548146 /nfs/dbraw/zinc/54/81/46/344548146.db2.gz KWCQTWQJHOBOSH-UHFFFAOYSA-N 1 0 297.330 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000228560553 344561093 /nfs/dbraw/zinc/56/10/93/344561093.db2.gz YHEWOBLEWLDDME-SECBINFHSA-N 1 0 278.243 2.208 20 5 CEBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229938633 344569769 /nfs/dbraw/zinc/56/97/69/344569769.db2.gz JILBGUVLJFVKHR-SNVBAGLBSA-N 1 0 295.730 2.298 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@@H]2O)cs1 ZINC000052001308 362458587 /nfs/dbraw/zinc/45/85/87/362458587.db2.gz JJZMBCHRDJIKKN-UWVGGRQHSA-N 1 0 256.327 2.049 20 5 CEBDRO Cn1cc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000237777075 344603894 /nfs/dbraw/zinc/60/38/94/344603894.db2.gz ASDSIRGTLIYYLW-UHFFFAOYSA-N 1 0 274.324 2.051 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)cn1 ZINC000053297520 362490854 /nfs/dbraw/zinc/49/08/54/362490854.db2.gz ROTHVPYWRWFJEH-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000265836600 344660108 /nfs/dbraw/zinc/66/01/08/344660108.db2.gz NKRHFJDYVTYNOS-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602517181 347064505 /nfs/dbraw/zinc/06/45/05/347064505.db2.gz XDVVNRJODSJNMH-OAHLLOKOSA-N 1 0 294.351 2.126 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000402849877 344874249 /nfs/dbraw/zinc/87/42/49/344874249.db2.gz SBGZUVMPFYFWRQ-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCC[NH2+]1 ZINC000083896534 178760554 /nfs/dbraw/zinc/76/05/54/178760554.db2.gz BJTXMYHBCOUYMM-LBPRGKRZSA-N 1 0 263.297 2.066 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220527 344878705 /nfs/dbraw/zinc/87/87/05/344878705.db2.gz XFERUQJARBZQTD-WFASDCNBSA-N 1 0 294.351 2.095 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404297800 344879184 /nfs/dbraw/zinc/87/91/84/344879184.db2.gz YATUIOVAHLEXOZ-GXSJLCMTSA-N 1 0 297.380 2.246 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404411861 344879944 /nfs/dbraw/zinc/87/99/44/344879944.db2.gz YGJZWIRUOPUNRB-BXUZGUMPSA-N 1 0 291.351 2.184 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CCCO)C2)cs1 ZINC000449793273 282370577 /nfs/dbraw/zinc/37/05/77/282370577.db2.gz WCVZIUSVRYKEEG-SNVBAGLBSA-N 1 0 270.354 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCC[NH+]2CCCC2)c(Cl)c1 ZINC000054126903 362513335 /nfs/dbraw/zinc/51/33/35/362513335.db2.gz LJPVFNNJQCPQJC-UHFFFAOYSA-N 1 0 283.759 2.434 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071894 345037636 /nfs/dbraw/zinc/03/76/36/345037636.db2.gz NJIXMNMFUCIGPC-RYUDHWBXSA-N 1 0 276.340 2.053 20 5 CEBDRO [NH3+]CCN(Cc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000589190854 345070291 /nfs/dbraw/zinc/07/02/91/345070291.db2.gz HCESBSVPPNSUSA-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000054365918 362532616 /nfs/dbraw/zinc/53/26/16/362532616.db2.gz AQIWTYNJMDKDAM-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH2+]C2CC2)CC1 ZINC000589111817 345065981 /nfs/dbraw/zinc/06/59/81/345065981.db2.gz CXYIRKCRZUAHSO-UHFFFAOYSA-N 1 0 296.758 2.364 20 5 CEBDRO C[C@@H](F)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195016 345120697 /nfs/dbraw/zinc/12/06/97/345120697.db2.gz QSCCGPRUYQIAEB-SECBINFHSA-N 1 0 284.287 2.204 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590798873 345182377 /nfs/dbraw/zinc/18/23/77/345182377.db2.gz GLOAACCFLZFLMP-LBPRGKRZSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243924 345234072 /nfs/dbraw/zinc/23/40/72/345234072.db2.gz XMNDYJSINDKEFD-NEPJUHHUSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448128 345256952 /nfs/dbraw/zinc/25/69/52/345256952.db2.gz DBCIHUOBPHQKFB-DYEKYZERSA-N 1 0 275.352 2.340 20 5 CEBDRO COc1cc(C[NH2+]C2CC=CC2)c([N+](=O)[O-])cc1OC ZINC000591501567 345261362 /nfs/dbraw/zinc/26/13/62/345261362.db2.gz SDDWHSCTLSGVEO-UHFFFAOYSA-N 1 0 278.308 2.420 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)[NH3+] ZINC000591581567 345266938 /nfs/dbraw/zinc/26/69/38/345266938.db2.gz ZKUHXKQDPOVBRT-MNOVXSKESA-N 1 0 283.397 2.402 20 5 CEBDRO C[NH2+]C(C)(C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591924204 345301144 /nfs/dbraw/zinc/30/11/44/345301144.db2.gz CONMOSWESDXJJU-UHFFFAOYSA-N 1 0 278.356 2.279 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475537 345359126 /nfs/dbraw/zinc/35/91/26/345359126.db2.gz MQAQFKIQHWBFBS-XUJVJEKNSA-N 1 0 293.367 2.012 20 5 CEBDRO CC1([NH3+])CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000592485267 345359618 /nfs/dbraw/zinc/35/96/18/345359618.db2.gz VKLZYALHEUKQQZ-UHFFFAOYSA-N 1 0 290.323 2.049 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066774 345432467 /nfs/dbraw/zinc/43/24/67/345432467.db2.gz DRBHFAXPFSVEHZ-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593107622 345441108 /nfs/dbraw/zinc/44/11/08/345441108.db2.gz HJWDPSODQPOIRM-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182729 345450352 /nfs/dbraw/zinc/45/03/52/345450352.db2.gz BIBFARNGGUDFIX-SWLSCSKDSA-N 1 0 294.351 2.177 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000110084925 232198045 /nfs/dbraw/zinc/19/80/45/232198045.db2.gz HSKLEWQYLYPCTG-UHFFFAOYSA-N 1 0 292.335 2.180 20 5 CEBDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605088 345511867 /nfs/dbraw/zinc/51/18/67/345511867.db2.gz GHADYEJIWBYSFG-OLZOCXBDSA-N 1 0 266.345 2.350 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640211 345664073 /nfs/dbraw/zinc/66/40/73/345664073.db2.gz DEMHJQRFBHRTOE-LBPRGKRZSA-N 1 0 275.312 2.221 20 5 CEBDRO CN1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505492 345639535 /nfs/dbraw/zinc/63/95/35/345639535.db2.gz WTSLQSLLNMVYDH-FZMZJTMJSA-N 1 0 275.352 2.266 20 5 CEBDRO COCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594513640 345641613 /nfs/dbraw/zinc/64/16/13/345641613.db2.gz FAOYDWOKWKVCMO-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000594591128 345653135 /nfs/dbraw/zinc/65/31/35/345653135.db2.gz FNVWJYZTRXMZLF-WAAGHKOSSA-N 1 0 284.747 2.395 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599998 345656689 /nfs/dbraw/zinc/65/66/89/345656689.db2.gz KYECQOIWIUEUCO-WCQYABFASA-N 1 0 276.340 2.419 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594712258 345677049 /nfs/dbraw/zinc/67/70/49/345677049.db2.gz UKWGYVSHGPCXIK-OSAQELSMSA-N 1 0 294.351 2.297 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)[NH3+] ZINC000594734778 345681309 /nfs/dbraw/zinc/68/13/09/345681309.db2.gz FAEPURUQTXRWKU-UHFFFAOYSA-N 1 0 281.356 2.163 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000595074059 345740180 /nfs/dbraw/zinc/74/01/80/345740180.db2.gz VGWGNCIRELKTCM-DOGVGXBMSA-N 1 0 280.324 2.193 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnn2c1CCC2 ZINC000594929822 345706168 /nfs/dbraw/zinc/70/61/68/345706168.db2.gz NUTXGGVIRCHYAB-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295557 345756754 /nfs/dbraw/zinc/75/67/54/345756754.db2.gz ZYVIOFXGHIANQV-UHFFFAOYSA-N 1 0 256.277 2.202 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594961569 345718121 /nfs/dbraw/zinc/71/81/21/345718121.db2.gz AGBOFBOQAMFWQJ-VQZRKKFQSA-N 1 0 296.392 2.374 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c(F)c1 ZINC000594971252 345719523 /nfs/dbraw/zinc/71/95/23/345719523.db2.gz YJTJUPQEHPPBQF-LLVKDONJSA-N 1 0 290.241 2.248 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988544 345722709 /nfs/dbraw/zinc/72/27/09/345722709.db2.gz QJFAFSGEMYGUDV-ZIAGYGMSSA-N 1 0 276.336 2.296 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000595011055 345726008 /nfs/dbraw/zinc/72/60/08/345726008.db2.gz GSDPQNFVWOJPBH-ZWNOBZJWSA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CCO ZINC000595029772 345730906 /nfs/dbraw/zinc/73/09/06/345730906.db2.gz YJEAUMWSVIGUKO-QWRGUYRKSA-N 1 0 282.340 2.273 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000595302808 345758720 /nfs/dbraw/zinc/75/87/20/345758720.db2.gz KKAIWAJGTAOFJV-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000595050099 345734878 /nfs/dbraw/zinc/73/48/78/345734878.db2.gz GJFVFFUEHZHUFR-COPLHBTASA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000595066853 345738592 /nfs/dbraw/zinc/73/85/92/345738592.db2.gz FOIZDEAIMBWDFX-PGLGOXFNSA-N 1 0 250.298 2.102 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595326367 345762546 /nfs/dbraw/zinc/76/25/46/345762546.db2.gz BQYPISFXGATLNN-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595339417 345764746 /nfs/dbraw/zinc/76/47/46/345764746.db2.gz OISRYIYHDZCTCL-AOOOYVTPSA-N 1 0 251.286 2.123 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000595425931 345778939 /nfs/dbraw/zinc/77/89/39/345778939.db2.gz VKJBSHWAGSWHAN-ZSBIGDGJSA-N 1 0 273.336 2.394 20 5 CEBDRO CC[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595462229 345789287 /nfs/dbraw/zinc/78/92/87/345789287.db2.gz SDUFFMYPIHUVKE-CYBMUJFWSA-N 1 0 268.288 2.393 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595599082 345822218 /nfs/dbraw/zinc/82/22/18/345822218.db2.gz KWUOEHCSXVIBNG-SNVBAGLBSA-N 1 0 279.340 2.314 20 5 CEBDRO COCC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000595499570 345796661 /nfs/dbraw/zinc/79/66/61/345796661.db2.gz MQYMCPXYUCMDDK-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664559 345842428 /nfs/dbraw/zinc/84/24/28/345842428.db2.gz ZXLGOGXJHYOSIU-WFASDCNBSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595829892 345888584 /nfs/dbraw/zinc/88/85/84/345888584.db2.gz JISYPWGZCMPXHR-OLZOCXBDSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875535 345903782 /nfs/dbraw/zinc/90/37/82/345903782.db2.gz QMKCGDHMHBXILO-SMDDNHRTSA-N 1 0 264.325 2.045 20 5 CEBDRO Cc1c(CN(C)[C@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595908113 345910671 /nfs/dbraw/zinc/91/06/71/345910671.db2.gz NFLNTEHGRPSMFT-LLVKDONJSA-N 1 0 291.273 2.225 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906849 345911221 /nfs/dbraw/zinc/91/12/21/345911221.db2.gz OLLZYHBDXHLVDV-MVWJERBFSA-N 1 0 267.304 2.027 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](C[NH3+])C(F)(F)F ZINC000595909279 345911559 /nfs/dbraw/zinc/91/15/59/345911559.db2.gz RANCVBIUYMLJIF-SNVBAGLBSA-N 1 0 295.236 2.055 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1([NH2+]C2CC2)CCC1 ZINC000595923739 345913813 /nfs/dbraw/zinc/91/38/13/345913813.db2.gz BNPNBHSGLLDCMY-UHFFFAOYSA-N 1 0 275.308 2.208 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000595941261 345916071 /nfs/dbraw/zinc/91/60/71/345916071.db2.gz CLGURUQKTAQROG-UHFFFAOYSA-N 1 0 297.380 2.126 20 5 CEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000595985311 345921166 /nfs/dbraw/zinc/92/11/66/345921166.db2.gz ZYVQYWQRJCDFEU-JTQLQIEISA-N 1 0 279.340 2.056 20 5 CEBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000596079079 345934673 /nfs/dbraw/zinc/93/46/73/345934673.db2.gz YGJMZFAZPOFTIS-GHMZBOCLSA-N 1 0 294.355 2.228 20 5 CEBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000596085020 345936055 /nfs/dbraw/zinc/93/60/55/345936055.db2.gz GANXNLSYFZMDRP-NSHDSACASA-N 1 0 294.355 2.229 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CC[N@@H+](C3CC3)C1)CCN2 ZINC000596091518 345938036 /nfs/dbraw/zinc/93/80/36/345938036.db2.gz LTBAMWKELHQCLT-SNVBAGLBSA-N 1 0 288.351 2.211 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108099 345941406 /nfs/dbraw/zinc/94/14/06/345941406.db2.gz UTFVDONKJWXKGX-RYUDHWBXSA-N 1 0 265.357 2.113 20 5 CEBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596126257 345945712 /nfs/dbraw/zinc/94/57/12/345945712.db2.gz LKAFXUVAQFIJPH-SNVBAGLBSA-N 1 0 269.370 2.353 20 5 CEBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000596569618 346057741 /nfs/dbraw/zinc/05/77/41/346057741.db2.gz YTBVLLDJYJNGCO-NSHDSACASA-N 1 0 299.396 2.203 20 5 CEBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000602585656 347089035 /nfs/dbraw/zinc/08/90/35/347089035.db2.gz HWQJZTWODGHOTR-AAEUAGOBSA-N 1 0 291.351 2.132 20 5 CEBDRO Cc1ccc([C@H](C)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596653459 346072685 /nfs/dbraw/zinc/07/26/85/346072685.db2.gz KODVUSUNJJXMOT-BZUNDVKYSA-N 1 0 275.352 2.306 20 5 CEBDRO Cc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000597131837 346132572 /nfs/dbraw/zinc/13/25/72/346132572.db2.gz XIQXQURMLUHQTB-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCCN1C ZINC000597665687 346212908 /nfs/dbraw/zinc/21/29/08/346212908.db2.gz DXQXRDLOXAUYQX-LBPRGKRZSA-N 1 0 277.324 2.244 20 5 CEBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186913149 232420587 /nfs/dbraw/zinc/42/05/87/232420587.db2.gz VUGCVANEPHSRLA-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000062070718 362703701 /nfs/dbraw/zinc/70/37/01/362703701.db2.gz YTBBUWJGWFJZDF-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[NH2+]C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCC1 ZINC000598632203 346388463 /nfs/dbraw/zinc/38/84/63/346388463.db2.gz BCUAWAXFOVNXNX-UHFFFAOYSA-N 1 0 290.367 2.423 20 5 CEBDRO Cc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719189 346407009 /nfs/dbraw/zinc/40/70/09/346407009.db2.gz LWDKAGRQGUKSHS-HIFRSBDPSA-N 1 0 275.352 2.216 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647123 346392417 /nfs/dbraw/zinc/39/24/17/346392417.db2.gz NRRXASZHNOLFKK-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062856225 362725095 /nfs/dbraw/zinc/72/50/95/362725095.db2.gz PTAQGNFKTNIAFK-IAQYHMDHSA-N 1 0 291.351 2.162 20 5 CEBDRO CN(CCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915992 346433857 /nfs/dbraw/zinc/43/38/57/346433857.db2.gz SDYDQFWXJBWJFT-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598988646 346442580 /nfs/dbraw/zinc/44/25/80/346442580.db2.gz UITFLUKBJWLPKX-RISCZKNCSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1COC1)C1CC1 ZINC000599082150 346457165 /nfs/dbraw/zinc/45/71/65/346457165.db2.gz RIWGBXGESQJACW-AWEZNQCLSA-N 1 0 276.336 2.152 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000599141383 346466389 /nfs/dbraw/zinc/46/63/89/346466389.db2.gz LNRDZDWMVVDISA-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000062999689 362738911 /nfs/dbraw/zinc/73/89/11/362738911.db2.gz YPTLWJXIOPKDME-OAHLLOKOSA-N 1 0 272.304 2.418 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000063308521 362764262 /nfs/dbraw/zinc/76/42/62/362764262.db2.gz YHZSUXNNQGFBMC-NSHDSACASA-N 1 0 291.351 2.316 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599668983 346559550 /nfs/dbraw/zinc/55/95/50/346559550.db2.gz AMRVIQICQWIWLC-BJHJDKERSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCF)CC2)cs1 ZINC000599673318 346560546 /nfs/dbraw/zinc/56/05/46/346560546.db2.gz YVGHIEREGWJHQH-UHFFFAOYSA-N 1 0 287.360 2.134 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000599589766 346543294 /nfs/dbraw/zinc/54/32/94/346543294.db2.gz URTNZSLKUWMALR-NWDGAFQWSA-N 1 0 292.339 2.165 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599590719 346543533 /nfs/dbraw/zinc/54/35/33/346543533.db2.gz XWQSOOXZDQCGRR-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599605586 346545087 /nfs/dbraw/zinc/54/50/87/346545087.db2.gz KJXJVVWCKYZLLF-JOYOIKCWSA-N 1 0 292.339 2.029 20 5 CEBDRO Cc1c([C@H](C)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000600709629 346675243 /nfs/dbraw/zinc/67/52/43/346675243.db2.gz OQRBIOGJGZDTOR-LBPRGKRZSA-N 1 0 293.367 2.062 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000600887692 346704425 /nfs/dbraw/zinc/70/44/25/346704425.db2.gz RKMNXCHBTVINAW-NEPJUHHUSA-N 1 0 291.351 2.182 20 5 CEBDRO CCN(CC[NH3+])[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720909 346678132 /nfs/dbraw/zinc/67/81/32/346678132.db2.gz RNTVTTRTPXOQKX-NSHDSACASA-N 1 0 251.330 2.245 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000601188064 346781224 /nfs/dbraw/zinc/78/12/24/346781224.db2.gz AYLZQDJVVNXDNJ-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1Cc1c(C)cc(C)[nH+]c1C ZINC000601076866 346745359 /nfs/dbraw/zinc/74/53/59/346745359.db2.gz RRRVOGWOVWIROX-UHFFFAOYSA-N 1 0 260.297 2.468 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])n1 ZINC000602679907 347140967 /nfs/dbraw/zinc/14/09/67/347140967.db2.gz BHGNQNKANMWDQJ-CYBMUJFWSA-N 1 0 296.396 2.047 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000602803954 347206123 /nfs/dbraw/zinc/20/61/23/347206123.db2.gz HJXJQZSITITQIM-GFCCVEGCSA-N 1 0 280.372 2.468 20 5 CEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809351 347207991 /nfs/dbraw/zinc/20/79/91/347207991.db2.gz BGQNDWRKKLHDLW-ZYHUDNBSSA-N 1 0 266.345 2.387 20 5 CEBDRO CCC[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602723343 347171475 /nfs/dbraw/zinc/17/14/75/347171475.db2.gz GSGMFCNKMXKQKU-CYBMUJFWSA-N 1 0 266.341 2.278 20 5 CEBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602765393 347188602 /nfs/dbraw/zinc/18/86/02/347188602.db2.gz KXAWMPISXQRATJ-UHFFFAOYSA-N 1 0 268.361 2.468 20 5 CEBDRO C[C@H](C1CC1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602764199 347188671 /nfs/dbraw/zinc/18/86/71/347188671.db2.gz UUDMIDCWXHRHHY-SECBINFHSA-N 1 0 264.329 2.091 20 5 CEBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602832690 347217491 /nfs/dbraw/zinc/21/74/91/347217491.db2.gz VRCLHMJNQBMAMB-GHMZBOCLSA-N 1 0 284.385 2.092 20 5 CEBDRO C[C@@](CO)([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962676 347258667 /nfs/dbraw/zinc/25/86/67/347258667.db2.gz NMYSBALZLMDCTG-NSHDSACASA-N 1 0 292.257 2.344 20 5 CEBDRO Cc1cc(OCc2cn(C)nc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000603423274 347366294 /nfs/dbraw/zinc/36/62/94/347366294.db2.gz ORHRGVXTLSJMCL-UHFFFAOYSA-N 1 0 276.296 2.228 20 5 CEBDRO C[NH+](C)CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000609604387 347645791 /nfs/dbraw/zinc/64/57/91/347645791.db2.gz JPNOTFIHIHSZRD-UHFFFAOYSA-N 1 0 260.297 2.020 20 5 CEBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610510565 347687193 /nfs/dbraw/zinc/68/71/93/347687193.db2.gz YQYQHDZGZJASMB-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000610717847 347706571 /nfs/dbraw/zinc/70/65/71/347706571.db2.gz VSPBZCMRDUWZFP-MFBWXBCUSA-N 1 0 298.346 2.478 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610831062 347717145 /nfs/dbraw/zinc/71/71/45/347717145.db2.gz HDIWFMRZRNPBIV-LLVKDONJSA-N 1 0 277.324 2.312 20 5 CEBDRO COCC1([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000611178082 347748039 /nfs/dbraw/zinc/74/80/39/347748039.db2.gz DRQWPWPJELHJDD-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086700774 179321472 /nfs/dbraw/zinc/32/14/72/179321472.db2.gz MBPNEKXLRMDYPY-AWEZNQCLSA-N 1 0 266.341 2.398 20 5 CEBDRO Cc1nc(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000450393346 282587341 /nfs/dbraw/zinc/58/73/41/282587341.db2.gz QMRMEGKCMUEUMA-UHFFFAOYSA-N 1 0 293.371 2.226 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614418886 348197434 /nfs/dbraw/zinc/19/74/34/348197434.db2.gz DMHGACPLJPXHJB-RISCZKNCSA-N 1 0 287.323 2.194 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000351935811 219255164 /nfs/dbraw/zinc/25/51/64/219255164.db2.gz NTTOPIDOBPPQQV-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000351937671 219255196 /nfs/dbraw/zinc/25/51/96/219255196.db2.gz UWQCHIFUCAAXPN-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568767629 299152047 /nfs/dbraw/zinc/15/20/47/299152047.db2.gz TZBKRRPFMIMQKC-NSHDSACASA-N 1 0 291.351 2.213 20 5 CEBDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000066832895 362889324 /nfs/dbraw/zinc/88/93/24/362889324.db2.gz ITAOLYLKOZZQLJ-CYBMUJFWSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCSC1 ZINC000273390646 192136216 /nfs/dbraw/zinc/13/62/16/192136216.db2.gz JQPDYSVOFVBKDR-NSHDSACASA-N 1 0 252.339 2.498 20 5 CEBDRO CC[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000616866176 348581041 /nfs/dbraw/zinc/58/10/41/348581041.db2.gz SQTRHZPLCOEDJM-CQSZACIVSA-N 1 0 291.307 2.395 20 5 CEBDRO CC[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000616866175 348581074 /nfs/dbraw/zinc/58/10/74/348581074.db2.gz SQTRHZPLCOEDJM-AWEZNQCLSA-N 1 0 291.307 2.395 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000339528233 215230910 /nfs/dbraw/zinc/23/09/10/215230910.db2.gz PUGZBSHDNVXAOF-ZDUSSCGKSA-N 1 0 268.288 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC23CCOCC3)cc1 ZINC000618316821 348923706 /nfs/dbraw/zinc/92/37/06/348923706.db2.gz ASJWEPKITJVJLS-UHFFFAOYSA-N 1 0 276.336 2.392 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000568858965 299159654 /nfs/dbraw/zinc/15/96/54/299159654.db2.gz YLPXDPBJMXBYAI-OAHLLOKOSA-N 1 0 291.351 2.183 20 5 CEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339624166 215274345 /nfs/dbraw/zinc/27/43/45/215274345.db2.gz WYCBIUKTZBHVTO-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538631 180000402 /nfs/dbraw/zinc/00/04/02/180000402.db2.gz XIIQQIOCYPFZJI-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO COc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538634 180000588 /nfs/dbraw/zinc/00/05/88/180000588.db2.gz ZMJLGZSOASHPKU-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000412062972 233326540 /nfs/dbraw/zinc/32/65/40/233326540.db2.gz AWZMQLURJQANOF-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061936 233327104 /nfs/dbraw/zinc/32/71/04/233327104.db2.gz ANLZDWHTYGTCMK-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1c(C(=O)N(C)C2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000091845140 180270368 /nfs/dbraw/zinc/27/03/68/180270368.db2.gz UJYCLWMUGWLOAV-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cnn(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105881389 186083270 /nfs/dbraw/zinc/08/32/70/186083270.db2.gz SLNLSSLBHMPMDZ-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194205 219354336 /nfs/dbraw/zinc/35/43/36/219354336.db2.gz IRDNYNOIEUMRQL-MNOVXSKESA-N 1 0 252.314 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868269 186144603 /nfs/dbraw/zinc/14/46/03/186144603.db2.gz WFIMYCJVXHNRDO-DZGCQCFKSA-N 1 0 275.352 2.311 20 5 CEBDRO COc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070178095 363048633 /nfs/dbraw/zinc/04/86/33/363048633.db2.gz ICFGHXXEEHPDQQ-BXUZGUMPSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000121820522 186998489 /nfs/dbraw/zinc/99/84/89/186998489.db2.gz AGBCPXYSBORGAK-AAEUAGOBSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000123270975 187081950 /nfs/dbraw/zinc/08/19/50/187081950.db2.gz YTNBQSGPPSRBKB-TZMCWYRMSA-N 1 0 289.379 2.352 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123695190 187104942 /nfs/dbraw/zinc/10/49/42/187104942.db2.gz ODXBOILVDCZMMY-AWEZNQCLSA-N 1 0 265.357 2.400 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000123793636 187108878 /nfs/dbraw/zinc/10/88/78/187108878.db2.gz QBQDGBCCNHJILK-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cccn1 ZINC000072631049 363152727 /nfs/dbraw/zinc/15/27/27/363152727.db2.gz NITPWOPRTNFNKZ-LBPRGKRZSA-N 1 0 274.324 2.484 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000072782163 363164839 /nfs/dbraw/zinc/16/48/39/363164839.db2.gz QJADGNSDVQUFBT-LLVKDONJSA-N 1 0 295.339 2.182 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000292034569 198140019 /nfs/dbraw/zinc/14/00/19/198140019.db2.gz HHROELVBFBVZRD-PMDBQALLSA-N 1 0 291.351 2.242 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530144 191193915 /nfs/dbraw/zinc/19/39/15/191193915.db2.gz RWPBVVFEJGTMMC-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000271588781 191228788 /nfs/dbraw/zinc/22/87/88/191228788.db2.gz SUTKMSGCTVSCPQ-WDEREUQCSA-N 1 0 252.318 2.054 20 5 CEBDRO COc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000136474882 187880446 /nfs/dbraw/zinc/88/04/46/187880446.db2.gz BZYHNYQZPFVDTA-UHFFFAOYSA-N 1 0 293.323 2.061 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(F)c1 ZINC000494403589 290971971 /nfs/dbraw/zinc/97/19/71/290971971.db2.gz IDCFUTWONZISGD-NSHDSACASA-N 1 0 290.298 2.035 20 5 CEBDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000151701494 187974169 /nfs/dbraw/zinc/97/41/69/187974169.db2.gz LBFIYXQVOMRZCE-WFASDCNBSA-N 1 0 294.351 2.441 20 5 CEBDRO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886159 188050474 /nfs/dbraw/zinc/05/04/74/188050474.db2.gz NFBJUHWUXVLBRO-VXGBXAGGSA-N 1 0 289.335 2.265 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154435891 188142822 /nfs/dbraw/zinc/14/28/22/188142822.db2.gz YOGSLWUWKLUCLY-FZMZJTMJSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155049450 188179334 /nfs/dbraw/zinc/17/93/34/188179334.db2.gz LTDJGYWSRIZEAM-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CCCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073601396 363231455 /nfs/dbraw/zinc/23/14/55/363231455.db2.gz JAOXQTQTCPLYGC-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000271710168 191285706 /nfs/dbraw/zinc/28/57/06/191285706.db2.gz JKNHQQMMUJXDPO-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)n1 ZINC000162614054 188580501 /nfs/dbraw/zinc/58/05/01/188580501.db2.gz JAKUTDCPULXCIZ-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168205289 188647220 /nfs/dbraw/zinc/64/72/20/188647220.db2.gz WAAWQSXNZCRYCY-DCXZOGHSSA-N 1 0 290.772 2.105 20 5 CEBDRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550055 283031281 /nfs/dbraw/zinc/03/12/81/283031281.db2.gz QRKSKKNTFXHHDZ-GXTWGEPZSA-N 1 0 291.351 2.038 20 5 CEBDRO CC(C)(CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174578611 188907392 /nfs/dbraw/zinc/90/73/92/188907392.db2.gz UOWFMAOSZIKCHM-FNORWQNLSA-N 1 0 264.325 2.359 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000451932818 283146349 /nfs/dbraw/zinc/14/63/49/283146349.db2.gz DUGAHBMZPNRZPE-ZKYQVNSYSA-N 1 0 280.324 2.049 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273631599 192238218 /nfs/dbraw/zinc/23/82/18/192238218.db2.gz QMWYBOPSKRLFBE-NSHDSACASA-N 1 0 279.344 2.061 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273706505 192270396 /nfs/dbraw/zinc/27/03/96/192270396.db2.gz DNKYITMXFIMHAH-GFCCVEGCSA-N 1 0 293.371 2.165 20 5 CEBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000273722355 192278929 /nfs/dbraw/zinc/27/89/29/192278929.db2.gz GVSZMWRBEFLNNG-NSHDSACASA-N 1 0 279.344 2.061 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344269 299254861 /nfs/dbraw/zinc/25/48/61/299254861.db2.gz QXLPDDKTNDCEKE-AWEZNQCLSA-N 1 0 286.335 2.377 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000352791256 219633173 /nfs/dbraw/zinc/63/31/73/219633173.db2.gz HGFJFLDRWHLFPK-GXFFZTMASA-N 1 0 282.365 2.315 20 5 CEBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294713168 199146966 /nfs/dbraw/zinc/14/69/66/199146966.db2.gz JRTRLEVTKDZLCN-GHMZBOCLSA-N 1 0 281.356 2.236 20 5 CEBDRO Cc1ccc(NC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414668751 236439330 /nfs/dbraw/zinc/43/93/30/236439330.db2.gz ZFXVFWVPPQZZNJ-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463757 366441793 /nfs/dbraw/zinc/44/17/93/366441793.db2.gz XLUMKJAYPFXKFP-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cncnc1 ZINC000338958898 366591064 /nfs/dbraw/zinc/59/10/64/366591064.db2.gz VGQARIDZFOLCHN-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000341802395 216110999 /nfs/dbraw/zinc/11/09/99/216110999.db2.gz WFNFUVOTJUXNAJ-UHFFFAOYSA-N 1 0 295.339 2.053 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220390 366630877 /nfs/dbraw/zinc/63/08/77/366630877.db2.gz OUDJSICTZXCZRV-KCJUWKMLSA-N 1 0 292.257 2.477 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000341931417 216157970 /nfs/dbraw/zinc/15/79/70/216157970.db2.gz LCTMUAOWYHSWBR-OLZOCXBDSA-N 1 0 292.383 2.395 20 5 CEBDRO C[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000081589170 363732750 /nfs/dbraw/zinc/73/27/50/363732750.db2.gz VVGXLUWDQMHWEL-UHFFFAOYSA-N 1 0 287.323 2.044 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000177848266 189074281 /nfs/dbraw/zinc/07/42/81/189074281.db2.gz XPBJOYSAXSNZRU-LLVKDONJSA-N 1 0 254.334 2.159 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000177866843 189075662 /nfs/dbraw/zinc/07/56/62/189075662.db2.gz TYVQQJSDLXHLKE-LBPRGKRZSA-N 1 0 293.367 2.469 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000179148297 189173109 /nfs/dbraw/zinc/17/31/09/189173109.db2.gz NBBNXGWNGUODPH-CQSZACIVSA-N 1 0 292.335 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000571633096 299319153 /nfs/dbraw/zinc/31/91/53/299319153.db2.gz VEEBTLSMVKZBQF-JBLDHEPKSA-N 1 0 250.298 2.077 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414348 189254188 /nfs/dbraw/zinc/25/41/88/189254188.db2.gz MVKFXZOLEDGEBX-SMDDNHRTSA-N 1 0 282.340 2.031 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180850063 189279372 /nfs/dbraw/zinc/27/93/72/189279372.db2.gz YWMJYCGISZZMRJ-DGCLKSJQSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153866687 366740778 /nfs/dbraw/zinc/74/07/78/366740778.db2.gz KYQNRHSVNWUOEH-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO CCOc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301496547 201030048 /nfs/dbraw/zinc/03/00/48/201030048.db2.gz BFRHMJPGSHFPQL-GFCCVEGCSA-N 1 0 279.340 2.134 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000020005918 361573473 /nfs/dbraw/zinc/57/34/73/361573473.db2.gz OYYIQGGNJDYPBV-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO C[C@@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091891 361578275 /nfs/dbraw/zinc/57/82/75/361578275.db2.gz RSDKVUUPOHQHDF-LLVKDONJSA-N 1 0 251.330 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000084440159 363810979 /nfs/dbraw/zinc/81/09/79/363810979.db2.gz QJSOSFOPUIVWQK-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO COC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000086699999 363836864 /nfs/dbraw/zinc/83/68/64/363836864.db2.gz CUQRZNHTJGSQML-ZDUSSCGKSA-N 1 0 266.341 2.398 20 5 CEBDRO Cc1c(CN2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000088146876 363879277 /nfs/dbraw/zinc/87/92/77/363879277.db2.gz KGVBRHCMMDXKPV-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089107284 363931035 /nfs/dbraw/zinc/93/10/35/363931035.db2.gz RXAZISMPIJJPGQ-STQMWFEESA-N 1 0 291.351 2.151 20 5 CEBDRO COc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537752 364062256 /nfs/dbraw/zinc/06/22/56/364062256.db2.gz ZSGCDRRHKLXCMU-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237633326 370740133 /nfs/dbraw/zinc/74/01/33/370740133.db2.gz GREQXUUZVOPKNI-SNVBAGLBSA-N 1 0 293.367 2.312 20 5 CEBDRO C[NH+](C)C1(CNc2ccncc2[N+](=O)[O-])CCCC1 ZINC000111540476 364744432 /nfs/dbraw/zinc/74/44/32/364744432.db2.gz YLDYLIVDKAAKBL-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CCC[C@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000112376987 364803041 /nfs/dbraw/zinc/80/30/41/364803041.db2.gz RESPNASEYULLSC-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccnc3)C2)nc1 ZINC000118867092 365186574 /nfs/dbraw/zinc/18/65/74/365186574.db2.gz YBEMBHJCXDVYLT-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000159002759 366868575 /nfs/dbraw/zinc/86/85/75/366868575.db2.gz QSWVEPFJIHBCSD-LBPRGKRZSA-N 1 0 274.324 2.360 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000119997591 365358646 /nfs/dbraw/zinc/35/86/46/365358646.db2.gz UHJLSOPRZZQCCQ-TZMCWYRMSA-N 1 0 293.367 2.267 20 5 CEBDRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524504 366920843 /nfs/dbraw/zinc/92/08/43/366920843.db2.gz ISLSVTCLPABRQX-AAEUAGOBSA-N 1 0 289.339 2.316 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1cccn1 ZINC000583703549 367087400 /nfs/dbraw/zinc/08/74/00/367087400.db2.gz AOMSETNYDRRFJB-CYBMUJFWSA-N 1 0 272.308 2.068 20 5 CEBDRO CN(C)CC[N@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000341053177 367149561 /nfs/dbraw/zinc/14/95/61/367149561.db2.gz WWYIXWBNUHZGBA-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215840 367223902 /nfs/dbraw/zinc/22/39/02/367223902.db2.gz UNMPYLKTFWLCNF-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611414536 367225546 /nfs/dbraw/zinc/22/55/46/367225546.db2.gz GBXUSTINBYWSKN-VHSXEESVSA-N 1 0 287.410 2.138 20 5 CEBDRO C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436577 367240504 /nfs/dbraw/zinc/24/05/04/367240504.db2.gz KOAYSSVQIBDGEN-AAEUAGOBSA-N 1 0 263.341 2.012 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170817642 367423242 /nfs/dbraw/zinc/42/32/42/367423242.db2.gz ZLIDKEJIAUEUGF-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000171068162 367469931 /nfs/dbraw/zinc/46/99/31/367469931.db2.gz ZEIRPCGRGPNOTO-LBPRGKRZSA-N 1 0 292.339 2.071 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721533 367499435 /nfs/dbraw/zinc/49/94/35/367499435.db2.gz NKKKWSPZEQZCLT-XHDPSFHLSA-N 1 0 294.351 2.460 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000174651520 368051804 /nfs/dbraw/zinc/05/18/04/368051804.db2.gz OPCNFWQVOLCLNT-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000344215049 368115402 /nfs/dbraw/zinc/11/54/02/368115402.db2.gz PIYHWDXUYMGAQO-JTQLQIEISA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000303214946 201603834 /nfs/dbraw/zinc/60/38/34/201603834.db2.gz BLQNOGJYZMXWJX-AAEUAGOBSA-N 1 0 282.340 2.065 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181566063 368470859 /nfs/dbraw/zinc/47/08/59/368470859.db2.gz FUPZRVPQMMLGPO-GFCCVEGCSA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000181951378 368509210 /nfs/dbraw/zinc/50/92/10/368509210.db2.gz MTPSDLHYIHSDKN-VIFPVBQESA-N 1 0 296.277 2.420 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1F ZINC000181951391 368509541 /nfs/dbraw/zinc/50/95/41/368509541.db2.gz MTPSDLHYIHSDKN-SECBINFHSA-N 1 0 296.277 2.420 20 5 CEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182644690 368574985 /nfs/dbraw/zinc/57/49/85/368574985.db2.gz UKKAUNAONYXFTM-LLVKDONJSA-N 1 0 280.324 2.368 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000348377363 369024176 /nfs/dbraw/zinc/02/41/76/369024176.db2.gz RNWXGBANQJZTAW-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO O=C(CC[NH2+][C@H]1CCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000572751639 299396393 /nfs/dbraw/zinc/39/63/93/299396393.db2.gz OLJXVYDTQZTPSO-JTQLQIEISA-N 1 0 295.364 2.019 20 5 CEBDRO Cc1nn(CCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000187651087 369195906 /nfs/dbraw/zinc/19/59/06/369195906.db2.gz GTRJJEGVZCOQOP-UHFFFAOYSA-N 1 0 266.345 2.284 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CC1 ZINC000349010133 369219785 /nfs/dbraw/zinc/21/97/85/369219785.db2.gz QKVINHZBLIFPBA-QARUFBMTSA-N 1 0 276.336 2.359 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474178 369362044 /nfs/dbraw/zinc/36/20/44/369362044.db2.gz LXGNTFWDDGNCKR-NWDGAFQWSA-N 1 0 293.367 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)n1 ZINC000188516910 369368255 /nfs/dbraw/zinc/36/82/55/369368255.db2.gz YBRCPDXTPWJTFW-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@H+](CCCCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000349923300 369454350 /nfs/dbraw/zinc/45/43/50/369454350.db2.gz WBDNOFMWCLNETG-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000189102639 369457880 /nfs/dbraw/zinc/45/78/80/369457880.db2.gz FCXGDUWXKBQOAJ-QWRGUYRKSA-N 1 0 252.314 2.416 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205602 370950984 /nfs/dbraw/zinc/95/09/84/370950984.db2.gz RDWXOQCLMOHPGZ-NWDGAFQWSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000350100152 369506386 /nfs/dbraw/zinc/50/63/86/369506386.db2.gz NPZRWHRTZYSMKO-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000276277237 193267644 /nfs/dbraw/zinc/26/76/44/193267644.db2.gz UUTIZKNHPXTYGK-UHFFFAOYSA-N 1 0 285.369 2.070 20 5 CEBDRO CC(C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351148337 369612415 /nfs/dbraw/zinc/61/24/15/369612415.db2.gz PRGGIPRMWTXCAQ-UHFFFAOYSA-N 1 0 266.257 2.078 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352450159 369737251 /nfs/dbraw/zinc/73/72/51/369737251.db2.gz HSORZUSLARBZTI-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540484 369779225 /nfs/dbraw/zinc/77/92/25/369779225.db2.gz LRUWWFZSGASLOP-GFCCVEGCSA-N 1 0 280.324 2.072 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192796380 369854429 /nfs/dbraw/zinc/85/44/29/369854429.db2.gz BSBSOUXQKQAPQA-LBPRGKRZSA-N 1 0 292.383 2.345 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192796401 369854883 /nfs/dbraw/zinc/85/48/83/369854883.db2.gz BSBSOUXQKQAPQA-GFCCVEGCSA-N 1 0 292.383 2.345 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193308259 369922991 /nfs/dbraw/zinc/92/29/91/369922991.db2.gz OVFSTVPARDNIEV-AWEZNQCLSA-N 1 0 291.351 2.040 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)C(C)C ZINC000352871473 369924111 /nfs/dbraw/zinc/92/41/11/369924111.db2.gz OKYAJILCSPNKOZ-CQSZACIVSA-N 1 0 282.340 2.100 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193376468 369934898 /nfs/dbraw/zinc/93/48/98/369934898.db2.gz WFZRSRXMSAOVSI-UHFFFAOYSA-N 1 0 278.356 2.462 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NC1CCCC1 ZINC000195523006 370136728 /nfs/dbraw/zinc/13/67/28/370136728.db2.gz LNAAORILFMMYPI-UHFFFAOYSA-N 1 0 292.339 2.160 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000227920544 370388714 /nfs/dbraw/zinc/38/87/14/370388714.db2.gz FTRUMPLKAXWNSK-SECBINFHSA-N 1 0 297.384 2.446 20 5 CEBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000230185985 370445680 /nfs/dbraw/zinc/44/56/80/370445680.db2.gz LLTBISGNALXESB-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000231361984 370478811 /nfs/dbraw/zinc/47/88/11/370478811.db2.gz GJGOPPVHJYYZFL-UHFFFAOYSA-N 1 0 290.323 2.026 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231857036 370496137 /nfs/dbraw/zinc/49/61/37/370496137.db2.gz YCHITJLEEJHTAA-UHFFFAOYSA-N 1 0 293.367 2.285 20 5 CEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000356269852 370635500 /nfs/dbraw/zinc/63/55/00/370635500.db2.gz BAWDVOQHZFTLNG-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCOC1 ZINC000236859251 370640713 /nfs/dbraw/zinc/64/07/13/370640713.db2.gz LLYNBXXWHLRUFJ-LBPRGKRZSA-N 1 0 280.324 2.262 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000248544186 371209830 /nfs/dbraw/zinc/20/98/30/371209830.db2.gz DMJAETCUVMWORF-MBNYWOFBSA-N 1 0 293.367 2.171 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000359048946 371317485 /nfs/dbraw/zinc/31/74/85/371317485.db2.gz BFKMKARPUAAPAO-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252666663 371463216 /nfs/dbraw/zinc/46/32/16/371463216.db2.gz AAHDAGRXUSYFHI-MNOVXSKESA-N 1 0 262.313 2.029 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000360987395 371584030 /nfs/dbraw/zinc/58/40/30/371584030.db2.gz ZPKFJHPCSMIYIK-ZDUSSCGKSA-N 1 0 290.367 2.302 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000360990961 371585700 /nfs/dbraw/zinc/58/57/00/371585700.db2.gz PGSJGKYXYOJLGH-RYUDHWBXSA-N 1 0 295.387 2.404 20 5 CEBDRO CCc1cnccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000361133660 371670568 /nfs/dbraw/zinc/67/05/68/371670568.db2.gz YVISBZPOSSAUQE-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703320 371707379 /nfs/dbraw/zinc/70/73/79/371707379.db2.gz IQZDYAYORROQRM-DOMZBBRYSA-N 1 0 275.352 2.341 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000261772884 371725632 /nfs/dbraw/zinc/72/56/32/371725632.db2.gz NETZWCVHANDRSL-QMMMGPOBSA-N 1 0 276.296 2.104 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261672301 371697707 /nfs/dbraw/zinc/69/77/07/371697707.db2.gz FZCHYRZWWJHJCD-ZWNOBZJWSA-N 1 0 277.324 2.441 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CC=CCC1 ZINC000344077712 217038817 /nfs/dbraw/zinc/03/88/17/217038817.db2.gz WUSBDPLJWGWGLR-LBPRGKRZSA-N 1 0 264.329 2.079 20 5 CEBDRO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000266457639 372047773 /nfs/dbraw/zinc/04/77/73/372047773.db2.gz YDWYDITUJYCNSG-UHFFFAOYSA-N 1 0 293.367 2.062 20 5 CEBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000269077830 372334468 /nfs/dbraw/zinc/33/44/68/372334468.db2.gz CKSDUYNNPBUGKU-OCCSQVGLSA-N 1 0 290.367 2.219 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000362944681 372583804 /nfs/dbraw/zinc/58/38/04/372583804.db2.gz HNRLBFOIZLZQSS-MZBDJJRSSA-N 1 0 290.363 2.230 20 5 CEBDRO Cc1c(C[N@@H+](C)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000353486322 220109382 /nfs/dbraw/zinc/10/93/82/220109382.db2.gz XIDGPEOUERVJIE-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)C12CCC[NH+]1CCC2 ZINC000365989278 372975404 /nfs/dbraw/zinc/97/54/04/372975404.db2.gz NRNVVDWPEKCCCT-UHFFFAOYSA-N 1 0 293.298 2.301 20 5 CEBDRO CCCNC(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344862271 217337114 /nfs/dbraw/zinc/33/71/14/217337114.db2.gz OEVZOHPKJLIIMF-XYOKQWHBSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370183562 373599650 /nfs/dbraw/zinc/59/96/50/373599650.db2.gz LESXMLQHYYLNRI-LLVKDONJSA-N 1 0 264.325 2.372 20 5 CEBDRO COC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648127 373599881 /nfs/dbraw/zinc/59/98/81/373599881.db2.gz DUDSXZLJEONSNV-RYUDHWBXSA-N 1 0 282.340 2.215 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272667339 373606473 /nfs/dbraw/zinc/60/64/73/373606473.db2.gz SMVLXUWKFADZCJ-VXGBXAGGSA-N 1 0 281.381 2.182 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276952787 374357713 /nfs/dbraw/zinc/35/77/13/374357713.db2.gz UMSCITOSVFBBEM-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO CCOc1cc(C[NH+]2CCC(C)(O)CC2)ccc1[N+](=O)[O-] ZINC000276920578 374346691 /nfs/dbraw/zinc/34/66/91/374346691.db2.gz OZTVJKJGHQDWBK-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ccnc(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374983738 374638751 /nfs/dbraw/zinc/63/87/51/374638751.db2.gz DQGUYGSWUYILMJ-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277911810 374681797 /nfs/dbraw/zinc/68/17/97/374681797.db2.gz PMZDNFDCTBQGHJ-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278419518 374810387 /nfs/dbraw/zinc/81/03/87/374810387.db2.gz OOZSDHIJXWLCNS-UHFFFAOYSA-N 1 0 290.367 2.095 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000377391003 374844235 /nfs/dbraw/zinc/84/42/35/374844235.db2.gz KZUZLVJIZBOWTM-HUUCEWRRSA-N 1 0 292.335 2.131 20 5 CEBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368200 374850961 /nfs/dbraw/zinc/85/09/61/374850961.db2.gz WYTSLLXAKUIPKO-ZWNOBZJWSA-N 1 0 291.351 2.362 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279710035 374961636 /nfs/dbraw/zinc/96/16/36/374961636.db2.gz HWIGJVFNZJMOFB-ZWNOBZJWSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279936703 375036968 /nfs/dbraw/zinc/03/69/68/375036968.db2.gz YNLZFRAEDBOFJE-ZDUSSCGKSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385608755 375236105 /nfs/dbraw/zinc/23/61/05/375236105.db2.gz DYYOTCAZRFZAFU-HIFRSBDPSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770649 375244654 /nfs/dbraw/zinc/24/46/54/375244654.db2.gz ARSGAJVTGQDIKC-TZMCWYRMSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000383021239 375197695 /nfs/dbraw/zinc/19/76/95/375197695.db2.gz PZSSZYIBQRVLSO-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO CO[C@H]([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211704 375284679 /nfs/dbraw/zinc/28/46/79/375284679.db2.gz GJKHURMVIHIDRJ-QMTHXVAHSA-N 1 0 264.325 2.498 20 5 CEBDRO CCOC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343633 375461211 /nfs/dbraw/zinc/46/12/11/375461211.db2.gz CAWJRLYPYFKRBP-NSHDSACASA-N 1 0 280.324 2.021 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000283812717 375766667 /nfs/dbraw/zinc/76/66/67/375766667.db2.gz BSTVWDODGOPVHQ-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096140 375809282 /nfs/dbraw/zinc/80/92/82/375809282.db2.gz MQAKBLVHYLHMDN-CMPLNLGQSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000286151893 375859318 /nfs/dbraw/zinc/85/93/18/375859318.db2.gz VYENUSSLCVQHFN-CABZTGNLSA-N 1 0 252.339 2.436 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414650646 375901001 /nfs/dbraw/zinc/90/10/01/375901001.db2.gz BEAYFBCPOPXRHY-NSHDSACASA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000414665153 375907525 /nfs/dbraw/zinc/90/75/25/375907525.db2.gz UQHTVCFVGSYDOM-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429381 375950070 /nfs/dbraw/zinc/95/00/70/375950070.db2.gz BNTKPBQDERWXLG-NSHDSACASA-N 1 0 299.758 2.381 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289635678 376427097 /nfs/dbraw/zinc/42/70/97/376427097.db2.gz UOHSRGVLURXEEQ-AWEZNQCLSA-N 1 0 294.351 2.244 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000289675664 376442254 /nfs/dbraw/zinc/44/22/54/376442254.db2.gz CCCRTUYCXVHVOS-NXEZZACHSA-N 1 0 268.313 2.116 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263656662 190072209 /nfs/dbraw/zinc/07/22/09/190072209.db2.gz CQMCLSUUBJLLGH-LLVKDONJSA-N 1 0 250.298 2.315 20 5 CEBDRO Cc1ccncc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289720337 376462794 /nfs/dbraw/zinc/46/27/94/376462794.db2.gz HFVQPVINKBCEPK-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000305744353 376469445 /nfs/dbraw/zinc/46/94/45/376469445.db2.gz UNXSJHBZXZBHDB-YGRLFVJLSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000305841593 376515666 /nfs/dbraw/zinc/51/56/66/376515666.db2.gz RHNZCVPFEIBBBK-QWRGUYRKSA-N 1 0 252.314 2.277 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289772041 376493986 /nfs/dbraw/zinc/49/39/86/376493986.db2.gz XQWGKIFBDMYOGJ-GXTWGEPZSA-N 1 0 291.351 2.476 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)O ZINC000264107917 190091217 /nfs/dbraw/zinc/09/12/17/190091217.db2.gz SLBRAZAZDULBJK-JTQLQIEISA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423434 190109031 /nfs/dbraw/zinc/10/90/31/190109031.db2.gz MVNUBCTWJBQNBM-SWLSCSKDSA-N 1 0 294.351 2.209 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420234188 376642189 /nfs/dbraw/zinc/64/21/89/376642189.db2.gz GTOJJPRIJQNXJX-VXGBXAGGSA-N 1 0 286.335 2.247 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420244039 376653062 /nfs/dbraw/zinc/65/30/62/376653062.db2.gz XEMVGGPPTRZQEE-VXGBXAGGSA-N 1 0 286.335 2.247 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420244948 376654996 /nfs/dbraw/zinc/65/49/96/376654996.db2.gz ZCHXLZJQDBIHGT-UWVGGRQHSA-N 1 0 287.323 2.220 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000420253567 376663336 /nfs/dbraw/zinc/66/33/36/376663336.db2.gz BINJCSDWZFQDQC-JOYOIKCWSA-N 1 0 278.356 2.170 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802945 376687450 /nfs/dbraw/zinc/68/74/50/376687450.db2.gz BWIFCRROURCOFI-ZDUSSCGKSA-N 1 0 264.325 2.248 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420946959 376746029 /nfs/dbraw/zinc/74/60/29/376746029.db2.gz SRBNBTWYAFPLHE-NEPJUHHUSA-N 1 0 294.351 2.054 20 5 CEBDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422940786 376869065 /nfs/dbraw/zinc/86/90/65/376869065.db2.gz JAKMRHZDZRBLEN-STQMWFEESA-N 1 0 263.341 2.344 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000562443357 376895703 /nfs/dbraw/zinc/89/57/03/376895703.db2.gz GICHDJIAHXPZLV-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc(NCCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000291029150 377039713 /nfs/dbraw/zinc/03/97/13/377039713.db2.gz WYTVBYJNCQUYEK-UHFFFAOYSA-N 1 0 255.293 2.406 20 5 CEBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291077864 377061485 /nfs/dbraw/zinc/06/14/85/377061485.db2.gz MVTLLQQFIPBSRB-NSHDSACASA-N 1 0 282.340 2.460 20 5 CEBDRO Cc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232839 377150020 /nfs/dbraw/zinc/15/00/20/377150020.db2.gz ITHZGDDTBBZLLV-YPMHNXCESA-N 1 0 263.341 2.306 20 5 CEBDRO CCOc1ccc([C@H](C)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423286624 377215705 /nfs/dbraw/zinc/21/57/05/377215705.db2.gz HUAFNTZTMXAXBM-JTQLQIEISA-N 1 0 281.356 2.381 20 5 CEBDRO CCC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330999942 377232245 /nfs/dbraw/zinc/23/22/45/377232245.db2.gz ZWFARXXNZNBIMM-NSHDSACASA-N 1 0 266.345 2.340 20 5 CEBDRO CC1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331058986 377262000 /nfs/dbraw/zinc/26/20/00/377262000.db2.gz MQJOPAXPEGQJNS-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1c([C@H](C)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278400 377204246 /nfs/dbraw/zinc/20/42/46/377204246.db2.gz PVQFFDSHPOEFOB-GXFFZTMASA-N 1 0 263.341 2.291 20 5 CEBDRO CC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293128658 377437608 /nfs/dbraw/zinc/43/76/08/377437608.db2.gz POXFICBVELLLQK-UHFFFAOYSA-N 1 0 292.257 2.428 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000293223077 377480702 /nfs/dbraw/zinc/48/07/02/377480702.db2.gz YVSCVSRFPJJUPA-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000162835031 249321847 /nfs/dbraw/zinc/32/18/47/249321847.db2.gz HFWQMABNWDPQOA-UHTWSYAYSA-N 1 0 291.351 2.208 20 5 CEBDRO Cn1cnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565219381 377613076 /nfs/dbraw/zinc/61/30/76/377613076.db2.gz UHIIDIQJLOFRIU-AWEZNQCLSA-N 1 0 286.335 2.148 20 5 CEBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293704101 377711823 /nfs/dbraw/zinc/71/18/23/377711823.db2.gz LMDZQUDXPXCYSC-UWVGGRQHSA-N 1 0 267.329 2.253 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CC(O)C1 ZINC000432370017 377754956 /nfs/dbraw/zinc/75/49/56/377754956.db2.gz XRJODZIQSPQVAR-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000294306767 377973711 /nfs/dbraw/zinc/97/37/11/377973711.db2.gz URBVKRZLNKQSDN-PHIMTYICSA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000295693204 378266692 /nfs/dbraw/zinc/26/66/92/378266692.db2.gz LWZXYGOBXKSYPR-NTZNESFSSA-N 1 0 264.325 2.293 20 5 CEBDRO Cc1nc(NC[C@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000295636727 378245879 /nfs/dbraw/zinc/24/58/79/378245879.db2.gz XVURVZDIIJLZQG-NSHDSACASA-N 1 0 293.371 2.227 20 5 CEBDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000295863632 378334706 /nfs/dbraw/zinc/33/47/06/378334706.db2.gz WXXHHXFXHKILCY-QMMMGPOBSA-N 1 0 297.742 2.005 20 5 CEBDRO Cc1nc(NC[C@H](CC(C)C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296527711 378563733 /nfs/dbraw/zinc/56/37/33/378563733.db2.gz NDMRHJQHKOPVQD-NSHDSACASA-N 1 0 281.360 2.081 20 5 CEBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541903 378568769 /nfs/dbraw/zinc/56/87/69/378568769.db2.gz NYISJZJAXLRNER-WDEREUQCSA-N 1 0 293.371 2.226 20 5 CEBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000346554256 217941891 /nfs/dbraw/zinc/94/18/91/217941891.db2.gz GNQJAQYJAJCBDB-ZYHUDNBSSA-N 1 0 298.412 2.482 20 5 CEBDRO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248705 378839715 /nfs/dbraw/zinc/83/97/15/378839715.db2.gz RHIYXUYPQICIAN-WCQYABFASA-N 1 0 289.339 2.316 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453395570 378885224 /nfs/dbraw/zinc/88/52/24/378885224.db2.gz XJYCTZPWSKYUTA-SCDSUCTJSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346989680 218081440 /nfs/dbraw/zinc/08/14/40/218081440.db2.gz SBOSEKCXAKVHBD-AWEZNQCLSA-N 1 0 287.323 2.023 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1 ZINC000453585914 378912105 /nfs/dbraw/zinc/91/21/05/378912105.db2.gz HUVKQFMVSKTXEL-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034378 218098342 /nfs/dbraw/zinc/09/83/42/218098342.db2.gz FYAWLNDFZLUYPY-CYBMUJFWSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347035379 218100090 /nfs/dbraw/zinc/10/00/90/218100090.db2.gz GOLUCJGHBCRMBE-FZMZJTMJSA-N 1 0 263.341 2.072 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)C1 ZINC000347345997 218199439 /nfs/dbraw/zinc/19/94/39/218199439.db2.gz VDEPNAZFVVRNAP-OIOXUXFSSA-N 1 0 262.309 2.065 20 5 CEBDRO Cc1nn(C)c(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301282078 379245084 /nfs/dbraw/zinc/24/50/84/379245084.db2.gz MYQJDRAVKPVLIO-QWRGUYRKSA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1ccnc(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301310211 379254630 /nfs/dbraw/zinc/25/46/30/379254630.db2.gz ZBLZULDDINKRRK-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)C1 ZINC000266530181 190264087 /nfs/dbraw/zinc/26/40/87/190264087.db2.gz LTYWIZHASTUFCP-GHMZBOCLSA-N 1 0 250.298 2.113 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000347625921 218295689 /nfs/dbraw/zinc/29/56/89/218295689.db2.gz CYOJKOKODZXDAQ-UHFFFAOYSA-N 1 0 292.335 2.479 20 5 CEBDRO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000266709623 190276438 /nfs/dbraw/zinc/27/64/38/190276438.db2.gz IXYUGZAGCYXQGF-YPMHNXCESA-N 1 0 291.351 2.276 20 5 CEBDRO COC[C@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000527366565 379753654 /nfs/dbraw/zinc/75/36/54/379753654.db2.gz XBKKMIHUXOYRMP-LLVKDONJSA-N 1 0 264.325 2.235 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000458180523 380032768 /nfs/dbraw/zinc/03/27/68/380032768.db2.gz YTDINPIHFDWFIM-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO COC(C)(C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488801337 380135749 /nfs/dbraw/zinc/13/57/49/380135749.db2.gz PTMLDHJBMHTIED-UHFFFAOYSA-N 1 0 296.371 2.243 20 5 CEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738900 380127642 /nfs/dbraw/zinc/12/76/42/380127642.db2.gz ZVUJQBNTFLVRJM-SGMGOOAPSA-N 1 0 290.367 2.156 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CC1 ZINC000289441900 197348562 /nfs/dbraw/zinc/34/85/62/197348562.db2.gz MBTHKGSQKLUQHB-ABAIWWIYSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000542864030 380319176 /nfs/dbraw/zinc/31/91/76/380319176.db2.gz CNRHOGGFYKIZPM-LBPRGKRZSA-N 1 0 278.356 2.360 20 5 CEBDRO CCOc1cc(C[N@H+](C)CCCOC)ccc1[N+](=O)[O-] ZINC000492355513 380526752 /nfs/dbraw/zinc/52/67/52/380526752.db2.gz HPZHAOZCIVHKPN-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000348259782 218532202 /nfs/dbraw/zinc/53/22/02/218532202.db2.gz AZECCGCOVLZSMS-DZGCQCFKSA-N 1 0 286.335 2.185 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000555241242 380816574 /nfs/dbraw/zinc/81/65/74/380816574.db2.gz JPDUJBYPYJCCLO-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC12CCC[NH+]1CCC2 ZINC000281060958 195088162 /nfs/dbraw/zinc/08/81/62/195088162.db2.gz YUIJNEQFZXCJBR-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO COCCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560665 285108777 /nfs/dbraw/zinc/10/87/77/285108777.db2.gz NRSQXRMOXSIISF-CHWSQXEVSA-N 1 0 294.351 2.393 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1F ZINC000289411929 197334283 /nfs/dbraw/zinc/33/42/83/197334283.db2.gz BDILOQQRGQSHCX-ZDUSSCGKSA-N 1 0 282.315 2.375 20 5 CEBDRO COCCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192734101 533087018 /nfs/dbraw/zinc/08/70/18/533087018.db2.gz NDHDXJXDYNMYFD-HNNXBMFYSA-N 1 0 294.351 2.225 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000289123798 197239838 /nfs/dbraw/zinc/23/98/38/197239838.db2.gz XEXVTZINBDWBQT-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368468327 285160932 /nfs/dbraw/zinc/16/09/32/285160932.db2.gz DBEYUTWSKHDNDD-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO Cc1ccc(C[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000288414902 197071728 /nfs/dbraw/zinc/07/17/28/197071728.db2.gz JDEJTPYAGXOGEJ-UHFFFAOYSA-N 1 0 262.309 2.340 20 5 CEBDRO Cc1ccnc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281993617 195465571 /nfs/dbraw/zinc/46/55/71/195465571.db2.gz VVRPTEUFSBJOMM-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000219192568 130774540 /nfs/dbraw/zinc/77/45/40/130774540.db2.gz SWXLKEMZFFTDIB-GFCCVEGCSA-N 1 0 295.408 2.294 20 5 CEBDRO C[NH2+]CCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000237122139 131005824 /nfs/dbraw/zinc/00/58/24/131005824.db2.gz QGGRPMPCSTUISQ-UHFFFAOYSA-N 1 0 293.367 2.331 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)Cc2ccccc2)cs1 ZINC000237955648 131068262 /nfs/dbraw/zinc/06/82/62/131068262.db2.gz XQOWBQXRFSCLIN-ZDUSSCGKSA-N 1 0 292.360 2.350 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000261602328 131155828 /nfs/dbraw/zinc/15/58/28/131155828.db2.gz BZCZTXVVBLAYCQ-NURSFMCSSA-N 1 0 291.351 2.020 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000262976871 131277201 /nfs/dbraw/zinc/27/72/01/131277201.db2.gz YGURGMCDCVPNTL-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263926154 131361892 /nfs/dbraw/zinc/36/18/92/131361892.db2.gz VYFDMYVUSJCWEY-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO CN(CC[NH+](C)C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413184775 394500046 /nfs/dbraw/zinc/50/00/46/394500046.db2.gz OIMDUGLIEVTPIW-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000070177129 394586910 /nfs/dbraw/zinc/58/69/10/394586910.db2.gz DBYHBFZTBCZSFK-GWCFXTLKSA-N 1 0 292.339 2.186 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000049480233 394547415 /nfs/dbraw/zinc/54/74/15/394547415.db2.gz BJGJWZPGIHFHSM-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000421853652 394617251 /nfs/dbraw/zinc/61/72/51/394617251.db2.gz JHTIOBHVTPUZFA-NSHDSACASA-N 1 0 291.351 2.209 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356825642 394624224 /nfs/dbraw/zinc/62/42/24/394624224.db2.gz UZUHHOGTEXNKFV-JTQLQIEISA-N 1 0 297.330 2.192 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000356825569 394624403 /nfs/dbraw/zinc/62/44/03/394624403.db2.gz USCSVYCUTXLODA-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422723181 394741475 /nfs/dbraw/zinc/74/14/75/394741475.db2.gz ZUDYRWGAUPTUIK-FZMZJTMJSA-N 1 0 293.367 2.224 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422726636 394742026 /nfs/dbraw/zinc/74/20/26/394742026.db2.gz FQKNNVHOOTXCRZ-LBPRGKRZSA-N 1 0 291.351 2.200 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000356999384 394677041 /nfs/dbraw/zinc/67/70/41/394677041.db2.gz KLLGECZYJXPSAJ-STQMWFEESA-N 1 0 277.368 2.162 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267723400 394683978 /nfs/dbraw/zinc/68/39/78/394683978.db2.gz YXEZWOZUHYNMMS-MFKMUULPSA-N 1 0 250.298 2.377 20 5 CEBDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357039717 394689749 /nfs/dbraw/zinc/68/97/49/394689749.db2.gz NPQFPRACXOYFPG-SNVBAGLBSA-N 1 0 291.351 2.314 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017913 394708006 /nfs/dbraw/zinc/70/80/06/394708006.db2.gz OZUNJCQYKGFUKD-FZMZJTMJSA-N 1 0 289.339 2.316 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000422554840 394709059 /nfs/dbraw/zinc/70/90/59/394709059.db2.gz YQNQYDRPTVPIFM-JTQLQIEISA-N 1 0 290.323 2.412 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272184656 394769584 /nfs/dbraw/zinc/76/95/84/394769584.db2.gz KTAVXEVRHVXEIX-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360027016 394784443 /nfs/dbraw/zinc/78/44/43/394784443.db2.gz CGEBRFWLJMJHDW-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO C[C@]1(CNCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414904139 394797438 /nfs/dbraw/zinc/79/74/38/394797438.db2.gz MVWPUJBUBSUGOD-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000414943969 394815417 /nfs/dbraw/zinc/81/54/17/394815417.db2.gz FZXLZELWRMJHJO-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[NH2+]C1CC1 ZINC000415065370 394872120 /nfs/dbraw/zinc/87/21/20/394872120.db2.gz FYERNJVQPVTETM-UHFFFAOYSA-N 1 0 293.367 2.225 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000422868901 394840775 /nfs/dbraw/zinc/84/07/75/394840775.db2.gz VTTVQRZXNBLOFZ-OAHLLOKOSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000128139335 394853565 /nfs/dbraw/zinc/85/35/65/394853565.db2.gz ODVRIOAPUAGFEY-BIMULSAOSA-N 1 0 264.325 2.405 20 5 CEBDRO CC[C@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000128735502 394854681 /nfs/dbraw/zinc/85/46/81/394854681.db2.gz KKEWTEPLCYRWIJ-CQSZACIVSA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000423589587 394954998 /nfs/dbraw/zinc/95/49/98/394954998.db2.gz AGNOIMOMTGPRFL-RYUDHWBXSA-N 1 0 291.351 2.034 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482807 394929997 /nfs/dbraw/zinc/92/99/97/394929997.db2.gz RBLQMRDDSWDBGX-CABZTGNLSA-N 1 0 285.294 2.243 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423486899 394931941 /nfs/dbraw/zinc/93/19/41/394931941.db2.gz WTZUCBCDORLLTD-CYBMUJFWSA-N 1 0 291.351 2.185 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415509536 394940007 /nfs/dbraw/zinc/94/00/07/394940007.db2.gz WPZDTNWSCOIOMG-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415581287 394945960 /nfs/dbraw/zinc/94/59/60/394945960.db2.gz NDWMNUJOLUPAGQ-LLVKDONJSA-N 1 0 294.355 2.461 20 5 CEBDRO CS[C@@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370879849 395020841 /nfs/dbraw/zinc/02/08/41/395020841.db2.gz ZZYZBEOQPQKCHM-SNVBAGLBSA-N 1 0 284.385 2.046 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158495391 395046948 /nfs/dbraw/zinc/04/69/48/395046948.db2.gz HZUJLQVVYNSADH-MWLCHTKSSA-N 1 0 281.360 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427123517 395093034 /nfs/dbraw/zinc/09/30/34/395093034.db2.gz XXTWFOPZQHBGFD-UKRRQHHQSA-N 1 0 275.352 2.087 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)C[NH+](C)C ZINC000291792365 395160715 /nfs/dbraw/zinc/16/07/15/395160715.db2.gz WGKUEGLGVZPCPW-LBPRGKRZSA-N 1 0 295.383 2.281 20 5 CEBDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397974139 395230528 /nfs/dbraw/zinc/23/05/28/395230528.db2.gz IRDZGESEPAYLSC-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000398921901 395239477 /nfs/dbraw/zinc/23/94/77/395239477.db2.gz OKWMNDWXRIQLSU-OCCSQVGLSA-N 1 0 278.352 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC[NH+]1CCCCC1)CC2 ZINC000088608048 296509344 /nfs/dbraw/zinc/50/93/44/296509344.db2.gz DRULPWYQJSVXRD-UHFFFAOYSA-N 1 0 289.379 2.439 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000439114355 395250143 /nfs/dbraw/zinc/25/01/43/395250143.db2.gz BQNFUDDXJQXWHB-LBPRGKRZSA-N 1 0 299.346 2.239 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515409 395400843 /nfs/dbraw/zinc/40/08/43/395400843.db2.gz KDBFWNYCIILTJB-NXEZZACHSA-N 1 0 284.385 2.148 20 5 CEBDRO COCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107577 395549246 /nfs/dbraw/zinc/54/92/46/395549246.db2.gz REJJONADXCMTJR-GFCCVEGCSA-N 1 0 250.298 2.208 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000574451738 395630072 /nfs/dbraw/zinc/63/00/72/395630072.db2.gz LCUMHRHGTZVSAV-VIFPVBQESA-N 1 0 277.284 2.086 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189651627 153101959 /nfs/dbraw/zinc/10/19/59/153101959.db2.gz FMPHQYYVFAVYRM-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195040487 153269582 /nfs/dbraw/zinc/26/95/82/153269582.db2.gz ZJNWIDDYYYWOLS-UHFFFAOYSA-N 1 0 266.345 2.401 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000261909489 153876364 /nfs/dbraw/zinc/87/63/64/153876364.db2.gz ZNEBHNSBFPUVOH-MRVPVSSYSA-N 1 0 294.286 2.243 20 5 CEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000363146462 156005222 /nfs/dbraw/zinc/00/52/22/156005222.db2.gz ASUDELROFCQVOL-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000367628175 156218191 /nfs/dbraw/zinc/21/81/91/156218191.db2.gz VPCAUSSAESHUIK-DOERSZECSA-N 1 0 276.336 2.446 20 5 CEBDRO Cc1cc(NC(=O)C23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000368259565 156311785 /nfs/dbraw/zinc/31/17/85/156311785.db2.gz JUGNCSUJFXITFM-UHFFFAOYSA-N 1 0 289.335 2.470 20 5 CEBDRO COCCC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000180414537 292382955 /nfs/dbraw/zinc/38/29/55/292382955.db2.gz PJTBISNRYPWEGH-NSHDSACASA-N 1 0 252.314 2.500 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000174511175 165108188 /nfs/dbraw/zinc/10/81/88/165108188.db2.gz PIBBZWRHESJSEE-JTQLQIEISA-N 1 0 297.380 2.070 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C(C)C ZINC000180616187 165317324 /nfs/dbraw/zinc/31/73/24/165317324.db2.gz VLPGLBVFPRPWSR-CQSZACIVSA-N 1 0 296.367 2.489 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@@H]1C(F)F ZINC000563135552 298740855 /nfs/dbraw/zinc/74/08/55/298740855.db2.gz MNWIAYYIXFOHHC-MASHWEEQSA-N 1 0 297.305 2.147 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000284308577 196027562 /nfs/dbraw/zinc/02/75/62/196027562.db2.gz SEJVSICJOWTSGD-NSHDSACASA-N 1 0 299.758 2.284 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000021817108 171332960 /nfs/dbraw/zinc/33/29/60/171332960.db2.gz UTVXTTONAYSTKW-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285148795 196207016 /nfs/dbraw/zinc/20/70/16/196207016.db2.gz MCALRCYVTBQETC-MNOVXSKESA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446466 196287608 /nfs/dbraw/zinc/28/76/08/196287608.db2.gz XSMXNFPALRWHQB-OQPBUACISA-N 1 0 286.278 2.388 20 5 CEBDRO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285564342 196328004 /nfs/dbraw/zinc/32/80/04/196328004.db2.gz HGQOWLYTLXPEMT-SECBINFHSA-N 1 0 256.277 2.201 20 5 CEBDRO Cc1ccnc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000070496189 175957100 /nfs/dbraw/zinc/95/71/00/175957100.db2.gz XHRGIJWWDRQANF-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449190458 260287479 /nfs/dbraw/zinc/28/74/79/260287479.db2.gz IVUKMMLTLCCQDJ-NTZNESFSSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cc1 ZINC000518370682 260387047 /nfs/dbraw/zinc/38/70/47/260387047.db2.gz XTFGNKUAKIVYMD-UHFFFAOYSA-N 1 0 286.335 2.458 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449073928 261149638 /nfs/dbraw/zinc/14/96/38/261149638.db2.gz JSBFPRQSANIJGS-QWHCGFSZSA-N 1 0 288.351 2.401 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019436 270224762 /nfs/dbraw/zinc/22/47/62/270224762.db2.gz MXUQGSNWBOSCPI-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000285504615 270331685 /nfs/dbraw/zinc/33/16/85/270331685.db2.gz QHSFGFQLTUTKSY-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000296266542 270332060 /nfs/dbraw/zinc/33/20/60/270332060.db2.gz GPRKFGITDSYEKX-CYBMUJFWSA-N 1 0 295.387 2.472 20 5 CEBDRO C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397758112 270354897 /nfs/dbraw/zinc/35/48/97/270354897.db2.gz HCQWCYXJHGXDGE-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000420935933 270572882 /nfs/dbraw/zinc/57/28/82/270572882.db2.gz KATLDAZRYDGRPW-GMXVVIOVSA-N 1 0 264.325 2.325 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422726635 270742250 /nfs/dbraw/zinc/74/22/50/270742250.db2.gz FQKNNVHOOTXCRZ-GFCCVEGCSA-N 1 0 291.351 2.200 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000424334634 271046414 /nfs/dbraw/zinc/04/64/14/271046414.db2.gz NTJRXBPNPYNBIP-NXEZZACHSA-N 1 0 255.343 2.016 20 5 CEBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425977938 271192944 /nfs/dbraw/zinc/19/29/44/271192944.db2.gz NLZHJRLXVYLZQM-LJXYTEIVSA-N 1 0 276.336 2.311 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000426244232 271206411 /nfs/dbraw/zinc/20/64/11/271206411.db2.gz OCIKEHHLZQOYKZ-HUUCEWRRSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1c(CN[C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430557849 271390432 /nfs/dbraw/zinc/39/04/32/271390432.db2.gz UAOIAISBXJJHNT-AWEZNQCLSA-N 1 0 263.341 2.120 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@](C)(C[NH3+])C(C)C ZINC000430593404 271396424 /nfs/dbraw/zinc/39/64/24/271396424.db2.gz IZZAAYOOWRMEAN-CQSZACIVSA-N 1 0 281.356 2.066 20 5 CEBDRO Cn1cncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289623476 274900143 /nfs/dbraw/zinc/90/01/43/274900143.db2.gz DTPZYQKRXVLKMP-OAHLLOKOSA-N 1 0 286.335 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000262586320 275036767 /nfs/dbraw/zinc/03/67/67/275036767.db2.gz ZUKJFXFRBUXURJ-NEPJUHHUSA-N 1 0 298.346 2.189 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000378269633 277034726 /nfs/dbraw/zinc/03/47/26/277034726.db2.gz YZBPHZXUFCLNHG-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000193478996 277084372 /nfs/dbraw/zinc/08/43/72/277084372.db2.gz FMVNPOHALBZNDN-AAEUAGOBSA-N 1 0 290.367 2.098 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292290970 277186212 /nfs/dbraw/zinc/18/62/12/277186212.db2.gz NBHFQHRICXRNBU-AWEZNQCLSA-N 1 0 261.325 2.127 20 5 CEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000275062768 277314504 /nfs/dbraw/zinc/31/45/04/277314504.db2.gz QTNKLKQIVBYLRU-UHFFFAOYSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963673 277632844 /nfs/dbraw/zinc/63/28/44/277632844.db2.gz REWPPHCKZACSLO-PWSUYJOCSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230151995 279054409 /nfs/dbraw/zinc/05/44/09/279054409.db2.gz RJBWWYGDBYENAO-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1c2ccsc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358281219 279144028 /nfs/dbraw/zinc/14/40/28/279144028.db2.gz YZYVXDTYTGVPIO-SNVBAGLBSA-N 1 0 292.364 2.472 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685731 279541669 /nfs/dbraw/zinc/54/16/69/279541669.db2.gz LKUHYIXTGKDSGQ-AAEUAGOBSA-N 1 0 275.352 2.482 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089090781 279642389 /nfs/dbraw/zinc/64/23/89/279642389.db2.gz GOBJSZVRZOKINL-GZMMTYOYSA-N 1 0 297.742 2.105 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247687292 280338304 /nfs/dbraw/zinc/33/83/04/280338304.db2.gz VHJWBFMZWPBBIA-GHMZBOCLSA-N 1 0 252.314 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000249026197 280379952 /nfs/dbraw/zinc/37/99/52/280379952.db2.gz AJHWMVBFHMLOEF-QMTHXVAHSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000408172546 280398677 /nfs/dbraw/zinc/39/86/77/280398677.db2.gz XYSFIJJAQZVLLX-ZDUSSCGKSA-N 1 0 290.367 2.281 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301246438 280664248 /nfs/dbraw/zinc/66/42/48/280664248.db2.gz LJBLELAWECBMJA-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@H](CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000397619618 280680784 /nfs/dbraw/zinc/68/07/84/280680784.db2.gz GFFCXYPMRSMTKX-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1ccc(C[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397745323 280683140 /nfs/dbraw/zinc/68/31/40/280683140.db2.gz KCDTYMNCWZTIGU-UHFFFAOYSA-N 1 0 262.309 2.340 20 5 CEBDRO CCOc1cc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000397978059 280689168 /nfs/dbraw/zinc/68/91/68/280689168.db2.gz JWHBRRXMCLXWEL-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398224729 280689751 /nfs/dbraw/zinc/68/97/51/280689751.db2.gz PKPPRJFLJLOCHJ-CMPLNLGQSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000272365446 281020412 /nfs/dbraw/zinc/02/04/12/281020412.db2.gz SWSJFDZZTQXCME-PWSUYJOCSA-N 1 0 250.298 2.031 20 5 CEBDRO CC[C@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466256 281049043 /nfs/dbraw/zinc/04/90/43/281049043.db2.gz NEECBXRMXOKXJY-MNOVXSKESA-N 1 0 251.330 2.291 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC(O)C1 ZINC000432353397 281324224 /nfs/dbraw/zinc/32/42/24/281324224.db2.gz LEOXPZRSEYGJIE-UHFFFAOYSA-N 1 0 294.351 2.244 20 5 CEBDRO CSCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000156197921 289191580 /nfs/dbraw/zinc/19/15/80/289191580.db2.gz HOTDVRLYPWUQTJ-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000158253645 289230190 /nfs/dbraw/zinc/23/01/90/289230190.db2.gz MZBLVEYWPKEVLY-OLZOCXBDSA-N 1 0 293.367 2.046 20 5 CEBDRO CC(C)(C)C1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459431906 290147336 /nfs/dbraw/zinc/14/73/36/290147336.db2.gz AQDKSLMGKKTCCM-UHFFFAOYSA-N 1 0 266.345 2.206 20 5 CEBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000459617562 290195939 /nfs/dbraw/zinc/19/59/39/290195939.db2.gz RAWGXSLXNZRMOP-YPMHNXCESA-N 1 0 266.345 2.350 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000459653783 290205147 /nfs/dbraw/zinc/20/51/47/290205147.db2.gz YOYJCRCSSUEUQM-TXEJJXNPSA-N 1 0 280.324 2.261 20 5 CEBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCCO ZINC000471807485 290285590 /nfs/dbraw/zinc/28/55/90/290285590.db2.gz CEAHZWRHDUDYCH-SOFGYWHQSA-N 1 0 264.325 2.312 20 5 CEBDRO Cc1ccnc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487092549 290331581 /nfs/dbraw/zinc/33/15/81/290331581.db2.gz AYVXSGKMAIMVFQ-GFCCVEGCSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712047 298117254 /nfs/dbraw/zinc/11/72/54/298117254.db2.gz CQSBGJNHODXHIE-SWLSCSKDSA-N 1 0 294.351 2.441 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000533439013 298164455 /nfs/dbraw/zinc/16/44/55/298164455.db2.gz BNVUBXQEIYCHIC-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000537316681 298209012 /nfs/dbraw/zinc/20/90/12/298209012.db2.gz BKIUSNHXAFUFHL-LBPRGKRZSA-N 1 0 290.319 2.129 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000525288078 313147996 /nfs/dbraw/zinc/14/79/96/313147996.db2.gz XARFLUAACGDNCV-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCC1=O ZINC000564578095 313769293 /nfs/dbraw/zinc/76/92/93/313769293.db2.gz SHLBFXKOXJPLDK-LBPRGKRZSA-N 1 0 291.351 2.176 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2(O)CCC2)cc1 ZINC000565770285 313836474 /nfs/dbraw/zinc/83/64/74/313836474.db2.gz NJRQQCWOKINKIZ-UHFFFAOYSA-N 1 0 278.352 2.422 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000577583074 314391336 /nfs/dbraw/zinc/39/13/36/314391336.db2.gz VXSPWAGJKVFCIY-YGRLFVJLSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1cc(N2CC[NH2+]C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000388486341 321886288 /nfs/dbraw/zinc/88/62/88/321886288.db2.gz WYMLZWLNOJXIHW-UHFFFAOYSA-N 1 0 267.304 2.231 20 5 CEBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000390178866 321893411 /nfs/dbraw/zinc/89/34/11/321893411.db2.gz PXCRLMUZTDOCIS-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCF)n1 ZINC000581587724 322408151 /nfs/dbraw/zinc/40/81/51/322408151.db2.gz JZWPDIAWLOXABN-MNOVXSKESA-N 1 0 270.308 2.224 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000582546331 322482329 /nfs/dbraw/zinc/48/23/29/322482329.db2.gz NRIWIQDVQZVNOA-NXEZZACHSA-N 1 0 294.355 2.459 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000582835637 322506324 /nfs/dbraw/zinc/50/63/24/322506324.db2.gz FAHNYTKRBJXNBP-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000583190907 322530005 /nfs/dbraw/zinc/53/00/05/322530005.db2.gz JWAUPAJXLLDMFC-LLVKDONJSA-N 1 0 294.330 2.194 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000556974662 326987420 /nfs/dbraw/zinc/98/74/20/326987420.db2.gz XISJQXXJCLGOCF-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000150272012 521047310 /nfs/dbraw/zinc/04/73/10/521047310.db2.gz KPGHLTUZPHDJDA-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184318678 522362198 /nfs/dbraw/zinc/36/21/98/522362198.db2.gz ZZOQOGYBUUFTAJ-GFCCVEGCSA-N 1 0 298.314 2.257 20 5 CEBDRO C[NH2+][C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226709205 522388692 /nfs/dbraw/zinc/38/86/92/522388692.db2.gz XSMVZWAEMCRTMM-WCQYABFASA-N 1 0 263.341 2.340 20 5 CEBDRO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183832384 522565534 /nfs/dbraw/zinc/56/55/34/522565534.db2.gz MZSGQYZBMGEEOT-ZDUSSCGKSA-N 1 0 293.367 2.408 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)C ZINC000289575923 522957664 /nfs/dbraw/zinc/95/76/64/522957664.db2.gz YTZMJGWJEJJCDE-CQSZACIVSA-N 1 0 280.368 2.476 20 5 CEBDRO CC[C@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062894163 523542035 /nfs/dbraw/zinc/54/20/35/523542035.db2.gz ACSCRQZNFJONOY-NHYWBVRUSA-N 1 0 291.351 2.162 20 5 CEBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676088 523598798 /nfs/dbraw/zinc/59/87/98/523598798.db2.gz PFDZMZSUFBRARI-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000069223869 524691880 /nfs/dbraw/zinc/69/18/80/524691880.db2.gz KSSQBLKIKMRFRP-JTQLQIEISA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197201 525613710 /nfs/dbraw/zinc/61/37/10/525613710.db2.gz VDPBKCSTQLPPNL-NWDGAFQWSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312136 525899875 /nfs/dbraw/zinc/89/98/75/525899875.db2.gz UQPBCDLSYGIUIA-NWJBQHJCSA-N 1 0 284.381 2.321 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c1 ZINC000052926290 527387051 /nfs/dbraw/zinc/38/70/51/527387051.db2.gz ZYNIYWVUFOWANS-KGLIPLIRSA-N 1 0 264.325 2.378 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)n1 ZINC000278643484 527407620 /nfs/dbraw/zinc/40/76/20/527407620.db2.gz HCBXVXXZILNVTE-SECBINFHSA-N 1 0 292.261 2.066 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960052 527772706 /nfs/dbraw/zinc/77/27/06/527772706.db2.gz NHVAQQRKPAEYDH-TUKIKUTGSA-N 1 0 294.351 2.439 20 5 CEBDRO CCOc1cc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111047423 528326868 /nfs/dbraw/zinc/32/68/68/528326868.db2.gz TXFPCCWTNGBPRZ-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413033604 528990427 /nfs/dbraw/zinc/99/04/27/528990427.db2.gz MPLJZNHHUUSVHR-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562290 574467483 /nfs/dbraw/zinc/46/74/83/574467483.db2.gz KRWJTGXDQZADQD-GFCCVEGCSA-N 1 0 264.329 2.240 20 5 CEBDRO C[C@@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000751925340 574474517 /nfs/dbraw/zinc/47/45/17/574474517.db2.gz DOOKBJSWDYIDQO-GHMZBOCLSA-N 1 0 274.324 2.490 20 5 CEBDRO Cc1nn(CN2CC[C@H](c3ccco3)C2)c(C)c1[N+](=O)[O-] ZINC000732183224 574614342 /nfs/dbraw/zinc/61/43/42/574614342.db2.gz NDERRWXBFQJDIH-LBPRGKRZSA-N 1 0 290.323 2.448 20 5 CEBDRO Cc1cccc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000747959834 575177177 /nfs/dbraw/zinc/17/71/77/575177177.db2.gz UVQMDKJMFOLUAX-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO Cc1nn(C[N@@H+](C)C2CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749957793 575241797 /nfs/dbraw/zinc/24/17/97/575241797.db2.gz CEXAYXVGBPKPFU-UHFFFAOYSA-N 1 0 275.312 2.090 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082014 575246015 /nfs/dbraw/zinc/24/60/15/575246015.db2.gz QAGAEXBOBDOTSZ-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000235381160 625355289 /nfs/dbraw/zinc/35/52/89/625355289.db2.gz ZYHCWLQMHAZAGQ-GHMZBOCLSA-N 1 0 277.324 2.230 20 5 CEBDRO CC(C)[NH2+]Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090299981 622639669 /nfs/dbraw/zinc/63/96/69/622639669.db2.gz NSUZECOVFOVEBA-UHFFFAOYSA-N 1 0 295.730 2.327 20 5 CEBDRO C[NH+](C)CCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000891416994 623613582 /nfs/dbraw/zinc/61/35/82/623613582.db2.gz QAVRSZDQXPGQHE-UHFFFAOYSA-N 1 0 292.314 2.068 20 5 CEBDRO COCCCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000234587926 624195249 /nfs/dbraw/zinc/19/52/49/624195249.db2.gz ODWSRPCBOLHIAW-AWEZNQCLSA-N 1 0 282.340 2.035 20 5 CEBDRO COc1c(O)ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892068806 624292302 /nfs/dbraw/zinc/29/23/02/624292302.db2.gz TUDOWYKRWDUMFE-UWVGGRQHSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158626293 624579390 /nfs/dbraw/zinc/57/93/90/624579390.db2.gz RVDTWJMAAGBKTH-ABAIWWIYSA-N 1 0 290.319 2.442 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168615211 625030529 /nfs/dbraw/zinc/03/05/29/625030529.db2.gz IAPSEWRGQSHQMB-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(N)[nH+]1 ZINC000235854107 625774718 /nfs/dbraw/zinc/77/47/18/625774718.db2.gz FJLNLAMSUVAWTI-UHFFFAOYSA-N 1 0 273.296 2.196 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000310941490 627325597 /nfs/dbraw/zinc/32/55/97/627325597.db2.gz OJPGWDQVKWWZEZ-JIMOISOXSA-N 1 0 250.298 2.016 20 5 CEBDRO CC(C)(O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311088881 627365109 /nfs/dbraw/zinc/36/51/09/627365109.db2.gz PGTRSDWXRONADR-UHFFFAOYSA-N 1 0 272.732 2.499 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000312167115 628170052 /nfs/dbraw/zinc/17/00/52/628170052.db2.gz GQXDLUZXVUEDQN-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941995 629056144 /nfs/dbraw/zinc/05/61/44/629056144.db2.gz YGFJBWKRYKSYLH-IUODEOHRSA-N 1 0 298.346 2.283 20 5 CEBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000893990437 629072785 /nfs/dbraw/zinc/07/27/85/629072785.db2.gz KUNBYYCKNYMWKN-AOOOYVTPSA-N 1 0 294.311 2.032 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841104310 629139904 /nfs/dbraw/zinc/13/99/04/629139904.db2.gz XNELEOYZIKPWRW-SECBINFHSA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CSC2)cc1Cl ZINC000877634300 629208261 /nfs/dbraw/zinc/20/82/61/629208261.db2.gz HSDGTSUETPMRMG-UHFFFAOYSA-N 1 0 258.730 2.453 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000791053846 629244683 /nfs/dbraw/zinc/24/46/83/629244683.db2.gz HZXJYMPFSPWQMZ-TZMCWYRMSA-N 1 0 264.325 2.021 20 5 CEBDRO Cc1c(C[NH2+]CCCCCO)cccc1[N+](=O)[O-] ZINC000231885094 629282746 /nfs/dbraw/zinc/28/27/46/629282746.db2.gz RHNGOUCTSSWTPV-UHFFFAOYSA-N 1 0 252.314 2.155 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000261909491 629312159 /nfs/dbraw/zinc/31/21/59/629312159.db2.gz ZNEBHNSBFPUVOH-QMMMGPOBSA-N 1 0 294.286 2.243 20 5 CEBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000894453652 629467532 /nfs/dbraw/zinc/46/75/32/629467532.db2.gz JFGXDBHJHLJSCT-UHFFFAOYSA-N 1 0 291.307 2.162 20 5 CEBDRO Cc1cnc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796867 629645357 /nfs/dbraw/zinc/64/53/57/629645357.db2.gz GFPIYHXTGLNGAD-GJZGRUSLSA-N 1 0 290.367 2.076 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000895100350 629897175 /nfs/dbraw/zinc/89/71/75/629897175.db2.gz AYYSKELFWPQZHH-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO CN(CCCC[NH+]1CCCCC1)c1c([N+](=O)[O-])cnn1C ZINC000895166647 629990719 /nfs/dbraw/zinc/99/07/19/629990719.db2.gz REDDVBGCAQIQEE-UHFFFAOYSA-N 1 0 295.387 2.031 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000895321777 630108386 /nfs/dbraw/zinc/10/83/86/630108386.db2.gz XNIBBQKQEUBXDP-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000895739060 630319890 /nfs/dbraw/zinc/31/98/90/630319890.db2.gz ATSUXOREZZOFQR-PSASIEDQSA-N 1 0 283.303 2.247 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650670 630625175 /nfs/dbraw/zinc/62/51/75/630625175.db2.gz KTHMULSNJWSPQU-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H]1C ZINC000807988998 631898251 /nfs/dbraw/zinc/89/82/51/631898251.db2.gz XFZUCNRDWRHNCC-JTQLQIEISA-N 1 0 281.360 2.016 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cn3cnnc3)C2)cc1 ZINC000840127017 631909888 /nfs/dbraw/zinc/90/98/88/631909888.db2.gz QOOKLQAENYYPHZ-ZDUSSCGKSA-N 1 0 287.323 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000841043966 632340433 /nfs/dbraw/zinc/34/04/33/632340433.db2.gz ZVSQWPZTGREBPV-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064698 632383420 /nfs/dbraw/zinc/38/34/20/632383420.db2.gz TVDSJLSMUUCZGT-JOYOIKCWSA-N 1 0 283.759 2.336 20 5 CEBDRO CCO[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961389 632388784 /nfs/dbraw/zinc/38/87/84/632388784.db2.gz IWKIELDFSNXLKN-SWLSCSKDSA-N 1 0 295.383 2.212 20 5 CEBDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083446 632450857 /nfs/dbraw/zinc/45/08/57/632450857.db2.gz GWMHJXOHKRTACP-BXUZGUMPSA-N 1 0 280.324 2.051 20 5 CEBDRO Cn1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1Cl ZINC000815126779 632965371 /nfs/dbraw/zinc/96/53/71/632965371.db2.gz GGAPWIUZRQVWEK-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579747 633033338 /nfs/dbraw/zinc/03/33/38/633033338.db2.gz UDEUXZINIAEZQM-IINYFYTJSA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579813 633033380 /nfs/dbraw/zinc/03/33/80/633033380.db2.gz VOLIYSTUPVSSIB-SNVBAGLBSA-N 1 0 279.340 2.133 20 5 CEBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579812 633033633 /nfs/dbraw/zinc/03/36/33/633033633.db2.gz VOLIYSTUPVSSIB-JTQLQIEISA-N 1 0 279.340 2.133 20 5 CEBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618052 633039189 /nfs/dbraw/zinc/03/91/89/633039189.db2.gz CMPGYYPZFSQODR-VHSXEESVSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]CC[N+](=O)[O-] ZINC000899876950 633068389 /nfs/dbraw/zinc/06/83/89/633068389.db2.gz VXTZQPAUDYMOJQ-SECBINFHSA-N 1 0 287.157 2.246 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000817368848 633642612 /nfs/dbraw/zinc/64/26/12/633642612.db2.gz MTEGHOPHHUJMKA-GFCCVEGCSA-N 1 0 264.329 2.261 20 5 CEBDRO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981233 633824816 /nfs/dbraw/zinc/82/48/16/633824816.db2.gz HSALWHQADPTNMD-IINYFYTJSA-N 1 0 292.383 2.345 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@@H](C[NH3+])CC(C)C)c1[N+](=O)[O-] ZINC000818554747 633944397 /nfs/dbraw/zinc/94/43/97/633944397.db2.gz GACKQZNCJZQRME-LLVKDONJSA-N 1 0 297.330 2.146 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1cc(C[C@H]2CC[NH2+]C2)on1 ZINC000901396755 634090258 /nfs/dbraw/zinc/09/02/58/634090258.db2.gz XMROVTOXAPYYBI-SNVBAGLBSA-N 1 0 273.292 2.402 20 5 CEBDRO C[NH2+][C@@H](C)c1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398138 634090583 /nfs/dbraw/zinc/09/05/83/634090583.db2.gz JYQOTZGIROYEBR-ZETCQYMHSA-N 1 0 291.263 2.259 20 5 CEBDRO CC1(C)CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819247923 634116116 /nfs/dbraw/zinc/11/61/16/634116116.db2.gz RROXNFCHLDQEQX-KGLIPLIRSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819249954 634117802 /nfs/dbraw/zinc/11/78/02/634117802.db2.gz QEAKMBHYBSELRI-MPKXVKKWSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC(F)(F)C2)c1 ZINC000819326437 634140934 /nfs/dbraw/zinc/14/09/34/634140934.db2.gz OJFZZYNOJVHEKO-GFCCVEGCSA-N 1 0 286.278 2.263 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819374452 634160279 /nfs/dbraw/zinc/16/02/79/634160279.db2.gz MQURJVRXXUYNGM-BPLDGKMQSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@@H]([NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841072294 634309619 /nfs/dbraw/zinc/30/96/19/634309619.db2.gz NOVMGBLLBVHTES-SNVBAGLBSA-N 1 0 257.721 2.075 20 5 CEBDRO O=C(CC[N@@H+]1CCC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000902996852 634929770 /nfs/dbraw/zinc/92/97/70/634929770.db2.gz XXGWZODLQRNXQK-LLVKDONJSA-N 1 0 295.314 2.357 20 5 CEBDRO CC(C)(C)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822638865 634960663 /nfs/dbraw/zinc/96/06/63/634960663.db2.gz IQGIVRIQGAOMQI-UHFFFAOYSA-N 1 0 299.415 2.201 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092781 634975323 /nfs/dbraw/zinc/97/53/23/634975323.db2.gz LWVWPNOKMBPGGH-JQWIXIFHSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903097617 634977700 /nfs/dbraw/zinc/97/77/00/634977700.db2.gz HBMDIYCGRLLSEU-YGRLFVJLSA-N 1 0 282.340 2.271 20 5 CEBDRO Cc1ccc(-c2noc([C@@H]3CC[NH2+][C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000822722985 634981083 /nfs/dbraw/zinc/98/10/83/634981083.db2.gz MSYQJZAKGBEMQV-MWLCHTKSSA-N 1 0 288.307 2.419 20 5 CEBDRO Cc1c(Cc2noc([C@H](C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822861240 635014230 /nfs/dbraw/zinc/01/42/30/635014230.db2.gz BLZGUMMVBSYKEJ-SCZZXKLOSA-N 1 0 290.323 2.328 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903218934 635021681 /nfs/dbraw/zinc/02/16/81/635021681.db2.gz FZJUXALBDQRMPD-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903224352 635024462 /nfs/dbraw/zinc/02/44/62/635024462.db2.gz UWQORIMQBSRMPQ-PGUXBMHVSA-N 1 0 293.367 2.347 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000903289099 635052043 /nfs/dbraw/zinc/05/20/43/635052043.db2.gz NDGZGZBWBQPERQ-GKEDWUBWSA-N 1 0 274.320 2.421 20 5 CEBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823070111 635059676 /nfs/dbraw/zinc/05/96/76/635059676.db2.gz ZGXBYEONGSGBJK-RNFRBKRXSA-N 1 0 280.309 2.172 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903393743 635090239 /nfs/dbraw/zinc/09/02/39/635090239.db2.gz SHXNWTBBOSLFSH-JIMOISOXSA-N 1 0 262.309 2.207 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C1CC1 ZINC000903413047 635106346 /nfs/dbraw/zinc/10/63/46/635106346.db2.gz YYNHIIRDRZUEBC-MEBBXXQBSA-N 1 0 296.342 2.416 20 5 CEBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843987 635302627 /nfs/dbraw/zinc/30/26/27/635302627.db2.gz YZNDVVMGDSNJDA-GAFUQQFSSA-N 1 0 279.315 2.046 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824081243 635341758 /nfs/dbraw/zinc/34/17/58/635341758.db2.gz UHXBVUXSTOSTDG-BPLDGKMQSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824081247 635341871 /nfs/dbraw/zinc/34/18/71/635341871.db2.gz UHXBVUXSTOSTDG-NWANDNLSSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ncc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1C ZINC000824817383 635504979 /nfs/dbraw/zinc/50/49/79/635504979.db2.gz AGYNEMRBEPPGRU-UHFFFAOYSA-N 1 0 286.335 2.195 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000824893400 635519320 /nfs/dbraw/zinc/51/93/20/635519320.db2.gz REGPOQKLNUYTDA-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825984588 635740990 /nfs/dbraw/zinc/74/09/90/635740990.db2.gz CVPWKMADBMTKNC-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCS1 ZINC000905041063 635783586 /nfs/dbraw/zinc/78/35/86/635783586.db2.gz DVJIMHFDHNDKBJ-LBPRGKRZSA-N 1 0 294.380 2.104 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000905118666 635825012 /nfs/dbraw/zinc/82/50/12/635825012.db2.gz UYGICWLWCBXOFF-HNNXBMFYSA-N 1 0 278.352 2.337 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905423659 636274151 /nfs/dbraw/zinc/27/41/51/636274151.db2.gz QJALLCDLOKZVFF-ITDFMYJTSA-N 1 0 292.335 2.056 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905586398 636342367 /nfs/dbraw/zinc/34/23/67/636342367.db2.gz CWXCDIGLPYGHNB-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830161460 636996738 /nfs/dbraw/zinc/99/67/38/636996738.db2.gz RNKYJDWBDSUVED-IEHMKBBKSA-N 1 0 278.308 2.365 20 5 CEBDRO [NH3+]C1(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000831217732 637256705 /nfs/dbraw/zinc/25/67/05/637256705.db2.gz JBXYJWXXUZZCEH-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832575127 637617971 /nfs/dbraw/zinc/61/79/71/637617971.db2.gz XPICXYGCONNGQO-RBSFLKMASA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC000876659776 650383919 /nfs/dbraw/zinc/38/39/19/650383919.db2.gz FXBLWQFHWYOGLD-LBPRGKRZSA-N 1 0 264.325 2.026 20 5 CEBDRO CC[N@H+](CCCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876766896 650425240 /nfs/dbraw/zinc/42/52/40/650425240.db2.gz VPTFNULCEPKOMM-UHFFFAOYSA-N 1 0 266.341 2.416 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876793478 650434934 /nfs/dbraw/zinc/43/49/34/650434934.db2.gz DTNJGNGFTKOPQZ-SNVBAGLBSA-N 1 0 287.319 2.215 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCCC[NH3+] ZINC000876938175 650495564 /nfs/dbraw/zinc/49/55/64/650495564.db2.gz TZZXXFZWEGXBOZ-UHFFFAOYSA-N 1 0 293.367 2.461 20 5 CEBDRO CC[N@H+](CCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000227551339 639596989 /nfs/dbraw/zinc/59/69/89/639596989.db2.gz WCACKSFIBRYTFW-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO [NH3+]C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841010222 639616270 /nfs/dbraw/zinc/61/62/70/639616270.db2.gz CUJUCOHGYGYOMA-UHFFFAOYSA-N 1 0 298.730 2.203 20 5 CEBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000841050177 639633024 /nfs/dbraw/zinc/63/30/24/639633024.db2.gz YVZFBPNVVZTRAF-UHFFFAOYSA-N 1 0 269.732 2.219 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841058018 639635418 /nfs/dbraw/zinc/63/54/18/639635418.db2.gz DWDAIRJIZHZISK-JOYOIKCWSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064132 639639326 /nfs/dbraw/zinc/63/93/26/639639326.db2.gz YXVVRUGMVGHCHM-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO C[S@](=O)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229229697 639684870 /nfs/dbraw/zinc/68/48/70/639684870.db2.gz HFEVVIZZMNWYSJ-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO CCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898664 639821193 /nfs/dbraw/zinc/82/11/93/639821193.db2.gz WMADLXVURTUXED-UHFFFAOYSA-N 1 0 275.312 2.153 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063166967 639836584 /nfs/dbraw/zinc/83/65/84/639836584.db2.gz QSPLZRFEWVXSOG-LLVKDONJSA-N 1 0 269.370 2.230 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885675 639882261 /nfs/dbraw/zinc/88/22/61/639882261.db2.gz VZPHBCYGNHNAAD-UHFFFAOYSA-N 1 0 280.324 2.192 20 5 CEBDRO CCC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063730519 639887181 /nfs/dbraw/zinc/88/71/81/639887181.db2.gz XRQKVGDGXMOMCI-UHFFFAOYSA-N 1 0 275.312 2.153 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841891629 639901393 /nfs/dbraw/zinc/90/13/93/639901393.db2.gz NEKBKLPBDZVQJT-WVSHTKLVSA-N 1 0 270.716 2.251 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841891848 639901433 /nfs/dbraw/zinc/90/14/33/639901433.db2.gz QNLTWASJQGHNSM-WVSHTKLVSA-N 1 0 270.716 2.251 20 5 CEBDRO Cc1cc(Cc2noc([C@H]3C[C@@H]([NH3+])C3)n2)ccc1[N+](=O)[O-] ZINC000843191721 640343417 /nfs/dbraw/zinc/34/34/17/640343417.db2.gz KYGFWQIBEMMZQA-PHIMTYICSA-N 1 0 288.307 2.082 20 5 CEBDRO Cc1c(-c2noc(C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000843237434 640364469 /nfs/dbraw/zinc/36/44/69/640364469.db2.gz AVHVIESAFHUTBO-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1cc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843240307 640366195 /nfs/dbraw/zinc/36/61/95/640366195.db2.gz UXADSOVZYDDHGN-GFCCVEGCSA-N 1 0 288.307 2.233 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844385461 640702778 /nfs/dbraw/zinc/70/27/78/640702778.db2.gz JVQNNRRWGZWIFM-UHFFFAOYSA-N 1 0 298.726 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844469778 640740902 /nfs/dbraw/zinc/74/09/02/640740902.db2.gz DZTLNDDMDYUGBM-STQMWFEESA-N 1 0 298.289 2.359 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000849331855 642334540 /nfs/dbraw/zinc/33/45/40/642334540.db2.gz XVRARFJZBLTXBG-RYUDHWBXSA-N 1 0 286.278 2.263 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCSC3)C2)c1 ZINC000877532150 650771702 /nfs/dbraw/zinc/77/17/02/650771702.db2.gz GQPOKZQMQJLZGJ-UNXYVOJBSA-N 1 0 296.396 2.228 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCSC3)C2)c1 ZINC000877532151 650771971 /nfs/dbraw/zinc/77/19/71/650771971.db2.gz GQPOKZQMQJLZGJ-VOMCLLRMSA-N 1 0 296.396 2.228 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)OC)cc1[N+](=O)[O-] ZINC000850479430 642726161 /nfs/dbraw/zinc/72/61/61/642726161.db2.gz SSVFOEZIYJTMLN-LLVKDONJSA-N 1 0 297.355 2.137 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000923033797 643521686 /nfs/dbraw/zinc/52/16/86/643521686.db2.gz CLODRCONBJUMRT-SWLSCSKDSA-N 1 0 274.320 2.396 20 5 CEBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000852761376 643541797 /nfs/dbraw/zinc/54/17/97/643541797.db2.gz VINHYNGFFIOEJA-VXGBXAGGSA-N 1 0 287.722 2.119 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923503422 643739481 /nfs/dbraw/zinc/73/94/81/643739481.db2.gz IBMKVEPBGSLQEB-RYUDHWBXSA-N 1 0 263.341 2.012 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536794 643754795 /nfs/dbraw/zinc/75/47/95/643754795.db2.gz QDCYTFYHLSGWRM-HNNXBMFYSA-N 1 0 275.352 2.313 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000877740245 650882167 /nfs/dbraw/zinc/88/21/67/650882167.db2.gz JKAZQYJFRHPQFA-SWLSCSKDSA-N 1 0 293.342 2.260 20 5 CEBDRO CC(C)([NH2+]C[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000839024700 644127595 /nfs/dbraw/zinc/12/75/95/644127595.db2.gz ZLVSMGWSPAGMSW-CYBMUJFWSA-N 1 0 264.325 2.190 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000877751962 650894836 /nfs/dbraw/zinc/89/48/36/650894836.db2.gz ABNRISAKZAGQEB-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO CON1CCC([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000839130156 644168241 /nfs/dbraw/zinc/16/82/41/644168241.db2.gz VUNFOFPXDFTSID-UHFFFAOYSA-N 1 0 297.330 2.192 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(C3CC3)CC2)c1 ZINC000754360226 644362333 /nfs/dbraw/zinc/36/23/33/644362333.db2.gz BLLDWZMAWYNWLD-CYBMUJFWSA-N 1 0 262.309 2.160 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000754832756 644437536 /nfs/dbraw/zinc/43/75/36/644437536.db2.gz KFNKILDIVHZWGW-LLVKDONJSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903107 650942678 /nfs/dbraw/zinc/94/26/78/650942678.db2.gz JLXWMUIKEISVPO-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO CCC[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756999232 644716756 /nfs/dbraw/zinc/71/67/56/644716756.db2.gz YKNFRRLEBBUUJU-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO COC1([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000839658123 644765056 /nfs/dbraw/zinc/76/50/56/644765056.db2.gz BARYRPDBYOKLSU-RISCZKNCSA-N 1 0 294.351 2.175 20 5 CEBDRO COC1([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000839658122 644765624 /nfs/dbraw/zinc/76/56/24/644765624.db2.gz BARYRPDBYOKLSU-FZMZJTMJSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669142 644777880 /nfs/dbraw/zinc/77/78/80/644777880.db2.gz MKCPGMSUNRDBPE-WDEREUQCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859645872 645553484 /nfs/dbraw/zinc/55/34/84/645553484.db2.gz JYHOYKMVRDYIMI-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740240 645572905 /nfs/dbraw/zinc/57/29/05/645572905.db2.gz YVDFMJAFZCBRNV-MFKMUULPSA-N 1 0 290.319 2.341 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859829437 645622702 /nfs/dbraw/zinc/62/27/02/645622702.db2.gz QJLRZNUGURCORG-KAEXTRBYSA-N 1 0 294.351 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859921052 645653529 /nfs/dbraw/zinc/65/35/29/645653529.db2.gz CAVZMKREQQJPRN-SWLSCSKDSA-N 1 0 294.326 2.328 20 5 CEBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849913 645816346 /nfs/dbraw/zinc/81/63/46/645816346.db2.gz UVXKLHGAJZADMM-JMSVASOKSA-N 1 0 294.351 2.033 20 5 CEBDRO COc1ccc(C[N@H+](C)CCCF)cc1[N+](=O)[O-] ZINC000766879277 645931794 /nfs/dbraw/zinc/93/17/94/645931794.db2.gz WPUPKXRMMPJWQI-UHFFFAOYSA-N 1 0 256.277 2.395 20 5 CEBDRO CO[C@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303778 651059995 /nfs/dbraw/zinc/05/99/95/651059995.db2.gz YZFQACBDOIUWAW-BJHJDKERSA-N 1 0 276.336 2.378 20 5 CEBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862487901 646478698 /nfs/dbraw/zinc/47/86/98/646478698.db2.gz XPIWEFJUOWHQDT-ZDUSSCGKSA-N 1 0 290.319 2.336 20 5 CEBDRO [NH2+]=C(NCCC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000864454429 647009994 /nfs/dbraw/zinc/00/99/94/647009994.db2.gz WZQWPHXEBSGBMG-UHFFFAOYSA-N 1 0 262.313 2.009 20 5 CEBDRO CCC(CC)NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000864459509 647014799 /nfs/dbraw/zinc/01/47/99/647014799.db2.gz ANVMEJDURZWHMX-UHFFFAOYSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776589961 647075783 /nfs/dbraw/zinc/07/57/83/647075783.db2.gz XQINNYNHWCLAOE-JTNHKYCSSA-N 1 0 264.325 2.216 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865405129 647277726 /nfs/dbraw/zinc/27/77/26/647277726.db2.gz XCHBMEWPAPWLFU-LLVKDONJSA-N 1 0 297.330 2.122 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865405130 647277777 /nfs/dbraw/zinc/27/77/77/647277777.db2.gz XCHBMEWPAPWLFU-NSHDSACASA-N 1 0 297.330 2.122 20 5 CEBDRO C[C@H]1C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1C ZINC000865557173 647358374 /nfs/dbraw/zinc/35/83/74/647358374.db2.gz JFEAKLXVWCMHFE-GXSJLCMTSA-N 1 0 297.330 2.121 20 5 CEBDRO COc1cc(C[NH2+]C[C@H]2CCC=CO2)c([N+](=O)[O-])cc1O ZINC000780568129 647446506 /nfs/dbraw/zinc/44/65/06/647446506.db2.gz WNJFEERVXMRRGT-LLVKDONJSA-N 1 0 294.307 2.091 20 5 CEBDRO COc1cc(C[NH2+]CCC(C)(C)OC)c([N+](=O)[O-])cc1O ZINC000865755759 647453615 /nfs/dbraw/zinc/45/36/15/647453615.db2.gz IELOJYYSKCNLOE-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865815705 647475786 /nfs/dbraw/zinc/47/57/86/647475786.db2.gz JLFUNLREROMVLI-JTQLQIEISA-N 1 0 299.346 2.367 20 5 CEBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000866113286 647615383 /nfs/dbraw/zinc/61/53/83/647615383.db2.gz YMKOHEPTEOBQFZ-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866204416 647667563 /nfs/dbraw/zinc/66/75/63/647667563.db2.gz CNXFWTZHAJCDAS-MWLCHTKSSA-N 1 0 296.758 2.174 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206822 647670716 /nfs/dbraw/zinc/67/07/16/647670716.db2.gz FZTZTANZLCGKQV-QWHCGFSZSA-N 1 0 275.352 2.434 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215487 647676216 /nfs/dbraw/zinc/67/62/16/647676216.db2.gz YPEDMOPWCYQZHH-CABZTGNLSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000866218204 647677150 /nfs/dbraw/zinc/67/71/50/647677150.db2.gz LWRUVOJZGOUZOX-NSHDSACASA-N 1 0 295.358 2.349 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866271162 647709681 /nfs/dbraw/zinc/70/96/81/647709681.db2.gz DZALFBVJDFIYOP-ZWNOBZJWSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCC1 ZINC000866385856 647767410 /nfs/dbraw/zinc/76/74/10/647767410.db2.gz RHUFPOQYXDNSDN-HZMBPMFUSA-N 1 0 296.342 2.416 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866717526 647880655 /nfs/dbraw/zinc/88/06/55/647880655.db2.gz HIGYTGXTARTYJR-LSDHHAIUSA-N 1 0 289.379 2.477 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724915 647883486 /nfs/dbraw/zinc/88/34/86/647883486.db2.gz NXTTVAQATXQNGV-OCCSQVGLSA-N 1 0 279.315 2.060 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724914 647883882 /nfs/dbraw/zinc/88/38/82/647883882.db2.gz NXTTVAQATXQNGV-JSGCOSHPSA-N 1 0 279.315 2.060 20 5 CEBDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC[N+](=O)[O-])C3)nc2c1 ZINC000791054655 648476902 /nfs/dbraw/zinc/47/69/02/648476902.db2.gz NJJQYTWURCABBI-GFCCVEGCSA-N 1 0 288.351 2.327 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000792195836 648623204 /nfs/dbraw/zinc/62/32/04/648623204.db2.gz GACFOIGIQHCUQO-OLZOCXBDSA-N 1 0 292.335 2.335 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000870962998 648963596 /nfs/dbraw/zinc/96/35/96/648963596.db2.gz UPIZOURGZSXJFQ-CHWSQXEVSA-N 1 0 291.351 2.037 20 5 CEBDRO [NH2+]=C(COC1CCC1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000871775617 649180400 /nfs/dbraw/zinc/18/04/00/649180400.db2.gz NQHUGPOVNJEZSM-UHFFFAOYSA-N 1 0 297.286 2.301 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872036100 649249348 /nfs/dbraw/zinc/24/93/48/649249348.db2.gz RVEQONTWHRJVEY-DTWKUNHWSA-N 1 0 256.277 2.155 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872046017 649253182 /nfs/dbraw/zinc/25/31/82/649253182.db2.gz CVCLFUANFOFKTR-QMMMGPOBSA-N 1 0 294.286 2.319 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129829 649287778 /nfs/dbraw/zinc/28/77/78/649287778.db2.gz WXWCXTRZODJRRM-RSLMWUCJSA-N 1 0 292.335 2.443 20 5 CEBDRO COC(C)(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872225395 649322183 /nfs/dbraw/zinc/32/21/83/649322183.db2.gz ACXHKLQMZSSWBM-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCN1C ZINC000873023770 649534721 /nfs/dbraw/zinc/53/47/21/649534721.db2.gz WAMDEELCTDFZDR-CYBMUJFWSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccn(C)n1 ZINC000873104239 649558855 /nfs/dbraw/zinc/55/88/55/649558855.db2.gz LBODKZZTWIVQNU-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873297231 649632704 /nfs/dbraw/zinc/63/27/04/649632704.db2.gz UTCWBKZOZLFFBF-AVGNSLFASA-N 1 0 293.367 2.012 20 5 CEBDRO C=C/C=C/CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878696074 651167082 /nfs/dbraw/zinc/16/70/82/651167082.db2.gz UANNRTXHQXADEU-ONEGZZNKSA-N 1 0 288.351 2.244 20 5 CEBDRO C[C@@H]1c2sccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000880378087 651432970 /nfs/dbraw/zinc/43/29/70/651432970.db2.gz NUAVTOBFRMCWOB-SNVBAGLBSA-N 1 0 292.364 2.472 20 5 CEBDRO CCOc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000880440132 651441691 /nfs/dbraw/zinc/44/16/91/651441691.db2.gz SUOFIDPYBTUZSA-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CC(=O)c1c(NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881849490 651900830 /nfs/dbraw/zinc/90/08/30/651900830.db2.gz PAIVOWLEUNLTPY-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881856267 651901160 /nfs/dbraw/zinc/90/11/60/651901160.db2.gz JHNGDLSIMMNBQK-SNVBAGLBSA-N 1 0 282.319 2.271 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000882100298 651963130 /nfs/dbraw/zinc/96/31/30/651963130.db2.gz BFBSTYPXWLJIRQ-WDEREUQCSA-N 1 0 294.330 2.049 20 5 CEBDRO C[N@H+](CCCCNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000882435735 652070091 /nfs/dbraw/zinc/07/00/91/652070091.db2.gz KPNVHSXZZSIESJ-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] ZINC000883178520 652390689 /nfs/dbraw/zinc/39/06/89/652390689.db2.gz YMZAPFQPMNTGFQ-AWEZNQCLSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000884033446 652643447 /nfs/dbraw/zinc/64/34/47/652643447.db2.gz NRLWSFBOMWJJHO-ZYHUDNBSSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000134758603 652873466 /nfs/dbraw/zinc/87/34/66/652873466.db2.gz JDJOVCRVUGZEJX-STQMWFEESA-N 1 0 282.365 2.113 20 5 CEBDRO CC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000135050564 652917336 /nfs/dbraw/zinc/91/73/36/652917336.db2.gz JLORNIRIZIZTCU-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@@H](C)C[N@@H+]1C ZINC001164630042 719152352 /nfs/dbraw/zinc/15/23/52/719152352.db2.gz FULNUZQBLJDRIJ-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1nc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268529412 721930918 /nfs/dbraw/zinc/93/09/18/721930918.db2.gz WWGABTVAVVDCOH-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO CC1(Nc2ccc3nsnc3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168186195 806386688 /nfs/dbraw/zinc/38/66/88/806386688.db2.gz UJMRKSUZGRGHHZ-UHFFFAOYSA-N 1 0 293.352 2.154 20 5 CEBDRO COc1cc(NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001168316029 806649959 /nfs/dbraw/zinc/64/99/59/806649959.db2.gz SPDCJNFCFSUTLD-UHFFFAOYSA-N 1 0 279.340 2.416 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2cc(Cl)ncc2[N+](=O)[O-])c1C ZINC001167098130 802471135 /nfs/dbraw/zinc/47/11/35/802471135.db2.gz DLUIZDVGJSLCPT-UHFFFAOYSA-N 1 0 295.730 2.165 20 5 CEBDRO Cc1c(N[C@H]2CC[N@@H+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001167275086 802622507 /nfs/dbraw/zinc/62/25/07/802622507.db2.gz DPYWDRBEVCPQIX-JTQLQIEISA-N 1 0 253.277 2.158 20 5 CEBDRO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001115829105 814759122 /nfs/dbraw/zinc/75/91/22/814759122.db2.gz DINOPKDCQPGINK-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218283940 803576649 /nfs/dbraw/zinc/57/66/49/803576649.db2.gz MHZXGFDRMZMQTG-SNVBAGLBSA-N 1 0 256.689 2.379 20 5 CEBDRO Cc1cc(O[C@H]2C[NH2+][C@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218389308 803596589 /nfs/dbraw/zinc/59/65/89/803596589.db2.gz YBWUCXUGSWVVQK-JQWIXIFHSA-N 1 0 250.298 2.259 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261811689 804986248 /nfs/dbraw/zinc/98/62/48/804986248.db2.gz SKFFNKJIZXPBEH-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225667452 805110890 /nfs/dbraw/zinc/11/08/90/805110890.db2.gz SFMQZCZWNJQIQI-SECBINFHSA-N 1 0 257.285 2.207 20 5 CEBDRO CSC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001119090814 815070128 /nfs/dbraw/zinc/07/01/28/815070128.db2.gz NYIZAWPRQICYML-LBPRGKRZSA-N 1 0 284.381 2.107 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000696035775 807127843 /nfs/dbraw/zinc/12/78/43/807127843.db2.gz YPHBWVWGODEVTJ-SECBINFHSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000699780856 807841812 /nfs/dbraw/zinc/84/18/12/807841812.db2.gz CMDQMAQEKHLSPT-PELKAZGASA-N 1 0 270.716 2.373 20 5 CEBDRO CCC1(Nc2cc([N+](=O)[O-])cc(F)c2C)C[NH2+]C1 ZINC001168586179 808678500 /nfs/dbraw/zinc/67/85/00/808678500.db2.gz GOOYGKKMQRYZSF-UHFFFAOYSA-N 1 0 253.277 2.206 20 5 CEBDRO CCOc1cc(NC2(CC)C[NH2+]C2)ccc1[N+](=O)[O-] ZINC001168587792 808679924 /nfs/dbraw/zinc/67/99/24/808679924.db2.gz WFQXNYSYFNEYNN-UHFFFAOYSA-N 1 0 265.313 2.157 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000073587230 808734875 /nfs/dbraw/zinc/73/48/75/808734875.db2.gz QQXNBEBYSWEEHD-QWRGUYRKSA-N 1 0 252.318 2.259 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001116770536 808876872 /nfs/dbraw/zinc/87/68/72/808876872.db2.gz GKUHKVWITHDBTJ-CHWSQXEVSA-N 1 0 292.335 2.335 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccnc2)cc1 ZINC001120600512 815244193 /nfs/dbraw/zinc/24/41/93/815244193.db2.gz YMYXGAZQKQMFIJ-ARFHVFGLSA-N 1 0 299.330 2.169 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000700628001 809333299 /nfs/dbraw/zinc/33/32/99/809333299.db2.gz WNIFWXZERJFYIO-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700628002 809333660 /nfs/dbraw/zinc/33/36/60/809333660.db2.gz WNIFWXZERJFYIO-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608038 809670701 /nfs/dbraw/zinc/67/07/01/809670701.db2.gz PKXUNMMBPRTVQQ-OSAQELSMSA-N 1 0 275.352 2.197 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000704518466 809738004 /nfs/dbraw/zinc/73/80/04/809738004.db2.gz LTTISUNXDWLOBL-CQSZACIVSA-N 1 0 281.331 2.164 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000708388474 809928551 /nfs/dbraw/zinc/92/85/51/809928551.db2.gz LXNCVUFZFUNIBK-ZDUSSCGKSA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1ncc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711396 810304035 /nfs/dbraw/zinc/30/40/35/810304035.db2.gz YCWOJQZKISAMHW-CYBMUJFWSA-N 1 0 293.348 2.183 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000824614967 810703868 /nfs/dbraw/zinc/70/38/68/810703868.db2.gz HGWBWKSBKNIYDD-NSHDSACASA-N 1 0 294.355 2.142 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000714022523 810995456 /nfs/dbraw/zinc/99/54/56/810995456.db2.gz SHWMCRFMPBGHQG-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC001122509309 815419324 /nfs/dbraw/zinc/41/93/24/815419324.db2.gz UDUUKOQKZANHRH-JTQLQIEISA-N 1 0 297.380 2.166 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001168836511 811263632 /nfs/dbraw/zinc/26/36/32/811263632.db2.gz OKYCAQJXUQLDTP-UHFFFAOYSA-N 1 0 294.261 2.365 20 5 CEBDRO CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976698 811305088 /nfs/dbraw/zinc/30/50/88/811305088.db2.gz FEBAJRWKOPIAFY-SRVKXCTJSA-N 1 0 256.346 2.169 20 5 CEBDRO [NH3+]CC[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979220 811307842 /nfs/dbraw/zinc/30/78/42/811307842.db2.gz XFWBBPYPQAFCQL-MJBXVCDLSA-N 1 0 289.379 2.384 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168978625 811308106 /nfs/dbraw/zinc/30/81/06/811308106.db2.gz TVCVTRUFAHJVOM-AVGNSLFASA-N 1 0 263.341 2.486 20 5 CEBDRO Cc1cccc(C(=[NH2+])N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168982932 811310243 /nfs/dbraw/zinc/31/02/43/811310243.db2.gz JGBXEUPLHWFPLC-YPMHNXCESA-N 1 0 261.325 2.355 20 5 CEBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984777 811310721 /nfs/dbraw/zinc/31/07/21/811310721.db2.gz AGGZTZRYQKSTDZ-XDQVBPFNSA-N 1 0 298.383 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccc(F)cc32)C1 ZINC001168984668 811311380 /nfs/dbraw/zinc/31/13/80/811311380.db2.gz PQJHSZIPXJQRNT-SUZMYJTESA-N 1 0 280.299 2.294 20 5 CEBDRO Cc1cccnc1CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958975 811314021 /nfs/dbraw/zinc/31/40/21/811314021.db2.gz RTZWGOVQQIBHHG-ZIAGYGMSSA-N 1 0 277.368 2.358 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001168965288 811317306 /nfs/dbraw/zinc/31/73/06/811317306.db2.gz YZBZPNNHQMWDSR-WDEREUQCSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC001168965905 811317414 /nfs/dbraw/zinc/31/74/14/811317414.db2.gz DHVUAMTVOMQRJA-MRVWCRGKSA-N 1 0 276.336 2.025 20 5 CEBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966286 811318215 /nfs/dbraw/zinc/31/82/15/811318215.db2.gz HMSSQOALLCCGFO-UONOGXRCSA-N 1 0 291.351 2.180 20 5 CEBDRO CC(C)Cn1cnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996999 811324571 /nfs/dbraw/zinc/32/45/71/811324571.db2.gz ASKRGVZVHXCFRC-STQMWFEESA-N 1 0 280.372 2.074 20 5 CEBDRO COc1ccc(F)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996663 811324947 /nfs/dbraw/zinc/32/49/47/811324947.db2.gz WSQAADBMXOGLFM-JQWIXIFHSA-N 1 0 282.315 2.369 20 5 CEBDRO Cc1ccc(C2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001168992022 811325714 /nfs/dbraw/zinc/32/57/14/811325714.db2.gz JADCGBDIWYUHRC-UONOGXRCSA-N 1 0 289.379 2.457 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001169005476 811330067 /nfs/dbraw/zinc/33/00/67/811330067.db2.gz UUIDKONDZPDWAF-GBIKHYSHSA-N 1 0 267.304 2.317 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169005256 811330099 /nfs/dbraw/zinc/33/00/99/811330099.db2.gz ABUFBAQIRNHMQO-HOCLYGCPSA-N 1 0 295.427 2.382 20 5 CEBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987223 811336466 /nfs/dbraw/zinc/33/64/66/811336466.db2.gz HQRMGNIODHAYDX-TYNCELHUSA-N 1 0 296.342 2.203 20 5 CEBDRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168988583 811338364 /nfs/dbraw/zinc/33/83/64/811338364.db2.gz SPOZLWKPHFIISM-OLZOCXBDSA-N 1 0 294.351 2.326 20 5 CEBDRO CSC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033002 811343584 /nfs/dbraw/zinc/34/35/84/811343584.db2.gz AWVADLHCMLWKLU-QWRGUYRKSA-N 1 0 258.387 2.259 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001169030300 811343690 /nfs/dbraw/zinc/34/36/90/811343690.db2.gz YFRZYPIMZJAQMO-SNPRPXQTSA-N 1 0 275.352 2.316 20 5 CEBDRO C[N@H+](Cc1nccs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036549 811345611 /nfs/dbraw/zinc/34/56/11/811345611.db2.gz GMHOSYIXASCLED-NXEZZACHSA-N 1 0 255.343 2.020 20 5 CEBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039169 811348863 /nfs/dbraw/zinc/34/88/63/811348863.db2.gz NWYOTPMTSBMAKX-KCQAQPDRSA-N 1 0 298.383 2.097 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])c1 ZINC001169725198 811626755 /nfs/dbraw/zinc/62/67/55/811626755.db2.gz AASHVFAOUYVZSO-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CN(c1cc(Cl)ncc1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156956173 811972832 /nfs/dbraw/zinc/97/28/32/811972832.db2.gz NEPWHXXDZACGNP-GFCCVEGCSA-N 1 0 284.747 2.222 20 5 CEBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001170254091 812372429 /nfs/dbraw/zinc/37/24/29/812372429.db2.gz IFMVKAHKTAOSEM-UHFFFAOYSA-N 1 0 260.297 2.050 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CCCCCO)c([N+](=O)[O-])c1 ZINC001170298668 812376335 /nfs/dbraw/zinc/37/63/35/812376335.db2.gz NMNHODYYAQKSNB-GFCCVEGCSA-N 1 0 296.367 2.287 20 5 CEBDRO CCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304503 812380180 /nfs/dbraw/zinc/38/01/80/812380180.db2.gz CQXDNVZIRQNVIX-YPMHNXCESA-N 1 0 296.367 2.285 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@]2(C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170310446 812384117 /nfs/dbraw/zinc/38/41/17/812384117.db2.gz WFPDXXIWWVNQGS-IXPVHAAZSA-N 1 0 294.351 2.037 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCCO)CC2 ZINC001172895648 815542648 /nfs/dbraw/zinc/54/26/48/815542648.db2.gz GTZGXPPVOWOWGC-AWEZNQCLSA-N 1 0 278.352 2.204 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001170620821 812877141 /nfs/dbraw/zinc/87/71/41/812877141.db2.gz UBKOEBFUTQPFPO-JGVFFNPUSA-N 1 0 270.720 2.325 20 5 CEBDRO Cc1ccnc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001158756541 812967020 /nfs/dbraw/zinc/96/70/20/812967020.db2.gz AURQOMZEXCIJSO-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170865217 813561411 /nfs/dbraw/zinc/56/14/11/813561411.db2.gz KPJOOBYNVUYEEE-JTQLQIEISA-N 1 0 293.245 2.083 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170864035 813562911 /nfs/dbraw/zinc/56/29/11/813562911.db2.gz QRPQHRLYYBWTFR-CQSZACIVSA-N 1 0 281.356 2.362 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000712572010 814767208 /nfs/dbraw/zinc/76/72/08/814767208.db2.gz LHJAKHWLXPZQLW-RISCZKNCSA-N 1 0 263.341 2.340 20 5 CEBDRO CCOC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215836 815623806 /nfs/dbraw/zinc/62/38/06/815623806.db2.gz FKRUGTGRXLFYPK-NWDGAFQWSA-N 1 0 294.351 2.457 20 5 CEBDRO Cc1ncncc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218545 815624772 /nfs/dbraw/zinc/62/47/72/815624772.db2.gz BSZOYTVCBDRWPB-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](CO)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221723 815626486 /nfs/dbraw/zinc/62/64/86/815626486.db2.gz PKEJQVFTMPDWBC-VXGBXAGGSA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001173223092 815628057 /nfs/dbraw/zinc/62/80/57/815628057.db2.gz XMYZCPCFFOXCEM-FPMFFAJLSA-N 1 0 276.336 2.104 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222223 815628151 /nfs/dbraw/zinc/62/81/51/815628151.db2.gz QSBRGDUKIWDORJ-YPMHNXCESA-N 1 0 292.335 2.021 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH+](C)C ZINC001173230013 815630566 /nfs/dbraw/zinc/63/05/66/815630566.db2.gz WZWZJIOHHDOEHL-ZDUSSCGKSA-N 1 0 279.384 2.409 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCOC1 ZINC001173229171 815631345 /nfs/dbraw/zinc/63/13/45/815631345.db2.gz LTSNRBLYMXDATC-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC001173231283 815632294 /nfs/dbraw/zinc/63/22/94/815632294.db2.gz AUBAGUVOJWQVTP-XUJVJEKNSA-N 1 0 278.352 2.371 20 5 CEBDRO COC(C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173234003 815632538 /nfs/dbraw/zinc/63/25/38/815632538.db2.gz NUVFCQJOVMEPDC-NSHDSACASA-N 1 0 282.340 2.077 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC001173231311 815632843 /nfs/dbraw/zinc/63/28/43/815632843.db2.gz BEESARXCBAPPGY-ZDUSSCGKSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CC1)C1COC1 ZINC001173231908 815633224 /nfs/dbraw/zinc/63/32/24/815633224.db2.gz DNCSYNAFMBYJLV-LLVKDONJSA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCC1 ZINC001173210331 815635459 /nfs/dbraw/zinc/63/54/59/815635459.db2.gz IXWHTLNULDYSFP-LBPRGKRZSA-N 1 0 278.352 2.421 20 5 CEBDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211144 815635848 /nfs/dbraw/zinc/63/58/48/815635848.db2.gz PVJZSZUNFDHXBM-LBPRGKRZSA-N 1 0 286.335 2.414 20 5 CEBDRO C[NH+](C)CC1(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000296772938 282080129 /nfs/dbraw/zinc/08/01/29/282080129.db2.gz MVMRAQMWYAVWBI-UHFFFAOYSA-N 1 0 289.339 2.367 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298730 346815017 /nfs/dbraw/zinc/81/50/17/346815017.db2.gz KDLSQEDKVKPFJO-GZMMTYOYSA-N 1 0 274.267 2.262 20 5 CEBDRO COC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103725 282100973 /nfs/dbraw/zinc/10/09/73/282100973.db2.gz BXUMXMUTBOBBIM-VXGBXAGGSA-N 1 0 266.341 2.398 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103722 282100999 /nfs/dbraw/zinc/10/09/99/282100999.db2.gz BXUMXMUTBOBBIM-NWDGAFQWSA-N 1 0 266.341 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000127738589 187329818 /nfs/dbraw/zinc/32/98/18/187329818.db2.gz ALLINCLONFXRQD-ZDUSSCGKSA-N 1 0 293.367 2.349 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000449122401 282108483 /nfs/dbraw/zinc/10/84/83/282108483.db2.gz LGFGKPFSNXHIPP-DGCLKSJQSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000035054373 361807005 /nfs/dbraw/zinc/80/70/05/361807005.db2.gz IBORMSJGIIWXSP-UHFFFAOYSA-N 1 0 275.352 2.311 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929077 343994731 /nfs/dbraw/zinc/99/47/31/343994731.db2.gz DVGHNWNERQMDPC-GXTWGEPZSA-N 1 0 291.351 2.304 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794623 361859543 /nfs/dbraw/zinc/85/95/43/361859543.db2.gz GYCHDOQNXMVWCJ-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037138332 361899617 /nfs/dbraw/zinc/89/96/17/361899617.db2.gz DYJSYCFFPLDIRF-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000449222140 282147102 /nfs/dbraw/zinc/14/71/02/282147102.db2.gz VOGIPLZYPMZGLM-ZDUSSCGKSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000449260805 282161648 /nfs/dbraw/zinc/16/16/48/282161648.db2.gz XYPKLUDHUATQNB-DDTOSNHZSA-N 1 0 278.352 2.275 20 5 CEBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879177 187203398 /nfs/dbraw/zinc/20/33/98/187203398.db2.gz WUHBMTIOERYVFK-AAEUAGOBSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041063986 362016646 /nfs/dbraw/zinc/01/66/46/362016646.db2.gz JCWJMQKTHKPWNC-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)F)cc1 ZINC000042343026 362085294 /nfs/dbraw/zinc/08/52/94/362085294.db2.gz XQGHGGRBJKPWRN-UHFFFAOYSA-N 1 0 278.230 2.263 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000126496344 187243860 /nfs/dbraw/zinc/24/38/60/187243860.db2.gz VYDBSPCPABQNSP-NSHDSACASA-N 1 0 293.367 2.469 20 5 CEBDRO CCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000008130529 343361506 /nfs/dbraw/zinc/36/15/06/343361506.db2.gz AXGLPFCJPBRRSG-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000005532367 343354610 /nfs/dbraw/zinc/35/46/10/343354610.db2.gz CXVAHXOFRPUVFY-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000029606050 343400524 /nfs/dbraw/zinc/40/05/24/343400524.db2.gz YJQQWZILBAIBEJ-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000031825894 343410962 /nfs/dbraw/zinc/41/09/62/343410962.db2.gz PKIKRDVZHJFSRC-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccccn2)cc1 ZINC000035677584 343421866 /nfs/dbraw/zinc/42/18/66/343421866.db2.gz MPXFRGZQDBFNIH-UHFFFAOYSA-N 1 0 271.320 2.365 20 5 CEBDRO Cc1ccc(OCc2nc(C(C)(C)[NH3+])no2)c([N+](=O)[O-])c1 ZINC000043402685 343463769 /nfs/dbraw/zinc/46/37/69/343463769.db2.gz QCAVSIAZZZBKEO-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO Cc1cccc(OCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000043497992 343464694 /nfs/dbraw/zinc/46/46/94/343464694.db2.gz NCAWXALYSCDZIK-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO CC1CC[NH+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046957856 343507944 /nfs/dbraw/zinc/50/79/44/343507944.db2.gz LEBRXORCPZSFRP-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052101817 343555819 /nfs/dbraw/zinc/55/58/19/343555819.db2.gz IDXPJBNBGZWVJE-WDEREUQCSA-N 1 0 295.387 2.312 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160104 343557029 /nfs/dbraw/zinc/55/70/29/343557029.db2.gz KWXJSSFPOPAECO-WDEREUQCSA-N 1 0 295.387 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000052428339 343560661 /nfs/dbraw/zinc/56/06/61/343560661.db2.gz LFJRFXLMKFVEMX-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415759565 529730453 /nfs/dbraw/zinc/73/04/53/529730453.db2.gz JBEGDKPOUDYZDP-NSHDSACASA-N 1 0 292.339 2.031 20 5 CEBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000055538869 343605637 /nfs/dbraw/zinc/60/56/37/343605637.db2.gz GDUGGJACKAVGHI-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527680 343679322 /nfs/dbraw/zinc/67/93/22/343679322.db2.gz MJSKWZJFYFRDCW-OAHLLOKOSA-N 1 0 275.352 2.122 20 5 CEBDRO Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000602025118 346963167 /nfs/dbraw/zinc/96/31/67/346963167.db2.gz CPULZJGVMMMUMD-NSHDSACASA-N 1 0 277.324 2.184 20 5 CEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068798816 343773952 /nfs/dbraw/zinc/77/39/52/343773952.db2.gz SZKZHECKOJOFIG-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO CCC1(O)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075859767 343870082 /nfs/dbraw/zinc/87/00/82/343870082.db2.gz UIEQGZIEFBEUJQ-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000078575448 343957667 /nfs/dbraw/zinc/95/76/67/343957667.db2.gz YRBPGFPFJAWIBD-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO O=C(NCC[NH+]1CCCCCC1)c1csc([N+](=O)[O-])c1 ZINC000048573190 362286162 /nfs/dbraw/zinc/28/61/62/362286162.db2.gz LMQSSSWOZNYIRV-UHFFFAOYSA-N 1 0 297.380 2.262 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449652867 282319900 /nfs/dbraw/zinc/31/99/00/282319900.db2.gz YRIXICZPLAYCQX-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO COC1CC[NH+](CCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088728100 344113448 /nfs/dbraw/zinc/11/34/48/344113448.db2.gz BNSHHOQDYNPHLI-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC1 ZINC000049237683 362348427 /nfs/dbraw/zinc/34/84/27/362348427.db2.gz DNMWTYNJHWTXMT-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049480633 362367205 /nfs/dbraw/zinc/36/72/05/362367205.db2.gz WTVGOXGJUQMOGM-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000092658490 344198694 /nfs/dbraw/zinc/19/86/94/344198694.db2.gz PWNVOLFZUOAJLQ-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880327 344308088 /nfs/dbraw/zinc/30/80/88/344308088.db2.gz NLRHZXCQZIMZHY-JSGCOSHPSA-N 1 0 277.368 2.462 20 5 CEBDRO CN(CCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123304495 344309591 /nfs/dbraw/zinc/30/95/91/344309591.db2.gz IZMPIXNEFGZHIR-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134426236 344374247 /nfs/dbraw/zinc/37/42/47/344374247.db2.gz WXDLGQNZCGHEPH-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO COc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000136484274 344385213 /nfs/dbraw/zinc/38/52/13/344385213.db2.gz QMWWFMPBSXSOAS-UHFFFAOYSA-N 1 0 281.312 2.059 20 5 CEBDRO Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161520418 344464172 /nfs/dbraw/zinc/46/41/72/344464172.db2.gz IMBOBKRUIUALNN-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449721865 282342420 /nfs/dbraw/zinc/34/24/20/282342420.db2.gz KFZOTZQESKYWAC-ZWNOBZJWSA-N 1 0 291.351 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163127 362407208 /nfs/dbraw/zinc/40/72/08/362407208.db2.gz UFBSFBYAZIWOPD-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484401 347055114 /nfs/dbraw/zinc/05/51/14/347055114.db2.gz OOMWDWFASNHTBO-NWDGAFQWSA-N 1 0 298.412 2.434 20 5 CEBDRO Cc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000228560380 344561144 /nfs/dbraw/zinc/56/11/44/344561144.db2.gz UWWZBEKIGXSVGN-JTQLQIEISA-N 1 0 274.280 2.378 20 5 CEBDRO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000050539557 362422632 /nfs/dbraw/zinc/42/26/32/362422632.db2.gz NHFQTWMPZYLZHO-UHFFFAOYSA-N 1 0 260.297 2.101 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCO ZINC000602506920 347061179 /nfs/dbraw/zinc/06/11/79/347061179.db2.gz YHEWYDMTYWGHLN-UHFFFAOYSA-N 1 0 278.230 2.086 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1O ZINC000449743231 282349603 /nfs/dbraw/zinc/34/96/03/282349603.db2.gz VVEVXBDKRWCVRU-JQWIXIFHSA-N 1 0 292.335 2.445 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237487879 344601453 /nfs/dbraw/zinc/60/14/53/344601453.db2.gz DPBYEWATSQFRGX-BDAKNGLRSA-N 1 0 297.742 2.200 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000313796241 344743473 /nfs/dbraw/zinc/74/34/73/344743473.db2.gz FBAIQKYUGIAYTF-AWEZNQCLSA-N 1 0 293.342 2.404 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000305192170 344710037 /nfs/dbraw/zinc/71/00/37/344710037.db2.gz YLUZVCSWYDYZDT-LLVKDONJSA-N 1 0 264.325 2.326 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000602543925 347070974 /nfs/dbraw/zinc/07/09/74/347070974.db2.gz MVGLRJYWEISZQV-QWHCGFSZSA-N 1 0 291.351 2.082 20 5 CEBDRO CC[C@H](C)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568925 347081915 /nfs/dbraw/zinc/08/19/15/347081915.db2.gz ZLHCZHWTKTXCDR-FZMZJTMJSA-N 1 0 266.341 2.134 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449767031 282359980 /nfs/dbraw/zinc/35/99/80/282359980.db2.gz POFWUYFMIAUKIZ-GWCFXTLKSA-N 1 0 264.325 2.106 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602562720 347078360 /nfs/dbraw/zinc/07/83/60/347078360.db2.gz VZRGJLMMUJVALQ-ZDUSSCGKSA-N 1 0 293.323 2.497 20 5 CEBDRO CC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776079 282363085 /nfs/dbraw/zinc/36/30/85/282363085.db2.gz OCNNNPYLQGXYMN-MSKHEQNASA-N 1 0 291.351 2.112 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401187233 344867322 /nfs/dbraw/zinc/86/73/22/344867322.db2.gz NEOHPNPFEQZLHR-QWRGUYRKSA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000588071897 345037595 /nfs/dbraw/zinc/03/75/95/345037595.db2.gz NTLOOZCGBUIGCB-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000589496880 345084376 /nfs/dbraw/zinc/08/43/76/345084376.db2.gz VRRBRMYJCYOUBT-SNVBAGLBSA-N 1 0 278.308 2.223 20 5 CEBDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000588963746 345062927 /nfs/dbraw/zinc/06/29/27/345062927.db2.gz ODKUKTRPHMFGDE-AWEZNQCLSA-N 1 0 278.352 2.360 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000590140642 345116979 /nfs/dbraw/zinc/11/69/79/345116979.db2.gz PPEQBMNOWBXYTG-VIFPVBQESA-N 1 0 255.343 2.044 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C2COCCOC2)cc1[N+](=O)[O-] ZINC000589938083 345105057 /nfs/dbraw/zinc/10/50/57/345105057.db2.gz CKOYBXXUNFVICE-UHFFFAOYSA-N 1 0 294.351 2.223 20 5 CEBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000057395213 362579866 /nfs/dbraw/zinc/57/98/66/362579866.db2.gz DORBIFSUHBQPLB-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590011361 345109816 /nfs/dbraw/zinc/10/98/16/345109816.db2.gz INMSSCAQKZWFCI-FZMZJTMJSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590404174 345133796 /nfs/dbraw/zinc/13/37/96/345133796.db2.gz VVMBGESAOIFYTM-RISCZKNCSA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(Cl)c1 ZINC000591281627 345237453 /nfs/dbraw/zinc/23/74/53/345237453.db2.gz GDNGLBDYDOXTHZ-UWVGGRQHSA-N 1 0 287.722 2.038 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591298941 345237824 /nfs/dbraw/zinc/23/78/24/345237824.db2.gz FVCIDOOISZTGPF-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591446404 345257040 /nfs/dbraw/zinc/25/70/40/345257040.db2.gz RQGDTAWHZSCOEQ-CABZTGNLSA-N 1 0 286.335 2.235 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591436509 345253695 /nfs/dbraw/zinc/25/36/95/345253695.db2.gz BDRNUWBOBYGSKE-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591438638 345254967 /nfs/dbraw/zinc/25/49/67/345254967.db2.gz OULZQVOPQGCALC-ABAIWWIYSA-N 1 0 298.346 2.331 20 5 CEBDRO CCC[C@@H](NC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580561 345266893 /nfs/dbraw/zinc/26/68/93/345266893.db2.gz AACRBPYGADDXMP-ZWNOBZJWSA-N 1 0 251.330 2.373 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nc21 ZINC000591686585 345273961 /nfs/dbraw/zinc/27/39/61/345273961.db2.gz CBUKSTWUPFWTIC-GFCCVEGCSA-N 1 0 290.298 2.315 20 5 CEBDRO C[C@](O)(C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591758018 345277530 /nfs/dbraw/zinc/27/75/30/345277530.db2.gz KKYFKFOJYMSCRD-NSHDSACASA-N 1 0 292.257 2.040 20 5 CEBDRO C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764263 345278563 /nfs/dbraw/zinc/27/85/63/345278563.db2.gz AQIJPOZOMDEIHZ-SSDOTTSWSA-N 1 0 278.230 2.084 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000592368052 345346988 /nfs/dbraw/zinc/34/69/88/345346988.db2.gz BIFHHGPPTJYHPX-PWSUYJOCSA-N 1 0 289.335 2.386 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475535 345358957 /nfs/dbraw/zinc/35/89/57/345358957.db2.gz MQAQFKIQHWBFBS-SLEUVZQESA-N 1 0 293.367 2.012 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000592516955 345363912 /nfs/dbraw/zinc/36/39/12/345363912.db2.gz KNUQHARXKQNRST-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO COc1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000097930739 232188668 /nfs/dbraw/zinc/18/86/68/232188668.db2.gz BCISQPAQENHTEQ-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593722024 345527423 /nfs/dbraw/zinc/52/74/23/345527423.db2.gz GMUDOPXUXJFZIP-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000593724075 345527899 /nfs/dbraw/zinc/52/78/99/345527899.db2.gz UNQFWPHYDDJRDX-LBPRGKRZSA-N 1 0 291.351 2.176 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593903304 345550656 /nfs/dbraw/zinc/55/06/56/345550656.db2.gz ZEEFCWPDOLMANA-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO CCC[C@H]([NH2+]C[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514457 345641310 /nfs/dbraw/zinc/64/13/10/345641310.db2.gz YEOVTNGXYPERHZ-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595106710 345742888 /nfs/dbraw/zinc/74/28/88/345742888.db2.gz JYRCTQBUZDWVJQ-FMSGJZPZSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000595104764 345742927 /nfs/dbraw/zinc/74/29/27/345742927.db2.gz UMQBJRUOUZNATJ-GMTAPVOTSA-N 1 0 250.298 2.077 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595229708 345746860 /nfs/dbraw/zinc/74/68/60/345746860.db2.gz BTTHXZXGCUVCLN-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594967412 345719059 /nfs/dbraw/zinc/71/90/59/345719059.db2.gz YQSXNWOZCNHHIP-NSHDSACASA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000594971133 345719731 /nfs/dbraw/zinc/71/97/31/345719731.db2.gz VWHOHBXBSDRBHR-NSHDSACASA-N 1 0 272.251 2.109 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000594983951 345721363 /nfs/dbraw/zinc/72/13/63/345721363.db2.gz RXDMMZDRFFVZMF-GFCCVEGCSA-N 1 0 264.325 2.093 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995980 345723331 /nfs/dbraw/zinc/72/33/31/345723331.db2.gz PMBUBLOWHSDNJZ-RKWPFYGESA-N 1 0 262.309 2.375 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000595009267 345726141 /nfs/dbraw/zinc/72/61/41/345726141.db2.gz BHHUCHZXEVRANZ-MNOVXSKESA-N 1 0 280.324 2.433 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595542715 345807530 /nfs/dbraw/zinc/80/75/30/345807530.db2.gz WMRYEGIXYPEAQQ-UHFFFAOYSA-N 1 0 276.336 2.474 20 5 CEBDRO Cc1noc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595324848 345762403 /nfs/dbraw/zinc/76/24/03/345762403.db2.gz HXRNIBIKRRPBPW-UHFFFAOYSA-N 1 0 295.339 2.284 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC=CC3)C2)nc1 ZINC000595370878 345770614 /nfs/dbraw/zinc/77/06/14/345770614.db2.gz KSFKCIHNHMKTMS-ZDUSSCGKSA-N 1 0 288.351 2.442 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000595454710 345786647 /nfs/dbraw/zinc/78/66/47/345786647.db2.gz OGGVGTZTNJCYBI-GXFFZTMASA-N 1 0 282.315 2.375 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457897 345788345 /nfs/dbraw/zinc/78/83/45/345788345.db2.gz CWSPIQVBBWZOOM-CABZTGNLSA-N 1 0 268.288 2.249 20 5 CEBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595466925 345790561 /nfs/dbraw/zinc/79/05/61/345790561.db2.gz SQJPMODAQQJGAW-CYBMUJFWSA-N 1 0 283.328 2.018 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595467536 345790607 /nfs/dbraw/zinc/79/06/07/345790607.db2.gz MVXRQXZJTSVNOV-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC1=CCCOC1 ZINC000595747942 345864549 /nfs/dbraw/zinc/86/45/49/345864549.db2.gz QDHCZBQPEIWUFV-UHFFFAOYSA-N 1 0 292.335 2.382 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000595632302 345833364 /nfs/dbraw/zinc/83/33/64/345833364.db2.gz DESNSXYSQRITRX-VNHYZAJKSA-N 1 0 276.336 2.188 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595781003 345875131 /nfs/dbraw/zinc/87/51/31/345875131.db2.gz OPJZDAFAXVUALS-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595874397 345903730 /nfs/dbraw/zinc/90/37/30/345903730.db2.gz ODXOSJDFSGXGFY-WFASDCNBSA-N 1 0 278.352 2.088 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000595907074 345910881 /nfs/dbraw/zinc/91/08/81/345910881.db2.gz FPZITCFIXAMAMX-JTQLQIEISA-N 1 0 295.236 2.055 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC2(CC[NH2+]C2)CC1 ZINC000596014631 345923338 /nfs/dbraw/zinc/92/33/38/345923338.db2.gz SVQHMJHTMIWRQX-UHFFFAOYSA-N 1 0 296.758 2.223 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCCF ZINC000596095516 345938445 /nfs/dbraw/zinc/93/84/45/345938445.db2.gz QLQZJQDYGFVZJE-LBPRGKRZSA-N 1 0 268.288 2.158 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCCF)C1CC1 ZINC000596093607 345938696 /nfs/dbraw/zinc/93/86/96/345938696.db2.gz HMQPOSBRWBSSDR-AWEZNQCLSA-N 1 0 296.342 2.492 20 5 CEBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596140921 345950014 /nfs/dbraw/zinc/95/00/14/345950014.db2.gz UEGHODRPQCXQGB-UHFFFAOYSA-N 1 0 297.380 2.128 20 5 CEBDRO CN(CCC[NH+](C)C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596425190 346020280 /nfs/dbraw/zinc/02/02/80/346020280.db2.gz PDQXQOLPTZWSGO-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO C[C@@H](CCNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596428690 346020700 /nfs/dbraw/zinc/02/07/00/346020700.db2.gz GSQYYIMMSMRFRJ-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000128317604 187363901 /nfs/dbraw/zinc/36/39/01/187363901.db2.gz XJFPWLUNDAAQIA-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596488843 346036822 /nfs/dbraw/zinc/03/68/22/346036822.db2.gz SFDSJIPLVOARQP-LLVKDONJSA-N 1 0 294.355 2.228 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117690 346130629 /nfs/dbraw/zinc/13/06/29/346130629.db2.gz PZUHWCYCNNWAFI-KOLCDFICSA-N 1 0 290.323 2.128 20 5 CEBDRO COCCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000597184710 346143578 /nfs/dbraw/zinc/14/35/78/346143578.db2.gz ZTRHBRDDGKEYDW-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@H](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992063 346265015 /nfs/dbraw/zinc/26/50/15/346265015.db2.gz IZTURJJLISWSNI-NEPJUHHUSA-N 1 0 293.367 2.155 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000598343208 346331688 /nfs/dbraw/zinc/33/16/88/346331688.db2.gz UAKDFTLBWNHAGV-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000598342400 346331911 /nfs/dbraw/zinc/33/19/11/346331911.db2.gz MNUIACZXIPMKTH-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000295144529 199371297 /nfs/dbraw/zinc/37/12/97/199371297.db2.gz QIFGSDDNKOOJPY-LBPRGKRZSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598720328 346407400 /nfs/dbraw/zinc/40/74/00/346407400.db2.gz PZOYLIOUEGCANL-UKRRQHHQSA-N 1 0 275.352 2.216 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598720329 346407488 /nfs/dbraw/zinc/40/74/88/346407488.db2.gz PZOYLIOUEGCANL-ZFWWWQNUSA-N 1 0 275.352 2.216 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599017390 346446967 /nfs/dbraw/zinc/44/69/67/346446967.db2.gz PPVYQZPFWDUJMB-BETUJISGSA-N 1 0 264.325 2.418 20 5 CEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000598913991 346433459 /nfs/dbraw/zinc/43/34/59/346433459.db2.gz UEAGYWPNGAGLSR-UHFFFAOYSA-N 1 0 298.730 2.202 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599081310 346457411 /nfs/dbraw/zinc/45/74/11/346457411.db2.gz LQUVOWLOCBQILH-BZPMIXESSA-N 1 0 278.352 2.276 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093647 346458980 /nfs/dbraw/zinc/45/89/80/346458980.db2.gz UOLLAGNAIJAQIJ-KWBADKCTSA-N 1 0 262.309 2.349 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000599139378 346466529 /nfs/dbraw/zinc/46/65/29/346466529.db2.gz NQBVMLUGSZBRRH-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)c1ccc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594734 347092118 /nfs/dbraw/zinc/09/21/18/347092118.db2.gz CQGVTTQVGPLILQ-PWSUYJOCSA-N 1 0 291.351 2.280 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599350377 346503831 /nfs/dbraw/zinc/50/38/31/346503831.db2.gz WOJVJXUZIKUUET-NSHDSACASA-N 1 0 293.367 2.408 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCCF)CC1 ZINC000599671260 346559631 /nfs/dbraw/zinc/55/96/31/346559631.db2.gz QDDBENJRTIWESS-UHFFFAOYSA-N 1 0 281.331 2.072 20 5 CEBDRO Cc1c(C[N@@H+](C)CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000599571428 346539502 /nfs/dbraw/zinc/53/95/02/346539502.db2.gz HAXYLQCCDWCZNS-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(C)COC1 ZINC000599571702 346540657 /nfs/dbraw/zinc/54/06/57/346540657.db2.gz RBTQCJSOHDCHTA-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710062 346675251 /nfs/dbraw/zinc/67/52/51/346675251.db2.gz NSVDVRMSKGNLCU-WZRBSPASSA-N 1 0 263.341 2.386 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601173980 346777874 /nfs/dbraw/zinc/77/78/74/346777874.db2.gz ODQJMLRQSWCXDV-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000601185219 346780027 /nfs/dbraw/zinc/78/00/27/346780027.db2.gz RSEQAMMVSNMWLX-ZJUUUORDSA-N 1 0 296.758 2.031 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602654093 347124789 /nfs/dbraw/zinc/12/47/89/347124789.db2.gz IYEGVDBRXQHLMY-BXUZGUMPSA-N 1 0 290.367 2.347 20 5 CEBDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667124 347132445 /nfs/dbraw/zinc/13/24/45/347132445.db2.gz NTKUDPPGPWINCH-BBRMVZONSA-N 1 0 291.395 2.409 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C)CC1 ZINC000602769810 347190730 /nfs/dbraw/zinc/19/07/30/347190730.db2.gz ROYBTPMATLNGQW-LLVKDONJSA-N 1 0 266.345 2.222 20 5 CEBDRO CCC(CC)[N@H+](CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602771512 347191549 /nfs/dbraw/zinc/19/15/49/347191549.db2.gz BWAJUJAXZGPNQU-UHFFFAOYSA-N 1 0 298.387 2.237 20 5 CEBDRO Cn1cc(C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602775041 347193578 /nfs/dbraw/zinc/19/35/78/347193578.db2.gz DQNRDDZVBLYCQG-UHFFFAOYSA-N 1 0 264.329 2.235 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC1CC1)C(C)C ZINC000602783735 347197475 /nfs/dbraw/zinc/19/74/75/347197475.db2.gz LFGZCXVVDXORTM-UHFFFAOYSA-N 1 0 266.345 2.220 20 5 CEBDRO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602796262 347201568 /nfs/dbraw/zinc/20/15/68/347201568.db2.gz WTYDJSDGVOLUNX-UHFFFAOYSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cnccc1C ZINC000602808719 347208077 /nfs/dbraw/zinc/20/80/77/347208077.db2.gz ZAWXQHWFNMRDRA-LLVKDONJSA-N 1 0 289.339 2.154 20 5 CEBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818200 347212017 /nfs/dbraw/zinc/21/20/17/347212017.db2.gz LVTMFLDBDIJMMR-CMPLNLGQSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CCC1 ZINC000602821621 347213643 /nfs/dbraw/zinc/21/36/43/347213643.db2.gz PPHRIOSXYCKCGJ-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000602837525 347219325 /nfs/dbraw/zinc/21/93/25/347219325.db2.gz OLQMTWPZCLPWBD-JTQLQIEISA-N 1 0 266.345 2.363 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603160242 347300239 /nfs/dbraw/zinc/30/02/39/347300239.db2.gz GBOLEMCZSVCYLT-CYBMUJFWSA-N 1 0 289.339 2.281 20 5 CEBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000603055150 347278103 /nfs/dbraw/zinc/27/81/03/347278103.db2.gz NDAHGPLAUXXONC-LLVKDONJSA-N 1 0 268.361 2.405 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000085982720 179209950 /nfs/dbraw/zinc/20/99/50/179209950.db2.gz LVZOJIBSFUFKFV-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CCCC[NH3+])nn1 ZINC000603219512 347311803 /nfs/dbraw/zinc/31/18/03/347311803.db2.gz PTXJIJMPNGWOKX-LLVKDONJSA-N 1 0 289.339 2.077 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000604441873 347415852 /nfs/dbraw/zinc/41/58/52/347415852.db2.gz ROWSEAJISQVVFH-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533595 362833580 /nfs/dbraw/zinc/83/35/80/362833580.db2.gz JZUCAOPEMXKIPI-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832891 365898735 /nfs/dbraw/zinc/89/87/35/365898735.db2.gz GCJSRQSNSTYVNX-LLVKDONJSA-N 1 0 274.324 2.451 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000609876494 347654609 /nfs/dbraw/zinc/65/46/09/347654609.db2.gz AZDYFGVPXWCSJJ-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000609964830 347656574 /nfs/dbraw/zinc/65/65/74/347656574.db2.gz SGOLRSSCZUJTBB-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCCCC1 ZINC000610655711 347698654 /nfs/dbraw/zinc/69/86/54/347698654.db2.gz RPEOPBGOEJWTFE-UHFFFAOYSA-N 1 0 266.345 2.364 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000610281822 347669602 /nfs/dbraw/zinc/66/96/02/347669602.db2.gz OFEAZNLTJCAZQQ-JTQLQIEISA-N 1 0 265.338 2.107 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(CO)CCCCC1 ZINC000611461692 347781232 /nfs/dbraw/zinc/78/12/32/347781232.db2.gz GCZCTNVBNYLJJU-UHFFFAOYSA-N 1 0 280.324 2.085 20 5 CEBDRO CN1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611370538 347770834 /nfs/dbraw/zinc/77/08/34/347770834.db2.gz AMUBEGAZDNFCNS-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413131 347775977 /nfs/dbraw/zinc/77/59/77/347775977.db2.gz VJCJLOLUKDTKQV-SNVBAGLBSA-N 1 0 285.369 2.179 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000611116293 347740912 /nfs/dbraw/zinc/74/09/12/347740912.db2.gz ZPZJEKXLPSGJAT-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611262379 347759781 /nfs/dbraw/zinc/75/97/81/347759781.db2.gz STKNUPAJBONWGJ-UHFFFAOYSA-N 1 0 278.308 2.208 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCCn2cncn2)cccc1[N+](=O)[O-] ZINC000611472589 347783134 /nfs/dbraw/zinc/78/31/34/347783134.db2.gz OPIVFTNQYKVLDW-GFCCVEGCSA-N 1 0 289.339 2.236 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611515358 347789179 /nfs/dbraw/zinc/78/91/79/347789179.db2.gz PPJZNDMWDXBPDT-AVGNSLFASA-N 1 0 275.352 2.115 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336848591 365923343 /nfs/dbraw/zinc/92/33/43/365923343.db2.gz LIQDZWRWOSTHAN-NWDGAFQWSA-N 1 0 293.371 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOC(C)C ZINC000612593491 347905439 /nfs/dbraw/zinc/90/54/39/347905439.db2.gz DFMOIJWBDBSWHH-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCOCC2)c1 ZINC000086874469 179364984 /nfs/dbraw/zinc/36/49/84/179364984.db2.gz NCMBHYRIXCICIW-LBPRGKRZSA-N 1 0 250.298 2.254 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000351952130 219263700 /nfs/dbraw/zinc/26/37/00/219263700.db2.gz RCRJLLUFIVRNPP-VXGBXAGGSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000351957277 219264634 /nfs/dbraw/zinc/26/46/34/219264634.db2.gz FUKCTNKKXWVVMZ-ZJUUUORDSA-N 1 0 269.370 2.181 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357125714 233010466 /nfs/dbraw/zinc/01/04/66/233010466.db2.gz WBSGLFBLFIJPKC-OGCZOTBESA-N 1 0 287.363 2.149 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000129045583 187408085 /nfs/dbraw/zinc/40/80/85/187408085.db2.gz OEHYUGMLSNHFFR-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO CSC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825297 539731351 /nfs/dbraw/zinc/73/13/51/539731351.db2.gz AHYOZPFHQURLRZ-ZWNOBZJWSA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1cnc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000090692333 180025626 /nfs/dbraw/zinc/02/56/26/180025626.db2.gz OSLUMKSMCJIXCI-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO CCC[C@@H]([NH2+]CC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949073 180071073 /nfs/dbraw/zinc/07/10/73/180071073.db2.gz LSHXCOQUNGJKAH-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093237 233337094 /nfs/dbraw/zinc/33/70/94/233337094.db2.gz RTHWCYYMQRLSLG-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000104953980 186034217 /nfs/dbraw/zinc/03/42/17/186034217.db2.gz ZWOWARHCCQPFAU-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105489209 186061008 /nfs/dbraw/zinc/06/10/08/186061008.db2.gz FQGIVYDUFVWRES-NSHDSACASA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000110647962 186309989 /nfs/dbraw/zinc/30/99/89/186309989.db2.gz DLVGUOWGYTVOOU-JTQLQIEISA-N 1 0 292.339 2.186 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCC[NH2+]C1 ZINC000110939747 186334468 /nfs/dbraw/zinc/33/44/68/186334468.db2.gz AIHNOJQPXIZZDG-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(=O)c1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000111138298 186357180 /nfs/dbraw/zinc/35/71/80/186357180.db2.gz RUYDDVIZIXGXKN-UHFFFAOYSA-N 1 0 279.340 2.185 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCC(C)(C)[NH3+] ZINC000070087596 363031723 /nfs/dbraw/zinc/03/17/23/363031723.db2.gz OXRAVBIHKOHKKA-UHFFFAOYSA-N 1 0 279.340 2.071 20 5 CEBDRO [NH3+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070187919 363050472 /nfs/dbraw/zinc/05/04/72/363050472.db2.gz DENHVCRWWOJMOF-UHFFFAOYSA-N 1 0 292.339 2.188 20 5 CEBDRO Cc1ccnc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000070496368 363090789 /nfs/dbraw/zinc/09/07/89/363090789.db2.gz YCEIAQHMIWYAGY-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO CC[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070495999 363090829 /nfs/dbraw/zinc/09/08/29/363090829.db2.gz QSFZZNCYXYTEKN-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCCC1 ZINC000124246652 187128749 /nfs/dbraw/zinc/12/87/49/187128749.db2.gz DUVXWOOESDTCNK-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123710129 187105584 /nfs/dbraw/zinc/10/55/84/187105584.db2.gz BTRKYORGXCUWRQ-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@H]1CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569233293 299189295 /nfs/dbraw/zinc/18/92/95/299189295.db2.gz ZPVPCNCJIJIMPO-QWRGUYRKSA-N 1 0 277.324 2.312 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271528119 191194734 /nfs/dbraw/zinc/19/47/34/191194734.db2.gz PHNSWRLROAZPOS-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO CCN(C)C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292114831 198169075 /nfs/dbraw/zinc/16/90/75/198169075.db2.gz JLNUJRJNYZWHSW-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO C[C@@H]([NH2+]CCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271668419 191267817 /nfs/dbraw/zinc/26/78/17/191267817.db2.gz MUMIHBOLBNNXLO-LLVKDONJSA-N 1 0 280.324 2.399 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153781572 188104030 /nfs/dbraw/zinc/10/40/30/188104030.db2.gz VNSOMJCIDSEDTB-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO CCCC[N@H+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154207043 188129513 /nfs/dbraw/zinc/12/95/13/188129513.db2.gz KJXSBAMVMYBGDJ-HNNXBMFYSA-N 1 0 296.367 2.377 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000155149245 188186866 /nfs/dbraw/zinc/18/68/66/188186866.db2.gz LRRHTBLXLVWZOD-GXSJLCMTSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292555971 198331320 /nfs/dbraw/zinc/33/13/20/198331320.db2.gz YXOOEWDZWWEEGF-NSHDSACASA-N 1 0 277.324 2.408 20 5 CEBDRO CC(C)C[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000073856067 363258458 /nfs/dbraw/zinc/25/84/58/363258458.db2.gz GYBTXQIWKQPVEQ-NSHDSACASA-N 1 0 266.345 2.378 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000074326354 363325896 /nfs/dbraw/zinc/32/58/96/363325896.db2.gz JDVUTZGZXFQJDF-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163660 540204034 /nfs/dbraw/zinc/20/40/34/540204034.db2.gz HKVXZAPTDQVDKP-GWCFXTLKSA-N 1 0 291.351 2.362 20 5 CEBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273646273 192244246 /nfs/dbraw/zinc/24/42/46/192244246.db2.gz SYHUFZJSAIHDSE-UHFFFAOYSA-N 1 0 287.323 2.233 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000452045410 283169944 /nfs/dbraw/zinc/16/99/44/283169944.db2.gz XDZFKODIDMCQTJ-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216638 299245383 /nfs/dbraw/zinc/24/53/83/299245383.db2.gz SAVBJLDBPQKTDU-WCQYABFASA-N 1 0 296.367 2.490 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452133998 283199685 /nfs/dbraw/zinc/19/96/85/283199685.db2.gz TWHOPLHLHPGXLE-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000134418396 366318819 /nfs/dbraw/zinc/31/88/19/366318819.db2.gz LPJUOUFPMGCNSU-ZDUSSCGKSA-N 1 0 266.341 2.434 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+](C)C ZINC000134868043 366368034 /nfs/dbraw/zinc/36/80/34/366368034.db2.gz WHEDJFSJCSHOSW-UHFFFAOYSA-N 1 0 281.356 2.493 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876113 290581184 /nfs/dbraw/zinc/58/11/84/290581184.db2.gz RLIGKYTWUWTHQN-LERXQTSPSA-N 1 0 291.351 2.160 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000294537857 199077569 /nfs/dbraw/zinc/07/75/69/199077569.db2.gz AERZNCBVGUQEIN-ZDUSSCGKSA-N 1 0 280.324 2.131 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000294762580 199171471 /nfs/dbraw/zinc/17/14/71/199171471.db2.gz MOZYIZQCEXXGHL-ZDUSSCGKSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135203975 366409097 /nfs/dbraw/zinc/40/90/97/366409097.db2.gz ZEUKLMHNXDNVEU-SCZZXKLOSA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000135461592 366441890 /nfs/dbraw/zinc/44/18/90/366441890.db2.gz PZHDJRCPZVSOHL-SNVBAGLBSA-N 1 0 250.298 2.160 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135519468 366450106 /nfs/dbraw/zinc/45/01/06/366450106.db2.gz NTYSCEUJNDDFMZ-KBPBESRZSA-N 1 0 294.376 2.301 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415503631 236676702 /nfs/dbraw/zinc/67/67/02/236676702.db2.gz OUJVRMHOGJKAJJ-CYBMUJFWSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000136164625 366500339 /nfs/dbraw/zinc/50/03/39/366500339.db2.gz AWTPEDVYAMLEAQ-IAQYHMDHSA-N 1 0 291.351 2.304 20 5 CEBDRO CCC[N@H+](CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC000080242053 363650915 /nfs/dbraw/zinc/65/09/15/363650915.db2.gz SMZWRBNTEPRFAC-UHFFFAOYSA-N 1 0 265.357 2.416 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000418118144 237293294 /nfs/dbraw/zinc/29/32/94/237293294.db2.gz SLBCNEAARNZZJE-ZQMOLZAKSA-N 1 0 262.309 2.111 20 5 CEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000080643528 363676578 /nfs/dbraw/zinc/67/65/78/363676578.db2.gz SSPJUENDKVXZLN-UONOGXRCSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000080643584 363677125 /nfs/dbraw/zinc/67/71/25/363677125.db2.gz FSYHGZQBSFSZNR-NWDGAFQWSA-N 1 0 281.381 2.325 20 5 CEBDRO Cc1ccc(C[NH2+]CC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000080535227 363667675 /nfs/dbraw/zinc/66/76/75/363667675.db2.gz SWDYDOSOUAFQBO-UHFFFAOYSA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525561 366651464 /nfs/dbraw/zinc/65/14/64/366651464.db2.gz ZPJZHQOTVKKRER-MWLCHTKSSA-N 1 0 276.340 2.335 20 5 CEBDRO CCC[NH+](CCC)CCCNc1c([N+](=O)[O-])ncn1C ZINC000341806707 216112954 /nfs/dbraw/zinc/11/29/54/216112954.db2.gz FGFZUFJABBGDJW-UHFFFAOYSA-N 1 0 283.376 2.252 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177973931 189082337 /nfs/dbraw/zinc/08/23/37/189082337.db2.gz XANBIPYFZAPLLP-ZWNOBZJWSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380042 189112023 /nfs/dbraw/zinc/11/20/23/189112023.db2.gz FMEIXHXGTWGATP-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO COc1cc(C[NH2+][C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218548 216265605 /nfs/dbraw/zinc/26/56/05/216265605.db2.gz IPZCOZXMQIKJQL-YUMQZZPRSA-N 1 0 288.250 2.052 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153895378 366742607 /nfs/dbraw/zinc/74/26/07/366742607.db2.gz KAHWIJJEAJPZHC-CQSZACIVSA-N 1 0 280.299 2.346 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000184231145 189380340 /nfs/dbraw/zinc/38/03/40/189380340.db2.gz AGUUKAPQVVOVKL-JTQLQIEISA-N 1 0 298.314 2.211 20 5 CEBDRO COCCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184251941 189380941 /nfs/dbraw/zinc/38/09/41/189380941.db2.gz XFKYBQZHRVFESU-UHFFFAOYSA-N 1 0 286.303 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089106776 363930827 /nfs/dbraw/zinc/93/08/27/363930827.db2.gz XZWXWHLTJHWYCZ-AAEUAGOBSA-N 1 0 291.351 2.151 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000089935722 364018630 /nfs/dbraw/zinc/01/86/30/364018630.db2.gz KHUXEPQKLIHACL-GFCCVEGCSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@H]1CCC[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000092567464 364082171 /nfs/dbraw/zinc/08/21/71/364082171.db2.gz APZFFUAFYFCCJK-NWDGAFQWSA-N 1 0 266.345 2.207 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000092642885 364093493 /nfs/dbraw/zinc/09/34/93/364093493.db2.gz DHNXNMACANSYEY-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)C[NH3+] ZINC000093874437 364239214 /nfs/dbraw/zinc/23/92/14/364239214.db2.gz BYEWFRGCGFIYNU-UHFFFAOYSA-N 1 0 281.356 2.020 20 5 CEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093813636 364228777 /nfs/dbraw/zinc/22/87/77/364228777.db2.gz KSAZJRCFTFLVEI-HNNXBMFYSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000097439182 364500668 /nfs/dbraw/zinc/50/06/68/364500668.db2.gz QNIRAFIUCLGWBZ-JTQLQIEISA-N 1 0 252.314 2.011 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000104274424 364689595 /nfs/dbraw/zinc/68/95/95/364689595.db2.gz UULMIRAWYJETNO-CQSZACIVSA-N 1 0 291.351 2.085 20 5 CEBDRO C[NH+](C)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562454 364952557 /nfs/dbraw/zinc/95/25/57/364952557.db2.gz JXTXHNZMZCGQIN-UHFFFAOYSA-N 1 0 277.368 2.163 20 5 CEBDRO C=Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000194349473 189658831 /nfs/dbraw/zinc/65/88/31/189658831.db2.gz XUFORPYMCHHLLN-UHFFFAOYSA-N 1 0 258.281 2.182 20 5 CEBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275494773 193057651 /nfs/dbraw/zinc/05/76/51/193057651.db2.gz QCVQROBUZXCVBF-ZDUSSCGKSA-N 1 0 264.325 2.188 20 5 CEBDRO C[N@H+](CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000159138423 366880820 /nfs/dbraw/zinc/88/08/20/366880820.db2.gz JKYXGYGHXZMJCC-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120542142 365440560 /nfs/dbraw/zinc/44/05/60/365440560.db2.gz ALFOTILTWYIXPF-RISCZKNCSA-N 1 0 291.351 2.007 20 5 CEBDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159364297 366906053 /nfs/dbraw/zinc/90/60/53/366906053.db2.gz YGCFDMOYGSZWGF-ZDUSSCGKSA-N 1 0 295.383 2.132 20 5 CEBDRO Cc1nc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161539602 367095050 /nfs/dbraw/zinc/09/50/50/367095050.db2.gz KNQJTBTVUFOULV-SECBINFHSA-N 1 0 252.318 2.050 20 5 CEBDRO CC[C@H](NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000162434222 367160620 /nfs/dbraw/zinc/16/06/20/367160620.db2.gz AXOCXZHHHARLSS-AWEZNQCLSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1nc(N[C@@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000357778605 370827656 /nfs/dbraw/zinc/82/76/56/370827656.db2.gz IXNIWEJXEIPRLK-PWSUYJOCSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436487 367238984 /nfs/dbraw/zinc/23/89/84/367238984.db2.gz KOAYSSVQIBDGEN-YPMHNXCESA-N 1 0 263.341 2.012 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343454093 367823509 /nfs/dbraw/zinc/82/35/09/367823509.db2.gz PCZRUEAJQVFGSO-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172856670 367830417 /nfs/dbraw/zinc/83/04/17/367830417.db2.gz UVWUQKRKSUHTLB-WDEREUQCSA-N 1 0 291.351 2.314 20 5 CEBDRO CCSCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473020 367913835 /nfs/dbraw/zinc/91/38/35/367913835.db2.gz SGVOSUQNUQGFPZ-NSHDSACASA-N 1 0 296.396 2.229 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000343620455 367921518 /nfs/dbraw/zinc/92/15/18/367921518.db2.gz YRAMKEJQLXRBEL-LBPRGKRZSA-N 1 0 281.356 2.171 20 5 CEBDRO CC1(CO)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000186917650 369068391 /nfs/dbraw/zinc/06/83/91/369068391.db2.gz ALIMZGNDSFFEIY-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000348673508 369118263 /nfs/dbraw/zinc/11/82/63/369118263.db2.gz NAEXNSUVAOKQFV-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000349792920 369402358 /nfs/dbraw/zinc/40/23/58/369402358.db2.gz TUKCFGGSGWPXAH-MXQLGCADSA-N 1 0 256.327 2.073 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188800626 369410520 /nfs/dbraw/zinc/41/05/20/369410520.db2.gz GHDHURACSQNGII-SKDRFNHKSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188799853 369411161 /nfs/dbraw/zinc/41/11/61/369411161.db2.gz KDMSBUDDTGJCMQ-CLDOCUBWSA-N 1 0 276.336 2.359 20 5 CEBDRO C[N@H+](CCCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349905579 369445741 /nfs/dbraw/zinc/44/57/41/369445741.db2.gz FKKKJVRBFOJWJD-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349847337 369421507 /nfs/dbraw/zinc/42/15/07/369421507.db2.gz FCVPMIARAWIOHI-DHCBQETCSA-N 1 0 264.325 2.320 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000276136930 193222987 /nfs/dbraw/zinc/22/29/87/193222987.db2.gz ASHPUVOUWHFEOV-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358269283 370984421 /nfs/dbraw/zinc/98/44/21/370984421.db2.gz URRDHFLWKDXZNP-GFCCVEGCSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[NH+]1CCCC1 ZINC000352349282 369684542 /nfs/dbraw/zinc/68/45/42/369684542.db2.gz CFGJBCUOCXEJHI-UHFFFAOYSA-N 1 0 286.335 2.073 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352540445 369778608 /nfs/dbraw/zinc/77/86/08/369778608.db2.gz LEZQZMWTWIMQIV-GFCCVEGCSA-N 1 0 280.324 2.072 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352541353 369778785 /nfs/dbraw/zinc/77/87/85/369778785.db2.gz WXJWMUHPAVYGIL-OAHLLOKOSA-N 1 0 292.335 2.216 20 5 CEBDRO Cc1cnn(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000352698652 369843755 /nfs/dbraw/zinc/84/37/55/369843755.db2.gz VNRWEVFXEQOIPF-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO CN(C(=O)C[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000193178162 369901478 /nfs/dbraw/zinc/90/14/78/369901478.db2.gz VABNEOXTVLHAJQ-UHFFFAOYSA-N 1 0 291.351 2.432 20 5 CEBDRO CCOc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352889873 369934874 /nfs/dbraw/zinc/93/48/74/369934874.db2.gz BGTSUALDMUGPGV-HNNXBMFYSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000194224574 370016580 /nfs/dbraw/zinc/01/65/80/370016580.db2.gz IBGQWPJBEMHKHS-GFCCVEGCSA-N 1 0 266.341 2.278 20 5 CEBDRO Cc1c(C[N@H+](CCO)C2CCC2)cccc1[N+](=O)[O-] ZINC000221196338 370237711 /nfs/dbraw/zinc/23/77/11/370237711.db2.gz SNRJUGCVOVPWLX-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC2CC2)cs1 ZINC000224534902 370280394 /nfs/dbraw/zinc/28/03/94/370280394.db2.gz BXAIMQIEXREGTE-UHFFFAOYSA-N 1 0 256.327 2.173 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000227984933 370391680 /nfs/dbraw/zinc/39/16/80/370391680.db2.gz HOUZVFXULDMIFQ-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000354354086 370328494 /nfs/dbraw/zinc/32/84/94/370328494.db2.gz OQJPIEMZTYJFSH-NWDGAFQWSA-N 1 0 278.356 2.299 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226343338 370337508 /nfs/dbraw/zinc/33/75/08/370337508.db2.gz JFDMPKYCAMUESU-RISCZKNCSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000228593062 370408127 /nfs/dbraw/zinc/40/81/27/370408127.db2.gz DMOLBLVEXZXUTJ-WCQYABFASA-N 1 0 264.325 2.418 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000236155800 370584698 /nfs/dbraw/zinc/58/46/98/370584698.db2.gz GIWOZPWGYBOKII-GXTWGEPZSA-N 1 0 280.299 2.391 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246947223 371035101 /nfs/dbraw/zinc/03/51/01/371035101.db2.gz NTYSCEUJNDDFMZ-KGLIPLIRSA-N 1 0 294.376 2.301 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000232895143 189818474 /nfs/dbraw/zinc/81/84/74/189818474.db2.gz KBNVQHGTXALLAX-LLVKDONJSA-N 1 0 264.329 2.180 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359240737 371390440 /nfs/dbraw/zinc/39/04/40/371390440.db2.gz ONZCCMBVLNNCFL-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000252561988 371456337 /nfs/dbraw/zinc/45/63/37/371456337.db2.gz WPQGPKLFMIOUPP-UONOGXRCSA-N 1 0 291.351 2.178 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359923530 371494325 /nfs/dbraw/zinc/49/43/25/371494325.db2.gz KVUDXMKKLYOCQV-JOYOIKCWSA-N 1 0 288.307 2.310 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360996282 371589298 /nfs/dbraw/zinc/58/92/98/371589298.db2.gz RNOXFGBZOKLUPI-PWSUYJOCSA-N 1 0 295.387 2.039 20 5 CEBDRO C[C@]1(C[NH3+])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591532 371667287 /nfs/dbraw/zinc/66/72/87/371667287.db2.gz LZTLBBKZBHVNRY-CYBMUJFWSA-N 1 0 283.759 2.419 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261994746 371792438 /nfs/dbraw/zinc/79/24/38/371792438.db2.gz NALNQJKXAMHXGR-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000344038784 217024076 /nfs/dbraw/zinc/02/40/76/217024076.db2.gz GDVMFGLJWNYCTP-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1nncn1C ZINC000268944637 372298353 /nfs/dbraw/zinc/29/83/53/372298353.db2.gz WEQDQKOAWXQOQE-GHMZBOCLSA-N 1 0 289.339 2.444 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903740 372280766 /nfs/dbraw/zinc/28/07/66/372280766.db2.gz GJRHDIYSIKYAPQ-SMDDNHRTSA-N 1 0 296.392 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC2)c(Cl)c1 ZINC000344329493 217152566 /nfs/dbraw/zinc/15/25/66/217152566.db2.gz SISRPFIXVUTZNK-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000362732876 372507125 /nfs/dbraw/zinc/50/71/25/372507125.db2.gz IDNHIMUKGSOSMH-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270848105 372981531 /nfs/dbraw/zinc/98/15/31/372981531.db2.gz GEHXVNCOBOACOO-WDMOLILDSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCCCC[C@@H]32)n1 ZINC000369454107 373417920 /nfs/dbraw/zinc/41/79/20/373417920.db2.gz YAPASJIMRWHUTR-OLZOCXBDSA-N 1 0 278.356 2.446 20 5 CEBDRO COc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272257546 373390660 /nfs/dbraw/zinc/39/06/60/373390660.db2.gz ZNPGBOXINSXBHK-RISCZKNCSA-N 1 0 291.351 2.134 20 5 CEBDRO Cc1nc(N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272897292 373700422 /nfs/dbraw/zinc/70/04/22/373700422.db2.gz IILRTYCWSFTCNZ-SNVBAGLBSA-N 1 0 276.340 2.361 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000294881925 220237955 /nfs/dbraw/zinc/23/79/55/220237955.db2.gz QDRWSSHHZDUHJY-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274928022 374099129 /nfs/dbraw/zinc/09/91/29/374099129.db2.gz NNPWIYUGRODOKA-NWANDNLSSA-N 1 0 294.351 2.185 20 5 CEBDRO CC(C)=CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239926 374303620 /nfs/dbraw/zinc/30/36/20/374303620.db2.gz BQDWKZXZDWDENB-UHFFFAOYSA-N 1 0 264.329 2.394 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277250854 374452231 /nfs/dbraw/zinc/45/22/31/374452231.db2.gz VSDHEGCGWLNFTC-JTQLQIEISA-N 1 0 296.346 2.237 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)C(C)(C)C1 ZINC000279872861 375016980 /nfs/dbraw/zinc/01/69/80/375016980.db2.gz TZXVNOWRNIEPES-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CC=CCC2)cs1 ZINC000279880797 375018236 /nfs/dbraw/zinc/01/82/36/375018236.db2.gz UOWRHHUAXQRDRM-UHFFFAOYSA-N 1 0 267.354 2.008 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000279948054 375042374 /nfs/dbraw/zinc/04/23/74/375042374.db2.gz ZFRXRLQGEZVEKW-ZDUSSCGKSA-N 1 0 264.325 2.236 20 5 CEBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253975 375286583 /nfs/dbraw/zinc/28/65/83/375286583.db2.gz YNWPREJIFYHTKF-IINYFYTJSA-N 1 0 264.325 2.498 20 5 CEBDRO CC1=CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280700988 375289870 /nfs/dbraw/zinc/28/98/70/375289870.db2.gz CEJBAKNAADSCFJ-CQSZACIVSA-N 1 0 262.309 2.280 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280719139 375295064 /nfs/dbraw/zinc/29/50/64/375295064.db2.gz UTXUXXHFXUINML-HXUWFJFHSA-N 1 0 296.392 2.294 20 5 CEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCOC1=O ZINC000282417599 375480353 /nfs/dbraw/zinc/48/03/53/375480353.db2.gz JBYIMSJRDPCUJC-CYBMUJFWSA-N 1 0 292.335 2.022 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(C(F)F)CC2)c1 ZINC000282448388 375485976 /nfs/dbraw/zinc/48/59/76/375485976.db2.gz UYQSTHSMIFDEHQ-UHFFFAOYSA-N 1 0 288.298 2.205 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509212 375501719 /nfs/dbraw/zinc/50/17/19/375501719.db2.gz YSMOJAYVOKDXGM-BIBXISHDSA-N 1 0 296.392 2.465 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809855 375580315 /nfs/dbraw/zinc/58/03/15/375580315.db2.gz RGCYQMHXXBKGRZ-QWRGUYRKSA-N 1 0 297.330 2.028 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096142 375808843 /nfs/dbraw/zinc/80/88/43/375808843.db2.gz MQAKBLVHYLHMDN-JQWIXIFHSA-N 1 0 281.356 2.235 20 5 CEBDRO CC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286232520 375879617 /nfs/dbraw/zinc/87/96/17/375879617.db2.gz DRVNGJRGLGDXTL-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000414658619 375904201 /nfs/dbraw/zinc/90/42/01/375904201.db2.gz LLZBFATWKKBDLG-QWRGUYRKSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000414666498 375907981 /nfs/dbraw/zinc/90/79/81/375907981.db2.gz WSBIDDGLLAVNTM-UHFFFAOYSA-N 1 0 292.339 2.295 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000414805663 375991846 /nfs/dbraw/zinc/99/18/46/375991846.db2.gz MDOQCMNHCYDOQJ-BXUZGUMPSA-N 1 0 277.368 2.243 20 5 CEBDRO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000414812264 375998386 /nfs/dbraw/zinc/99/83/86/375998386.db2.gz KPTRYVSJFCCBIW-PBWFPOADSA-N 1 0 275.352 2.276 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289635682 376427281 /nfs/dbraw/zinc/42/72/81/376427281.db2.gz UOHSRGVLURXEEQ-CQSZACIVSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cn[nH]c2)c(Cl)c1 ZINC000289733358 376469528 /nfs/dbraw/zinc/46/95/28/376469528.db2.gz GJCBUBOMYMPIAA-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000557572294 376567400 /nfs/dbraw/zinc/56/74/00/376567400.db2.gz OVTBWBZBUMCEBJ-NSHDSACASA-N 1 0 279.315 2.408 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000314108499 376765110 /nfs/dbraw/zinc/76/51/10/376765110.db2.gz HWINMWMTPDWGGU-ZWLSGLHFSA-N 1 0 291.351 2.242 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000290833918 376945049 /nfs/dbraw/zinc/94/50/49/376945049.db2.gz GTHXQCDBTPHLPI-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290935318 376992780 /nfs/dbraw/zinc/99/27/80/376992780.db2.gz NGQSZTINVPMADQ-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000423200199 377116210 /nfs/dbraw/zinc/11/62/10/377116210.db2.gz DUKFMZRABDBGPJ-NEPJUHHUSA-N 1 0 295.408 2.417 20 5 CEBDRO CC[C@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177533 377087555 /nfs/dbraw/zinc/08/75/55/377087555.db2.gz AWEXQKNHGJXFMP-JSGCOSHPSA-N 1 0 263.341 2.388 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCCCC1 ZINC000331073189 377268587 /nfs/dbraw/zinc/26/85/87/377268587.db2.gz UCHVGQZRTDYVAR-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182685 377317474 /nfs/dbraw/zinc/31/74/74/377317474.db2.gz RUQYIRVKJXFUSB-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182689 377317550 /nfs/dbraw/zinc/31/75/50/377317550.db2.gz RUQYIRVKJXFUSB-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264897458 190142508 /nfs/dbraw/zinc/14/25/08/190142508.db2.gz KYURITZPVOPLMP-UVMWJGKXSA-N 1 0 291.351 2.064 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000331135119 377296875 /nfs/dbraw/zinc/29/68/75/377296875.db2.gz IAHQLYFMVBUTQE-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293167578 377454977 /nfs/dbraw/zinc/45/49/77/377454977.db2.gz VYIOWEFAPDXSFY-FZMZJTMJSA-N 1 0 264.325 2.236 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564869359 377486617 /nfs/dbraw/zinc/48/66/17/377486617.db2.gz VBKSBASQFQKSDJ-TZMCWYRMSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000293299373 377510786 /nfs/dbraw/zinc/51/07/86/377510786.db2.gz WJOBIXPIMGDKJS-AWEZNQCLSA-N 1 0 294.351 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000332200513 377539502 /nfs/dbraw/zinc/53/95/02/377539502.db2.gz DESNSXYSQRITRX-GUTXKFCHSA-N 1 0 276.336 2.188 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000313087715 249380597 /nfs/dbraw/zinc/38/05/97/249380597.db2.gz QZVRGBBYLDLMMN-GFCCVEGCSA-N 1 0 250.298 2.109 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192832 249389770 /nfs/dbraw/zinc/38/97/70/249389770.db2.gz OWFNAMVECJSSBW-WCQYABFASA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583715 377640864 /nfs/dbraw/zinc/64/08/64/377640864.db2.gz FAFJOJPRGDMFLU-MNOVXSKESA-N 1 0 280.372 2.168 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293704092 377711848 /nfs/dbraw/zinc/71/18/48/377711848.db2.gz LMDZQUDXPXCYSC-NXEZZACHSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898820 377814715 /nfs/dbraw/zinc/81/47/15/377814715.db2.gz WIRMKSHULAULJT-MNOVXSKESA-N 1 0 289.339 2.113 20 5 CEBDRO C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872207 377798724 /nfs/dbraw/zinc/79/87/24/377798724.db2.gz YGWURPHETMENFV-RYUDHWBXSA-N 1 0 265.357 2.443 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000294689991 378011685 /nfs/dbraw/zinc/01/16/85/378011685.db2.gz CFBVOFIIZHBHMF-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000295861357 378332905 /nfs/dbraw/zinc/33/29/05/378332905.db2.gz WXXHHXFXHKILCY-MRVPVSSYSA-N 1 0 297.742 2.005 20 5 CEBDRO COC(=O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295887798 378343720 /nfs/dbraw/zinc/34/37/20/378343720.db2.gz BGHGUMBJBDIKQE-JTQLQIEISA-N 1 0 278.308 2.199 20 5 CEBDRO CS[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465516 378541824 /nfs/dbraw/zinc/54/18/24/378541824.db2.gz XNCYCHAVUCCUOC-QWHCGFSZSA-N 1 0 282.365 2.066 20 5 CEBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541884 378568442 /nfs/dbraw/zinc/56/84/42/378568442.db2.gz NYISJZJAXLRNER-GHMZBOCLSA-N 1 0 293.371 2.226 20 5 CEBDRO Cc1cccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450796693 378585202 /nfs/dbraw/zinc/58/52/02/378585202.db2.gz WBQLSCXRGYALTL-BETUJISGSA-N 1 0 291.351 2.178 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450953123 378660069 /nfs/dbraw/zinc/66/00/69/378660069.db2.gz XBIUTYBZKUZEHU-UHFFFAOYSA-N 1 0 295.387 2.177 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)C(C)C ZINC000298457647 378732411 /nfs/dbraw/zinc/73/24/11/378732411.db2.gz VBWHVHMEROEGFB-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO COCCC[N@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000298772095 378828107 /nfs/dbraw/zinc/82/81/07/378828107.db2.gz GFDZAQOIIMCBHX-UHFFFAOYSA-N 1 0 296.367 2.122 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413157 378893852 /nfs/dbraw/zinc/89/38/52/378893852.db2.gz SKMSBGNZSNNKKE-UONOGXRCSA-N 1 0 291.351 2.086 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000347031190 218098486 /nfs/dbraw/zinc/09/84/86/218098486.db2.gz YIFJVCCCLDXZGC-OAHLLOKOSA-N 1 0 277.368 2.477 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278552518 194039818 /nfs/dbraw/zinc/03/98/18/194039818.db2.gz AYWMKGXINQMVOS-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000347293484 218179362 /nfs/dbraw/zinc/17/93/62/218179362.db2.gz YTYFFVXZMOBYPM-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000278693950 194106825 /nfs/dbraw/zinc/10/68/25/194106825.db2.gz JJIVEEXJDOFOMC-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO Cc1cccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000300421593 379171186 /nfs/dbraw/zinc/17/11/86/379171186.db2.gz OVPUFXASCGFJRI-QWHCGFSZSA-N 1 0 291.351 2.178 20 5 CEBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347536210 218266108 /nfs/dbraw/zinc/26/61/08/218266108.db2.gz QEOXPJACBYKWPL-SNVBAGLBSA-N 1 0 266.345 2.387 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302555999 379396037 /nfs/dbraw/zinc/39/60/37/379396037.db2.gz LMNSLTXLAWNKRX-LLVKDONJSA-N 1 0 290.367 2.317 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524901 379584425 /nfs/dbraw/zinc/58/44/25/379584425.db2.gz YYIXVUPCNXFSTP-HZMBPMFUSA-N 1 0 282.315 2.469 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457071127 379652417 /nfs/dbraw/zinc/65/24/17/379652417.db2.gz HIAXRESTSPSOMT-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000305141304 379656970 /nfs/dbraw/zinc/65/69/70/379656970.db2.gz QDTWIHQFQUMEIQ-NSHDSACASA-N 1 0 264.325 2.469 20 5 CEBDRO CCCCOCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488789786 380135813 /nfs/dbraw/zinc/13/58/13/380135813.db2.gz VUBXXDYOURBEDY-UHFFFAOYSA-N 1 0 296.371 2.245 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000268220551 190387682 /nfs/dbraw/zinc/38/76/82/190387682.db2.gz WQOAXVFSMBPUBI-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C[NH+](C)C ZINC000489006580 380153480 /nfs/dbraw/zinc/15/34/80/380153480.db2.gz DUWYSGBTJIZTEA-NSHDSACASA-N 1 0 288.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCn2ccnc2C1 ZINC000489895694 380220300 /nfs/dbraw/zinc/22/03/00/380220300.db2.gz LRZVLQBZDCLWMI-VIFPVBQESA-N 1 0 293.714 2.267 20 5 CEBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000348223341 218511702 /nfs/dbraw/zinc/51/17/02/218511702.db2.gz FFQMSYAHZNHYBT-WPRPVWTQSA-N 1 0 292.261 2.064 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279304427 194376164 /nfs/dbraw/zinc/37/61/64/194376164.db2.gz QRNFFXISAAFLQY-UXIGCNINSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1 ZINC000160430617 285123368 /nfs/dbraw/zinc/12/33/68/285123368.db2.gz SKXCRSGUUDFMAL-CQSZACIVSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1C=CCCC1)CC2 ZINC000347786486 285184961 /nfs/dbraw/zinc/18/49/61/285184961.db2.gz BBKPOXFPTGQWTF-LBPRGKRZSA-N 1 0 259.309 2.457 20 5 CEBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000400401832 533505834 /nfs/dbraw/zinc/50/58/34/533505834.db2.gz KWSMXZFTVSEVRA-MISXGVKJSA-N 1 0 263.341 2.386 20 5 CEBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412096740 533590238 /nfs/dbraw/zinc/59/02/38/533590238.db2.gz FZOGANLAJAMLTF-OAHLLOKOSA-N 1 0 292.335 2.370 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000190397960 130098858 /nfs/dbraw/zinc/09/88/58/130098858.db2.gz XRYCIPIRMPTKQQ-UHFFFAOYSA-N 1 0 266.345 2.158 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193620249 130638567 /nfs/dbraw/zinc/63/85/67/130638567.db2.gz GKLHEHNWVDRZLF-GXFFZTMASA-N 1 0 291.351 2.028 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1ccnc1 ZINC000237374823 131026385 /nfs/dbraw/zinc/02/63/85/131026385.db2.gz SXOAQRDDTYIGMA-LBPRGKRZSA-N 1 0 274.324 2.217 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000238034769 131074105 /nfs/dbraw/zinc/07/41/05/131074105.db2.gz SPKVYCPZXSSMDK-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413157185 394494295 /nfs/dbraw/zinc/49/42/95/394494295.db2.gz GWOISAKLKJOJHZ-DTWKUNHWSA-N 1 0 268.292 2.024 20 5 CEBDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174666 394497502 /nfs/dbraw/zinc/49/75/02/394497502.db2.gz DWJSUNQIDBMKQO-UHFFFAOYSA-N 1 0 292.261 2.006 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179326 394499394 /nfs/dbraw/zinc/49/93/94/394499394.db2.gz WYUXSCLPNIOGOV-ZJUUUORDSA-N 1 0 282.319 2.414 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421734498 394578373 /nfs/dbraw/zinc/57/83/73/394578373.db2.gz DJLOPTRGAUOSAT-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000308612741 394529057 /nfs/dbraw/zinc/52/90/57/394529057.db2.gz GWDGYHRBWXZNLC-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394132 394661071 /nfs/dbraw/zinc/66/10/71/394661071.db2.gz LPNQNTJOSJTDMV-ZWNOBZJWSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356872312 394637951 /nfs/dbraw/zinc/63/79/51/394637951.db2.gz FHZFYXSJEFUIBZ-VXGBXAGGSA-N 1 0 291.351 2.068 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268952326 394703839 /nfs/dbraw/zinc/70/38/39/394703839.db2.gz SUECFKUKTZAGAD-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358303203 394717040 /nfs/dbraw/zinc/71/70/40/394717040.db2.gz KGLZNFMSLDTZEQ-SNVBAGLBSA-N 1 0 283.328 2.038 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272184652 394767870 /nfs/dbraw/zinc/76/78/70/394767870.db2.gz KTAVXEVRHVXEIX-FZMZJTMJSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000414857142 394773435 /nfs/dbraw/zinc/77/34/35/394773435.db2.gz OYSIIWBXFSBAQP-MNOVXSKESA-N 1 0 281.331 2.212 20 5 CEBDRO C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414862374 394776136 /nfs/dbraw/zinc/77/61/36/394776136.db2.gz XNIQOVZDUVGQSE-GXSJLCMTSA-N 1 0 269.370 2.134 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]21 ZINC000360210202 394793336 /nfs/dbraw/zinc/79/33/36/394793336.db2.gz VNGCOCDJYLPVFI-GRYCIOLGSA-N 1 0 278.356 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNCCC[NH2+]C1CC1 ZINC000415071936 394874444 /nfs/dbraw/zinc/87/44/44/394874444.db2.gz UVGWCBHWGDOLBA-UHFFFAOYSA-N 1 0 263.341 2.135 20 5 CEBDRO CC1=C(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280826224 394852348 /nfs/dbraw/zinc/85/23/48/394852348.db2.gz VIYPIKFMXAAQGL-UHFFFAOYSA-N 1 0 289.335 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364305395 394892824 /nfs/dbraw/zinc/89/28/24/394892824.db2.gz KOSLHVWQAQCRIL-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000133519416 394953693 /nfs/dbraw/zinc/95/36/93/394953693.db2.gz HYAXZAYYECGLPK-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355009 394899436 /nfs/dbraw/zinc/89/94/36/394899436.db2.gz DQSZMTGGDZHEJM-UHIISALHSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415290556 394919388 /nfs/dbraw/zinc/91/93/88/394919388.db2.gz DSCWLUGXXPMJDV-NXEZZACHSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000415430253 394931679 /nfs/dbraw/zinc/93/16/79/394931679.db2.gz JGMVMOMJZOGEHD-CMPLNLGQSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415509201 394939907 /nfs/dbraw/zinc/93/99/07/394939907.db2.gz VZNWHNLLJVCVLH-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415508519 394939990 /nfs/dbraw/zinc/93/99/90/394939990.db2.gz VDBXFQIRFGQSSN-ZWNOBZJWSA-N 1 0 292.339 2.023 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153701904 395015389 /nfs/dbraw/zinc/01/53/89/395015389.db2.gz FHQYXMQVMUTSDF-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415767791 394962745 /nfs/dbraw/zinc/96/27/45/394962745.db2.gz USJDEWSNWGOURL-SNVBAGLBSA-N 1 0 294.355 2.277 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425285471 395056692 /nfs/dbraw/zinc/05/66/92/395056692.db2.gz OLNFTSXHTUCYHB-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375023676 395089229 /nfs/dbraw/zinc/08/92/29/395089229.db2.gz VHAZRUQMBBKQGH-NHYWBVRUSA-N 1 0 293.342 2.260 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000290624636 395111428 /nfs/dbraw/zinc/11/14/28/395111428.db2.gz OVGFBVKBDFIZOX-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO CC(C)CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182217597 395237491 /nfs/dbraw/zinc/23/74/91/395237491.db2.gz CPHIUXAFMJFBQR-CYBMUJFWSA-N 1 0 296.367 2.312 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292300856 395191841 /nfs/dbraw/zinc/19/18/41/395191841.db2.gz NQPCMNHDAYLGQM-AWEZNQCLSA-N 1 0 279.315 2.266 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000294915993 395281833 /nfs/dbraw/zinc/28/18/33/395281833.db2.gz BERLPXKWVSHYRI-GIPNMCIBSA-N 1 0 250.298 2.250 20 5 CEBDRO Cc1ccnc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420274383 395288480 /nfs/dbraw/zinc/28/84/80/395288480.db2.gz FUMVAJXMVDSAOK-WDEREUQCSA-N 1 0 264.329 2.228 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420279049 395291334 /nfs/dbraw/zinc/29/13/34/395291334.db2.gz JOMCQBYUMBWQHH-GHMZBOCLSA-N 1 0 264.329 2.228 20 5 CEBDRO CC[C@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296173408 395310079 /nfs/dbraw/zinc/31/00/79/395310079.db2.gz ZAEYQBDWWBWULZ-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CO)CCC1 ZINC000184372727 395272796 /nfs/dbraw/zinc/27/27/96/395272796.db2.gz WMWRQHMKHVHYLV-ZZXKWVIFSA-N 1 0 276.336 2.360 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232855 395358015 /nfs/dbraw/zinc/35/80/15/395358015.db2.gz PPGODWUYKJMQGG-LLVKDONJSA-N 1 0 279.315 2.060 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]([NH+](CC)CC)C1 ZINC000192636064 395388881 /nfs/dbraw/zinc/38/88/81/395388881.db2.gz RWSSTDWWJLCALG-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191149206 395350240 /nfs/dbraw/zinc/35/02/40/395350240.db2.gz NEMNBVFGQFLWBE-MRVPVSSYSA-N 1 0 290.266 2.321 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704461 395447110 /nfs/dbraw/zinc/44/71/10/395447110.db2.gz LISDTMVQFZIBIA-OTYXRUKQSA-N 1 0 290.323 2.128 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931312 395437558 /nfs/dbraw/zinc/43/75/58/395437558.db2.gz DBTVGZNOUZEYTA-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000444591864 395438270 /nfs/dbraw/zinc/43/82/70/395438270.db2.gz OEPXGFYSGKPKCZ-UHFFFAOYSA-N 1 0 260.297 2.313 20 5 CEBDRO CC(C)[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000568366946 395555947 /nfs/dbraw/zinc/55/59/47/395555947.db2.gz LBNCUBABNCXWGW-UHFFFAOYSA-N 1 0 296.346 2.438 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291910 395627518 /nfs/dbraw/zinc/62/75/18/395627518.db2.gz JMRFSGICFNIYDS-MZJFNTNISA-N 1 0 296.392 2.329 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000218901705 400309440 /nfs/dbraw/zinc/30/94/40/400309440.db2.gz MYKOYTNTPKOVRJ-WCFLWFBJSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359923528 155171513 /nfs/dbraw/zinc/17/15/13/155171513.db2.gz KVUDXMKKLYOCQV-BXKDBHETSA-N 1 0 288.307 2.310 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000232234733 153412205 /nfs/dbraw/zinc/41/22/05/153412205.db2.gz HJBWLQXENDYMNC-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261650390 153797393 /nfs/dbraw/zinc/79/73/93/153797393.db2.gz BAQWOWPLOPXOMQ-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@@H+]1C ZINC000313347642 154208705 /nfs/dbraw/zinc/20/87/05/154208705.db2.gz NBSBMPXOHOINLW-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332238393 154218803 /nfs/dbraw/zinc/21/88/03/154218803.db2.gz OMGBTPVEUSRKLH-IACUBPJLSA-N 1 0 276.336 2.188 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000366756752 156081649 /nfs/dbraw/zinc/08/16/49/156081649.db2.gz LINVRVZYWVPLHL-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000367123359 156136878 /nfs/dbraw/zinc/13/68/78/156136878.db2.gz QGIYYXVOBCLXOF-OCCSQVGLSA-N 1 0 291.351 2.021 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCO2)CC1 ZINC000367245063 156155265 /nfs/dbraw/zinc/15/52/65/156155265.db2.gz VAMPHTDWSSKVPP-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000367655504 156222114 /nfs/dbraw/zinc/22/21/14/156222114.db2.gz DCQNIERNYJXNRD-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000174831533 165119923 /nfs/dbraw/zinc/11/99/23/165119923.db2.gz RNJDKFOUJXQVQX-CQSZACIVSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176207154 165159444 /nfs/dbraw/zinc/15/94/44/165159444.db2.gz USTGQMYJJIAHDX-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO CNC(=O)CC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179410650 165278276 /nfs/dbraw/zinc/27/82/76/165278276.db2.gz WWBPJYPOPPEIIF-UHFFFAOYSA-N 1 0 293.367 2.286 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196067 171061333 /nfs/dbraw/zinc/06/13/33/171061333.db2.gz OWSRVUJAROWMOW-JQWIXIFHSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000020208247 171072091 /nfs/dbraw/zinc/07/20/91/171072091.db2.gz MJYFAOYSQQNFOA-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000035275288 172095896 /nfs/dbraw/zinc/09/58/96/172095896.db2.gz BTBOTILHIVQJIA-LBPRGKRZSA-N 1 0 274.324 2.278 20 5 CEBDRO CCC[C@H]([NH2+][C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602245 172291114 /nfs/dbraw/zinc/29/11/14/172291114.db2.gz KPGHISIHKSJWQS-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285553369 196324529 /nfs/dbraw/zinc/32/45/29/196324529.db2.gz QZYAYAOFIIYUPS-NEPJUHHUSA-N 1 0 264.325 2.357 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCCCC[NH3+] ZINC000037810232 173754037 /nfs/dbraw/zinc/75/40/37/173754037.db2.gz XGPOPWSRXKKQFW-UHFFFAOYSA-N 1 0 293.367 2.462 20 5 CEBDRO CCOC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000286028412 196474320 /nfs/dbraw/zinc/47/43/20/196474320.db2.gz HUAFJTDKQNGJDJ-HUUCEWRRSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088235 174101295 /nfs/dbraw/zinc/10/12/95/174101295.db2.gz FYPCTTMXPZPWAJ-QWRGUYRKSA-N 1 0 251.330 2.196 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000040591677 174346962 /nfs/dbraw/zinc/34/69/62/174346962.db2.gz LNBUIYMXWAUZLU-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000040676091 174373992 /nfs/dbraw/zinc/37/39/92/174373992.db2.gz LYRSCJRQBIZUDF-UONOGXRCSA-N 1 0 264.325 2.030 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690804 174377013 /nfs/dbraw/zinc/37/70/13/174377013.db2.gz GHXBYBIUDSGPLA-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000044538040 175199789 /nfs/dbraw/zinc/19/97/89/175199789.db2.gz QAEHGWZANGEVII-JTQLQIEISA-N 1 0 294.311 2.257 20 5 CEBDRO Cc1cnc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078656817 177367324 /nfs/dbraw/zinc/36/73/24/177367324.db2.gz WQFVDZFRJDDZEZ-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069624 261147435 /nfs/dbraw/zinc/14/74/35/261147435.db2.gz HWMHWNURZJKGTP-BXUZGUMPSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cccn1 ZINC000449073926 261149793 /nfs/dbraw/zinc/14/97/93/261149793.db2.gz JSBFPRQSANIJGS-CHWSQXEVSA-N 1 0 288.351 2.401 20 5 CEBDRO CC(C)(C)N1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1=O ZINC000516769032 262034893 /nfs/dbraw/zinc/03/48/93/262034893.db2.gz MYUAJLZWRKZBLJ-SNVBAGLBSA-N 1 0 297.380 2.145 20 5 CEBDRO CCC[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188366621 262292353 /nfs/dbraw/zinc/29/23/53/262292353.db2.gz DTPBMSRYYAWMEX-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO Cc1c(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399565713 270371113 /nfs/dbraw/zinc/37/11/13/270371113.db2.gz IFZYZMHBBJUGJP-FZMZJTMJSA-N 1 0 293.367 2.139 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000420248744 270494166 /nfs/dbraw/zinc/49/41/66/270494166.db2.gz WXBUDCVZSAXJHX-NSHDSACASA-N 1 0 282.319 2.319 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000420253566 270495779 /nfs/dbraw/zinc/49/57/79/270495779.db2.gz BINJCSDWZFQDQC-CABZTGNLSA-N 1 0 278.356 2.170 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000420269580 270499906 /nfs/dbraw/zinc/49/99/06/270499906.db2.gz IIILNBTZNBNECE-NWDGAFQWSA-N 1 0 263.341 2.387 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC000420269573 270500144 /nfs/dbraw/zinc/50/01/44/270500144.db2.gz IIILNBTZNBNECE-NEPJUHHUSA-N 1 0 263.341 2.387 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421708315 270648257 /nfs/dbraw/zinc/64/82/57/270648257.db2.gz ZULJRIIGPWATMQ-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[C@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200265 270867991 /nfs/dbraw/zinc/86/79/91/270867991.db2.gz FEVQSHTWAALCCF-JSGCOSHPSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423998821 271000749 /nfs/dbraw/zinc/00/07/49/271000749.db2.gz AWMKSPBUAWKMFY-PSASIEDQSA-N 1 0 297.380 2.022 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000430241661 271366231 /nfs/dbraw/zinc/36/62/31/271366231.db2.gz GWGXWFWNMRRALQ-HUUCEWRRSA-N 1 0 294.351 2.244 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000430543128 271388162 /nfs/dbraw/zinc/38/81/62/271388162.db2.gz DGGDBXYRQJGDLN-CYBMUJFWSA-N 1 0 269.320 2.197 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000307903986 273591787 /nfs/dbraw/zinc/59/17/87/273591787.db2.gz YNPAWAUSQXODOS-LLVKDONJSA-N 1 0 297.742 2.119 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000160076682 273854014 /nfs/dbraw/zinc/85/40/14/273854014.db2.gz MOIRUHIRTWHDSC-CYBMUJFWSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192867001 274265316 /nfs/dbraw/zinc/26/53/16/274265316.db2.gz SZENQXQVTKEJJC-YGRLFVJLSA-N 1 0 264.325 2.333 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261859906 275033335 /nfs/dbraw/zinc/03/33/35/275033335.db2.gz XQUYHXSOZBPWAR-PWSUYJOCSA-N 1 0 295.770 2.290 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000413069217 275041416 /nfs/dbraw/zinc/04/14/16/275041416.db2.gz YSHIIHCNCHPHOK-UWVGGRQHSA-N 1 0 280.303 2.168 20 5 CEBDRO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000148056921 275842123 /nfs/dbraw/zinc/84/21/23/275842123.db2.gz KHZPUBHPLKMCNQ-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282156143 276831961 /nfs/dbraw/zinc/83/19/61/276831961.db2.gz CJYOOXUYKBDBHP-GFCCVEGCSA-N 1 0 278.356 2.098 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010223 277039461 /nfs/dbraw/zinc/03/94/61/277039461.db2.gz FPAUYESFKVUONI-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375051817 277146761 /nfs/dbraw/zinc/14/67/61/277146761.db2.gz XEEASZBEYQSVFR-YGRLFVJLSA-N 1 0 279.315 2.264 20 5 CEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205553 277247144 /nfs/dbraw/zinc/24/71/44/277247144.db2.gz SDWWDMXCOSANPE-NHYWBVRUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133201146 277300024 /nfs/dbraw/zinc/30/00/24/277300024.db2.gz COPGXDFFZAUHNL-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310663725 277460085 /nfs/dbraw/zinc/46/00/85/277460085.db2.gz XVYGFEBIHVIMPJ-JTQLQIEISA-N 1 0 252.314 2.498 20 5 CEBDRO CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270418499 277530062 /nfs/dbraw/zinc/53/00/62/277530062.db2.gz ZJFCSSBOGCMXQK-STQMWFEESA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000086470135 277935602 /nfs/dbraw/zinc/93/56/02/277935602.db2.gz JLCGGIOJERSNHI-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO COc1cccc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000274692950 278016048 /nfs/dbraw/zinc/01/60/48/278016048.db2.gz MOFLDECTGVXUBA-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782866 278184788 /nfs/dbraw/zinc/18/47/88/278184788.db2.gz YMMHDRFOCVMFRP-NEPJUHHUSA-N 1 0 291.351 2.256 20 5 CEBDRO CC1(C)CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000119833261 278206759 /nfs/dbraw/zinc/20/67/59/278206759.db2.gz DXYXTJGFMLVCFF-ZDUSSCGKSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000159001724 278237013 /nfs/dbraw/zinc/23/70/13/278237013.db2.gz RDBDBPZXBQQPBF-LBPRGKRZSA-N 1 0 274.324 2.360 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272273775 278318296 /nfs/dbraw/zinc/31/82/96/278318296.db2.gz NXJZJKRXNCJLNS-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285272830 278358957 /nfs/dbraw/zinc/35/89/57/278358957.db2.gz QWMLVXVGRXUNOO-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339630 278409858 /nfs/dbraw/zinc/40/98/58/278409858.db2.gz NAMBNEOURABTRI-WCBMZHEXSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000093633698 278774867 /nfs/dbraw/zinc/77/48/67/278774867.db2.gz QBCDMQRFOUHBSV-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000276388964 278784098 /nfs/dbraw/zinc/78/40/98/278784098.db2.gz PHOFQGIQMOBCGB-UHFFFAOYSA-N 1 0 293.367 2.399 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000294915972 278991876 /nfs/dbraw/zinc/99/18/76/278991876.db2.gz BERLPXKWVSHYRI-BREBYQMCSA-N 1 0 250.298 2.250 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242770 279516267 /nfs/dbraw/zinc/51/62/67/279516267.db2.gz BRHSFPZLXXZJCQ-OUJBWJOFSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212294 279747161 /nfs/dbraw/zinc/74/71/61/279747161.db2.gz ZFQOLGAETSEYFL-QWHCGFSZSA-N 1 0 290.367 2.300 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185829915 280126967 /nfs/dbraw/zinc/12/69/67/280126967.db2.gz RZOSOWWOXLIAKX-JDGPPOGSSA-N 1 0 250.298 2.012 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000422827377 280927152 /nfs/dbraw/zinc/92/71/52/280927152.db2.gz DKBKEXDDWQUXAG-SNVBAGLBSA-N 1 0 279.340 2.137 20 5 CEBDRO Cc1ccc([C@H](C)N[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916928 280963699 /nfs/dbraw/zinc/96/36/99/280963699.db2.gz BXTBTJQPPBSYHH-WDEREUQCSA-N 1 0 263.341 2.162 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070176731 281016584 /nfs/dbraw/zinc/01/65/84/281016584.db2.gz UCGPQAWYNZFYGE-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO COC[C@@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438448 281042356 /nfs/dbraw/zinc/04/23/56/281042356.db2.gz UVQIMNQNGMDBLE-DOMZBBRYSA-N 1 0 293.367 2.014 20 5 CEBDRO CC[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513499 281058654 /nfs/dbraw/zinc/05/86/54/281058654.db2.gz LUDWQNVBJAKXSD-HUUCEWRRSA-N 1 0 293.367 2.014 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000429007643 281215816 /nfs/dbraw/zinc/21/58/16/281215816.db2.gz VXRFMGAOACJLRY-OAHLLOKOSA-N 1 0 293.342 2.262 20 5 CEBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576143 281246391 /nfs/dbraw/zinc/24/63/91/281246391.db2.gz BMJKRQLZXGMAQD-MFKMUULPSA-N 1 0 291.351 2.314 20 5 CEBDRO CC(C)[C@@H](C[NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000433135771 281369695 /nfs/dbraw/zinc/36/96/95/281369695.db2.gz OHZQEAFCKKMOIT-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000433172697 281372491 /nfs/dbraw/zinc/37/24/91/281372491.db2.gz DFHYUMICDIBXRL-SKDRFNHKSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826317 289068659 /nfs/dbraw/zinc/06/86/59/289068659.db2.gz NDOXSRCMAXNMSL-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO COCCC[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000152181665 289079883 /nfs/dbraw/zinc/07/98/83/289079883.db2.gz JXAOFKJKYBZQKP-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO C[NH+](C)CCSCCc1ccc([N+](=O)[O-])cc1 ZINC000157823866 289222480 /nfs/dbraw/zinc/22/24/80/289222480.db2.gz HIPURNNCLZECQW-UHFFFAOYSA-N 1 0 254.355 2.432 20 5 CEBDRO CC/C=C\CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459503114 290166271 /nfs/dbraw/zinc/16/62/71/290166271.db2.gz FLKANPNPPFDMOO-ARJAWSKDSA-N 1 0 290.367 2.468 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CCO)C1 ZINC000459585592 290186981 /nfs/dbraw/zinc/18/69/81/290186981.db2.gz BGRSUGZVBLFPLD-GHXNOFRVSA-N 1 0 276.336 2.312 20 5 CEBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459615985 290195457 /nfs/dbraw/zinc/19/54/57/290195457.db2.gz PQJBTACEXIAFAY-DOMZBBRYSA-N 1 0 293.367 2.315 20 5 CEBDRO Cn1cnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000459655989 290206019 /nfs/dbraw/zinc/20/60/19/290206019.db2.gz GXUKIPFCKNOKIN-GQCTYLIASA-N 1 0 286.335 2.174 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459800646 290245654 /nfs/dbraw/zinc/24/56/54/290245654.db2.gz WUUFDWJJYKTKEU-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643480 297648151 /nfs/dbraw/zinc/64/81/51/297648151.db2.gz FYDQUSOHHHPVAR-MFKMUULPSA-N 1 0 296.392 2.286 20 5 CEBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000537968174 298223089 /nfs/dbraw/zinc/22/30/89/298223089.db2.gz SZXPDHXIOPFGIH-WFASDCNBSA-N 1 0 294.351 2.378 20 5 CEBDRO CCN1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789487 298711419 /nfs/dbraw/zinc/71/14/19/298711419.db2.gz CWMUURJYPYLDSB-VXGBXAGGSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564712290 298842001 /nfs/dbraw/zinc/84/20/01/298842001.db2.gz IDBYSVSIXSFRSF-RYUDHWBXSA-N 1 0 293.367 2.155 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000514727775 313054155 /nfs/dbraw/zinc/05/41/55/313054155.db2.gz MBLHNUWNJUKGSZ-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000515652753 313075226 /nfs/dbraw/zinc/07/52/26/313075226.db2.gz QGMFOJFVNDSHIA-BDAKNGLRSA-N 1 0 297.380 2.172 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC000531957209 313334979 /nfs/dbraw/zinc/33/49/79/313334979.db2.gz GTAICGUMBISTLA-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[S@@](C)=O ZINC000563415591 313737531 /nfs/dbraw/zinc/73/75/31/313737531.db2.gz DJTCDSQDPDRVBX-REWMRKHYSA-N 1 0 296.392 2.329 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000569600922 314002759 /nfs/dbraw/zinc/00/27/59/314002759.db2.gz LAIFHBBLDWHOQW-LOWVWBTDSA-N 1 0 291.351 2.078 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000572037828 314117624 /nfs/dbraw/zinc/11/76/24/314117624.db2.gz LWXRKGJFDXENBL-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573014975 314136836 /nfs/dbraw/zinc/13/68/36/314136836.db2.gz JJKNGJVMSWMCCR-GFCCVEGCSA-N 1 0 291.351 2.278 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH3+])c1 ZINC000577054757 314336243 /nfs/dbraw/zinc/33/62/43/314336243.db2.gz JCRWPSPEBQOEMV-UHFFFAOYSA-N 1 0 297.380 2.174 20 5 CEBDRO Cc1ccc(NCCC[NH2+][C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000578232243 314459756 /nfs/dbraw/zinc/45/97/56/314459756.db2.gz MUOILUNNNQAGRR-NWDGAFQWSA-N 1 0 281.356 2.064 20 5 CEBDRO C[C@H](C(=O)NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000578480010 314483153 /nfs/dbraw/zinc/48/31/53/314483153.db2.gz GLEXNHXJYAMBMK-NSHDSACASA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C(C)C)CC1 ZINC000183252774 321713105 /nfs/dbraw/zinc/71/31/05/321713105.db2.gz OZWVPRGMVRCABN-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[NH2+]CCSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000382643009 321842507 /nfs/dbraw/zinc/84/25/07/321842507.db2.gz GDVCLSWFGGGEDE-UHFFFAOYSA-N 1 0 256.327 2.056 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCSC1 ZINC000580783373 322343989 /nfs/dbraw/zinc/34/39/89/322343989.db2.gz IIOOGLIHXZOAGA-JSGCOSHPSA-N 1 0 294.376 2.040 20 5 CEBDRO CC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000584226078 327068422 /nfs/dbraw/zinc/06/84/22/327068422.db2.gz JWWQAVXTQBUGOB-GJZGRUSLSA-N 1 0 293.367 2.094 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCCC[NH+]2CCCC2)cc1 ZINC000020129166 329087015 /nfs/dbraw/zinc/08/70/15/329087015.db2.gz RIWCLECAIAWLKU-UHFFFAOYSA-N 1 0 263.341 2.170 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480540 521486183 /nfs/dbraw/zinc/48/61/83/521486183.db2.gz JANXAZAEVFKEEZ-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417413403 534254106 /nfs/dbraw/zinc/25/41/06/534254106.db2.gz XVOISTODBCYGRN-VHRBIJSZSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000102064047 534340709 /nfs/dbraw/zinc/34/07/09/534340709.db2.gz DZVYBXDEYGBCGS-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000156296705 520575367 /nfs/dbraw/zinc/57/53/67/520575367.db2.gz AMADGSQQIXTGOY-UHFFFAOYSA-N 1 0 295.339 2.182 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183842397 524044742 /nfs/dbraw/zinc/04/47/42/524044742.db2.gz HZVJOKNWEBPUFZ-LLVKDONJSA-N 1 0 293.367 2.326 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000156710627 524902017 /nfs/dbraw/zinc/90/20/17/524902017.db2.gz LTHRIZHJTGBDOG-LBPRGKRZSA-N 1 0 293.367 2.349 20 5 CEBDRO Cc1c(NC(=O)CCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000070087069 525831439 /nfs/dbraw/zinc/83/14/39/525831439.db2.gz NLZFIKPPWHRWMW-UHFFFAOYSA-N 1 0 265.313 2.359 20 5 CEBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052329870 527637471 /nfs/dbraw/zinc/63/74/71/527637471.db2.gz QFYVTIJFTSAMRP-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO CCOc1cc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000111046307 528325741 /nfs/dbraw/zinc/32/57/41/528325741.db2.gz JJSXTCUYMJEDBA-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414662215 528506537 /nfs/dbraw/zinc/50/65/37/528506537.db2.gz QQIUBPHYBONHGX-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191268475 536951880 /nfs/dbraw/zinc/95/18/80/536951880.db2.gz RDYDYVJVRXNPOS-QWRGUYRKSA-N 1 0 294.351 2.337 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749938832 575240798 /nfs/dbraw/zinc/24/07/98/575240798.db2.gz ULJBBQRHZPADKX-JTQLQIEISA-N 1 0 289.339 2.337 20 5 CEBDRO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923803 575301267 /nfs/dbraw/zinc/30/12/67/575301267.db2.gz BLRQXCVRNSWQDK-UWVGGRQHSA-N 1 0 289.339 2.193 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000200485943 623242037 /nfs/dbraw/zinc/24/20/37/623242037.db2.gz XHDFQKDSFADNEK-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO C[C@@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000891756719 623946501 /nfs/dbraw/zinc/94/65/01/623946501.db2.gz SSPHFHMTTZKGOV-VIFPVBQESA-N 1 0 292.314 2.066 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000891799276 623979164 /nfs/dbraw/zinc/97/91/64/623979164.db2.gz VDZVNSMGDVLILE-VIFPVBQESA-N 1 0 266.297 2.151 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933744688 623989474 /nfs/dbraw/zinc/98/94/74/623989474.db2.gz NZAQHHLLWUZKLC-YPMHNXCESA-N 1 0 281.381 2.040 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124402 624245358 /nfs/dbraw/zinc/24/53/58/624245358.db2.gz HSQQJYYGYHXMKY-WCQYABFASA-N 1 0 280.324 2.083 20 5 CEBDRO Cc1cccnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158643452 624583049 /nfs/dbraw/zinc/58/30/49/624583049.db2.gz VFXDHNDFEYIEPA-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC(C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000820705400 634508091 /nfs/dbraw/zinc/50/80/91/634508091.db2.gz CDLRAPPFVPSPSF-UHFFFAOYSA-N 1 0 255.249 2.388 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000236553457 627271573 /nfs/dbraw/zinc/27/15/73/627271573.db2.gz JFQQKKQJGYPLIG-CQSZACIVSA-N 1 0 276.336 2.408 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225588917 627829497 /nfs/dbraw/zinc/82/94/97/627829497.db2.gz OTRZNTRUTCNMLP-JTQLQIEISA-N 1 0 258.343 2.153 20 5 CEBDRO COCC[C@@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000313250456 628585113 /nfs/dbraw/zinc/58/51/13/628585113.db2.gz XIKSOSRWQZBJKQ-ZDUSSCGKSA-N 1 0 282.340 2.044 20 5 CEBDRO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779471 628804127 /nfs/dbraw/zinc/80/41/27/628804127.db2.gz ODEDBVSHLTXSPL-JQWIXIFHSA-N 1 0 299.321 2.490 20 5 CEBDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180331 628983324 /nfs/dbraw/zinc/98/33/24/628983324.db2.gz RNKYJDWBDSUVED-RJCSOLBVSA-N 1 0 278.308 2.365 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893939158 629054858 /nfs/dbraw/zinc/05/48/58/629054858.db2.gz IACOTHTVLKHLHX-NOZJJQNGSA-N 1 0 281.743 2.389 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940338 629055317 /nfs/dbraw/zinc/05/53/17/629055317.db2.gz MWNJFIXSTWEBOB-IINYFYTJSA-N 1 0 279.315 2.183 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941997 629056607 /nfs/dbraw/zinc/05/66/07/629056607.db2.gz YGFJBWKRYKSYLH-SWLSCSKDSA-N 1 0 298.346 2.283 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104553 629145274 /nfs/dbraw/zinc/14/52/74/629145274.db2.gz YJTJBTOYAKZXAP-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413697 629445394 /nfs/dbraw/zinc/44/53/94/629445394.db2.gz NOTDHYHSLFQHKT-WCBMZHEXSA-N 1 0 298.364 2.150 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000821508270 634744331 /nfs/dbraw/zinc/74/43/31/634744331.db2.gz RSWIRBBSYXJXKM-JTQLQIEISA-N 1 0 294.355 2.222 20 5 CEBDRO CC(C)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000795545885 629602821 /nfs/dbraw/zinc/60/28/21/629602821.db2.gz HPQDMEUZEVXRIZ-CQSZACIVSA-N 1 0 264.325 2.216 20 5 CEBDRO CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647195 629642062 /nfs/dbraw/zinc/64/20/62/629642062.db2.gz BRFHKNIHRVAPSV-YPMHNXCESA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1nc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000894797705 629646046 /nfs/dbraw/zinc/64/60/46/629646046.db2.gz NTQNHRWMLIQFAE-GASCZTMLSA-N 1 0 290.367 2.076 20 5 CEBDRO Cc1cc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC000894797942 629646102 /nfs/dbraw/zinc/64/61/02/629646102.db2.gz QSGFGINEEQSJQT-GASCZTMLSA-N 1 0 290.367 2.076 20 5 CEBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000895059070 629833013 /nfs/dbraw/zinc/83/30/13/629833013.db2.gz RAUONJRSPSHKLW-SECBINFHSA-N 1 0 284.747 2.222 20 5 CEBDRO CC1=NO[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000895309978 630098971 /nfs/dbraw/zinc/09/89/71/630098971.db2.gz DNSZLVPFBKMLJL-LBPRGKRZSA-N 1 0 263.297 2.158 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798119 630353519 /nfs/dbraw/zinc/35/35/19/630353519.db2.gz ATNVCCFFJPMKBG-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO CCO[C@H](CNc1cc(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000896114607 630468339 /nfs/dbraw/zinc/46/83/39/630468339.db2.gz AWUQEOMBEOBPOY-GFCCVEGCSA-N 1 0 281.356 2.282 20 5 CEBDRO CCO[C@@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000896115755 630468462 /nfs/dbraw/zinc/46/84/62/630468462.db2.gz MPCQALHMCMJPHL-JTQLQIEISA-N 1 0 285.319 2.113 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896256257 630510554 /nfs/dbraw/zinc/51/05/54/630510554.db2.gz DUGFOKXHRNZIIH-UHFFFAOYSA-N 1 0 293.371 2.147 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000896509751 630578239 /nfs/dbraw/zinc/57/82/39/630578239.db2.gz JIKFRUSCTLXJDO-AQNFWKISSA-N 1 0 294.351 2.438 20 5 CEBDRO C[NH+]1CCC2(CCN2c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000897133522 630952003 /nfs/dbraw/zinc/95/20/03/630952003.db2.gz KMVWCPCFVMUTHL-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801540753 631285553 /nfs/dbraw/zinc/28/55/53/631285553.db2.gz FEITXIKNQKGNBY-UHFFFAOYSA-N 1 0 292.314 2.492 20 5 CEBDRO C[C@H](C[NH2+]Cc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000897464823 631532189 /nfs/dbraw/zinc/53/21/89/631532189.db2.gz PAJVZWOSNWZQGR-SNVBAGLBSA-N 1 0 261.281 2.476 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000897469309 631536094 /nfs/dbraw/zinc/53/60/94/631536094.db2.gz HYSHRSPTGVKESI-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841010875 631687458 /nfs/dbraw/zinc/68/74/58/631687458.db2.gz JWJXIEMDYPIVPJ-MRVPVSSYSA-N 1 0 298.730 2.203 20 5 CEBDRO Cc1c(C[NH2+]CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000054127024 631699106 /nfs/dbraw/zinc/69/91/06/631699106.db2.gz RFRBCYPQJQOEIN-UHFFFAOYSA-N 1 0 263.341 2.089 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897840597 631938827 /nfs/dbraw/zinc/93/88/27/631938827.db2.gz FPYCVXPNEYLJBS-WPBUFGDCSA-N 1 0 276.336 2.215 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172324 632080048 /nfs/dbraw/zinc/08/00/48/632080048.db2.gz BQNYBTKPZXGEPZ-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898195859 632110146 /nfs/dbraw/zinc/11/01/46/632110146.db2.gz ZPRMUEXGTNJBRH-OAHLLOKOSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000809734673 632134233 /nfs/dbraw/zinc/13/42/33/632134233.db2.gz JNZMLWZNXVATNZ-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809743338 632136469 /nfs/dbraw/zinc/13/64/69/632136469.db2.gz XVABXXCVMCSGEK-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO CC[C@@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000322643536 632234178 /nfs/dbraw/zinc/23/41/78/632234178.db2.gz UZMGBFBJVPVQTN-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810853161 632290764 /nfs/dbraw/zinc/29/07/64/632290764.db2.gz PSIQPCAFYSGXOH-ZIAGYGMSSA-N 1 0 290.319 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927084451 632452891 /nfs/dbraw/zinc/45/28/91/632452891.db2.gz MJVXYGVVWRZITC-TZMCWYRMSA-N 1 0 294.351 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898388613 632477787 /nfs/dbraw/zinc/47/77/87/632477787.db2.gz UWLKDXVQUPWQTI-STQMWFEESA-N 1 0 262.309 2.109 20 5 CEBDRO CC[NH+](CC)Cc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc1 ZINC000813102580 632621706 /nfs/dbraw/zinc/62/17/06/632621706.db2.gz SIVJACXUZFBNFV-GFCCVEGCSA-N 1 0 294.351 2.350 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938130 632936304 /nfs/dbraw/zinc/93/63/04/632936304.db2.gz WKCHPPSSDLUUBA-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000815161471 632974715 /nfs/dbraw/zinc/97/47/15/632974715.db2.gz FJVCKXYDUFFLFH-UWVGGRQHSA-N 1 0 295.314 2.403 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815583046 633034567 /nfs/dbraw/zinc/03/45/67/633034567.db2.gz VSRFHWNXNJIXBC-SECBINFHSA-N 1 0 275.312 2.059 20 5 CEBDRO COCC1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815607830 633037732 /nfs/dbraw/zinc/03/77/32/633037732.db2.gz JPGNISOUHPKNSE-VIFPVBQESA-N 1 0 265.313 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000899910362 633096979 /nfs/dbraw/zinc/09/69/79/633096979.db2.gz FZTNNWSIBDHZMP-HNNXBMFYSA-N 1 0 289.335 2.328 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906879 633765811 /nfs/dbraw/zinc/76/58/11/633765811.db2.gz FZDCYHRFDOQCQY-IUCAKERBSA-N 1 0 271.748 2.464 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907735 633767486 /nfs/dbraw/zinc/76/74/86/633767486.db2.gz SYTCAGZNBNZRPO-VXGBXAGGSA-N 1 0 269.732 2.218 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CC2)c1 ZINC000819119024 634073228 /nfs/dbraw/zinc/07/32/28/634073228.db2.gz QOCCGTMWPKFMLE-ZDUSSCGKSA-N 1 0 250.298 2.018 20 5 CEBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155656 634087558 /nfs/dbraw/zinc/08/75/58/634087558.db2.gz ORJKTVMTKWANMX-JMSVASOKSA-N 1 0 294.351 2.033 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819192080 634099411 /nfs/dbraw/zinc/09/94/11/634099411.db2.gz WZXYFCZRGVMBJF-JSGCOSHPSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@@H](CSC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207792 634104904 /nfs/dbraw/zinc/10/49/04/634104904.db2.gz PBCKZCZNWNDASP-AAEUAGOBSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250477 634117239 /nfs/dbraw/zinc/11/72/39/634117239.db2.gz ZIDKKSPSMKVQRS-MBNYWOFBSA-N 1 0 294.351 2.113 20 5 CEBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819352574 634150748 /nfs/dbraw/zinc/15/07/48/634150748.db2.gz PCEDLHVJQHUHIG-ONERCXAPSA-N 1 0 294.351 2.031 20 5 CEBDRO CCC(C)(C)OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819358519 634152759 /nfs/dbraw/zinc/15/27/59/634152759.db2.gz JQHJTBDLXFQAIL-CQSZACIVSA-N 1 0 296.367 2.423 20 5 CEBDRO Nc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635017 634960109 /nfs/dbraw/zinc/96/01/09/634960109.db2.gz NHYVVEAGVNSIHY-JTQLQIEISA-N 1 0 289.295 2.042 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903098566 634967831 /nfs/dbraw/zinc/96/78/31/634967831.db2.gz QLTWDYVRVCJHGI-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)CC2CC2)cc([N+](=O)[O-])c1 ZINC000903126921 634981765 /nfs/dbraw/zinc/98/17/65/634981765.db2.gz FPKZANKVWQAHCR-MFKMUULPSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[C@@H](C)[NH3+])n1 ZINC000822807651 635000124 /nfs/dbraw/zinc/00/01/24/635000124.db2.gz CKZNOPARRFCFRS-DTWKUNHWSA-N 1 0 276.296 2.404 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000903179440 635000457 /nfs/dbraw/zinc/00/04/57/635000457.db2.gz QDGFLACKXPMHOI-RULNRJAQSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903182254 635001633 /nfs/dbraw/zinc/00/16/33/635001633.db2.gz BIZKURCZFPHDRC-OWYVNGRQSA-N 1 0 280.324 2.167 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903221112 635022591 /nfs/dbraw/zinc/02/25/91/635022591.db2.gz YKNQCLSDRUEDCY-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823070112 635059804 /nfs/dbraw/zinc/05/98/04/635059804.db2.gz ZGXBYEONGSGBJK-RQJHMYQMSA-N 1 0 280.309 2.172 20 5 CEBDRO C[C@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269685 635118849 /nfs/dbraw/zinc/11/88/49/635118849.db2.gz JVJQXRCALFRLPT-JGVFFNPUSA-N 1 0 278.268 2.298 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903856197 635307586 /nfs/dbraw/zinc/30/75/86/635307586.db2.gz QWMRIBMUAHHUHB-DZGCQCFKSA-N 1 0 275.352 2.216 20 5 CEBDRO Nc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000904308386 635558922 /nfs/dbraw/zinc/55/89/22/635558922.db2.gz PFBAGRQWSAASGY-UHFFFAOYSA-N 1 0 299.334 2.132 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000904462526 635635757 /nfs/dbraw/zinc/63/57/57/635635757.db2.gz LHMYPMAAPJQAAV-BRLPQQTGSA-N 1 0 275.352 2.196 20 5 CEBDRO C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800568 635708280 /nfs/dbraw/zinc/70/82/80/635708280.db2.gz YXMWPIKEYWAGRT-NXEZZACHSA-N 1 0 275.312 2.135 20 5 CEBDRO Cc1ccc([C@@H](Cn2ccnc2)NCC[N+](=O)[O-])c(C)c1 ZINC000905179187 635850993 /nfs/dbraw/zinc/85/09/93/635850993.db2.gz HRIZVZIOJMANRC-OAHLLOKOSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC000906172234 636634269 /nfs/dbraw/zinc/63/42/69/636634269.db2.gz PNJHZFXGCORQPP-UHFFFAOYSA-N 1 0 284.315 2.400 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830837961 637174720 /nfs/dbraw/zinc/17/47/20/637174720.db2.gz DOGNDEHMVDPLQU-GFCCVEGCSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1c(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000876550351 650321088 /nfs/dbraw/zinc/32/10/88/650321088.db2.gz ZZAKXUANVBKBKB-GUOLPTJISA-N 1 0 289.335 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000832782063 637668896 /nfs/dbraw/zinc/66/88/96/637668896.db2.gz GKXJNGYZWPFUMO-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCO)CC1CC1 ZINC000876639414 650370833 /nfs/dbraw/zinc/37/08/33/650370833.db2.gz PGAPOGVJBHQUBP-UHFFFAOYSA-N 1 0 278.352 2.416 20 5 CEBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC(=O)N1 ZINC000835059863 638043748 /nfs/dbraw/zinc/04/37/48/638043748.db2.gz FQOFNBFZLCZKLW-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)(C)O ZINC000876736121 650413636 /nfs/dbraw/zinc/41/36/36/650413636.db2.gz GZRQJUKDYPOMOW-UHFFFAOYSA-N 1 0 266.341 2.414 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182839 638599617 /nfs/dbraw/zinc/59/96/17/638599617.db2.gz JDPWUGKGIAAJPL-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000876797466 650437064 /nfs/dbraw/zinc/43/70/64/650437064.db2.gz VCUAXOYZWFHRGM-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876863288 650463907 /nfs/dbraw/zinc/46/39/07/650463907.db2.gz CUNUNIPXJUSKJR-NSHDSACASA-N 1 0 287.319 2.215 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(F)c3)C2)c1 ZINC000876907678 650481484 /nfs/dbraw/zinc/48/14/84/650481484.db2.gz VWKMPPGYKSFOEH-UHFFFAOYSA-N 1 0 290.298 2.424 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000876934913 650492295 /nfs/dbraw/zinc/49/22/95/650492295.db2.gz LZNQEZPKBCNKLX-UWVGGRQHSA-N 1 0 279.340 2.067 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000225589091 639508197 /nfs/dbraw/zinc/50/81/97/639508197.db2.gz RDBQBNYGDULOMZ-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO CSCCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000229248802 639686172 /nfs/dbraw/zinc/68/61/72/639686172.db2.gz SQJVNWFEZFIQBF-ZDUSSCGKSA-N 1 0 284.381 2.361 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233199 639713449 /nfs/dbraw/zinc/71/34/49/639713449.db2.gz OEHVZSSKOUQAGG-RQJHMYQMSA-N 1 0 286.719 2.105 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208878 639746595 /nfs/dbraw/zinc/74/65/95/639746595.db2.gz AVJSVSMVIXRKBY-ZWNOBZJWSA-N 1 0 280.324 2.397 20 5 CEBDRO CCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351133 639748462 /nfs/dbraw/zinc/74/84/62/639748462.db2.gz OWTOGPPBYZZUGY-ZDUSSCGKSA-N 1 0 252.314 2.360 20 5 CEBDRO Cn1nccc1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230777286 639786143 /nfs/dbraw/zinc/78/61/43/639786143.db2.gz DRGHKFOWZJNKAE-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063191403 639837598 /nfs/dbraw/zinc/83/75/98/639837598.db2.gz FFXCZNYZNXUXLT-RISCZKNCSA-N 1 0 263.341 2.297 20 5 CEBDRO Cc1c(C[NH2+]CCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000231885274 639881984 /nfs/dbraw/zinc/88/19/84/639881984.db2.gz PJXLXNGDLPGQHE-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000877085319 650565333 /nfs/dbraw/zinc/56/53/33/650565333.db2.gz SHTVLKSCGVRPOF-GCZXYKMCSA-N 1 0 296.396 2.370 20 5 CEBDRO C[C@@H](C[NH3+])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843052291 640256682 /nfs/dbraw/zinc/25/66/82/640256682.db2.gz SBJUHMYTVBYCNX-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO CCC[NH2+][C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232767 640361217 /nfs/dbraw/zinc/36/12/17/640361217.db2.gz BWUFAJMVTBKRCQ-SECBINFHSA-N 1 0 270.333 2.118 20 5 CEBDRO CC(C)(CCc1noc(-c2ccc(C[NH3+])cc2)n1)[N+](=O)[O-] ZINC000843234213 640362288 /nfs/dbraw/zinc/36/22/88/640362288.db2.gz SFADNIRMKPEPSY-UHFFFAOYSA-N 1 0 290.323 2.183 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238802 640365349 /nfs/dbraw/zinc/36/53/49/640365349.db2.gz ZTNBEJUWSFXPPI-MRVPVSSYSA-N 1 0 276.296 2.276 20 5 CEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC1([NH3+])CCC1)CC2 ZINC000843493511 640443159 /nfs/dbraw/zinc/44/31/59/640443159.db2.gz DREFJBFDRSEKLQ-UHFFFAOYSA-N 1 0 289.335 2.064 20 5 CEBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915209183 640529310 /nfs/dbraw/zinc/52/93/10/640529310.db2.gz KKQQEFQXAJPLSZ-SNVBAGLBSA-N 1 0 254.334 2.342 20 5 CEBDRO Cc1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000845811725 641098553 /nfs/dbraw/zinc/09/85/53/641098553.db2.gz SXEMSZNZKCFDLF-YPMHNXCESA-N 1 0 292.335 2.400 20 5 CEBDRO CC1(C)OCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000848545759 642046491 /nfs/dbraw/zinc/04/64/91/642046491.db2.gz JMYNACWBLGISGD-CYBMUJFWSA-N 1 0 292.335 2.323 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000848753547 642128399 /nfs/dbraw/zinc/12/83/99/642128399.db2.gz IJQBLGZCSVFKOD-JGZJWPJOSA-N 1 0 294.311 2.255 20 5 CEBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])NCC1CCC1 ZINC000849009916 642226348 /nfs/dbraw/zinc/22/63/48/642226348.db2.gz KCGGGGSZNWALOO-UHFFFAOYSA-N 1 0 276.340 2.051 20 5 CEBDRO COC1CC(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000849327570 642332334 /nfs/dbraw/zinc/33/23/34/642332334.db2.gz OLLPIWRCGKFOEG-KWCHVYNWSA-N 1 0 294.351 2.033 20 5 CEBDRO CON(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850481216 642727902 /nfs/dbraw/zinc/72/79/02/642727902.db2.gz ZKAVFHIGINKSPS-NSHDSACASA-N 1 0 267.329 2.047 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480624 642728018 /nfs/dbraw/zinc/72/80/18/642728018.db2.gz AKZCZIISMJAZOD-ONGXEEELSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850545666 642747556 /nfs/dbraw/zinc/74/75/56/642747556.db2.gz QUWJOYNOEDQGKX-CMPLNLGQSA-N 1 0 293.367 2.236 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877596123 650807613 /nfs/dbraw/zinc/80/76/13/650807613.db2.gz NJBUZKHHMWNBPD-MLCFOIATSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CSC1 ZINC000877634749 650825685 /nfs/dbraw/zinc/82/56/85/650825685.db2.gz RQKICWVGBUTLLW-VIFPVBQESA-N 1 0 295.364 2.017 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000228411376 643375948 /nfs/dbraw/zinc/37/59/48/643375948.db2.gz ZUCBGZXTCOMXNL-HNNXBMFYSA-N 1 0 288.303 2.124 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCOCC2)c(F)c1 ZINC000922928868 643459661 /nfs/dbraw/zinc/45/96/61/643459661.db2.gz DJTCCVCBGYTWDW-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242757 643720516 /nfs/dbraw/zinc/72/05/16/643720516.db2.gz WSYMAMOZGTZHCH-GHMZBOCLSA-N 1 0 297.380 2.240 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853245953 643720904 /nfs/dbraw/zinc/72/09/04/643720904.db2.gz DXVBEQLCMHJDII-UHFFFAOYSA-N 1 0 281.743 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000853579713 643820739 /nfs/dbraw/zinc/82/07/39/643820739.db2.gz MNNMDJBSOPPMJJ-JQWIXIFHSA-N 1 0 272.308 2.244 20 5 CEBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000853591159 643827140 /nfs/dbraw/zinc/82/71/40/643827140.db2.gz XLLCUNQMCZEGBO-LBPRGKRZSA-N 1 0 264.329 2.261 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000853748025 643887459 /nfs/dbraw/zinc/88/74/59/643887459.db2.gz GQTJEHGNMVYDJA-NSHDSACASA-N 1 0 278.356 2.462 20 5 CEBDRO CCC[N@@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000853905519 643939904 /nfs/dbraw/zinc/93/99/04/643939904.db2.gz BTRQWTSWGQBDLB-NSHDSACASA-N 1 0 289.339 2.139 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C/C=C/Cl)CC2 ZINC000754217866 644342496 /nfs/dbraw/zinc/34/24/96/644342496.db2.gz FTIFYQCZZXVXQM-HNQUOIGGSA-N 1 0 253.689 2.100 20 5 CEBDRO COCC(C)(C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877804321 650915060 /nfs/dbraw/zinc/91/50/60/650915060.db2.gz SRKYUYPVKQEOGJ-UHFFFAOYSA-N 1 0 296.371 2.147 20 5 CEBDRO COC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754511545 644383352 /nfs/dbraw/zinc/38/33/52/644383352.db2.gz ACTXBHDDWKKKPT-AWEZNQCLSA-N 1 0 292.335 2.069 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000754543784 644387988 /nfs/dbraw/zinc/38/79/88/644387988.db2.gz YYKYLMGKMHARGF-ZDUSSCGKSA-N 1 0 296.298 2.165 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877806969 650916792 /nfs/dbraw/zinc/91/67/92/650916792.db2.gz NBIJECBQEPWMQX-CYBMUJFWSA-N 1 0 292.335 2.070 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669141 644777653 /nfs/dbraw/zinc/77/76/53/644777653.db2.gz MKCPGMSUNRDBPE-QWRGUYRKSA-N 1 0 282.315 2.327 20 5 CEBDRO CC1(C)OCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000758009796 644869977 /nfs/dbraw/zinc/86/99/77/644869977.db2.gz AATCXHVDKIIVNZ-ALCCZGGFSA-N 1 0 292.335 2.349 20 5 CEBDRO Cc1ccc(N2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC000857899999 645002489 /nfs/dbraw/zinc/00/24/89/645002489.db2.gz VVPQQTCIYSJPHR-UHFFFAOYSA-N 1 0 284.319 2.443 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000761099024 645239968 /nfs/dbraw/zinc/23/99/68/645239968.db2.gz XISXODIHCPVMJC-MFKMUULPSA-N 1 0 275.308 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCn1ccnn1 ZINC000126889323 650994457 /nfs/dbraw/zinc/99/44/57/650994457.db2.gz GONGFIGXMAQWPN-UHFFFAOYSA-N 1 0 295.730 2.020 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)C2CC2)cc1Cl ZINC000761527226 645294409 /nfs/dbraw/zinc/29/44/09/645294409.db2.gz QLOMYNJCHMSXIP-GFCCVEGCSA-N 1 0 284.743 2.499 20 5 CEBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([NH+](C)C)CC1 ZINC000763204478 645514751 /nfs/dbraw/zinc/51/47/51/645514751.db2.gz SEUDANQCXNFWSW-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000765771997 645807438 /nfs/dbraw/zinc/80/74/38/645807438.db2.gz UIYDDUJZYDVOCI-NEPJUHHUSA-N 1 0 263.341 2.258 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768525728 646135567 /nfs/dbraw/zinc/13/55/67/646135567.db2.gz KWKCIVKOZZQOAF-UWVGGRQHSA-N 1 0 294.311 2.032 20 5 CEBDRO C/C(=C\C(=O)N[C@@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000805429320 646509562 /nfs/dbraw/zinc/50/95/62/646509562.db2.gz CIZRTVRWVJBPOC-ZKQHCESOSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000772986716 646692860 /nfs/dbraw/zinc/69/28/60/646692860.db2.gz CYQHHTFESVMOHG-HZMBPMFUSA-N 1 0 264.325 2.325 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccon2)n1 ZINC000774206200 646818801 /nfs/dbraw/zinc/81/88/01/646818801.db2.gz DAVMIKPAGOFSCN-NEPJUHHUSA-N 1 0 291.311 2.053 20 5 CEBDRO CC[N@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)C1CC1 ZINC000865499024 647327512 /nfs/dbraw/zinc/32/75/12/647327512.db2.gz HTFVLVXHACUCNJ-UHFFFAOYSA-N 1 0 297.330 2.122 20 5 CEBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[N@H+](C)C1CC1 ZINC000865504646 647330054 /nfs/dbraw/zinc/33/00/54/647330054.db2.gz VGVOLPOCXMXAHE-VIFPVBQESA-N 1 0 297.330 2.121 20 5 CEBDRO COc1cc(C[NH2+][C@H]2C[C@H](SC)C2)c([N+](=O)[O-])cc1O ZINC000865734051 647444793 /nfs/dbraw/zinc/44/47/93/647444793.db2.gz GLPPSVGBPAZHRZ-MGCOHNPYSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1cnc(N[C@@H]2CCCN(CCF)C2)c([N+](=O)[O-])c1 ZINC000865927525 647538330 /nfs/dbraw/zinc/53/83/30/647538330.db2.gz CTEWJOSZBZAUKW-LLVKDONJSA-N 1 0 282.319 2.144 20 5 CEBDRO C[NH+](C)C1(C)CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000866147663 647629473 /nfs/dbraw/zinc/62/94/73/647629473.db2.gz UGYBWHIOKYXAAJ-UHFFFAOYSA-N 1 0 294.355 2.370 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866205908 647669155 /nfs/dbraw/zinc/66/91/55/647669155.db2.gz ODISDUUHUQYTOF-TVQRCGJNSA-N 1 0 297.305 2.403 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866206282 647669241 /nfs/dbraw/zinc/66/92/41/647669241.db2.gz RIWSEGVLCICTDL-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)C1 ZINC000866241062 647689101 /nfs/dbraw/zinc/68/91/01/647689101.db2.gz UWQVQGUBZXGCSD-SMDDNHRTSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000866242664 647690193 /nfs/dbraw/zinc/69/01/93/647690193.db2.gz QJVLPKJOFYJZIL-SMDDNHRTSA-N 1 0 295.358 2.349 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265931 647705169 /nfs/dbraw/zinc/70/51/69/647705169.db2.gz VODFKSFZSVXYCK-GXFFZTMASA-N 1 0 284.331 2.416 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866271160 647709578 /nfs/dbraw/zinc/70/95/78/647709578.db2.gz DZALFBVJDFIYOP-GXFFZTMASA-N 1 0 284.331 2.416 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783579736 647731765 /nfs/dbraw/zinc/73/17/65/647731765.db2.gz IADGKCPHRWWYFI-MFKMUULPSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000866346999 647748322 /nfs/dbraw/zinc/74/83/22/647748322.db2.gz IPWQINHNTPSXEX-UHIISALHSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCC1 ZINC000866385858 647767440 /nfs/dbraw/zinc/76/74/40/647767440.db2.gz RHUFPOQYXDNSDN-QMTHXVAHSA-N 1 0 296.342 2.416 20 5 CEBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000784033956 647791252 /nfs/dbraw/zinc/79/12/52/647791252.db2.gz IIZYTXDRVYXHBR-JTQLQIEISA-N 1 0 252.318 2.117 20 5 CEBDRO C[C@@H]1CCC[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956706 648001450 /nfs/dbraw/zinc/00/14/50/648001450.db2.gz SDDOCIDSSUTYFP-YVLXSGLVSA-N 1 0 291.351 2.074 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786584893 648030017 /nfs/dbraw/zinc/03/00/17/648030017.db2.gz WHNWOLAXDBTGCV-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788690321 648215417 /nfs/dbraw/zinc/21/54/17/648215417.db2.gz WYRXPOKMFWYHHY-WDEREUQCSA-N 1 0 281.356 2.236 20 5 CEBDRO C[C@@H]([NH2+]CCCOC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788818722 648226897 /nfs/dbraw/zinc/22/68/97/648226897.db2.gz QVHGIMJYQJMXNZ-MRVPVSSYSA-N 1 0 289.282 2.457 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)C(C)C ZINC000871741472 649165019 /nfs/dbraw/zinc/16/50/19/649165019.db2.gz UCDHBKVEDMJTGS-UHFFFAOYSA-N 1 0 267.285 2.258 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040099 649250743 /nfs/dbraw/zinc/25/07/43/649250743.db2.gz JMIHNNBGHOSRQT-NXEZZACHSA-N 1 0 270.304 2.403 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000872217552 649319642 /nfs/dbraw/zinc/31/96/42/649319642.db2.gz ZQOJMPLLEUVXML-SMDDNHRTSA-N 1 0 296.392 2.361 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC23CCC3)c1 ZINC000872250081 649327950 /nfs/dbraw/zinc/32/79/50/649327950.db2.gz FPQBBANYSBPEEN-STQMWFEESA-N 1 0 262.309 2.160 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000872313163 649354004 /nfs/dbraw/zinc/35/40/04/649354004.db2.gz FIIWQOJNJJDXJT-CABCVRRESA-N 1 0 292.335 2.275 20 5 CEBDRO COCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007407 649529560 /nfs/dbraw/zinc/52/95/60/649529560.db2.gz PBPILMVJJGXKDM-UHFFFAOYSA-N 1 0 252.314 2.338 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)NC(C)C ZINC000873010587 649530513 /nfs/dbraw/zinc/53/05/13/649530513.db2.gz MAFIAIHGVDPHRU-UHFFFAOYSA-N 1 0 293.367 2.216 20 5 CEBDRO Cc1c(C[NH2+]CCC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000873104423 649559304 /nfs/dbraw/zinc/55/93/04/649559304.db2.gz MPRYNOAJDQSSFD-UHFFFAOYSA-N 1 0 280.324 2.146 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000873109224 649559791 /nfs/dbraw/zinc/55/97/91/649559791.db2.gz HVTMFHNMZHSUKS-ZDUSSCGKSA-N 1 0 286.335 2.204 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)C[NH+](C)C ZINC000873126778 649564660 /nfs/dbraw/zinc/56/46/60/649564660.db2.gz COIMWYKVMJGZBO-LLVKDONJSA-N 1 0 279.384 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000873132171 649565825 /nfs/dbraw/zinc/56/58/25/649565825.db2.gz KEVZWBRXGJEYDM-VDISTLRHSA-N 1 0 264.325 2.215 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c(F)c1 ZINC000873230748 649602874 /nfs/dbraw/zinc/60/28/74/649602874.db2.gz XQJKXJSXZLEBOZ-ZIAGYGMSSA-N 1 0 279.315 2.108 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000879572864 651324103 /nfs/dbraw/zinc/32/41/03/651324103.db2.gz KALOYGCTMIQAPN-BXUZGUMPSA-N 1 0 293.342 2.260 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000880144134 651392149 /nfs/dbraw/zinc/39/21/49/651392149.db2.gz XHMZUVSGEDCSIL-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(F)CC2)cc1 ZINC000880242896 651407781 /nfs/dbraw/zinc/40/77/81/651407781.db2.gz PMKPXHZBDGROOU-UHFFFAOYSA-N 1 0 268.288 2.408 20 5 CEBDRO C[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129149509 651834821 /nfs/dbraw/zinc/83/48/21/651834821.db2.gz YDDLHTOGBLFNMR-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NCCC[NH+]1CCCCC1 ZINC000881776007 651880660 /nfs/dbraw/zinc/88/06/60/651880660.db2.gz WQIJOBQIBSSWRY-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351504 652043118 /nfs/dbraw/zinc/04/31/18/652043118.db2.gz VNUURTUAMZIYPP-WDEREUQCSA-N 1 0 294.330 2.192 20 5 CEBDRO CSCC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130236097 652231664 /nfs/dbraw/zinc/23/16/64/652231664.db2.gz ZLOVKKCILMPSOQ-GWCFXTLKSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000882960934 652292799 /nfs/dbraw/zinc/29/27/99/652292799.db2.gz ZTPOFYMBRYWCLG-LLVKDONJSA-N 1 0 287.323 2.044 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccoc2)cs1 ZINC000883269597 652419269 /nfs/dbraw/zinc/41/92/69/652419269.db2.gz PJQZDWZIORRVOU-LLVKDONJSA-N 1 0 296.348 2.190 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000883320036 652431469 /nfs/dbraw/zinc/43/14/69/652431469.db2.gz YLNATOIRUHKYKF-JBLDHEPKSA-N 1 0 279.340 2.253 20 5 CEBDRO CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH3+] ZINC000883441913 652471297 /nfs/dbraw/zinc/47/12/97/652471297.db2.gz ACPDANRHPRXJSE-NWDGAFQWSA-N 1 0 283.759 2.464 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000800075685 652644120 /nfs/dbraw/zinc/64/41/20/652644120.db2.gz IVDXSPMEXUHMAP-UHFFFAOYSA-N 1 0 295.339 2.066 20 5 CEBDRO C[C@](C[NH3+])(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000133728299 652710547 /nfs/dbraw/zinc/71/05/47/652710547.db2.gz NELSHUFILFQPBG-CYBMUJFWSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364979 652816869 /nfs/dbraw/zinc/81/68/69/652816869.db2.gz BJHUCUNOEDOJGB-NEPJUHHUSA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCS2)cc1 ZINC000134758582 652872573 /nfs/dbraw/zinc/87/25/73/652872573.db2.gz JDJOVCRVUGZEJX-QWHCGFSZSA-N 1 0 282.365 2.113 20 5 CEBDRO Cc1c(C[NH2+]CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000135093656 652927406 /nfs/dbraw/zinc/92/74/06/652927406.db2.gz QIIGRRXGZVTHPL-UHFFFAOYSA-N 1 0 252.314 2.011 20 5 CEBDRO C[C@@H]1CN(c2cc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164642311 719167713 /nfs/dbraw/zinc/16/77/13/719167713.db2.gz XJDBMFKOCUGGMF-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2sc(=O)oc2c1 ZINC001228427465 806230366 /nfs/dbraw/zinc/23/03/66/806230366.db2.gz YIEDETOGAVBYMA-SECBINFHSA-N 1 0 268.358 2.328 20 5 CEBDRO Cc1c(NC2(C)CC[NH2+]CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168185604 806386134 /nfs/dbraw/zinc/38/61/34/806386134.db2.gz JZRBZRMWVMTXSN-UHFFFAOYSA-N 1 0 294.311 2.365 20 5 CEBDRO Cc1c(N[C@H]2C[NH2+]CC[C@H]2F)cc(F)cc1[N+](=O)[O-] ZINC001168226774 806421976 /nfs/dbraw/zinc/42/19/76/806421976.db2.gz GRSCVWOXHZQEDB-KOLCDFICSA-N 1 0 271.267 2.154 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160354981 806866715 /nfs/dbraw/zinc/86/67/15/806866715.db2.gz DVABFGYRDXSCDD-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO COc1ccc2c(c1)CC[C@H](OCC[N+](C)(C)C)C2 ZINC001224774369 806950879 /nfs/dbraw/zinc/95/08/79/806950879.db2.gz RNSKJFOGRTYVLK-INIZCTEOSA-N 1 0 264.389 2.275 20 5 CEBDRO Cc1nc(N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000305921368 802852254 /nfs/dbraw/zinc/85/22/54/802852254.db2.gz MDLYTIJQNVMGJD-JTQLQIEISA-N 1 0 252.318 2.084 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530608 814763854 /nfs/dbraw/zinc/76/38/54/814763854.db2.gz PIJPHFOAVFPTIZ-SECBINFHSA-N 1 0 255.705 2.364 20 5 CEBDRO Cc1c(O[C@@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001217968079 803519645 /nfs/dbraw/zinc/51/96/45/803519645.db2.gz IJYBTZLTUKSKIV-LLVKDONJSA-N 1 0 250.298 2.424 20 5 CEBDRO N=c1cc(C[NH3+])ccn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001167691764 803527651 /nfs/dbraw/zinc/52/76/51/803527651.db2.gz INBLEIQMOYSNPC-UHFFFAOYSA-N 1 0 294.314 2.477 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000715554832 814978813 /nfs/dbraw/zinc/97/88/13/814978813.db2.gz YHTYMUQNAOOFHK-QWRGUYRKSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCC[NH3+])n1 ZINC001118184064 814991135 /nfs/dbraw/zinc/99/11/35/814991135.db2.gz SVITUCRGWSIBHE-UHFFFAOYSA-N 1 0 276.296 2.153 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000136799406 804351095 /nfs/dbraw/zinc/35/10/95/804351095.db2.gz FPEKGGPYSRCBEU-LLVKDONJSA-N 1 0 265.313 2.297 20 5 CEBDRO [NH3+]C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000262009389 805486006 /nfs/dbraw/zinc/48/60/06/805486006.db2.gz UZFFMMJUDOKRNN-UHFFFAOYSA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794299 807849022 /nfs/dbraw/zinc/84/90/22/807849022.db2.gz YMPGPCIHVYMPCT-KCJUWKMLSA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699807856 807853172 /nfs/dbraw/zinc/85/31/72/807853172.db2.gz CPLNTZNOVNAOEK-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699839186 807869716 /nfs/dbraw/zinc/86/97/16/807869716.db2.gz SMZXIHSCQVPBJJ-CMPLNLGQSA-N 1 0 250.298 2.028 20 5 CEBDRO CCC1(Nc2cc(F)cc([N+](=O)[O-])c2C)C[NH2+]C1 ZINC001168583609 808670455 /nfs/dbraw/zinc/67/04/55/808670455.db2.gz OAARFYQMUUKPPH-UHFFFAOYSA-N 1 0 253.277 2.206 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC1 ZINC000131484993 808684829 /nfs/dbraw/zinc/68/48/29/808684829.db2.gz UFBLPMMPRZVEIT-JTQLQIEISA-N 1 0 256.689 2.127 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC001168593926 808689997 /nfs/dbraw/zinc/68/99/97/808689997.db2.gz XFLPVKFTOQBWKJ-RYUDHWBXSA-N 1 0 264.329 2.275 20 5 CEBDRO Cn1cc([N+](=O)[O-])c(NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000715537800 808761866 /nfs/dbraw/zinc/76/18/66/808761866.db2.gz ITHLDSTUTJRSNH-UHFFFAOYSA-N 1 0 281.360 2.003 20 5 CEBDRO CC1(C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000700603413 809330893 /nfs/dbraw/zinc/33/08/93/809330893.db2.gz UGNRVBULDXQLSS-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000700618933 809333804 /nfs/dbraw/zinc/33/38/04/809333804.db2.gz FXOPOMDYXQVLCT-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000701937533 809476714 /nfs/dbraw/zinc/47/67/14/809476714.db2.gz YXHJUMUBLRCXBE-JQWIXIFHSA-N 1 0 286.278 2.263 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061936 809491889 /nfs/dbraw/zinc/49/18/89/809491889.db2.gz GARJBGIUMQPKGY-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702636991 809572629 /nfs/dbraw/zinc/57/26/29/809572629.db2.gz WIFCXYSCRBFQBU-KWQFWETISA-N 1 0 269.732 2.170 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422841 810070074 /nfs/dbraw/zinc/07/00/74/810070074.db2.gz CYPKHMHGNCAYAX-GWCFXTLKSA-N 1 0 280.324 2.397 20 5 CEBDRO C[NH2+]CCCCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001121897692 815365274 /nfs/dbraw/zinc/36/52/74/815365274.db2.gz ZAOMAUOERDQDRJ-GFCCVEGCSA-N 1 0 293.367 2.470 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC001122252097 815395964 /nfs/dbraw/zinc/39/59/64/815395964.db2.gz KBPJGQHWTJLDAQ-JTNHKYCSSA-N 1 0 293.367 2.391 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122600096 815429780 /nfs/dbraw/zinc/42/97/80/815429780.db2.gz RZIZDEJXRIAFSS-CYBMUJFWSA-N 1 0 265.313 2.359 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2)C1 ZINC001168977821 811307489 /nfs/dbraw/zinc/30/74/89/811307489.db2.gz MGCOLAHAECHGDD-SWHYSGLUSA-N 1 0 298.770 2.408 20 5 CEBDRO CC(C)c1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001168979028 811307737 /nfs/dbraw/zinc/30/77/37/811307737.db2.gz WFNNGHGLTSTKBY-QWRGUYRKSA-N 1 0 267.329 2.333 20 5 CEBDRO C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985393 811311730 /nfs/dbraw/zinc/31/17/30/811311730.db2.gz DXSBCJWWZRGHQA-MCIONIFRSA-N 1 0 278.352 2.489 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(OC)c1 ZINC001168958714 811312273 /nfs/dbraw/zinc/31/22/73/811312273.db2.gz ONSLUTXRURBKJK-YPMHNXCESA-N 1 0 294.351 2.239 20 5 CEBDRO CC(C)N(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956534 811313058 /nfs/dbraw/zinc/31/30/58/811313058.db2.gz BMRUXEXKDFWRRM-KBPBESRZSA-N 1 0 271.405 2.140 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2ccncc2)C1 ZINC001168965951 811316577 /nfs/dbraw/zinc/31/65/77/811316577.db2.gz FDIXQXHNXCKWNB-UONOGXRCSA-N 1 0 263.341 2.049 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001168965850 811317044 /nfs/dbraw/zinc/31/70/44/811317044.db2.gz CREYOAAZPCBLSG-JBLDHEPKSA-N 1 0 267.304 2.317 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC001168965903 811317347 /nfs/dbraw/zinc/31/73/47/811317347.db2.gz DHVUAMTVOMQRJA-KWCYVHTRSA-N 1 0 276.336 2.025 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967105 811318267 /nfs/dbraw/zinc/31/82/67/811318267.db2.gz NHKLIEVMGHAYLF-QWHCGFSZSA-N 1 0 264.325 2.230 20 5 CEBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966287 811319486 /nfs/dbraw/zinc/31/94/86/811319486.db2.gz HMSSQOALLCCGFO-ZIAGYGMSSA-N 1 0 291.351 2.180 20 5 CEBDRO CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168974006 811322248 /nfs/dbraw/zinc/32/22/48/811322248.db2.gz PXFGLZSJFDALGJ-ZJUUUORDSA-N 1 0 262.300 2.457 20 5 CEBDRO COc1cccc(OC)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974624 811323344 /nfs/dbraw/zinc/32/33/44/811323344.db2.gz RKEKYSSUAKSYGF-NEPJUHHUSA-N 1 0 294.351 2.239 20 5 CEBDRO [NH3+]Cc1cc2ccncc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997090 811325216 /nfs/dbraw/zinc/32/52/16/811325216.db2.gz XMTKSSRYTIEECH-ZYHUDNBSSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001168997048 811325640 /nfs/dbraw/zinc/32/56/40/811325640.db2.gz XDUPYMAMBFJQCB-SFYZADRCSA-N 1 0 275.761 2.332 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999398 811327313 /nfs/dbraw/zinc/32/73/13/811327313.db2.gz SQRKWLVUWYOARG-GWCFXTLKSA-N 1 0 280.299 2.043 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccn1 ZINC001169001042 811327749 /nfs/dbraw/zinc/32/77/49/811327749.db2.gz CNCVNFQCXZRCBK-DMDPSCGWSA-N 1 0 279.340 2.186 20 5 CEBDRO COC(=O)CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168987993 811337909 /nfs/dbraw/zinc/33/79/09/811337909.db2.gz MEUKZIVTRUSWII-STQMWFEESA-N 1 0 298.383 2.287 20 5 CEBDRO COCc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168991314 811338992 /nfs/dbraw/zinc/33/89/92/811338992.db2.gz GHPZRIIRLQWSCV-HUUCEWRRSA-N 1 0 278.352 2.368 20 5 CEBDRO CCCOC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030297 811342886 /nfs/dbraw/zinc/34/28/86/811342886.db2.gz YEGPGUXBWSIOSF-QWHCGFSZSA-N 1 0 270.373 2.323 20 5 CEBDRO CCCOC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030298 811344681 /nfs/dbraw/zinc/34/46/81/811344681.db2.gz YEGPGUXBWSIOSF-STQMWFEESA-N 1 0 270.373 2.323 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC001169034216 811345364 /nfs/dbraw/zinc/34/53/64/811345364.db2.gz GAHYJVPSNJXDIM-SNPRPXQTSA-N 1 0 275.352 2.316 20 5 CEBDRO CC[N@H+](Cc1ccccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036903 811345436 /nfs/dbraw/zinc/34/54/36/811345436.db2.gz QMRBZFPBXJTHOQ-TZMCWYRMSA-N 1 0 263.341 2.349 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ncccn3)CC2)C1 ZINC001169033642 811346612 /nfs/dbraw/zinc/34/66/12/811346612.db2.gz CUVOGSAEDFVMSR-OCCSQVGLSA-N 1 0 290.367 2.101 20 5 CEBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038024 811349037 /nfs/dbraw/zinc/34/90/37/811349037.db2.gz VCZKVJNOIGCKTG-FVCCEPFGSA-N 1 0 266.341 2.018 20 5 CEBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169025905 811355572 /nfs/dbraw/zinc/35/55/72/811355572.db2.gz JUWXAKNCSPYJRF-AIEDFZFUSA-N 1 0 282.384 2.179 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1COC(=O)C1 ZINC001169120998 811389714 /nfs/dbraw/zinc/38/97/14/811389714.db2.gz CLHSCLXTOCSQJJ-CYBMUJFWSA-N 1 0 263.361 2.010 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001170297138 812376014 /nfs/dbraw/zinc/37/60/14/812376014.db2.gz KHZVFAFQCBCGGG-WCQYABFASA-N 1 0 294.351 2.303 20 5 CEBDRO CCC[C@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304501 812380255 /nfs/dbraw/zinc/38/02/55/812380255.db2.gz CQXDNVZIRQNVIX-DGCLKSJQSA-N 1 0 296.367 2.285 20 5 CEBDRO CC[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327119 812387060 /nfs/dbraw/zinc/38/70/60/812387060.db2.gz FAPPUXXSEPAIQK-JTQLQIEISA-N 1 0 252.314 2.486 20 5 CEBDRO CC(C)N1CC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254538356 812477557 /nfs/dbraw/zinc/47/75/57/812477557.db2.gz STWZSOVIBPUXCY-LBPRGKRZSA-N 1 0 277.368 2.208 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC001172901635 815539353 /nfs/dbraw/zinc/53/93/53/815539353.db2.gz PCRWGZCNOGFWLC-XFJVYGCCSA-N 1 0 290.363 2.203 20 5 CEBDRO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172898620 815539520 /nfs/dbraw/zinc/53/95/20/815539520.db2.gz IBCHXEDSWLFGQA-ZDUSSCGKSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ncccn1)CC2 ZINC001172897314 815539532 /nfs/dbraw/zinc/53/95/32/815539532.db2.gz YWWBWJSIJQEJKN-AWEZNQCLSA-N 1 0 298.346 2.422 20 5 CEBDRO C[C@@]1(O)C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901869 815540016 /nfs/dbraw/zinc/54/00/16/815540016.db2.gz QMLMGMONTSDEQP-IIAWOOMASA-N 1 0 290.363 2.345 20 5 CEBDRO [NH3+]Cc1ccnn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896347 815542481 /nfs/dbraw/zinc/54/24/81/815542481.db2.gz OLWRMSBQFXHQMA-ZDUSSCGKSA-N 1 0 286.335 2.370 20 5 CEBDRO [NH3+]Cc1cncn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896667 815543862 /nfs/dbraw/zinc/54/38/62/815543862.db2.gz QTGXTHGRZOOWFS-ZDUSSCGKSA-N 1 0 286.335 2.370 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)CC2 ZINC001172918219 815544791 /nfs/dbraw/zinc/54/47/91/815544791.db2.gz ZFBOSOCONBSWJM-BPUTZDHNSA-N 1 0 288.347 2.315 20 5 CEBDRO O=[N+]([O-])c1cccc2ccc(N3CCC4(C[NH2+]C4)CC3)nc21 ZINC001159042407 813194668 /nfs/dbraw/zinc/19/46/68/813194668.db2.gz UUBYDAKDQIVDBR-UHFFFAOYSA-N 1 0 298.346 2.333 20 5 CEBDRO Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001124126378 815601260 /nfs/dbraw/zinc/60/12/60/815601260.db2.gz LULDZFBSPLMXJN-ZDUSSCGKSA-N 1 0 279.340 2.428 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NCC(C)C ZINC001116484140 814857605 /nfs/dbraw/zinc/85/76/05/814857605.db2.gz WXFIJLYHOHOBJF-LBPRGKRZSA-N 1 0 293.367 2.326 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000714028016 814882986 /nfs/dbraw/zinc/88/29/86/814882986.db2.gz CTDDCIVNSBRSOK-IAQYHMDHSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCOC2 ZINC001173223970 815628168 /nfs/dbraw/zinc/62/81/68/815628168.db2.gz CMNKLUVODVATDP-GFCCVEGCSA-N 1 0 276.336 2.248 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC001173229971 815631017 /nfs/dbraw/zinc/63/10/17/815631017.db2.gz WRAAIYYXQAIULW-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCF)CC1 ZINC001173233297 815632834 /nfs/dbraw/zinc/63/28/34/815632834.db2.gz KMPOMZXVMKWSBJ-ZDUSSCGKSA-N 1 0 295.358 2.113 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212992 815635471 /nfs/dbraw/zinc/63/54/71/815635471.db2.gz DZXOJLHQBVMCEI-NSHDSACASA-N 1 0 294.351 2.315 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001176524241 816434068 /nfs/dbraw/zinc/43/40/68/816434068.db2.gz MZKXBOWHBDBJKD-ZDUSSCGKSA-N 1 0 284.319 2.374 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601289588 346813514 /nfs/dbraw/zinc/81/35/14/346813514.db2.gz PIIULKWYNPQUSX-WZRBSPASSA-N 1 0 264.325 2.325 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)cc1 ZINC000079927994 343994536 /nfs/dbraw/zinc/99/45/36/343994536.db2.gz JBVVGQSOBMRXSD-UHFFFAOYSA-N 1 0 279.340 2.119 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601325039 346821581 /nfs/dbraw/zinc/82/15/81/346821581.db2.gz XVBYLGOZGHBUOC-LBPRGKRZSA-N 1 0 281.331 2.437 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337703120 214227125 /nfs/dbraw/zinc/22/71/25/214227125.db2.gz HAJURDIXHOGNPK-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000601333108 346822998 /nfs/dbraw/zinc/82/29/98/346822998.db2.gz AITRMUCJPGKFPA-RYUDHWBXSA-N 1 0 281.381 2.230 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(Cl)c1 ZINC000125328158 187179417 /nfs/dbraw/zinc/17/94/17/187179417.db2.gz SPOAWTOSWUHZQN-BHYNMZESSA-N 1 0 296.754 2.451 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449192255 282137054 /nfs/dbraw/zinc/13/70/54/282137054.db2.gz UAFDGWWJNOFSAD-FKANQGBASA-N 1 0 298.408 2.273 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOC(F)F ZINC000337790258 214264135 /nfs/dbraw/zinc/26/41/35/214264135.db2.gz AUJGMPXAVKFWDZ-UHFFFAOYSA-N 1 0 260.240 2.314 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586658 346855283 /nfs/dbraw/zinc/85/52/83/346855283.db2.gz KKOODPFWQUCPMI-SNVBAGLBSA-N 1 0 297.330 2.192 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977021 361877511 /nfs/dbraw/zinc/87/75/11/361877511.db2.gz OZNVGSLOEDOTOY-KGLIPLIRSA-N 1 0 291.351 2.304 20 5 CEBDRO COC(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000037566654 361904885 /nfs/dbraw/zinc/90/48/85/361904885.db2.gz FZXTZAAOVFGHGL-SNVBAGLBSA-N 1 0 268.313 2.173 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125446374 187185186 /nfs/dbraw/zinc/18/51/86/187185186.db2.gz KQMSZWWTZBDTBT-JEOXALJRSA-N 1 0 284.381 2.150 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125446589 187185295 /nfs/dbraw/zinc/18/52/95/187185295.db2.gz KQMSZWWTZBDTBT-NSPYISDASA-N 1 0 284.381 2.150 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655339 361919275 /nfs/dbraw/zinc/91/92/75/361919275.db2.gz KMPGFMONMVKKHS-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000037738571 361925441 /nfs/dbraw/zinc/92/54/41/361925441.db2.gz OXGJOLDYCGLBKW-SECBINFHSA-N 1 0 270.716 2.374 20 5 CEBDRO CC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000037978337 361969683 /nfs/dbraw/zinc/96/96/83/361969683.db2.gz XBFVTDKVNVUUHK-UHFFFAOYSA-N 1 0 295.368 2.200 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080605971 344016378 /nfs/dbraw/zinc/01/63/78/344016378.db2.gz CQPQDECCBIMZKJ-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000449420748 282228773 /nfs/dbraw/zinc/22/87/73/282228773.db2.gz GLDNQNIVODONNC-QWRGUYRKSA-N 1 0 292.257 2.228 20 5 CEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000035089303 343421454 /nfs/dbraw/zinc/42/14/54/343421454.db2.gz OFKXWUKNKVGNPO-UHFFFAOYSA-N 1 0 289.257 2.365 20 5 CEBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037160615 343425715 /nfs/dbraw/zinc/42/57/15/343425715.db2.gz NEKQHJFJIJSCDK-FZMZJTMJSA-N 1 0 293.367 2.406 20 5 CEBDRO CCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000047496466 362209444 /nfs/dbraw/zinc/20/94/44/362209444.db2.gz HNLNFHIHMWZHSD-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000043149766 343461396 /nfs/dbraw/zinc/46/13/96/343461396.db2.gz KOARVTAWDSUMAH-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC1 ZINC000049238170 343536182 /nfs/dbraw/zinc/53/61/82/343536182.db2.gz NBUPOVVDOAIAMR-JTQLQIEISA-N 1 0 277.324 2.264 20 5 CEBDRO CC(C)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049968828 343540155 /nfs/dbraw/zinc/54/01/55/343540155.db2.gz SSOKJOYHMONSER-UHFFFAOYSA-N 1 0 277.368 2.368 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295049940 199318802 /nfs/dbraw/zinc/31/88/02/199318802.db2.gz NISXYGLPJXGGSK-GHMZBOCLSA-N 1 0 274.267 2.089 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057159891 343625954 /nfs/dbraw/zinc/62/59/54/343625954.db2.gz GTXAPSWCLXHEGV-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000064570892 343692040 /nfs/dbraw/zinc/69/20/40/343692040.db2.gz MNDFBAHKJVAEDB-HNNXBMFYSA-N 1 0 275.352 2.265 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000449589379 282294632 /nfs/dbraw/zinc/29/46/32/282294632.db2.gz JZDLKNZDDUOTNG-ZJUUUORDSA-N 1 0 293.367 2.358 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000066808974 343722139 /nfs/dbraw/zinc/72/21/39/343722139.db2.gz MMKXVPLSVVUSGH-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602073485 346968716 /nfs/dbraw/zinc/96/87/16/346968716.db2.gz OWGNDBUIMXATSI-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000602027169 346964329 /nfs/dbraw/zinc/96/43/29/346964329.db2.gz DYQSTPUNFSSSFO-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000068341436 343761760 /nfs/dbraw/zinc/76/17/60/343761760.db2.gz RSQZVXHKBRWFSL-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000069047555 343779103 /nfs/dbraw/zinc/77/91/03/343779103.db2.gz MQKUDVOQFFERHU-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000351518961 219113244 /nfs/dbraw/zinc/11/32/44/219113244.db2.gz SWUYODJNTHEIRZ-HUUCEWRRSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)cn1 ZINC000072751765 343809963 /nfs/dbraw/zinc/80/99/63/343809963.db2.gz PXQZXZYNJBERBK-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000076250187 343886339 /nfs/dbraw/zinc/88/63/39/343886339.db2.gz WMWODKRBLWMJKJ-UHFFFAOYSA-N 1 0 291.351 2.201 20 5 CEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000078553717 343956634 /nfs/dbraw/zinc/95/66/34/343956634.db2.gz AKRZBXQJHPCSGB-LLVKDONJSA-N 1 0 292.339 2.201 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000337215808 213934890 /nfs/dbraw/zinc/93/48/90/213934890.db2.gz HBTUPMJWXIXHLS-CMPLNLGQSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000088725859 344113649 /nfs/dbraw/zinc/11/36/49/344113649.db2.gz INCSFQFXBLRQDN-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000088723035 344113818 /nfs/dbraw/zinc/11/38/18/344113818.db2.gz FHBWGFDGJQDHNM-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C1CC1)[NH+](C)C ZINC000091481940 344164753 /nfs/dbraw/zinc/16/47/53/344164753.db2.gz HSALCCGTESRGFQ-HNNXBMFYSA-N 1 0 293.367 2.493 20 5 CEBDRO COc1cc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000091481708 344164883 /nfs/dbraw/zinc/16/48/83/344164883.db2.gz AXISCRIOEBIJOR-CYBMUJFWSA-N 1 0 279.340 2.356 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580627 344124480 /nfs/dbraw/zinc/12/44/80/344124480.db2.gz RFXKZXWDTDSSAK-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602431149 347030509 /nfs/dbraw/zinc/03/05/09/347030509.db2.gz CFRQQHWCBFKBPC-LLVKDONJSA-N 1 0 297.330 2.179 20 5 CEBDRO Cn1cc(C[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])n1 ZINC000602436878 347032514 /nfs/dbraw/zinc/03/25/14/347032514.db2.gz SPGQLALIXTZZSI-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000092621887 344196600 /nfs/dbraw/zinc/19/66/00/344196600.db2.gz WAEIEXYBEUARQQ-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000049558804 362373122 /nfs/dbraw/zinc/37/31/22/362373122.db2.gz GGUXPCIYUCEXFG-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@H]1CO ZINC000449707372 282336512 /nfs/dbraw/zinc/33/65/12/282336512.db2.gz QQBYCTDZVILZMB-SZBGIYDQSA-N 1 0 276.336 2.359 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122570847 344307066 /nfs/dbraw/zinc/30/70/66/344307066.db2.gz YBWSBCPBVGBNTA-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(OCC[C@H]2CC[NH2+]C2)c1 ZINC000122523000 344307102 /nfs/dbraw/zinc/30/71/02/344307102.db2.gz OMNVTTLOOOEMFN-SECBINFHSA-N 1 0 254.261 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C(C)C)c1 ZINC000151780833 344422889 /nfs/dbraw/zinc/42/28/89/344422889.db2.gz QNMFGGSJWJMMFE-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO COc1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134906345 344378716 /nfs/dbraw/zinc/37/87/16/344378716.db2.gz IQKLRLUHDWDNBW-NSHDSACASA-N 1 0 291.351 2.500 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000137114163 344386890 /nfs/dbraw/zinc/38/68/90/344386890.db2.gz UMDGIDUMAXZCFP-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157376416 344445783 /nfs/dbraw/zinc/44/57/83/344445783.db2.gz XWCHYLPORWYMSI-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000228560579 344561035 /nfs/dbraw/zinc/56/10/35/344561035.db2.gz VFJOGGYFUSMARU-JTQLQIEISA-N 1 0 274.280 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000228560343 344561054 /nfs/dbraw/zinc/56/10/54/344561054.db2.gz LTOMINKOZCRIHJ-NSHDSACASA-N 1 0 274.280 2.378 20 5 CEBDRO Cc1cccc(OCC[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235906835 344593520 /nfs/dbraw/zinc/59/35/20/344593520.db2.gz YHWHFMRCPCESQG-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000449738804 282347324 /nfs/dbraw/zinc/34/73/24/282347324.db2.gz FSZSXWMIVGZOLO-XHDPSFHLSA-N 1 0 278.352 2.276 20 5 CEBDRO CC(C)(C)NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000052043342 362462066 /nfs/dbraw/zinc/46/20/66/362462066.db2.gz DMBUOVKNJQEJLU-UHFFFAOYSA-N 1 0 264.329 2.050 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000311895975 344736340 /nfs/dbraw/zinc/73/63/40/344736340.db2.gz XDOZQMRHMJCMOT-VROVMSAKSA-N 1 0 269.251 2.162 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305704 344872381 /nfs/dbraw/zinc/87/23/81/344872381.db2.gz KDHWMTGIGNGTCF-GMTAPVOTSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000127282971 187293907 /nfs/dbraw/zinc/29/39/07/187293907.db2.gz LSBBKOYNUOHCTR-YPMHNXCESA-N 1 0 293.367 2.421 20 5 CEBDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586025 344959716 /nfs/dbraw/zinc/95/97/16/344959716.db2.gz IGBQPMPKPDCGDM-HTQZYQBOSA-N 1 0 292.257 2.473 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584836348 344992079 /nfs/dbraw/zinc/99/20/79/344992079.db2.gz JJWDEDXXEPIHOM-ZFWWWQNUSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)[NH2+]1 ZINC000053711870 362497284 /nfs/dbraw/zinc/49/72/84/362497284.db2.gz DVKPSUORNTUHSV-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000351623385 219150288 /nfs/dbraw/zinc/15/02/88/219150288.db2.gz IBTBVGHCWFFDGD-AGLBCWCQSA-N 1 0 290.319 2.103 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071892 345037576 /nfs/dbraw/zinc/03/75/76/345037576.db2.gz NJIXMNMFUCIGPC-NEPJUHHUSA-N 1 0 276.340 2.053 20 5 CEBDRO CC[NH+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494765 345084300 /nfs/dbraw/zinc/08/43/00/345084300.db2.gz ZNYNBTCFAZUWFY-UHFFFAOYSA-N 1 0 266.297 2.223 20 5 CEBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000589747951 345097204 /nfs/dbraw/zinc/09/72/04/345097204.db2.gz ZIMPTJNRTXBGGV-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000590745553 345172751 /nfs/dbraw/zinc/17/27/51/345172751.db2.gz AEVOKEJQTPOBSZ-UHFFFAOYSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590404114 345133967 /nfs/dbraw/zinc/13/39/67/345133967.db2.gz UPIYKYUDQYTAOV-BXUZGUMPSA-N 1 0 291.351 2.068 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000590658109 345156443 /nfs/dbraw/zinc/15/64/43/345156443.db2.gz UZEFXAXRYUZMQU-OLZOCXBDSA-N 1 0 278.308 2.026 20 5 CEBDRO Cc1nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000591442909 345256213 /nfs/dbraw/zinc/25/62/13/345256213.db2.gz NAIWMRSJZGTFPZ-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000591278549 345237553 /nfs/dbraw/zinc/23/75/53/345237553.db2.gz OQWMUZFIZRXIML-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591447817 345256880 /nfs/dbraw/zinc/25/68/80/345256880.db2.gz AFRPJZWGTKEJGJ-XUJVJEKNSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437337 345254121 /nfs/dbraw/zinc/25/41/21/345254121.db2.gz GNIKJBSEVLSAPM-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577851 345265929 /nfs/dbraw/zinc/26/59/29/345265929.db2.gz IWIASBHJNNYHDC-DGCLKSJQSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1sc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356619 345344586 /nfs/dbraw/zinc/34/45/86/345344586.db2.gz BCCDQCANTVLQOS-SSDOTTSWSA-N 1 0 280.309 2.439 20 5 CEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375777 345347422 /nfs/dbraw/zinc/34/74/22/345347422.db2.gz ZSUKGBFLFLITKS-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592432279 345352944 /nfs/dbraw/zinc/35/29/44/345352944.db2.gz ALEMPILUMWHOQC-KBPBESRZSA-N 1 0 275.352 2.087 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000592438847 345353357 /nfs/dbraw/zinc/35/33/57/345353357.db2.gz PLSMRPMRDKFJIX-LLVKDONJSA-N 1 0 281.381 2.421 20 5 CEBDRO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489425 345359373 /nfs/dbraw/zinc/35/93/73/345359373.db2.gz VKNYNMWFGGMIMK-GXFFZTMASA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593188149 345450845 /nfs/dbraw/zinc/45/08/45/345450845.db2.gz WNYUDZQCICGYJW-UTUOFQBUSA-N 1 0 291.351 2.148 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)O ZINC000295107280 199348193 /nfs/dbraw/zinc/34/81/93/199348193.db2.gz HDWPRHYOJPEKMM-VIFPVBQESA-N 1 0 297.311 2.094 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C2CC2)CC1 ZINC000593457845 345490857 /nfs/dbraw/zinc/49/08/57/345490857.db2.gz NPICSZYRPZGTHN-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593681288 345520002 /nfs/dbraw/zinc/52/00/02/345520002.db2.gz FDMGPMOIHYKLJB-LLVKDONJSA-N 1 0 264.325 2.500 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593716495 345526511 /nfs/dbraw/zinc/52/65/11/345526511.db2.gz HKKBIGAOALDVRE-MBNYWOFBSA-N 1 0 291.351 2.290 20 5 CEBDRO [NH3+]CCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593737120 345530368 /nfs/dbraw/zinc/53/03/68/345530368.db2.gz NIYOQRNGTCMMSO-UHFFFAOYSA-N 1 0 281.331 2.295 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670411 345518788 /nfs/dbraw/zinc/51/87/88/345518788.db2.gz OZQWJOONOOHSHF-TXEJJXNPSA-N 1 0 291.351 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000594600475 345657108 /nfs/dbraw/zinc/65/71/08/345657108.db2.gz LJZOJOQEWRAYTC-CHWSQXEVSA-N 1 0 276.340 2.419 20 5 CEBDRO COc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000594591214 345653182 /nfs/dbraw/zinc/65/31/82/345653182.db2.gz HZPQFKYAJXMQKA-AOOOYVTPSA-N 1 0 297.330 2.495 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000595069918 345739448 /nfs/dbraw/zinc/73/94/48/345739448.db2.gz TVDXAZLKZLOOTJ-WDEREUQCSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918550 345701393 /nfs/dbraw/zinc/70/13/93/345701393.db2.gz BUJKHVRLNZTGBB-JSGCOSHPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594961571 345717865 /nfs/dbraw/zinc/71/78/65/345717865.db2.gz AGBOFBOQAMFWQJ-ZGLRSVDFSA-N 1 0 296.392 2.374 20 5 CEBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594966151 345719120 /nfs/dbraw/zinc/71/91/20/345719120.db2.gz NQKSHTQAVPYANM-RNZFLTOJSA-N 1 0 276.336 2.359 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982400 345721241 /nfs/dbraw/zinc/72/12/41/345721241.db2.gz DTMYRVKBOBIXQS-CYBMUJFWSA-N 1 0 294.351 2.102 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000595009269 345726351 /nfs/dbraw/zinc/72/63/51/345726351.db2.gz BHHUCHZXEVRANZ-WDEREUQCSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000595034353 345731439 /nfs/dbraw/zinc/73/14/39/345731439.db2.gz WPLVMIYXJGRCFM-CUOATXAZSA-N 1 0 294.351 2.413 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056638 345736201 /nfs/dbraw/zinc/73/62/01/345736201.db2.gz OTIOMJFOALQJFG-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@](C)([C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542417 345807838 /nfs/dbraw/zinc/80/78/38/345807838.db2.gz FKZKZHNOBJBYDS-TVQRCGJNSA-N 1 0 283.328 2.184 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390895 345772779 /nfs/dbraw/zinc/77/27/79/345772779.db2.gz ZPUXABXGNDAFKB-WDEREUQCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595439013 345782863 /nfs/dbraw/zinc/78/28/63/345782863.db2.gz VXOFUNLVCBTKQB-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO Cc1noc(CN2CCOCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595442814 345783930 /nfs/dbraw/zinc/78/39/30/345783930.db2.gz WKXNQJVMAYKSAD-UHFFFAOYSA-N 1 0 295.339 2.284 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CCO)CCCC1 ZINC000595508029 345799664 /nfs/dbraw/zinc/79/96/64/345799664.db2.gz DUTNCPJBMDRECL-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CCC(C)(C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595643839 345836207 /nfs/dbraw/zinc/83/62/07/345836207.db2.gz ZSNVYMZURWJFDH-NSHDSACASA-N 1 0 281.356 2.171 20 5 CEBDRO CCC(C)(C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595643836 345836433 /nfs/dbraw/zinc/83/64/33/345836433.db2.gz ZSNVYMZURWJFDH-LLVKDONJSA-N 1 0 281.356 2.171 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(F)c1 ZINC000595749105 345865590 /nfs/dbraw/zinc/86/55/90/345865590.db2.gz DNJOMHWCMPCCCY-OAHLLOKOSA-N 1 0 294.326 2.471 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759418 345869179 /nfs/dbraw/zinc/86/91/79/345869179.db2.gz PXNJZRSVSDHIDD-DZGCQCFKSA-N 1 0 276.336 2.372 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC3CC2(C)C3)c([N+](=O)[O-])c1 ZINC000595915877 345912878 /nfs/dbraw/zinc/91/28/78/345912878.db2.gz QCINALFMVOMEDO-UHFFFAOYSA-N 1 0 292.335 2.467 20 5 CEBDRO C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595926884 345914532 /nfs/dbraw/zinc/91/45/32/345914532.db2.gz KYLSQJXDCCFXMO-GXFFZTMASA-N 1 0 291.351 2.160 20 5 CEBDRO Cc1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000595951220 345917375 /nfs/dbraw/zinc/91/73/75/345917375.db2.gz OABXIVBTRCOCKM-CYBMUJFWSA-N 1 0 279.340 2.006 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595947641 345917417 /nfs/dbraw/zinc/91/74/17/345917417.db2.gz SZVLQTDUCNDSLF-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO CN(CCC[NH+](C)C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596186366 345964095 /nfs/dbraw/zinc/96/40/95/345964095.db2.gz UZZUKSNIKWFAMS-UHFFFAOYSA-N 1 0 272.736 2.031 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000596084609 345935965 /nfs/dbraw/zinc/93/59/65/345935965.db2.gz DCGNCCDCDYXZHC-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO O=c1[nH]ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000596209693 345970220 /nfs/dbraw/zinc/97/02/20/345970220.db2.gz BQKBDSSIHOUSJM-LLVKDONJSA-N 1 0 292.339 2.124 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596268756 345986357 /nfs/dbraw/zinc/98/63/57/345986357.db2.gz CDARGQLTXISSOS-SNVBAGLBSA-N 1 0 298.774 2.209 20 5 CEBDRO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000596423827 346020123 /nfs/dbraw/zinc/02/01/23/346020123.db2.gz CWKUNLRBHMNICM-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO Cc1nc(N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596489534 346037254 /nfs/dbraw/zinc/03/72/54/346037254.db2.gz WWZKIVIHTADYGG-LBPRGKRZSA-N 1 0 292.383 2.252 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652821 346072275 /nfs/dbraw/zinc/07/22/75/346072275.db2.gz IKFZRAZGWCENHN-QWRGUYRKSA-N 1 0 251.330 2.162 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597055258 346121656 /nfs/dbraw/zinc/12/16/56/346121656.db2.gz FHWDZTYISAVNLN-HIFRSBDPSA-N 1 0 276.336 2.294 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000597206442 346148366 /nfs/dbraw/zinc/14/83/66/346148366.db2.gz ROVGWAVEVCJLPK-RYUDHWBXSA-N 1 0 278.352 2.352 20 5 CEBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000598001002 346266222 /nfs/dbraw/zinc/26/62/22/346266222.db2.gz WWAYZQACCVVVST-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598043865 346274806 /nfs/dbraw/zinc/27/48/06/346274806.db2.gz WTNHKVWIZNGWSV-NSHDSACASA-N 1 0 297.380 2.213 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598342497 346331766 /nfs/dbraw/zinc/33/17/66/346331766.db2.gz NWYPFXQJADBLNF-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598651813 346393826 /nfs/dbraw/zinc/39/38/26/346393826.db2.gz WBACVSJAOQJARG-ZYHUDNBSSA-N 1 0 282.315 2.184 20 5 CEBDRO C/C=C\C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599005732 346445341 /nfs/dbraw/zinc/44/53/41/346445341.db2.gz QCQVQVWHFXMFDC-PLNGDYQASA-N 1 0 266.297 2.278 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916014 346433769 /nfs/dbraw/zinc/43/37/69/346433769.db2.gz SUSYJVWSVUNJFZ-IUCAKERBSA-N 1 0 296.302 2.077 20 5 CEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598915755 346433814 /nfs/dbraw/zinc/43/38/14/346433814.db2.gz NYLLDEPDOJVPID-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000599084727 346457874 /nfs/dbraw/zinc/45/78/74/346457874.db2.gz WGCVNTHYCVBQFR-JYAVWHMHSA-N 1 0 298.346 2.139 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602606425 347097542 /nfs/dbraw/zinc/09/75/42/347097542.db2.gz CUFHMKVYHDNYTP-NSHDSACASA-N 1 0 266.345 2.196 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000085637474 179110098 /nfs/dbraw/zinc/11/00/98/179110098.db2.gz WYEUGNKQPSCCLN-BNOWGMLFSA-N 1 0 276.336 2.498 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000599625576 346548158 /nfs/dbraw/zinc/54/81/58/346548158.db2.gz NGDPZSWSEDRSQO-UUIJZJDISA-N 1 0 294.351 2.375 20 5 CEBDRO C/C=C/C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690707 346568244 /nfs/dbraw/zinc/56/82/44/346568244.db2.gz PJZMUESAOFRQPD-YWVDXFKGSA-N 1 0 278.356 2.470 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600713110 346675818 /nfs/dbraw/zinc/67/58/18/346675818.db2.gz DZSOUMQJTHXQIS-NILFDRSVSA-N 1 0 289.379 2.256 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601115262 346757104 /nfs/dbraw/zinc/75/71/04/346757104.db2.gz DYXYTSDZGOJMCA-NSHDSACASA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000128452740 187371093 /nfs/dbraw/zinc/37/10/93/187371093.db2.gz RTZJLHOQOIYIEO-CMPLNLGQSA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H](O)C(F)F ZINC000601147536 346769119 /nfs/dbraw/zinc/76/91/19/346769119.db2.gz QWYQOUHJJUVJKH-OGOUPESXSA-N 1 0 286.278 2.214 20 5 CEBDRO C[NH+]1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100578 346752793 /nfs/dbraw/zinc/75/27/93/346752793.db2.gz NVSAKEHVMSHUDR-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO CC(C)c1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602672744 347135397 /nfs/dbraw/zinc/13/53/97/347135397.db2.gz HPGNTDVABIDWGR-UHFFFAOYSA-N 1 0 289.339 2.169 20 5 CEBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602673999 347136169 /nfs/dbraw/zinc/13/61/69/347136169.db2.gz BQHHGPQUFUQNIK-CYBMUJFWSA-N 1 0 291.307 2.251 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000602787589 347197828 /nfs/dbraw/zinc/19/78/28/347197828.db2.gz ZOUXSJVIQGRVGQ-OLZOCXBDSA-N 1 0 278.356 2.364 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000602810699 347209257 /nfs/dbraw/zinc/20/92/57/347209257.db2.gz HDZYLZAYIXPROT-LLVKDONJSA-N 1 0 296.371 2.035 20 5 CEBDRO CC[C@@](C)(C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733797 347177911 /nfs/dbraw/zinc/17/79/11/347177911.db2.gz WQUJTOLYWLBCSC-GJZGRUSLSA-N 1 0 296.367 2.207 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602761230 347187495 /nfs/dbraw/zinc/18/74/95/347187495.db2.gz DYAZTUORYWILIO-SNVBAGLBSA-N 1 0 254.334 2.220 20 5 CEBDRO Cn1cc(C[N@H+](C)C2(C)CCCC2)c([N+](=O)[O-])n1 ZINC000602821923 347213788 /nfs/dbraw/zinc/21/37/88/347213788.db2.gz PCFWNQWEDYUSHC-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO CCC(CC)[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834607 347218247 /nfs/dbraw/zinc/21/82/47/347218247.db2.gz USRFLTYDKWKSPA-UHFFFAOYSA-N 1 0 254.334 2.339 20 5 CEBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000602873432 347233456 /nfs/dbraw/zinc/23/34/56/347233456.db2.gz ONFCLYWQIIUGAF-CHWSQXEVSA-N 1 0 296.371 2.037 20 5 CEBDRO C[C@@](CO)([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602961477 347257614 /nfs/dbraw/zinc/25/76/14/347257614.db2.gz AIIYPVCYJXEVQD-ZDUSSCGKSA-N 1 0 270.304 2.142 20 5 CEBDRO CCC1([NH+](C)C)CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000602966639 347259462 /nfs/dbraw/zinc/25/94/62/347259462.db2.gz MMXOPRPWGVRKCW-UHFFFAOYSA-N 1 0 296.371 2.197 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+]C2CC2)nn1 ZINC000603186976 347303368 /nfs/dbraw/zinc/30/33/68/347303368.db2.gz YKASQKIFRZIATD-JTQLQIEISA-N 1 0 287.323 2.048 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1(C)C ZINC000603408019 347362194 /nfs/dbraw/zinc/36/21/94/347362194.db2.gz VWVPVLKXEFIAHB-MNOVXSKESA-N 1 0 282.319 2.270 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000603436884 347370176 /nfs/dbraw/zinc/37/01/76/347370176.db2.gz GRLHEVNRQKAWQH-DXTPNHAXSA-N 1 0 294.351 2.410 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609135536 347627381 /nfs/dbraw/zinc/62/73/81/347627381.db2.gz PPQPOJXGRMNPEB-JTQLQIEISA-N 1 0 297.380 2.259 20 5 CEBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609138413 347627571 /nfs/dbraw/zinc/62/75/71/347627571.db2.gz IVMDIKWXWXQIEB-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514955 347687984 /nfs/dbraw/zinc/68/79/84/347687984.db2.gz UXTHVNCXULPRQN-NSHDSACASA-N 1 0 298.412 2.094 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611082439 347737416 /nfs/dbraw/zinc/73/74/16/347737416.db2.gz HDHRDZNAZSNXRX-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108211 347739548 /nfs/dbraw/zinc/73/95/48/347739548.db2.gz GZKXVVJEPRETSV-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO CCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253870 347758948 /nfs/dbraw/zinc/75/89/48/347758948.db2.gz UFHDUXTTWCYRON-UHFFFAOYSA-N 1 0 266.297 2.208 20 5 CEBDRO C[NH+](C)CCSc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708447 347807552 /nfs/dbraw/zinc/80/75/52/347807552.db2.gz OHYJUJIAZCXZKJ-UHFFFAOYSA-N 1 0 278.337 2.192 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493468839 290827746 /nfs/dbraw/zinc/82/77/46/290827746.db2.gz ROCZJDVYEAUXQY-MDZDMXLPSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450348481 282565846 /nfs/dbraw/zinc/56/58/46/282565846.db2.gz KZFNAKUNJXMHJU-SNVBAGLBSA-N 1 0 281.360 2.081 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000339371771 215129654 /nfs/dbraw/zinc/12/96/54/215129654.db2.gz LKAFGYTWQBLEDF-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066124788 362852437 /nfs/dbraw/zinc/85/24/37/362852437.db2.gz QPWDOTHQFKYHKQ-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356736674 232915896 /nfs/dbraw/zinc/91/58/96/232915896.db2.gz GDUWGFSUTLMHAQ-VIFPVBQESA-N 1 0 299.396 2.423 20 5 CEBDRO CC[C@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009770 179378599 /nfs/dbraw/zinc/37/85/99/179378599.db2.gz HWLZHRRJSVWEBI-LBPRGKRZSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000616865542 348581316 /nfs/dbraw/zinc/58/13/16/348581316.db2.gz UZAQCLUJARCKQY-CYBMUJFWSA-N 1 0 268.288 2.393 20 5 CEBDRO CC[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000616865543 348581404 /nfs/dbraw/zinc/58/14/04/348581404.db2.gz UZAQCLUJARCKQY-ZDUSSCGKSA-N 1 0 268.288 2.393 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1C1CC1 ZINC000357518832 233086892 /nfs/dbraw/zinc/08/68/92/233086892.db2.gz AIGSXHWGAJNBOB-GXSJLCMTSA-N 1 0 262.313 2.027 20 5 CEBDRO C[C@@H]1COCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288427 348919991 /nfs/dbraw/zinc/91/99/91/348919991.db2.gz KYIWIIMKUYMUIP-SNVBAGLBSA-N 1 0 290.323 2.082 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339622948 215273275 /nfs/dbraw/zinc/27/32/75/215273275.db2.gz QVTMBKPBOGYVCV-TXEJJXNPSA-N 1 0 293.367 2.128 20 5 CEBDRO C[NH+](C)CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488099 192171479 /nfs/dbraw/zinc/17/14/79/192171479.db2.gz RYPFTWKZPBARDN-UHFFFAOYSA-N 1 0 298.318 2.197 20 5 CEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104528536 186008274 /nfs/dbraw/zinc/00/82/74/186008274.db2.gz KARNAOXNXDIULB-UHFFFAOYSA-N 1 0 293.367 2.255 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982702 233310180 /nfs/dbraw/zinc/31/01/80/233310180.db2.gz BOKSTGRSLAIVHC-NJZAAPMLSA-N 1 0 294.351 2.033 20 5 CEBDRO C[N@H+](CCc1cnccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000271298020 191058372 /nfs/dbraw/zinc/05/83/72/191058372.db2.gz DQKZOKCTTJKACF-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071891 233329686 /nfs/dbraw/zinc/32/96/86/233329686.db2.gz HAEHHVABVCVDIE-DGCLKSJQSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc(CN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000091669968 180223947 /nfs/dbraw/zinc/22/39/47/180223947.db2.gz MSIKWUOVPADQEX-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000493710055 290900151 /nfs/dbraw/zinc/90/01/51/290900151.db2.gz RTNHERNHZZZONK-CABCVRRESA-N 1 0 294.351 2.114 20 5 CEBDRO COc1ccc(C[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC000111014587 186343033 /nfs/dbraw/zinc/34/30/33/186343033.db2.gz PLJXIJALXRKGTB-UHFFFAOYSA-N 1 0 280.324 2.120 20 5 CEBDRO CN(C(=O)C[N@H+](C)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111298792 186393115 /nfs/dbraw/zinc/39/31/15/186393115.db2.gz LUMVCQRECNSQNB-UHFFFAOYSA-N 1 0 291.351 2.290 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074600 363027421 /nfs/dbraw/zinc/02/74/21/363027421.db2.gz MZMHJHAGFUJQLE-NWDGAFQWSA-N 1 0 293.367 2.163 20 5 CEBDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000070093374 363031571 /nfs/dbraw/zinc/03/15/71/363031571.db2.gz JRUCSUVHQKLTCG-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCO)CC1 ZINC000339826982 215354651 /nfs/dbraw/zinc/35/46/51/215354651.db2.gz MICKEDJYKQQTSA-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000070495825 363090938 /nfs/dbraw/zinc/09/09/38/363090938.db2.gz YNYIUPUMPCNHOX-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000122656742 187044647 /nfs/dbraw/zinc/04/46/47/187044647.db2.gz WWSUHCHUPPZPJT-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291904475 198101426 /nfs/dbraw/zinc/10/14/26/198101426.db2.gz QCUXEZMEKLTFDI-MRVPVSSYSA-N 1 0 272.736 2.253 20 5 CEBDRO CC(C)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487076357 290330557 /nfs/dbraw/zinc/33/05/57/290330557.db2.gz UTEBEGAKAGXHOD-AWEZNQCLSA-N 1 0 263.341 2.371 20 5 CEBDRO CCOc1cc(C[N@H+](C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000292067652 198150533 /nfs/dbraw/zinc/15/05/33/198150533.db2.gz DECPEENNKVBRGZ-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136166251 187868333 /nfs/dbraw/zinc/86/83/33/187868333.db2.gz GMMTWNLWFKGLKV-RISCZKNCSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148501287 187918116 /nfs/dbraw/zinc/91/81/16/187918116.db2.gz ODQJVMDZZIKWGM-MRVPVSSYSA-N 1 0 272.736 2.395 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569728438 299215415 /nfs/dbraw/zinc/21/54/15/299215415.db2.gz NGDUDZWQUPTCMV-NXEZZACHSA-N 1 0 279.340 2.013 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768192 363387670 /nfs/dbraw/zinc/38/76/70/363387670.db2.gz ACGNBRKUCAHPLI-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163653 540204052 /nfs/dbraw/zinc/20/40/52/540204052.db2.gz HKVXZAPTDQVDKP-MFKMUULPSA-N 1 0 291.351 2.362 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452007960 283159888 /nfs/dbraw/zinc/15/98/88/283159888.db2.gz OCXFAFCXWAYHFC-LLVKDONJSA-N 1 0 279.340 2.019 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000452037884 283166585 /nfs/dbraw/zinc/16/65/85/283166585.db2.gz LUDCAIGPLSTVDH-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575796465 366360338 /nfs/dbraw/zinc/36/03/38/366360338.db2.gz BPUZEGYALZCGRO-QWHCGFSZSA-N 1 0 296.367 2.359 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892649 366368979 /nfs/dbraw/zinc/36/89/79/366368979.db2.gz VLQUWNQIFWKINC-GHMZBOCLSA-N 1 0 291.351 2.221 20 5 CEBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294713175 199147538 /nfs/dbraw/zinc/14/75/38/199147538.db2.gz JRTRLEVTKDZLCN-WDEREUQCSA-N 1 0 281.356 2.236 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000135104161 366395762 /nfs/dbraw/zinc/39/57/62/366395762.db2.gz BGHIPURNSZPAAA-GFCCVEGCSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000135468440 366443983 /nfs/dbraw/zinc/44/39/83/366443983.db2.gz MQXBIYOUKNYPRW-MXWKQRLJSA-N 1 0 252.314 2.262 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465115 366444352 /nfs/dbraw/zinc/44/43/52/366444352.db2.gz HGQXBSHOIWBKND-ZWNOBZJWSA-N 1 0 252.314 2.262 20 5 CEBDRO C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000136335039 366509079 /nfs/dbraw/zinc/50/90/79/366509079.db2.gz ZXXPSWNZSXTOKM-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000417407964 237115705 /nfs/dbraw/zinc/11/57/05/237115705.db2.gz UALWJRGEKJMTKF-GYSYKLTISA-N 1 0 264.325 2.467 20 5 CEBDRO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000140456610 366560178 /nfs/dbraw/zinc/56/01/78/366560178.db2.gz HSGZGFTZLIILJC-LLVKDONJSA-N 1 0 274.280 2.199 20 5 CEBDRO CC[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000145468412 366572799 /nfs/dbraw/zinc/57/27/99/366572799.db2.gz ZBUKTHUYCDGWFT-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949674 366678641 /nfs/dbraw/zinc/67/86/41/366678641.db2.gz QJJLLQBSMPCADG-KOLCDFICSA-N 1 0 252.314 2.325 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(O)CCSC1 ZINC000176750636 189007800 /nfs/dbraw/zinc/00/78/00/189007800.db2.gz OFFKCRSCSKKNIH-LYKUJDHUSA-N 1 0 294.376 2.066 20 5 CEBDRO C[NH+](C)CCc1ccc(Nc2ccncc2[N+](=O)[O-])cc1 ZINC000341935945 216159252 /nfs/dbraw/zinc/15/92/52/216159252.db2.gz TZKMTWUAIPKFOH-UHFFFAOYSA-N 1 0 286.335 2.259 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CCCOC1 ZINC000178164776 189094632 /nfs/dbraw/zinc/09/46/32/189094632.db2.gz XFXCCUSERIFIDC-UHFFFAOYSA-N 1 0 278.308 2.040 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000179137075 189172143 /nfs/dbraw/zinc/17/21/43/189172143.db2.gz DJTUNAMJIVNUPV-ZDUSSCGKSA-N 1 0 292.335 2.431 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539693 189200708 /nfs/dbraw/zinc/20/07/08/189200708.db2.gz KJYDVUNCGFULKT-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631973 189208979 /nfs/dbraw/zinc/20/89/79/189208979.db2.gz ZMXGCZLHAXPUHH-HZRUHFOJSA-N 1 0 289.379 2.492 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000168721871 296029268 /nfs/dbraw/zinc/02/92/68/296029268.db2.gz GFEHAOBCYKLZAW-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO COC[C@@H](C)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579781578 366699972 /nfs/dbraw/zinc/69/99/72/366699972.db2.gz RJAUSWYKCUDALU-NSHDSACASA-N 1 0 280.324 2.072 20 5 CEBDRO COc1ccc(C[N@H+](CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000152534801 366701484 /nfs/dbraw/zinc/70/14/84/366701484.db2.gz IZYGKDWHQONZPC-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[C@H](NC(=O)[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000237031082 370680359 /nfs/dbraw/zinc/68/03/59/370680359.db2.gz DVEVNAPOTTXFAP-MFKMUULPSA-N 1 0 279.340 2.018 20 5 CEBDRO CCCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000183050369 189344442 /nfs/dbraw/zinc/34/44/42/189344442.db2.gz VQGJIZVNARQVTE-UHFFFAOYSA-N 1 0 293.367 2.115 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000183388821 189357353 /nfs/dbraw/zinc/35/73/53/189357353.db2.gz BZUJYKOPGDHADF-LBPRGKRZSA-N 1 0 264.325 2.372 20 5 CEBDRO C[C@H]([NH2+]CCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184020793 189374734 /nfs/dbraw/zinc/37/47/34/189374734.db2.gz DZDZEIBGZBMNMB-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089107580 363932170 /nfs/dbraw/zinc/93/21/70/363932170.db2.gz IBRSQJVJXIEWEX-QWHCGFSZSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000094371410 364271553 /nfs/dbraw/zinc/27/15/53/364271553.db2.gz VOYKYMSEIRQPND-UKRRQHHQSA-N 1 0 292.335 2.023 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774784 364295217 /nfs/dbraw/zinc/29/52/17/364295217.db2.gz LYBDJDALPLJMNE-UHFFFAOYSA-N 1 0 256.277 2.202 20 5 CEBDRO COc1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094802024 364296588 /nfs/dbraw/zinc/29/65/88/364296588.db2.gz YRRUOFNQRVXAJT-AWEZNQCLSA-N 1 0 280.324 2.262 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059665 299342853 /nfs/dbraw/zinc/34/28/53/299342853.db2.gz GSAUVIGSIRDOIK-BXUZGUMPSA-N 1 0 294.351 2.223 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](C(C)C)C(C)C ZINC000098084124 364530775 /nfs/dbraw/zinc/53/07/75/364530775.db2.gz XMQQYRXOKDYDJE-UHFFFAOYSA-N 1 0 254.334 2.219 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000103955922 364672148 /nfs/dbraw/zinc/67/21/48/364672148.db2.gz XKOISBSHHJWRRB-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000111831489 364764621 /nfs/dbraw/zinc/76/46/21/364764621.db2.gz RANYGQYMEFKOTI-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000112311525 364790669 /nfs/dbraw/zinc/79/06/69/364790669.db2.gz BXVFCRIEXILRJO-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CC1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000112701751 364830442 /nfs/dbraw/zinc/83/04/42/364830442.db2.gz LTHAUJLQNXXGPD-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793721 364844989 /nfs/dbraw/zinc/84/49/89/364844989.db2.gz NLQOKHYBXLKJCI-ZYHUDNBSSA-N 1 0 250.298 2.424 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000115516349 365011025 /nfs/dbraw/zinc/01/10/25/365011025.db2.gz BMUKIRXOCMVYHK-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275460253 193046162 /nfs/dbraw/zinc/04/61/62/193046162.db2.gz NEXXKYIOIUNBMK-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159145213 366882256 /nfs/dbraw/zinc/88/22/56/366882256.db2.gz WOUVFFIMEHGNPW-CQSZACIVSA-N 1 0 293.367 2.161 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000159162156 366883175 /nfs/dbraw/zinc/88/31/75/366883175.db2.gz HQTJTRHZFMUHMU-AWEZNQCLSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@H]1C ZINC000159197568 366888180 /nfs/dbraw/zinc/88/81/80/366888180.db2.gz AHAUPRFDQWNRIJ-NXEZZACHSA-N 1 0 250.298 2.349 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000159197828 366888520 /nfs/dbraw/zinc/88/85/20/366888520.db2.gz AHAUPRFDQWNRIJ-ZJUUUORDSA-N 1 0 250.298 2.349 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000159262823 366894366 /nfs/dbraw/zinc/89/43/66/366894366.db2.gz NRTVSRKCMZMMFS-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275874878 193153072 /nfs/dbraw/zinc/15/30/72/193153072.db2.gz OFMFDDXTGDBCKP-MQMHXKEQSA-N 1 0 264.325 2.330 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159725469 366943250 /nfs/dbraw/zinc/94/32/50/366943250.db2.gz GKKOPRFWIQIWBK-GFCCVEGCSA-N 1 0 279.340 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000584035502 367133308 /nfs/dbraw/zinc/13/33/08/367133308.db2.gz DWPJVEYQVWRZST-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1nc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161539497 367095818 /nfs/dbraw/zinc/09/58/18/367095818.db2.gz KNQJTBTVUFOULV-VIFPVBQESA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000162560301 367168941 /nfs/dbraw/zinc/16/89/41/367168941.db2.gz XLPJTMMYPKYGRB-UHFFFAOYSA-N 1 0 294.355 2.319 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000590570389 367197973 /nfs/dbraw/zinc/19/79/73/367197973.db2.gz YIDADCVSADGLFU-WPRPVWTQSA-N 1 0 284.747 2.172 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000341209163 367223105 /nfs/dbraw/zinc/22/31/05/367223105.db2.gz COPFJIVNVBXZOK-UHFFFAOYSA-N 1 0 268.288 2.393 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163248086 367226977 /nfs/dbraw/zinc/22/69/77/367226977.db2.gz GMRXVFCFTLXYLT-JQWIXIFHSA-N 1 0 250.298 2.109 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275931161 193165875 /nfs/dbraw/zinc/16/58/75/193165875.db2.gz XGEJDQPWZIJMAA-UHFFFAOYSA-N 1 0 293.367 2.352 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051545 370886677 /nfs/dbraw/zinc/88/66/77/370886677.db2.gz WODRHCBQGHGGDG-VHDGCEQUSA-N 1 0 294.351 2.033 20 5 CEBDRO CC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798197 367945494 /nfs/dbraw/zinc/94/54/94/367945494.db2.gz UZIHCCWORANZAD-UHFFFAOYSA-N 1 0 292.335 2.417 20 5 CEBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000572581851 299380840 /nfs/dbraw/zinc/38/08/40/299380840.db2.gz DOJIZTVXGYLQRM-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(F)c1 ZINC000174816107 368070120 /nfs/dbraw/zinc/07/01/20/368070120.db2.gz KTWDJSXUVCYLEH-UHFFFAOYSA-N 1 0 296.277 2.202 20 5 CEBDRO CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000345349750 368244518 /nfs/dbraw/zinc/24/45/18/368244518.db2.gz QITIJFUXHLMMHO-CHWSQXEVSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137922 296120173 /nfs/dbraw/zinc/12/01/73/296120173.db2.gz BUXZJKXHMGEPEO-DGIBIBHMSA-N 1 0 282.365 2.157 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000183284187 368620898 /nfs/dbraw/zinc/62/08/98/368620898.db2.gz JATBFGUDBAXONN-UHFFFAOYSA-N 1 0 289.379 2.431 20 5 CEBDRO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000330601693 203024566 /nfs/dbraw/zinc/02/45/66/203024566.db2.gz GREADZBMHDCLAB-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000330597284 203018578 /nfs/dbraw/zinc/01/85/78/203018578.db2.gz CSCBAHOVIQYJBC-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681206 368767622 /nfs/dbraw/zinc/76/76/22/368767622.db2.gz OOZIJMBPJGEXBO-YPMHNXCESA-N 1 0 263.341 2.072 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346692063 368774597 /nfs/dbraw/zinc/77/45/97/368774597.db2.gz XNQVOHIPMJHTLK-WCQYABFASA-N 1 0 292.335 2.287 20 5 CEBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678381 368842210 /nfs/dbraw/zinc/84/22/10/368842210.db2.gz SHXZWVQWSUDYRK-GWCFXTLKSA-N 1 0 291.351 2.314 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000348273089 368979213 /nfs/dbraw/zinc/97/92/13/368979213.db2.gz SDOGGOKQCLHAII-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1nc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348346892 369011332 /nfs/dbraw/zinc/01/13/32/369011332.db2.gz CSZOOLVCRACCRU-RYUDHWBXSA-N 1 0 292.383 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(Cl)c1 ZINC000188847255 369418198 /nfs/dbraw/zinc/41/81/98/369418198.db2.gz ROQKPGDXDRDZKC-CABZTGNLSA-N 1 0 284.743 2.499 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000189338584 369499759 /nfs/dbraw/zinc/49/97/59/369499759.db2.gz GXNASLBRVIPJJQ-KGLIPLIRSA-N 1 0 294.351 2.243 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246548653 370975749 /nfs/dbraw/zinc/97/57/49/370975749.db2.gz AWWKIFBNYAVXSZ-ZIAGYGMSSA-N 1 0 294.376 2.301 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000189291207 369489642 /nfs/dbraw/zinc/48/96/42/369489642.db2.gz AUSUKQGCQDDFIA-WDMOLILDSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189631139 369549389 /nfs/dbraw/zinc/54/93/89/369549389.db2.gz WRDKQQGRGCXUCW-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)[nH]1 ZINC000351071959 369599344 /nfs/dbraw/zinc/59/93/44/369599344.db2.gz GZDLTKCIQQSOTK-UHFFFAOYSA-N 1 0 296.246 2.288 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276406885 193318160 /nfs/dbraw/zinc/31/81/60/193318160.db2.gz REBLRKZIAUULGS-UHFFFAOYSA-N 1 0 293.367 2.399 20 5 CEBDRO C[C@H]([NH2+]CCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000276514882 193364575 /nfs/dbraw/zinc/36/45/75/193364575.db2.gz BHVSESOASJGIMV-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CN(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522038 193365907 /nfs/dbraw/zinc/36/59/07/193365907.db2.gz VJUINYMANZLHBX-UKRRQHHQSA-N 1 0 291.395 2.457 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386472 369935532 /nfs/dbraw/zinc/93/55/32/369935532.db2.gz CJRJGKWFDXQESM-LLVKDONJSA-N 1 0 278.356 2.463 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193390175 369937118 /nfs/dbraw/zinc/93/71/18/369937118.db2.gz IOGODYPCLYXTPT-UHFFFAOYSA-N 1 0 290.367 2.463 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000226771481 370352159 /nfs/dbraw/zinc/35/21/59/370352159.db2.gz VZSNNWJAUVNOMI-IUCAKERBSA-N 1 0 268.342 2.090 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH2+]C1 ZINC000226436054 370342622 /nfs/dbraw/zinc/34/26/22/370342622.db2.gz DVZSODCHTPEMQH-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226530044 370345097 /nfs/dbraw/zinc/34/50/97/370345097.db2.gz ZEBHBVFKNSJIGW-OLZOCXBDSA-N 1 0 276.340 2.337 20 5 CEBDRO CO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230236428 370447546 /nfs/dbraw/zinc/44/75/46/370447546.db2.gz VFKYTMWMHGUDMK-NSHDSACASA-N 1 0 268.288 2.345 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230670636 370463275 /nfs/dbraw/zinc/46/32/75/370463275.db2.gz LQEWPFVHRHCYAR-YPMHNXCESA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231078716 370475449 /nfs/dbraw/zinc/47/54/49/370475449.db2.gz ZBGGNEIARMNJAM-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO C[NH+](C)CCOCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231677209 370486632 /nfs/dbraw/zinc/48/66/32/370486632.db2.gz FTBXSOCVRBLDDX-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235679259 370573226 /nfs/dbraw/zinc/57/32/26/370573226.db2.gz BLGXUQAPWMMNJI-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(=O)N1CC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000572984900 299418163 /nfs/dbraw/zinc/41/81/63/299418163.db2.gz RHOPLZHWFYBMCX-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303214 371003419 /nfs/dbraw/zinc/00/34/19/371003419.db2.gz AVDANHJGBWNWBP-NHYWBVRUSA-N 1 0 289.379 2.476 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602353 296164405 /nfs/dbraw/zinc/16/44/05/296164405.db2.gz VRTHLVWJKIQDII-RNCFNFMXSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000248408323 371188534 /nfs/dbraw/zinc/18/85/34/371188534.db2.gz CBEWBRIBORMOQA-XBFCOCLRSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000248344031 371176708 /nfs/dbraw/zinc/17/67/08/371176708.db2.gz LBFRXXLXZXVGDH-SWLSCSKDSA-N 1 0 286.335 2.484 20 5 CEBDRO COc1ccc(CNc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000358957997 371281427 /nfs/dbraw/zinc/28/14/27/371281427.db2.gz XVRNVQCOPJZTLS-UHFFFAOYSA-N 1 0 273.292 2.341 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000251700002 371413412 /nfs/dbraw/zinc/41/34/12/371413412.db2.gz JXAAQUNQBBJDHT-IAQYHMDHSA-N 1 0 294.351 2.460 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C(C)C ZINC000359815952 371489773 /nfs/dbraw/zinc/48/97/73/371489773.db2.gz VLPGLBVFPRPWSR-AWEZNQCLSA-N 1 0 296.367 2.489 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252549760 371455188 /nfs/dbraw/zinc/45/51/88/371455188.db2.gz OALLJNCCYINZJG-QWRGUYRKSA-N 1 0 295.314 2.009 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000237090396 189863182 /nfs/dbraw/zinc/86/31/82/189863182.db2.gz VLWHDFITZKHEET-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261575326 371657151 /nfs/dbraw/zinc/65/71/51/371657151.db2.gz BLURZDQVJOZHID-FZMZJTMJSA-N 1 0 263.341 2.327 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261726039 371712656 /nfs/dbraw/zinc/71/26/56/371712656.db2.gz KSOBUJSIVDNABA-BZPMIXESSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652619 371692703 /nfs/dbraw/zinc/69/27/03/371692703.db2.gz DKAGYBLNIIGIJN-ZYHUDNBSSA-N 1 0 281.331 2.151 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000261695488 371703614 /nfs/dbraw/zinc/70/36/14/371703614.db2.gz BFSAJYLDCXAWRC-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000361352871 371800299 /nfs/dbraw/zinc/80/02/99/371800299.db2.gz RLBCSHVSNAUDFK-AWEZNQCLSA-N 1 0 290.363 2.421 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CC2CC2)CC2CCC2)n1 ZINC000361571753 371936079 /nfs/dbraw/zinc/93/60/79/371936079.db2.gz OIMGSPGQMKEBMW-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCOC1 ZINC000361590759 371959363 /nfs/dbraw/zinc/95/93/63/371959363.db2.gz JXTKFISFHMAUGX-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268482679 372114826 /nfs/dbraw/zinc/11/48/26/372114826.db2.gz LUMNJQDJOQKOTL-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000362021448 372175279 /nfs/dbraw/zinc/17/52/79/372175279.db2.gz ZBNQMKOLADELEF-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000268815340 372237693 /nfs/dbraw/zinc/23/76/93/372237693.db2.gz IHYWTKCJKWQZSW-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C)CC1 ZINC000269265233 372399477 /nfs/dbraw/zinc/39/94/77/372399477.db2.gz BOZXTUPXZCEVJM-UHFFFAOYSA-N 1 0 279.340 2.247 20 5 CEBDRO CC(C)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678836 372530806 /nfs/dbraw/zinc/53/08/06/372530806.db2.gz XFMCBXODDJCTAO-ZDUSSCGKSA-N 1 0 252.314 2.216 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000269772581 372561925 /nfs/dbraw/zinc/56/19/25/372561925.db2.gz BUXYFWJEBBYTCU-STQMWFEESA-N 1 0 294.351 2.209 20 5 CEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344456471 217196487 /nfs/dbraw/zinc/19/64/87/217196487.db2.gz PSDHFGKUYOTEJS-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000270220012 372707061 /nfs/dbraw/zinc/70/70/61/372707061.db2.gz YYRKVCQYDWVDIP-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000365370531 372838812 /nfs/dbraw/zinc/83/88/12/372838812.db2.gz CRSHGPBQHLEGAE-NNQSOWQGSA-N 1 0 276.336 2.188 20 5 CEBDRO CCC1(CC)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270592072 372858279 /nfs/dbraw/zinc/85/82/79/372858279.db2.gz TXQLSLGDUFLLKH-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CO ZINC000344818127 217320669 /nfs/dbraw/zinc/32/06/69/217320669.db2.gz FDIARWOKQMPAFA-IGEMTJHASA-N 1 0 264.325 2.216 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870149 217339713 /nfs/dbraw/zinc/33/97/13/217339713.db2.gz XKOMUUJAWMJKRA-NXIHDVOMSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272273779 373401797 /nfs/dbraw/zinc/40/17/97/373401797.db2.gz NXJZJKRXNCJLNS-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(F)F ZINC000344991287 217380111 /nfs/dbraw/zinc/38/01/11/217380111.db2.gz XVENICPSSAQNBC-LRAPTIAOSA-N 1 0 286.278 2.214 20 5 CEBDRO CCS[C@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370046814 373565120 /nfs/dbraw/zinc/56/51/20/373565120.db2.gz TYSVIZQRBHEPIA-NSHDSACASA-N 1 0 298.412 2.436 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272954269 373730502 /nfs/dbraw/zinc/73/05/02/373730502.db2.gz QLNFQRWEVPGHOU-OLZOCXBDSA-N 1 0 296.367 2.455 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cncnc1 ZINC000289545742 197397618 /nfs/dbraw/zinc/39/76/18/197397618.db2.gz QSZBHBUOFZVYFW-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442887 373882108 /nfs/dbraw/zinc/88/21/08/373882108.db2.gz MBECCLBUPFSTSY-LLVKDONJSA-N 1 0 278.356 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372365632 374107035 /nfs/dbraw/zinc/10/70/35/374107035.db2.gz JEPJHZKQZQFESY-LYKUJDHUSA-N 1 0 299.334 2.147 20 5 CEBDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000276853021 374324698 /nfs/dbraw/zinc/32/46/98/374324698.db2.gz AAYWBHQMZZEXMY-UHFFFAOYSA-N 1 0 285.303 2.254 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc([N+](=O)[O-])c1 ZINC000373928758 374449673 /nfs/dbraw/zinc/44/96/73/374449673.db2.gz HKSHOVGTYGOABU-GHMZBOCLSA-N 1 0 295.364 2.013 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000277260627 374455779 /nfs/dbraw/zinc/45/57/79/374455779.db2.gz LIBHGBHOMVSMRY-NSHDSACASA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375044155 374641121 /nfs/dbraw/zinc/64/11/21/374641121.db2.gz XYKVZYYKXBRJAL-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278889342 374838373 /nfs/dbraw/zinc/83/83/73/374838373.db2.gz XEBAIUZJTWAINV-OSAQELSMSA-N 1 0 294.351 2.439 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000377767041 374946485 /nfs/dbraw/zinc/94/64/85/374946485.db2.gz DEYDSLPBCROWQH-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000279972241 375049772 /nfs/dbraw/zinc/04/97/72/375049772.db2.gz PVYJBMNWAZVDNR-UHFFFAOYSA-N 1 0 280.324 2.274 20 5 CEBDRO Cc1c(CN(C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000385483803 375234663 /nfs/dbraw/zinc/23/46/63/375234663.db2.gz OJHQFKBWIYKWTK-UHFFFAOYSA-N 1 0 263.341 2.216 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385858002 375245976 /nfs/dbraw/zinc/24/59/76/375245976.db2.gz YYWYMAVNIBPZCA-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000384669826 375213785 /nfs/dbraw/zinc/21/37/85/375213785.db2.gz XSBAOQXRHHAFCJ-JTNHKYCSSA-N 1 0 280.324 2.129 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000408029913 375396632 /nfs/dbraw/zinc/39/66/32/375396632.db2.gz WFODJRYFGGSTAL-QWRGUYRKSA-N 1 0 295.364 2.013 20 5 CEBDRO COC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282361166 375465505 /nfs/dbraw/zinc/46/55/05/375465505.db2.gz DHOPHQZTECDRFO-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863637 375773283 /nfs/dbraw/zinc/77/32/83/375773283.db2.gz BPTNZEIWEUAQRH-MWLCHTKSSA-N 1 0 267.329 2.253 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995708 375793415 /nfs/dbraw/zinc/79/34/15/375793415.db2.gz HOJOBAKNBKXYAN-HZMBPMFUSA-N 1 0 281.356 2.499 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284062831 375804357 /nfs/dbraw/zinc/80/43/57/375804357.db2.gz KEADIBOCUZJCBJ-LBPRGKRZSA-N 1 0 295.295 2.018 20 5 CEBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162575 375820200 /nfs/dbraw/zinc/82/02/00/375820200.db2.gz PWWSYMJRWZXFDH-IMSIIYSGSA-N 1 0 281.356 2.235 20 5 CEBDRO COC[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286253068 375887109 /nfs/dbraw/zinc/88/71/09/375887109.db2.gz CZUIWXLXCHYWOU-VIFPVBQESA-N 1 0 286.278 2.341 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000414651982 375900547 /nfs/dbraw/zinc/90/05/47/375900547.db2.gz CNLZKAVLQWXEOG-ZYHUDNBSSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000414651981 375901389 /nfs/dbraw/zinc/90/13/89/375901389.db2.gz CNLZKAVLQWXEOG-PWSUYJOCSA-N 1 0 292.339 2.104 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414694810 375921950 /nfs/dbraw/zinc/92/19/50/375921950.db2.gz GAJIAKVKWHCKRR-SECBINFHSA-N 1 0 280.328 2.023 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414795135 375978677 /nfs/dbraw/zinc/97/86/77/375978677.db2.gz MQLIFDHMICEBNZ-VGVVRCBHSA-N 1 0 263.341 2.181 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414701022 375928190 /nfs/dbraw/zinc/92/81/90/375928190.db2.gz KOXLDUSNIZWYDV-MNOVXSKESA-N 1 0 292.339 2.295 20 5 CEBDRO [NH3+][C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346093085 217800476 /nfs/dbraw/zinc/80/04/76/217800476.db2.gz MOLDNVCEIKLYLB-RJNRQISESA-N 1 0 261.325 2.031 20 5 CEBDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287366819 376217071 /nfs/dbraw/zinc/21/70/71/376217071.db2.gz HNXJOVYGUCVCTM-LBPRGKRZSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305764585 376478775 /nfs/dbraw/zinc/47/87/75/376478775.db2.gz ZKCVGYAFCCUPPJ-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289720359 376462514 /nfs/dbraw/zinc/46/25/14/376462514.db2.gz URKNVXUYEJEBNT-NWDGAFQWSA-N 1 0 277.324 2.230 20 5 CEBDRO CCC[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000305737060 376464794 /nfs/dbraw/zinc/46/47/94/376464794.db2.gz UPXIEQJJMVWYPK-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289772046 376493082 /nfs/dbraw/zinc/49/30/82/376493082.db2.gz XQWGKIFBDMYOGJ-JSGCOSHPSA-N 1 0 291.351 2.476 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000311015831 376649372 /nfs/dbraw/zinc/64/93/72/376649372.db2.gz BENDKLINOKIUBJ-JTQLQIEISA-N 1 0 252.318 2.130 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000290152210 376662574 /nfs/dbraw/zinc/66/25/74/376662574.db2.gz IZTUXHBUVUPERG-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000311325439 376664745 /nfs/dbraw/zinc/66/47/45/376664745.db2.gz BLKCMFYEXVIEOW-DGCLKSJQSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017033 376931957 /nfs/dbraw/zinc/93/19/57/376931957.db2.gz NUJQJKYBSOASLB-WZRBSPASSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291011645 377030199 /nfs/dbraw/zinc/03/01/99/377030199.db2.gz BBYMJZIXEUMIKY-NSHDSACASA-N 1 0 252.314 2.452 20 5 CEBDRO C[NH+](C)CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330489103 377154960 /nfs/dbraw/zinc/15/49/60/377154960.db2.gz KBDGKSOWPVIQMQ-UHFFFAOYSA-N 1 0 293.367 2.074 20 5 CEBDRO CC(C)C[C@@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259206 377179567 /nfs/dbraw/zinc/17/95/67/377179567.db2.gz DGBQQJQCUWKQBD-JSGCOSHPSA-N 1 0 279.384 2.489 20 5 CEBDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267936 377187124 /nfs/dbraw/zinc/18/71/24/377187124.db2.gz UFJGDFSZPGDNLM-MFKMUULPSA-N 1 0 251.330 2.229 20 5 CEBDRO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331132012 377295314 /nfs/dbraw/zinc/29/53/14/377295314.db2.gz JKGLYEMPESBVJK-AWEZNQCLSA-N 1 0 291.351 2.007 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000292965672 377372345 /nfs/dbraw/zinc/37/23/45/377372345.db2.gz DGEZPFLJVJPQOD-LBPRGKRZSA-N 1 0 290.367 2.099 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000564326176 377375626 /nfs/dbraw/zinc/37/56/26/377375626.db2.gz GOQQAWWPYJKDED-QWRGUYRKSA-N 1 0 264.329 2.093 20 5 CEBDRO CC[C@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000425917190 377388559 /nfs/dbraw/zinc/38/85/59/377388559.db2.gz JWZIHPTXWIQYHL-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1F ZINC000293129746 377439974 /nfs/dbraw/zinc/43/99/74/377439974.db2.gz MTBMMVCCOVQMAH-NSHDSACASA-N 1 0 268.288 2.081 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(O)CCC1 ZINC000283827746 249359490 /nfs/dbraw/zinc/35/94/90/249359490.db2.gz DWBYVOGMUKCBAB-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000565241965 377621343 /nfs/dbraw/zinc/62/13/43/377621343.db2.gz AWFWAOVVQWHPCL-YABSGUDNSA-N 1 0 262.309 2.492 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCCCF)CC2 ZINC000332674616 377662986 /nfs/dbraw/zinc/66/29/86/377662986.db2.gz JVQMYZLXDZDUHS-UHFFFAOYSA-N 1 0 267.304 2.488 20 5 CEBDRO C[C@H](NCCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735153 377730016 /nfs/dbraw/zinc/73/00/16/377730016.db2.gz NDKAQDLKNUHHSV-LBPRGKRZSA-N 1 0 292.383 2.314 20 5 CEBDRO C[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294091862 377901279 /nfs/dbraw/zinc/90/12/79/377901279.db2.gz LVAKSFXEZBSTNM-MRVPVSSYSA-N 1 0 292.257 2.426 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000265975292 190219855 /nfs/dbraw/zinc/21/98/55/190219855.db2.gz LSALSJYFABWTFJ-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447577942 378119405 /nfs/dbraw/zinc/11/94/05/378119405.db2.gz CERHXLQLSPDGPX-AVGNSLFASA-N 1 0 296.371 2.026 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000295440822 378158986 /nfs/dbraw/zinc/15/89/86/378158986.db2.gz PLJNXJORKPJCHU-GYSYKLTISA-N 1 0 264.325 2.293 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266060037 190227027 /nfs/dbraw/zinc/22/70/27/190227027.db2.gz CFMJUOWWEOUAAY-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000295913038 378353034 /nfs/dbraw/zinc/35/30/34/378353034.db2.gz JIEBKJBBFXCHCU-JLLWLGSASA-N 1 0 250.298 2.077 20 5 CEBDRO Cc1nc(NCC2([NH+](C)C)CCCCC2)ncc1[N+](=O)[O-] ZINC000296625854 378596118 /nfs/dbraw/zinc/59/61/18/378596118.db2.gz VJNLUDGJKINRRA-UHFFFAOYSA-N 1 0 293.371 2.370 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000266184774 190238072 /nfs/dbraw/zinc/23/80/72/190238072.db2.gz WOLCEANBHOKRHX-AWEZNQCLSA-N 1 0 276.292 2.185 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000346825142 218024948 /nfs/dbraw/zinc/02/49/48/218024948.db2.gz LHLXCNJKEQMVGM-OAHLLOKOSA-N 1 0 277.368 2.477 20 5 CEBDRO CON1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000453610751 378919971 /nfs/dbraw/zinc/91/99/71/378919971.db2.gz YOMQLOPELOCNNK-UHFFFAOYSA-N 1 0 279.340 2.052 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571819 194050305 /nfs/dbraw/zinc/05/03/05/194050305.db2.gz CBNKHILEJCJQLM-GXTWGEPZSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347160131 218140958 /nfs/dbraw/zinc/14/09/58/218140958.db2.gz GRVZXKIVDCKQIE-OAHLLOKOSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000278692994 194107016 /nfs/dbraw/zinc/10/70/16/194107016.db2.gz GXUQGUZXDSWLLF-SLEUVZQESA-N 1 0 294.351 2.094 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000301192807 379215026 /nfs/dbraw/zinc/21/50/26/379215026.db2.gz SNCSGSUAHPMKQF-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000266538216 190265555 /nfs/dbraw/zinc/26/55/55/190265555.db2.gz PAIYHIYTJGIKQD-CHWSQXEVSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H](C[S@](C)=O)[N@H+](C)[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428323 379468656 /nfs/dbraw/zinc/46/86/56/379468656.db2.gz QPSNBPVBEWHYGX-MZJFNTNISA-N 1 0 296.392 2.281 20 5 CEBDRO COc1cc(C[NH2+]CCOC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000521834134 379543498 /nfs/dbraw/zinc/54/34/98/379543498.db2.gz QXAPKEOHNAMYSO-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000522316543 379569707 /nfs/dbraw/zinc/56/97/07/379569707.db2.gz JTGDNEJWCGXQHP-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000267098892 190303173 /nfs/dbraw/zinc/30/31/73/190303173.db2.gz SWLIMDHLVUARGC-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000305151760 379663227 /nfs/dbraw/zinc/66/32/27/379663227.db2.gz AJNFTYQFYBNPLU-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000267250873 190315429 /nfs/dbraw/zinc/31/54/29/190315429.db2.gz IJPVAPJLGGJJKY-MNOVXSKESA-N 1 0 264.329 2.275 20 5 CEBDRO CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000267280760 190317894 /nfs/dbraw/zinc/31/78/94/190317894.db2.gz KSYYHVOUANBWAC-UONOGXRCSA-N 1 0 291.351 2.256 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@@H]1O ZINC000305294332 379703010 /nfs/dbraw/zinc/70/30/10/379703010.db2.gz GBLFCDKHRGRLGU-FZMZJTMJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[N@H+](CCC(C)(C)O)Cc1ccccc1[N+](=O)[O-] ZINC000267362512 190324055 /nfs/dbraw/zinc/32/40/55/190324055.db2.gz CUJYZDQJYZZLOB-UHFFFAOYSA-N 1 0 252.314 2.188 20 5 CEBDRO C[C@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000267743674 190351726 /nfs/dbraw/zinc/35/17/26/190351726.db2.gz COVMVLAAMIXJHB-RYUDHWBXSA-N 1 0 291.351 2.145 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000347914949 218398871 /nfs/dbraw/zinc/39/88/71/218398871.db2.gz OERQLBGSNSQWPO-GFCCVEGCSA-N 1 0 291.351 2.197 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490764176 380260724 /nfs/dbraw/zinc/26/07/24/380260724.db2.gz QFFFGKAHLNGZGC-KTKRTIGZSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334042574 380220550 /nfs/dbraw/zinc/22/05/50/380220550.db2.gz SXTZBGWZPFWVCD-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279086343 194279083 /nfs/dbraw/zinc/27/90/83/194279083.db2.gz ORUOTVPOCZMUMS-HIFRSBDPSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424784 380515112 /nfs/dbraw/zinc/51/51/12/380515112.db2.gz TXKSWMLEJKVCPG-PHIMTYICSA-N 1 0 250.298 2.456 20 5 CEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000547942680 380477016 /nfs/dbraw/zinc/47/70/16/380477016.db2.gz GJQJJYOHGUAERC-NSHDSACASA-N 1 0 293.367 2.378 20 5 CEBDRO COc1cc(NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000111046301 533025166 /nfs/dbraw/zinc/02/51/66/533025166.db2.gz SUVMEUBPJYBFDO-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000289420511 197339385 /nfs/dbraw/zinc/33/93/85/197339385.db2.gz BHYVJMGNPXLEMP-CYBMUJFWSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000262586324 285130841 /nfs/dbraw/zinc/13/08/41/285130841.db2.gz ZUKJFXFRBUXURJ-RYUDHWBXSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C2CCC2)CC1 ZINC000172069038 285162751 /nfs/dbraw/zinc/16/27/51/285162751.db2.gz AZDMSMTWGFSQIX-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000294825791 285162362 /nfs/dbraw/zinc/16/23/62/285162362.db2.gz KZGXDAIJCKPBCZ-RZFFKMDDSA-N 1 0 290.363 2.419 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000192538732 285173244 /nfs/dbraw/zinc/17/32/44/285173244.db2.gz HWXURGKXFRVCEO-SNVBAGLBSA-N 1 0 282.369 2.116 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000375600779 285181027 /nfs/dbraw/zinc/18/10/27/285181027.db2.gz VUZJHBBKJVQPEC-SECBINFHSA-N 1 0 282.369 2.480 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546601 260039693 /nfs/dbraw/zinc/03/96/93/260039693.db2.gz XHFGXJIUASEQQR-FRRDWIJNSA-N 1 0 296.371 2.026 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093983202 184748165 /nfs/dbraw/zinc/74/81/65/184748165.db2.gz RBRKXIOHSOEUJJ-STQMWFEESA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc(C[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000190899457 130159622 /nfs/dbraw/zinc/15/96/22/130159622.db2.gz HEBZWUNTZNDIQP-UHFFFAOYSA-N 1 0 274.267 2.275 20 5 CEBDRO CO[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191138887 130187819 /nfs/dbraw/zinc/18/78/19/130187819.db2.gz HTTKEIWHAXDWHC-ZRQQLDRUSA-N 1 0 250.298 2.233 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191995301 130345888 /nfs/dbraw/zinc/34/58/88/130345888.db2.gz YTFBXBILUZNPDL-RKDXNWHRSA-N 1 0 299.758 2.190 20 5 CEBDRO Cc1ccnc(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000227306701 130840226 /nfs/dbraw/zinc/84/02/26/130840226.db2.gz APYDSBRNIGUGPT-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235721642 130953471 /nfs/dbraw/zinc/95/34/71/130953471.db2.gz BLGXUQAPWMMNJI-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000236921424 130987047 /nfs/dbraw/zinc/98/70/47/130987047.db2.gz DVEVNAPOTTXFAP-GXFFZTMASA-N 1 0 279.340 2.018 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000261723116 131164136 /nfs/dbraw/zinc/16/41/36/131164136.db2.gz QGYFNUQKRGUYBG-MISXGVKJSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000261748696 131166133 /nfs/dbraw/zinc/16/61/33/131166133.db2.gz SYEJBHZOBHUZMO-DRCTWCGVSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261996019 131181901 /nfs/dbraw/zinc/18/19/01/131181901.db2.gz SLUBJKFBQAYWBO-CMPLNLGQSA-N 1 0 277.324 2.359 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301418182 394460492 /nfs/dbraw/zinc/46/04/92/394460492.db2.gz BFUXRIUSKKLJSQ-AWEZNQCLSA-N 1 0 273.336 2.354 20 5 CEBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421372619 394514896 /nfs/dbraw/zinc/51/48/96/394514896.db2.gz LBVQPWKZKWDEKD-UDGJJRABSA-N 1 0 276.336 2.453 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000037138379 394495950 /nfs/dbraw/zinc/49/59/50/394495950.db2.gz NCZRMAVOOIPYIY-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413198996 394502990 /nfs/dbraw/zinc/50/29/90/394502990.db2.gz HKCBXVVDRZMEKB-UHFFFAOYSA-N 1 0 292.261 2.419 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228661 394503387 /nfs/dbraw/zinc/50/33/87/394503387.db2.gz QFDAKJGXFWBRSI-MNOVXSKESA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000413233318 394508788 /nfs/dbraw/zinc/50/87/88/394508788.db2.gz DATIEVPLXRBGEW-LDYMZIIASA-N 1 0 268.292 2.024 20 5 CEBDRO CON1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421412497 394527786 /nfs/dbraw/zinc/52/77/86/394527786.db2.gz SUCKFPHFLRLNLW-GFCCVEGCSA-N 1 0 293.367 2.141 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313249531 394542139 /nfs/dbraw/zinc/54/21/39/394542139.db2.gz AWTVYWDEWYXCBI-LZNQSLFOSA-N 1 0 291.351 2.098 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000049520047 394548744 /nfs/dbraw/zinc/54/87/44/394548744.db2.gz WFIBCPAMTXUWIB-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000421557612 394551938 /nfs/dbraw/zinc/55/19/38/394551938.db2.gz RKPFEQQVKYPIFO-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000413449447 394554657 /nfs/dbraw/zinc/55/46/57/394554657.db2.gz XNQYBBQNPKRNJU-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000356184052 394556381 /nfs/dbraw/zinc/55/63/81/394556381.db2.gz SVYOPMMKLZWFTL-UHFFFAOYSA-N 1 0 297.318 2.150 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522828 394655128 /nfs/dbraw/zinc/65/51/28/394655128.db2.gz OUJXCCUMLYDSNS-CYBMUJFWSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000421892194 394629770 /nfs/dbraw/zinc/62/97/70/394629770.db2.gz NHJYUGJJXWMWCS-JTQLQIEISA-N 1 0 293.367 2.139 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000270099032 394725840 /nfs/dbraw/zinc/72/58/40/394725840.db2.gz LBWFPRDFFGBLLK-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000414885573 394787563 /nfs/dbraw/zinc/78/75/63/394787563.db2.gz PGMDGDXECKLAAB-QEJZJMRPSA-N 1 0 289.379 2.258 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000121818968 394804137 /nfs/dbraw/zinc/80/41/37/394804137.db2.gz GTNUOJXMTGRYMX-LBPRGKRZSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414926582 394805876 /nfs/dbraw/zinc/80/58/76/394805876.db2.gz JXSGOIIDYXHWHH-SECBINFHSA-N 1 0 292.364 2.155 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422817409 394808765 /nfs/dbraw/zinc/80/87/65/394808765.db2.gz HOIINXGBHMHSAU-VXGBXAGGSA-N 1 0 291.351 2.034 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000415066569 394871865 /nfs/dbraw/zinc/87/18/65/394871865.db2.gz JKVBIXQLBJPVCI-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415295574 394919338 /nfs/dbraw/zinc/91/93/38/394919338.db2.gz LTRNBWCJJINSFD-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415451140 394933593 /nfs/dbraw/zinc/93/35/93/394933593.db2.gz ZUQZNHBDQOHWHR-QWRGUYRKSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415572444 394945130 /nfs/dbraw/zinc/94/51/30/394945130.db2.gz BFCMWKZLSJCABF-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415581288 394945872 /nfs/dbraw/zinc/94/58/72/394945872.db2.gz NDWMNUJOLUPAGQ-NSHDSACASA-N 1 0 294.355 2.461 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152341885 394994540 /nfs/dbraw/zinc/99/45/40/394994540.db2.gz XALBOPNYEFTNIQ-CHWSQXEVSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285859132 394974561 /nfs/dbraw/zinc/97/45/61/394974561.db2.gz ILQFZTHRRDOBSD-MWLCHTKSSA-N 1 0 252.339 2.436 20 5 CEBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076460 394977186 /nfs/dbraw/zinc/97/71/86/394977186.db2.gz QEPUBTQFYUAQJA-SMDDNHRTSA-N 1 0 278.356 2.340 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000288663491 395064650 /nfs/dbraw/zinc/06/46/50/395064650.db2.gz VKPPIVQCHNFSND-GHMZBOCLSA-N 1 0 277.324 2.230 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000347033665 395118037 /nfs/dbraw/zinc/11/80/37/395118037.db2.gz BXCNNFZDKDRYGT-XHDPSFHLSA-N 1 0 277.368 2.462 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000398921897 395239628 /nfs/dbraw/zinc/23/96/28/395239628.db2.gz OKWMNDWXRIQLSU-GXTWGEPZSA-N 1 0 278.352 2.088 20 5 CEBDRO Cc1ccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399734976 395248172 /nfs/dbraw/zinc/24/81/72/395248172.db2.gz NNMYNTVDZGTPKC-GXFFZTMASA-N 1 0 279.340 2.461 20 5 CEBDRO Cc1ccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399734980 395248247 /nfs/dbraw/zinc/24/82/47/395248247.db2.gz NNMYNTVDZGTPKC-ZWNOBZJWSA-N 1 0 279.340 2.461 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292429758 395194982 /nfs/dbraw/zinc/19/49/82/395194982.db2.gz XEQAUYRUWGJTSZ-ZDUSSCGKSA-N 1 0 296.758 2.175 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000181057359 395208460 /nfs/dbraw/zinc/20/84/60/395208460.db2.gz CRJTVVOOGSPLSC-JKOKRWQUSA-N 1 0 264.325 2.467 20 5 CEBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000353028280 395285186 /nfs/dbraw/zinc/28/51/86/395285186.db2.gz ZIZAUSKEWCPMJG-UHFFFAOYSA-N 1 0 270.716 2.205 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420274350 395288993 /nfs/dbraw/zinc/28/89/93/395288993.db2.gz FRWBQJXMUJUXGL-WDEREUQCSA-N 1 0 281.360 2.049 20 5 CEBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])s1 ZINC000420277050 395290006 /nfs/dbraw/zinc/29/00/06/395290006.db2.gz MSCBLWDFVJNKBY-LLVKDONJSA-N 1 0 292.364 2.148 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCO[C@H](C[NH3+])C1 ZINC000420394976 395369019 /nfs/dbraw/zinc/36/90/19/395369019.db2.gz SNYBWXXODTWIJX-GXTWGEPZSA-N 1 0 293.367 2.014 20 5 CEBDRO C[NH2+]CCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420335360 395333380 /nfs/dbraw/zinc/33/33/80/395333380.db2.gz IVVKGDRGQPXJJF-NSHDSACASA-N 1 0 251.330 2.115 20 5 CEBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000440646367 395338713 /nfs/dbraw/zinc/33/87/13/395338713.db2.gz FPBNAVNMGXCEMB-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO C[NH2+]CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420355196 395342757 /nfs/dbraw/zinc/34/27/57/395342757.db2.gz DZCDRCDRGIYNLB-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000443864065 395403416 /nfs/dbraw/zinc/40/34/16/395403416.db2.gz SLYUHQDAQBMZBN-HQWBGCBWSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1nn(C)c(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443969179 395408172 /nfs/dbraw/zinc/40/81/72/395408172.db2.gz RPNVRHZBMAVGNY-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931317 395437800 /nfs/dbraw/zinc/43/78/00/395437800.db2.gz DBTVGZNOUZEYTA-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444686834 395445512 /nfs/dbraw/zinc/44/55/12/395445512.db2.gz XXUQJAYUXXRHBP-RNCFNFMXSA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449591989 395556341 /nfs/dbraw/zinc/55/63/41/395556341.db2.gz XTLSZSMQXJLHDE-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000572930803 395594401 /nfs/dbraw/zinc/59/44/01/395594401.db2.gz VGIICKPYQGKDCM-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000222116233 153312824 /nfs/dbraw/zinc/31/28/24/153312824.db2.gz NYRICIDQXAXBAJ-UHFFFAOYSA-N 1 0 272.304 2.377 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453632 153323156 /nfs/dbraw/zinc/32/31/56/153323156.db2.gz WPPACHWCCUIGDR-LDYMZIIASA-N 1 0 274.267 2.180 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943491 153371471 /nfs/dbraw/zinc/37/14/71/153371471.db2.gz CVWPAHNPRDIPAA-WDEREUQCSA-N 1 0 279.340 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000286243205 292289634 /nfs/dbraw/zinc/28/96/34/292289634.db2.gz FMMVXOVDPQZMLF-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359281106 154947520 /nfs/dbraw/zinc/94/75/20/154947520.db2.gz CTWRBALPSDICRJ-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000367628177 156218057 /nfs/dbraw/zinc/21/80/57/156218057.db2.gz VPCAUSSAESHUIK-ZRJCITRHSA-N 1 0 276.336 2.446 20 5 CEBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000167080595 165036331 /nfs/dbraw/zinc/03/63/31/165036331.db2.gz RBAZAMSJUSLGDM-RKDXNWHRSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174867099 165119790 /nfs/dbraw/zinc/11/97/90/165119790.db2.gz LEPOULMXOJUWHE-LBPRGKRZSA-N 1 0 266.345 2.303 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000563535965 298783398 /nfs/dbraw/zinc/78/33/98/298783398.db2.gz BWPHTMRMLPQXKY-CYBMUJFWSA-N 1 0 281.381 2.232 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284552290 196082974 /nfs/dbraw/zinc/08/29/74/196082974.db2.gz VYKRWLZJRMPBTO-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000020217815 171081284 /nfs/dbraw/zinc/08/12/84/171081284.db2.gz XZNDDRKDUIJHDS-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO C[NH+]1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368277 172159420 /nfs/dbraw/zinc/15/94/20/172159420.db2.gz AUEHGGVXAQRBMK-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000285284645 196240063 /nfs/dbraw/zinc/24/00/63/196240063.db2.gz RKDBSOVWQOZGDG-VIFPVBQESA-N 1 0 289.339 2.070 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302611 196245615 /nfs/dbraw/zinc/24/56/15/196245615.db2.gz SDMNIPPFACUOEG-IUCAKERBSA-N 1 0 275.312 2.312 20 5 CEBDRO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285538593 196319159 /nfs/dbraw/zinc/31/91/59/196319159.db2.gz HKZHHFRYTUPGQO-ZDUSSCGKSA-N 1 0 286.278 2.388 20 5 CEBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000285606525 196342385 /nfs/dbraw/zinc/34/23/85/196342385.db2.gz CEOCCWJPLGLUGA-NEPJUHHUSA-N 1 0 284.385 2.055 20 5 CEBDRO Cc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000037319383 173119347 /nfs/dbraw/zinc/11/93/47/173119347.db2.gz NREJPFVGOGLIDM-UHFFFAOYSA-N 1 0 291.351 2.037 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCOC1 ZINC000038046021 174054557 /nfs/dbraw/zinc/05/45/57/174054557.db2.gz VBMAKWAYHDVHES-LLVKDONJSA-N 1 0 280.324 2.120 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCC(O)CC1 ZINC000286171888 196516304 /nfs/dbraw/zinc/51/63/04/196516304.db2.gz QJWAVIXHPACWPF-UHFFFAOYSA-N 1 0 264.325 2.030 20 5 CEBDRO COCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045037815 175294311 /nfs/dbraw/zinc/29/43/11/175294311.db2.gz CGFQUTULHIQJML-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1sc(C(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000045124691 175312047 /nfs/dbraw/zinc/31/20/47/175312047.db2.gz WXQOWYVVXOGCLV-UHFFFAOYSA-N 1 0 299.396 2.282 20 5 CEBDRO CCC[NH+](CCC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060478101 175638590 /nfs/dbraw/zinc/63/85/90/175638590.db2.gz GONJTZCZYSAHTE-AWEZNQCLSA-N 1 0 296.367 2.457 20 5 CEBDRO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147796 176043952 /nfs/dbraw/zinc/04/39/52/176043952.db2.gz RHHNLSAKHPDKCV-SNVBAGLBSA-N 1 0 283.759 2.290 20 5 CEBDRO CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314601 176121053 /nfs/dbraw/zinc/12/10/53/176121053.db2.gz WSHRODADXUUHBE-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071330307 176124216 /nfs/dbraw/zinc/12/42/16/176124216.db2.gz KXBSSJNRCUHNBH-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000071377554 176142749 /nfs/dbraw/zinc/14/27/49/176142749.db2.gz SVLBYFOKZJOLJG-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000566858594 299027230 /nfs/dbraw/zinc/02/72/30/299027230.db2.gz RUEHKVRERNTZKD-RISCZKNCSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000449138747 260244610 /nfs/dbraw/zinc/24/46/10/260244610.db2.gz CZCBFPVIVRZPFB-GFCCVEGCSA-N 1 0 278.352 2.421 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019435 270224800 /nfs/dbraw/zinc/22/48/00/270224800.db2.gz MXUQGSNWBOSCPI-QWRGUYRKSA-N 1 0 279.340 2.160 20 5 CEBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190039851 270266461 /nfs/dbraw/zinc/26/64/61/270266461.db2.gz ANBGETXGNKHBFL-CHWSQXEVSA-N 1 0 298.412 2.445 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@H+]1CC=CCC1 ZINC000392837676 270341613 /nfs/dbraw/zinc/34/16/13/270341613.db2.gz LRIIKFLQGPWLOD-UHFFFAOYSA-N 1 0 298.346 2.239 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227192 270352079 /nfs/dbraw/zinc/35/20/79/270352079.db2.gz CPEKQQRLNHPHMG-BZPMIXESSA-N 1 0 277.368 2.400 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398698607 270361582 /nfs/dbraw/zinc/36/15/82/270361582.db2.gz SCIDZTXFAKEYNW-VXGBXAGGSA-N 1 0 294.351 2.054 20 5 CEBDRO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399411861 270370538 /nfs/dbraw/zinc/37/05/38/270370538.db2.gz CJQQPUNSEUXCRQ-BXKDBHETSA-N 1 0 265.313 2.153 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000420282473 270503197 /nfs/dbraw/zinc/50/31/97/270503197.db2.gz NFNSINNRPHUWTO-IUCAKERBSA-N 1 0 295.368 2.233 20 5 CEBDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421853534 270671629 /nfs/dbraw/zinc/67/16/29/270671629.db2.gz JCQHFJRFHPLGMJ-CYBMUJFWSA-N 1 0 291.351 2.291 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]3O)o2)cc1 ZINC000424194560 271030739 /nfs/dbraw/zinc/03/07/39/271030739.db2.gz BISMCNVRBAMOGG-ZIAGYGMSSA-N 1 0 288.303 2.468 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424365090 271051408 /nfs/dbraw/zinc/05/14/08/271051408.db2.gz GGUNTMGIXWGBBC-ZIAGYGMSSA-N 1 0 263.341 2.263 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000430233227 271364503 /nfs/dbraw/zinc/36/45/03/271364503.db2.gz KNDCRBRFOXETBK-LLVKDONJSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCCO)C1CC1 ZINC000430226125 271365557 /nfs/dbraw/zinc/36/55/57/271365557.db2.gz LZPQQFXVOFCPFX-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000408472624 273816645 /nfs/dbraw/zinc/81/66/45/273816645.db2.gz WAKLRDPYGNWILU-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO COC[C@](C)([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349192563 274052456 /nfs/dbraw/zinc/05/24/56/274052456.db2.gz RCSRYRRXGBLSRD-LLVKDONJSA-N 1 0 273.720 2.024 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086469351 274587592 /nfs/dbraw/zinc/58/75/92/274587592.db2.gz WMBGNSUHLJCDGQ-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000271418579 274705932 /nfs/dbraw/zinc/70/59/32/274705932.db2.gz UPYULZZDHJFZQY-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000135741839 274759352 /nfs/dbraw/zinc/75/93/52/274759352.db2.gz HVXXLCWOCMLBDG-LBPRGKRZSA-N 1 0 291.351 2.176 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000299928729 275041421 /nfs/dbraw/zinc/04/14/21/275041421.db2.gz JYNNIUWYJBIXLV-IUCAKERBSA-N 1 0 268.342 2.090 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230688523 275668400 /nfs/dbraw/zinc/66/84/00/275668400.db2.gz ZESYWQXYIUKLFR-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000312980492 275854738 /nfs/dbraw/zinc/85/47/38/275854738.db2.gz PRZVRHWMCWSQCB-CYBMUJFWSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178170667 276118629 /nfs/dbraw/zinc/11/86/29/276118629.db2.gz GORFOVZYSNRPIN-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CCN(CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289390755 276122977 /nfs/dbraw/zinc/12/29/77/276122977.db2.gz DXBPNJXDIYGQJN-UHFFFAOYSA-N 1 0 295.383 2.377 20 5 CEBDRO CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000212733805 276135445 /nfs/dbraw/zinc/13/54/45/276135445.db2.gz HLUMNTZWRFEEMV-UHFFFAOYSA-N 1 0 269.732 2.436 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000341983457 276140095 /nfs/dbraw/zinc/14/00/95/276140095.db2.gz FUCNQMSEDKYJHA-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)O ZINC000271134272 276428786 /nfs/dbraw/zinc/42/87/86/276428786.db2.gz MSGQLUMHRZPVTK-MNOVXSKESA-N 1 0 284.381 2.436 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CO ZINC000271173842 276573583 /nfs/dbraw/zinc/57/35/83/276573583.db2.gz UUBDGLSYGJTSAW-GHMZBOCLSA-N 1 0 284.381 2.436 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCC1 ZINC000091550301 276722383 /nfs/dbraw/zinc/72/23/83/276722383.db2.gz TVIMANRUSZJSMX-NSHDSACASA-N 1 0 295.387 2.263 20 5 CEBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000347571431 277109021 /nfs/dbraw/zinc/10/90/21/277109021.db2.gz RAJSRBODSNAXAK-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375051814 277178304 /nfs/dbraw/zinc/17/83/04/277178304.db2.gz XEEASZBEYQSVFR-HZMBPMFUSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000037738535 277621806 /nfs/dbraw/zinc/62/18/06/277621806.db2.gz DLIMVDQKSPILIP-MNOVXSKESA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339627 288010809 /nfs/dbraw/zinc/01/08/09/288010809.db2.gz NAMBNEOURABTRI-SCZZXKLOSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261811693 278121669 /nfs/dbraw/zinc/12/16/69/278121669.db2.gz SKFFNKJIZXPBEH-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261820841 278121732 /nfs/dbraw/zinc/12/17/32/278121732.db2.gz TXRYWBDYLVRLPG-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063192303 278316967 /nfs/dbraw/zinc/31/69/67/278316967.db2.gz KWZHQPJHKWHVHZ-NOZJJQNGSA-N 1 0 295.314 2.076 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000237889278 279673807 /nfs/dbraw/zinc/67/38/07/279673807.db2.gz UOHREJPLRRVNFZ-NWDGAFQWSA-N 1 0 289.335 2.001 20 5 CEBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135402098 280045440 /nfs/dbraw/zinc/04/54/40/280045440.db2.gz FEZLSOGNNYLRKI-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917084 280194262 /nfs/dbraw/zinc/19/42/62/280194262.db2.gz LGQBAPIVSGJJAV-ZIAGYGMSSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000290215959 280978476 /nfs/dbraw/zinc/97/84/76/280978476.db2.gz QKGRVCDLTOTULO-IHRRRGAJSA-N 1 0 280.324 2.049 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272135639 281013647 /nfs/dbraw/zinc/01/36/47/281013647.db2.gz AJVSGGRPPITJBT-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1c([C@H](C)N[C@@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433988 281040205 /nfs/dbraw/zinc/04/02/05/281040205.db2.gz CSKCJRXIGLUKMZ-VWYCJHECSA-N 1 0 251.330 2.290 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437568 281041815 /nfs/dbraw/zinc/04/18/15/281041815.db2.gz GGDUSTDKXYQUTG-DCAQKATOSA-N 1 0 281.356 2.380 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719053 281082300 /nfs/dbraw/zinc/08/23/00/281082300.db2.gz DWZHZUYKKCWCRG-GHMZBOCLSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723681 281083441 /nfs/dbraw/zinc/08/34/41/281083441.db2.gz LXQGRDCVBDRZSF-CYBMUJFWSA-N 1 0 291.351 2.213 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455977 281237958 /nfs/dbraw/zinc/23/79/58/281237958.db2.gz SOFAUCDPWXXVEG-PSASIEDQSA-N 1 0 274.267 2.262 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000429762424 281253058 /nfs/dbraw/zinc/25/30/58/281253058.db2.gz PUBLHPWGQAEREC-ZWNOBZJWSA-N 1 0 282.315 2.375 20 5 CEBDRO CCc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000444265782 281589464 /nfs/dbraw/zinc/58/94/64/281589464.db2.gz RNFDXMFKLCYEHP-CYBMUJFWSA-N 1 0 291.351 2.029 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000152423379 289088297 /nfs/dbraw/zinc/08/82/97/289088297.db2.gz YSXALAOEWZAABV-RYUDHWBXSA-N 1 0 291.351 2.175 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000459766411 290232179 /nfs/dbraw/zinc/23/21/79/290232179.db2.gz DOLNAGJVBJZQSM-YPMHNXCESA-N 1 0 298.314 2.400 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157759166 295256888 /nfs/dbraw/zinc/25/68/88/295256888.db2.gz GYQPMUUPNCQIBM-GZMMTYOYSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532291726 298138770 /nfs/dbraw/zinc/13/87/70/298138770.db2.gz SYOXGXMAWOVHEG-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000537968172 298222791 /nfs/dbraw/zinc/22/27/91/298222791.db2.gz SZXPDHXIOPFGIH-IUODEOHRSA-N 1 0 294.351 2.378 20 5 CEBDRO COc1ccc(OCC[NH+]2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548096451 298393672 /nfs/dbraw/zinc/39/36/72/298393672.db2.gz YINMJEGDBFRWSQ-QWRGUYRKSA-N 1 0 280.324 2.465 20 5 CEBDRO CN(CCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000557648159 298574656 /nfs/dbraw/zinc/57/46/56/298574656.db2.gz WZOIBBATCINEMY-UHFFFAOYSA-N 1 0 255.293 2.122 20 5 CEBDRO Cn1cc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000563418781 298775191 /nfs/dbraw/zinc/77/51/91/298775191.db2.gz PRAKHRYGYGHXGZ-CQSZACIVSA-N 1 0 286.335 2.148 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000566971657 299032888 /nfs/dbraw/zinc/03/28/88/299032888.db2.gz QOPCFCMBDAEMNG-UHFFFAOYSA-N 1 0 286.335 2.458 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000301458452 302350747 /nfs/dbraw/zinc/35/07/47/302350747.db2.gz SUVCPRRWSHPPCC-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264589197 304810688 /nfs/dbraw/zinc/81/06/88/304810688.db2.gz LHBJLQZRLABJCI-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000182172039 312808966 /nfs/dbraw/zinc/80/89/66/312808966.db2.gz JUIZEKVDIBNVHK-VXGBXAGGSA-N 1 0 296.367 2.359 20 5 CEBDRO CC[NH2+]CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564822602 313777593 /nfs/dbraw/zinc/77/75/93/313777593.db2.gz STBNNAPGDWMEBS-LLVKDONJSA-N 1 0 251.330 2.245 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000568999021 313980488 /nfs/dbraw/zinc/98/04/88/313980488.db2.gz OEBZQWVPEAYWAH-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO Cc1cc(N2CCC3(CC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000571037675 314068957 /nfs/dbraw/zinc/06/89/57/314068957.db2.gz CGQMNHUFZZGHGU-UHFFFAOYSA-N 1 0 279.315 2.375 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207551 314078691 /nfs/dbraw/zinc/07/86/91/314078691.db2.gz BUAIGYBRQBXHQT-WFASDCNBSA-N 1 0 277.368 2.367 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cn[nH]c1 ZINC000576291529 314260721 /nfs/dbraw/zinc/26/07/21/314260721.db2.gz KVYJWCYRWNPCRN-CYBMUJFWSA-N 1 0 272.308 2.138 20 5 CEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842352 314316393 /nfs/dbraw/zinc/31/63/93/314316393.db2.gz GNYMMAYLSHHUCO-GWCFXTLKSA-N 1 0 294.330 2.192 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577049701 314336296 /nfs/dbraw/zinc/33/62/96/314336296.db2.gz XBNRRXFOBLOLPJ-TXEJJXNPSA-N 1 0 298.346 2.474 20 5 CEBDRO COc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382453216 321840002 /nfs/dbraw/zinc/84/00/02/321840002.db2.gz HDIMOFIYXJDKGT-ZJUUUORDSA-N 1 0 265.313 2.285 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000386767461 321874005 /nfs/dbraw/zinc/87/40/05/321874005.db2.gz HHROELVBFBVZRD-UMAGTOLTSA-N 1 0 291.351 2.242 20 5 CEBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253977 321883094 /nfs/dbraw/zinc/88/30/94/321883094.db2.gz YNWPREJIFYHTKF-YGRLFVJLSA-N 1 0 264.325 2.498 20 5 CEBDRO CC(C)[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583020395 322519604 /nfs/dbraw/zinc/51/96/04/322519604.db2.gz XSMUVOPLEBSZMG-OLZOCXBDSA-N 1 0 296.367 2.216 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982699 533996708 /nfs/dbraw/zinc/99/67/08/533996708.db2.gz BOKSTGRSLAIVHC-CORIIIEPSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294901 534088250 /nfs/dbraw/zinc/08/82/50/534088250.db2.gz DETRGZVNCYKBAZ-HZMBPMFUSA-N 1 0 264.325 2.333 20 5 CEBDRO CCC[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000049558070 519847704 /nfs/dbraw/zinc/84/77/04/519847704.db2.gz FBPFTBRPUCFZEL-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000052812238 521641063 /nfs/dbraw/zinc/64/10/63/521641063.db2.gz VDKAIGNFNDYRTG-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000183437224 522368426 /nfs/dbraw/zinc/36/84/26/522368426.db2.gz AGOGRCSCWWQOEG-GFCCVEGCSA-N 1 0 291.307 2.251 20 5 CEBDRO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183228355 522917173 /nfs/dbraw/zinc/91/71/73/522917173.db2.gz UORIPUKYCJBSIU-UHFFFAOYSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070172228 524175213 /nfs/dbraw/zinc/17/52/13/524175213.db2.gz WIJSHFLJRBFFQV-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000050444019 524486253 /nfs/dbraw/zinc/48/62/53/524486253.db2.gz QEIDWOJKYRMAAB-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070077832 524617649 /nfs/dbraw/zinc/61/76/49/524617649.db2.gz KOZNUZQSTNWNDP-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000414669355 534847411 /nfs/dbraw/zinc/84/74/11/534847411.db2.gz ZULCNJPBBOIXCV-NSHDSACASA-N 1 0 292.339 2.249 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070149081 525559317 /nfs/dbraw/zinc/55/93/17/525559317.db2.gz JXUWWOZWWDMPDT-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000052812791 525576115 /nfs/dbraw/zinc/57/61/15/525576115.db2.gz JXZQHWGYHXHNRC-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)nc2sccn21 ZINC000058733106 527321256 /nfs/dbraw/zinc/32/12/56/527321256.db2.gz UEQSIWUOKAXBAI-UHFFFAOYSA-N 1 0 295.368 2.202 20 5 CEBDRO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349924 527884899 /nfs/dbraw/zinc/88/48/99/527884899.db2.gz UDMYXQGNYPLAPY-JSGCOSHPSA-N 1 0 277.368 2.210 20 5 CEBDRO CCOCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000357590346 528657055 /nfs/dbraw/zinc/65/70/55/528657055.db2.gz FJQXVSNQARCFCC-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732054541 574611055 /nfs/dbraw/zinc/61/10/55/574611055.db2.gz YYZXOHDAUSIBQD-GFCCVEGCSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168315 574646883 /nfs/dbraw/zinc/64/68/83/574646883.db2.gz SXGSDTVVFAKJJV-SNVBAGLBSA-N 1 0 299.396 2.281 20 5 CEBDRO Cc1cccc(C(=O)NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742238216 575013031 /nfs/dbraw/zinc/01/30/31/575013031.db2.gz XNEIQBJJZMTLLB-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820512 575198139 /nfs/dbraw/zinc/19/81/39/575198139.db2.gz NZMXYKYFPQTAMS-LBPRGKRZSA-N 1 0 286.335 2.414 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749938834 575240758 /nfs/dbraw/zinc/24/07/58/575240758.db2.gz ULJBBQRHZPADKX-SNVBAGLBSA-N 1 0 289.339 2.337 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082022 575246164 /nfs/dbraw/zinc/24/61/64/575246164.db2.gz QAGAEXBOBDOTSZ-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000751928597 575301460 /nfs/dbraw/zinc/30/14/60/575301460.db2.gz NFJBDQUMLKNSLI-QWRGUYRKSA-N 1 0 274.324 2.490 20 5 CEBDRO COc1ccc(C[NH2+]CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000049575214 622560593 /nfs/dbraw/zinc/56/05/93/622560593.db2.gz NDVAHCPILBCDGO-UHFFFAOYSA-N 1 0 293.367 2.179 20 5 CEBDRO C[C@@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090740046 623508787 /nfs/dbraw/zinc/50/87/87/623508787.db2.gz GNDKTAJSKSFKLC-VIFPVBQESA-N 1 0 272.732 2.356 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000121338036 623575761 /nfs/dbraw/zinc/57/57/61/623575761.db2.gz NKCZOBIJEABFIA-CYBMUJFWSA-N 1 0 264.325 2.418 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000891667354 623875490 /nfs/dbraw/zinc/87/54/90/623875490.db2.gz DDKKPMRIFYUZMQ-UHFFFAOYSA-N 1 0 281.360 2.049 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])cc1OC ZINC000891789159 623970602 /nfs/dbraw/zinc/97/06/02/623970602.db2.gz LIZSKIANBJWBBO-SNVBAGLBSA-N 1 0 282.344 2.141 20 5 CEBDRO Cc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000933735383 623984427 /nfs/dbraw/zinc/98/44/27/623984427.db2.gz XBVNIMHJNVFPPL-ZBFHGGJFSA-N 1 0 289.379 2.287 20 5 CEBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000176230169 624211669 /nfs/dbraw/zinc/21/16/69/624211669.db2.gz UNPYKGVKYBRRAT-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000892081364 624303191 /nfs/dbraw/zinc/30/31/91/624303191.db2.gz XTDVBPOFQUIAQU-NSHDSACASA-N 1 0 294.355 2.141 20 5 CEBDRO NC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000934823712 624823901 /nfs/dbraw/zinc/82/39/01/624823901.db2.gz OISDUWWUJKYUKO-UHFFFAOYSA-N 1 0 291.351 2.263 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000177925649 625915211 /nfs/dbraw/zinc/91/52/11/625915211.db2.gz OHRAKVUWTBXDGH-UHFFFAOYSA-N 1 0 280.324 2.335 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000820596138 634466569 /nfs/dbraw/zinc/46/65/69/634466569.db2.gz QKPNAUTWHWKLBD-ONGXEEELSA-N 1 0 294.311 2.032 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000892572562 627281970 /nfs/dbraw/zinc/28/19/70/627281970.db2.gz ZNFFWLMDJKNISG-SCZZXKLOSA-N 1 0 266.297 2.055 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892673059 627387886 /nfs/dbraw/zinc/38/78/86/627387886.db2.gz FJULOPRIPPCKNN-BDAKNGLRSA-N 1 0 291.311 2.026 20 5 CEBDRO CC(C)C[NH+](CC(C)C)Cn1nccc1[N+](=O)[O-] ZINC000123083263 628343550 /nfs/dbraw/zinc/34/35/50/628343550.db2.gz KYQPAKGDKHAIRY-UHFFFAOYSA-N 1 0 254.334 2.363 20 5 CEBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000313052558 628577376 /nfs/dbraw/zinc/57/73/76/628577376.db2.gz BKJOQZPISCQGAC-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902447650 634670394 /nfs/dbraw/zinc/67/03/94/634670394.db2.gz UWDAKUKNCLZFHF-MFKMUULPSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC000902467269 634684849 /nfs/dbraw/zinc/68/48/49/634684849.db2.gz OKXKXIDTWDCCMX-YXCITZCRSA-N 1 0 275.352 2.447 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000821337334 634688214 /nfs/dbraw/zinc/68/82/14/634688214.db2.gz UGTCXWULQHZTKI-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO C[N@H+](CC1CC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000047252625 629153531 /nfs/dbraw/zinc/15/35/31/629153531.db2.gz PKPZYZCVRLUTPO-UHFFFAOYSA-N 1 0 287.323 2.153 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000261735094 629170356 /nfs/dbraw/zinc/17/03/56/629170356.db2.gz KNZOULRPDHOWAB-SSDOTTSWSA-N 1 0 296.714 2.449 20 5 CEBDRO CCO[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000902528581 634716092 /nfs/dbraw/zinc/71/60/92/634716092.db2.gz NVYSKIFOEKOSIG-ZDUSSCGKSA-N 1 0 290.323 2.013 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924954239 629291102 /nfs/dbraw/zinc/29/11/02/629291102.db2.gz IEBWVQCMXYIUDK-HBYGRHMLSA-N 1 0 294.351 2.364 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000261937962 629347848 /nfs/dbraw/zinc/34/78/48/629347848.db2.gz MHIJQWCHKVXYRH-SKDRFNHKSA-N 1 0 283.759 2.417 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC[C@@H](C)F)c1[N+](=O)[O-] ZINC000894623751 629562525 /nfs/dbraw/zinc/56/25/25/629562525.db2.gz JNCGMEKDPKJGSS-MRVPVSSYSA-N 1 0 272.276 2.147 20 5 CEBDRO C[N@@H+]1C[C@@]2(C)CN(c3sccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894798394 629646753 /nfs/dbraw/zinc/64/67/53/629646753.db2.gz UNFNQVVCRKSHBF-BETUJISGSA-N 1 0 281.381 2.434 20 5 CEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233108 629810208 /nfs/dbraw/zinc/81/02/08/629810208.db2.gz LDWXFWAMEDSSAH-QMMMGPOBSA-N 1 0 298.730 2.122 20 5 CEBDRO CC1(C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000902673760 634770590 /nfs/dbraw/zinc/77/05/90/634770590.db2.gz HNTUNTPAIGOYEP-NWDGAFQWSA-N 1 0 264.329 2.259 20 5 CEBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895785570 630344214 /nfs/dbraw/zinc/34/42/14/630344214.db2.gz VBCDASLIJNAELY-SVTWZJCESA-N 1 0 290.367 2.377 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459137 631530168 /nfs/dbraw/zinc/53/01/68/631530168.db2.gz IMEOISNNMVHSNQ-GHMZBOCLSA-N 1 0 280.324 2.240 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000803495720 631573940 /nfs/dbraw/zinc/57/39/40/631573940.db2.gz SEGAMAAAOSORDQ-ZDUSSCGKSA-N 1 0 298.314 2.363 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804324171 631664382 /nfs/dbraw/zinc/66/43/82/631664382.db2.gz YPMXVBAAZJLLAD-JTQLQIEISA-N 1 0 294.311 2.399 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H](O)C1CC1 ZINC000898199283 632112440 /nfs/dbraw/zinc/11/24/40/632112440.db2.gz KQNALDXFETYQPN-HIFRSBDPSA-N 1 0 276.336 2.333 20 5 CEBDRO CCON1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000323110504 632283043 /nfs/dbraw/zinc/28/30/43/632283043.db2.gz HBBLHRHVSZEWKF-UHFFFAOYSA-N 1 0 279.340 2.100 20 5 CEBDRO CCCCOc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905049255 635788437 /nfs/dbraw/zinc/78/84/37/635788437.db2.gz JLKPRXALIAKJQG-UHFFFAOYSA-N 1 0 252.314 2.232 20 5 CEBDRO COCCN1[C@H](C)CN(c2ccsc2[N+](=O)[O-])C[C@@H]1C ZINC000826628826 635796926 /nfs/dbraw/zinc/79/69/26/635796926.db2.gz FDOPBUNUKDYBCQ-PHIMTYICSA-N 1 0 299.396 2.202 20 5 CEBDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083448 632450738 /nfs/dbraw/zinc/45/07/38/632450738.db2.gz GWMHJXOHKRTACP-FZMZJTMJSA-N 1 0 280.324 2.051 20 5 CEBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905230726 635874633 /nfs/dbraw/zinc/87/46/33/635874633.db2.gz QLKOGEQYDYFISA-UHFFFAOYSA-N 1 0 262.231 2.380 20 5 CEBDRO C[C@H]([NH2+]CCOC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606917 633038094 /nfs/dbraw/zinc/03/80/94/633038094.db2.gz KLOABJZQZUQZRU-JTQLQIEISA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615529 633038647 /nfs/dbraw/zinc/03/86/47/633038647.db2.gz RDQHCNMDSCKHJX-QWRGUYRKSA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C1 ZINC000899871680 633063672 /nfs/dbraw/zinc/06/36/72/633063672.db2.gz UITVXCNTOORGAE-AWEZNQCLSA-N 1 0 291.395 2.285 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1CCSc2ccc(F)cc21 ZINC000899866252 633066637 /nfs/dbraw/zinc/06/66/37/633066637.db2.gz VXRNPAWOAOXFKQ-JTQLQIEISA-N 1 0 256.302 2.229 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(C3=CCC[NH2+]CC3)n2)c1 ZINC000899993713 633162751 /nfs/dbraw/zinc/16/27/51/633162751.db2.gz LSAQIJKETLYNTI-UHFFFAOYSA-N 1 0 286.291 2.412 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000817131919 633590404 /nfs/dbraw/zinc/59/04/04/633590404.db2.gz VLQQEEAMVAQQGB-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000817131660 633590581 /nfs/dbraw/zinc/59/05/81/633590581.db2.gz JMAZCPYSSQGTDV-SECBINFHSA-N 1 0 285.294 2.403 20 5 CEBDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000818616631 633960484 /nfs/dbraw/zinc/96/04/84/633960484.db2.gz YYGUBLDDVFZAJJ-IRUJWGPZSA-N 1 0 278.356 2.098 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC2CCCC2)c1 ZINC000818965015 634018224 /nfs/dbraw/zinc/01/82/24/634018224.db2.gz BWPKAUITXHRCRB-OAHLLOKOSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819121128 634074249 /nfs/dbraw/zinc/07/42/49/634074249.db2.gz HEIYMUAMXMXSPA-SMDDNHRTSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCS2)c1 ZINC000819149166 634085797 /nfs/dbraw/zinc/08/57/97/634085797.db2.gz GHHRRRKOFKJODI-QWHCGFSZSA-N 1 0 282.365 2.113 20 5 CEBDRO COCC[NH2+]CCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396471 634089772 /nfs/dbraw/zinc/08/97/72/634089772.db2.gz TVGMKIKVFPLCJH-UHFFFAOYSA-N 1 0 291.307 2.028 20 5 CEBDRO COCCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819177600 634093999 /nfs/dbraw/zinc/09/39/99/634093999.db2.gz UUMJITSAYQFAMK-AWEZNQCLSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250476 634117747 /nfs/dbraw/zinc/11/77/47/634117747.db2.gz ZIDKKSPSMKVQRS-DYEKYZERSA-N 1 0 294.351 2.113 20 5 CEBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819346202 634148213 /nfs/dbraw/zinc/14/82/13/634148213.db2.gz UHUAGVDYQPVPMN-OSMZGAPFSA-N 1 0 264.325 2.264 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000819373747 634160796 /nfs/dbraw/zinc/16/07/96/634160796.db2.gz CHHXUEYVOQOJKZ-MCIONIFRSA-N 1 0 288.303 2.367 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000822509698 634933941 /nfs/dbraw/zinc/93/39/41/634933941.db2.gz MEVRNSXWTAJSJQ-STQMWFEESA-N 1 0 299.415 2.201 20 5 CEBDRO COCC1([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903138975 634987840 /nfs/dbraw/zinc/98/78/40/634987840.db2.gz BURAKARYPARTQW-SNVBAGLBSA-N 1 0 280.324 2.433 20 5 CEBDRO C[C@@H](C[NH2+][C@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245422 635025760 /nfs/dbraw/zinc/02/57/60/635025760.db2.gz LYPRPNUBQSQHAE-WDEREUQCSA-N 1 0 289.339 2.178 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245664 635027045 /nfs/dbraw/zinc/02/70/45/635027045.db2.gz NIFVOLXMXCXXCP-FZMZJTMJSA-N 1 0 294.351 2.439 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000903261748 635034951 /nfs/dbraw/zinc/03/49/51/635034951.db2.gz XFDMPEGGAGYYNH-VOMCLLRMSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000903413045 635106067 /nfs/dbraw/zinc/10/60/67/635106067.db2.gz YYNHIIRDRZUEBC-BMIGLBTASA-N 1 0 296.342 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484519 635152182 /nfs/dbraw/zinc/15/21/82/635152182.db2.gz AHVBSFYRVNWHAW-AWEZNQCLSA-N 1 0 293.342 2.498 20 5 CEBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH3+] ZINC000903556406 635166507 /nfs/dbraw/zinc/16/65/07/635166507.db2.gz XZYLKZFOWXDKCR-LBPRGKRZSA-N 1 0 283.759 2.417 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903799096 635275551 /nfs/dbraw/zinc/27/55/51/635275551.db2.gz QOCXAPIYVLQKKW-SWLSCSKDSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903856407 635308020 /nfs/dbraw/zinc/30/80/20/635308020.db2.gz RGHGMTADCKMJGB-FZMZJTMJSA-N 1 0 279.315 2.047 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000904420118 635631290 /nfs/dbraw/zinc/63/12/90/635631290.db2.gz BXISEPQBIWZTJZ-NWDGAFQWSA-N 1 0 295.770 2.290 20 5 CEBDRO CC(C)(C[NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000905072785 635812641 /nfs/dbraw/zinc/81/26/41/635812641.db2.gz SMDDVZWBBKJFJH-UHFFFAOYSA-N 1 0 256.733 2.484 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000905159519 635834212 /nfs/dbraw/zinc/83/42/12/635834212.db2.gz MDIVXOUCOBWWPH-DTWKUNHWSA-N 1 0 254.252 2.221 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000905242233 636193658 /nfs/dbraw/zinc/19/36/58/636193658.db2.gz BULVUXMPEAONAZ-WDEREUQCSA-N 1 0 285.141 2.171 20 5 CEBDRO O=[N+]([O-])CCNc1cccc(CC[NH+]2CCCC2)c1 ZINC000905329000 636234891 /nfs/dbraw/zinc/23/48/91/636234891.db2.gz IXTFMVAVBVBATQ-UHFFFAOYSA-N 1 0 263.341 2.014 20 5 CEBDRO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]CC[N+](=O)[O-] ZINC000905385713 636243179 /nfs/dbraw/zinc/24/31/79/636243179.db2.gz PVJFOEHGKAMPJT-UHFFFAOYSA-N 1 0 265.288 2.024 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000905397219 636255629 /nfs/dbraw/zinc/25/56/29/636255629.db2.gz ANJOXEJAPWETEU-MRXNPFEDSA-N 1 0 291.395 2.298 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000905398499 636256829 /nfs/dbraw/zinc/25/68/29/636256829.db2.gz IYWQDERLFMYYQJ-UHFFFAOYSA-N 1 0 285.706 2.369 20 5 CEBDRO CC(C)c1ccc(CNC2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000906509213 636760543 /nfs/dbraw/zinc/76/05/43/636760543.db2.gz ARCUNGBMVDGJPA-UHFFFAOYSA-N 1 0 263.341 2.298 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876508607 650295585 /nfs/dbraw/zinc/29/55/85/650295585.db2.gz RUWNOAYILHVTMI-GFCCVEGCSA-N 1 0 299.330 2.230 20 5 CEBDRO CC[N@H+](CCSC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830999474 637214193 /nfs/dbraw/zinc/21/41/93/637214193.db2.gz MENXNMDFTNXHBZ-CYBMUJFWSA-N 1 0 284.381 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1F ZINC000832787385 637670872 /nfs/dbraw/zinc/67/08/72/637670872.db2.gz WYYJBGOWICCVPR-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C1CC[NH2+]CC1 ZINC000911907093 638474641 /nfs/dbraw/zinc/47/46/41/638474641.db2.gz QXLKCJSHMMFGPX-UHFFFAOYSA-N 1 0 299.277 2.168 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000226129899 639525635 /nfs/dbraw/zinc/52/56/35/639525635.db2.gz JFZNCVDJTZGVQJ-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158012926 639559835 /nfs/dbraw/zinc/55/98/35/639559835.db2.gz PYVUSQKSXVLURF-HJXMOBQMSA-N 1 0 282.365 2.157 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850203 639586270 /nfs/dbraw/zinc/58/62/70/639586270.db2.gz RIRIHXQKXVZSSY-DCXZOGHSSA-N 1 0 290.772 2.105 20 5 CEBDRO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000841011759 639617284 /nfs/dbraw/zinc/61/72/84/639617284.db2.gz UWDMFENLHAMAMI-UHFFFAOYSA-N 1 0 298.730 2.202 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841011592 639617318 /nfs/dbraw/zinc/61/73/18/639617318.db2.gz SEPHONPUKLWKCY-JTQLQIEISA-N 1 0 298.730 2.107 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841028836 639621374 /nfs/dbraw/zinc/62/13/74/639621374.db2.gz IJWASPUEKSZXBX-LBPRGKRZSA-N 1 0 271.748 2.321 20 5 CEBDRO [NH3+][C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841048864 639632174 /nfs/dbraw/zinc/63/21/74/639632174.db2.gz FXHRFSRGHJYDMO-LBPRGKRZSA-N 1 0 269.732 2.075 20 5 CEBDRO CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000841065421 639640392 /nfs/dbraw/zinc/64/03/92/639640392.db2.gz OYFYXYOJFAEGDG-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233306 639714060 /nfs/dbraw/zinc/71/40/60/639714060.db2.gz QJAKLNCSSLDAGG-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC(F)(F)F)C2)c1 ZINC000877064090 650556282 /nfs/dbraw/zinc/55/62/82/650556282.db2.gz MYGQOLKSIHOWNY-UHFFFAOYSA-N 1 0 292.261 2.427 20 5 CEBDRO [NH3+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843047610 640252976 /nfs/dbraw/zinc/25/29/76/640252976.db2.gz QAKNUZULTFHXRL-UHFFFAOYSA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056865 640260261 /nfs/dbraw/zinc/26/02/61/640260261.db2.gz BDFILDLRQIBZMD-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187335 640338958 /nfs/dbraw/zinc/33/89/58/640338958.db2.gz NJURXVQGKDQKQN-SECBINFHSA-N 1 0 276.296 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844469777 640740192 /nfs/dbraw/zinc/74/01/92/640740192.db2.gz DZTLNDDMDYUGBM-QWHCGFSZSA-N 1 0 298.289 2.359 20 5 CEBDRO CCOc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000916655565 640800371 /nfs/dbraw/zinc/80/03/71/640800371.db2.gz PXBKEADKVJKBQM-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000877241239 650638403 /nfs/dbraw/zinc/63/84/03/650638403.db2.gz OEFUESXNIUFVIL-ZDUSSCGKSA-N 1 0 293.367 2.283 20 5 CEBDRO Cc1cc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000847827767 641796136 /nfs/dbraw/zinc/79/61/36/641796136.db2.gz XJHLEZRKNKCIQZ-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO C[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000848631073 642082065 /nfs/dbraw/zinc/08/20/65/642082065.db2.gz WUTLQJUSDFVLOE-QMMMGPOBSA-N 1 0 262.269 2.234 20 5 CEBDRO CC(C)NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849016320 642232609 /nfs/dbraw/zinc/23/26/09/642232609.db2.gz BNITYBJOAJISJN-UHFFFAOYSA-N 1 0 284.747 2.313 20 5 CEBDRO Cc1c(CNC(=[NH2+])NC2CCC2)cccc1[N+](=O)[O-] ZINC000849022005 642235727 /nfs/dbraw/zinc/23/57/27/642235727.db2.gz QLUYNVBXFSLJGO-UHFFFAOYSA-N 1 0 262.313 2.070 20 5 CEBDRO Cc1c(CNC(=[NH2+])NCC2CCC2)cccc1[N+](=O)[O-] ZINC000849021998 642235739 /nfs/dbraw/zinc/23/57/39/642235739.db2.gz PMQPYPWURNAIDG-UHFFFAOYSA-N 1 0 276.340 2.317 20 5 CEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877474328 650738874 /nfs/dbraw/zinc/73/88/74/650738874.db2.gz SYPQGQKYKIQESV-DGCLKSJQSA-N 1 0 292.335 2.335 20 5 CEBDRO COc1cc(C[NH2+][C@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000850357928 642680992 /nfs/dbraw/zinc/68/09/92/642680992.db2.gz BTXGAAMANXJYFB-NSHDSACASA-N 1 0 278.308 2.420 20 5 CEBDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850554854 642751772 /nfs/dbraw/zinc/75/17/72/642751772.db2.gz MDRRHIBASSNRCW-AAEUAGOBSA-N 1 0 292.383 2.312 20 5 CEBDRO CC[C@H](C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OC ZINC000877559367 650788301 /nfs/dbraw/zinc/78/83/01/650788301.db2.gz WAARZZGPSDMOFS-DLOFLVKXSA-N 1 0 296.371 2.146 20 5 CEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877574562 650795844 /nfs/dbraw/zinc/79/58/44/650795844.db2.gz NLZYENNKEFSQCN-GVOSGWPFSA-N 1 0 294.355 2.042 20 5 CEBDRO CC(C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000851128023 642928523 /nfs/dbraw/zinc/92/85/23/642928523.db2.gz FHIQDDWYWXYECS-GFCCVEGCSA-N 1 0 286.372 2.095 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877584710 650801402 /nfs/dbraw/zinc/80/14/02/650801402.db2.gz WZUAQNIDLISUFV-UFGWSVJPSA-N 1 0 294.355 2.040 20 5 CEBDRO COC(OC)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922312458 643020038 /nfs/dbraw/zinc/02/00/38/643020038.db2.gz YYZJAHIYYBWIHC-JYKYSHPRSA-N 1 0 280.324 2.205 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877596121 650807007 /nfs/dbraw/zinc/80/70/07/650807007.db2.gz NJBUZKHHMWNBPD-BBCYWQGDSA-N 1 0 294.355 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(F)c1 ZINC000922719533 643228190 /nfs/dbraw/zinc/22/81/90/643228190.db2.gz ANFMNDIMFPXVRJ-SUHUHFCYSA-N 1 0 292.310 2.415 20 5 CEBDRO COC(CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000852038002 643272824 /nfs/dbraw/zinc/27/28/24/643272824.db2.gz GBVLKYZFRJUPKZ-UHFFFAOYSA-N 1 0 282.340 2.078 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CC=CC3)C2)c1 ZINC000877650891 650833965 /nfs/dbraw/zinc/83/39/65/650833965.db2.gz PFNCVIUWKXUHFV-UHFFFAOYSA-N 1 0 262.313 2.051 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922934579 643462811 /nfs/dbraw/zinc/46/28/11/643462811.db2.gz LXGSADFEOKDRSK-CYBMUJFWSA-N 1 0 294.351 2.107 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1F ZINC000852583564 643481777 /nfs/dbraw/zinc/48/17/77/643481777.db2.gz YDGOABCGTIHWOS-STQMWFEESA-N 1 0 280.299 2.127 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000877683598 650848791 /nfs/dbraw/zinc/84/87/91/650848791.db2.gz ZAWOXHKWCLRCLB-AMSCCUFHSA-N 1 0 288.347 2.150 20 5 CEBDRO C[C@@](CO)([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692318 650853679 /nfs/dbraw/zinc/85/36/79/650853679.db2.gz YFASDJFBUYOKRE-GJZGRUSLSA-N 1 0 292.335 2.085 20 5 CEBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000853203071 643701582 /nfs/dbraw/zinc/70/15/82/643701582.db2.gz JVKZPCZSJXEUNX-UHFFFAOYSA-N 1 0 293.371 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000923508241 643744480 /nfs/dbraw/zinc/74/44/80/643744480.db2.gz HLTVPNOERZBFOZ-JTNHKYCSSA-N 1 0 263.341 2.243 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)O ZINC000824921431 643789619 /nfs/dbraw/zinc/78/96/19/643789619.db2.gz LKMMJMWCWKJDAR-LDYMZIIASA-N 1 0 272.732 2.497 20 5 CEBDRO COC1([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000839659449 644765629 /nfs/dbraw/zinc/76/56/29/644765629.db2.gz DUXLRODHNIGLOL-RISCZKNCSA-N 1 0 294.351 2.175 20 5 CEBDRO CC1(C)C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843054547 644772529 /nfs/dbraw/zinc/77/25/29/644772529.db2.gz SCGSIXNWUASPQP-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(CC3CC3)C2)c1 ZINC000857211653 644848746 /nfs/dbraw/zinc/84/87/46/644848746.db2.gz CBQXSYBJSQTHFU-OAHLLOKOSA-N 1 0 276.336 2.360 20 5 CEBDRO [NH3+]CCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000857763351 644965333 /nfs/dbraw/zinc/96/53/33/644965333.db2.gz YTUYAZZANQXEFM-UHFFFAOYSA-N 1 0 298.318 2.375 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759072690 644983281 /nfs/dbraw/zinc/98/32/81/644983281.db2.gz VJCVKSNBWSHXMX-UONOGXRCSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859682192 645567499 /nfs/dbraw/zinc/56/74/99/645567499.db2.gz OHHCUQQTPALWQU-JTQLQIEISA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740238 645573470 /nfs/dbraw/zinc/57/34/70/645573470.db2.gz YVDFMJAFZCBRNV-GWCFXTLKSA-N 1 0 290.319 2.341 20 5 CEBDRO CC[NH+](CC)CCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000772161089 646600375 /nfs/dbraw/zinc/60/03/75/646600375.db2.gz UDWPGYIURRVPOG-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182144 646814824 /nfs/dbraw/zinc/81/48/24/646814824.db2.gz JAZBICRXFLHNST-JLTOFOAXSA-N 1 0 296.392 2.330 20 5 CEBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776578476 647072627 /nfs/dbraw/zinc/07/26/27/647072627.db2.gz GFPVSUYLVMIKGK-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO CCCC[N@H+](CCOC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581905 647073754 /nfs/dbraw/zinc/07/37/54/647073754.db2.gz IWXIAJBSIKNFPQ-HNNXBMFYSA-N 1 0 296.367 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865450581 647298929 /nfs/dbraw/zinc/29/89/29/647298929.db2.gz DZHXUSGPXLEZCH-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO CC[N@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)C(C)C ZINC000865499547 647327924 /nfs/dbraw/zinc/32/79/24/647327924.db2.gz KBCGKKPNSSCLPQ-UHFFFAOYSA-N 1 0 299.346 2.368 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2CCC=CO2)c([N+](=O)[O-])cc1O ZINC000780568131 647446754 /nfs/dbraw/zinc/44/67/54/647446754.db2.gz WNJFEERVXMRRGT-NSHDSACASA-N 1 0 294.307 2.091 20 5 CEBDRO Cc1ccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206063 647669800 /nfs/dbraw/zinc/66/98/00/647669800.db2.gz IYCXXVGQIQPMDI-OLZOCXBDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207423 647672179 /nfs/dbraw/zinc/67/21/79/647672179.db2.gz PDXBYHWPUKNRSR-UWVGGRQHSA-N 1 0 267.354 2.187 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267948 647705843 /nfs/dbraw/zinc/70/58/43/647705843.db2.gz JIGPHFNUTHHWFP-YGRLFVJLSA-N 1 0 284.331 2.271 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866349854 647750396 /nfs/dbraw/zinc/75/03/96/647750396.db2.gz PTCDFSKSXCYXPY-QWRGUYRKSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cncn1C ZINC000866359367 647754838 /nfs/dbraw/zinc/75/48/38/647754838.db2.gz PMBVYCPMACKVER-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726666 647885189 /nfs/dbraw/zinc/88/51/89/647885189.db2.gz YUBDGLIFGDFSJR-GXTWGEPZSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867941235 647995351 /nfs/dbraw/zinc/99/53/51/647995351.db2.gz DROCGFLFIRMKJK-HNNXBMFYSA-N 1 0 291.351 2.218 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000868008058 648019771 /nfs/dbraw/zinc/01/97/71/648019771.db2.gz AEFKJGMJQOMGKA-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488025 648193920 /nfs/dbraw/zinc/19/39/20/648193920.db2.gz GLQXCKLXOACTQG-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO NC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000789554394 648316228 /nfs/dbraw/zinc/31/62/28/648316228.db2.gz PNQWFCOQXLXZFN-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000790542707 648429217 /nfs/dbraw/zinc/42/92/17/648429217.db2.gz LNQLZXOHPCDYEO-ZDUSSCGKSA-N 1 0 291.351 2.002 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000792200381 648624693 /nfs/dbraw/zinc/62/46/93/648624693.db2.gz ICMUOKOOQIWFSI-PWSUYJOCSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024604 649244540 /nfs/dbraw/zinc/24/45/40/649244540.db2.gz UHVDNEMZPPKSCD-WDEREUQCSA-N 1 0 281.331 2.479 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043365 649252781 /nfs/dbraw/zinc/25/27/81/649252781.db2.gz XECKAHQKVFSHML-MWLCHTKSSA-N 1 0 270.304 2.401 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063380 649259369 /nfs/dbraw/zinc/25/93/69/649259369.db2.gz WCBNUIPUJQTSHT-SNVBAGLBSA-N 1 0 292.314 2.361 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077637 649264915 /nfs/dbraw/zinc/26/49/15/649264915.db2.gz KNSJSRJKSKVBLR-XPTSAGLGSA-N 1 0 295.314 2.053 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126003 649285190 /nfs/dbraw/zinc/28/51/90/649285190.db2.gz HBJGBPVETSRFCQ-NQBHXWOUSA-N 1 0 264.325 2.325 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127499 649286210 /nfs/dbraw/zinc/28/62/10/649286210.db2.gz VGSWACKJDLVLII-CKYFFXLPSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129529 649287191 /nfs/dbraw/zinc/28/71/91/649287191.db2.gz JUGLYUPGAQABLU-WZRBSPASSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202470 649313527 /nfs/dbraw/zinc/31/35/27/649313527.db2.gz JJRIRAILXBESQE-YPMHNXCESA-N 1 0 296.367 2.076 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCN(C)C1 ZINC000873020259 649533090 /nfs/dbraw/zinc/53/30/90/649533090.db2.gz LRYOWTJRVQVPRT-ZDUSSCGKSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1c(C[NH2+]CCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873048936 649544422 /nfs/dbraw/zinc/54/44/22/649544422.db2.gz SBCVWPRMUDBJFQ-ZDUSSCGKSA-N 1 0 294.351 2.046 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000873080778 649554112 /nfs/dbraw/zinc/55/41/12/649554112.db2.gz SFYWDOVREARCDK-BIBXISHDSA-N 1 0 298.408 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)OCCO ZINC000873127823 649564470 /nfs/dbraw/zinc/56/44/70/649564470.db2.gz XVCCYTZPPDCXKR-UHFFFAOYSA-N 1 0 296.367 2.089 20 5 CEBDRO CC(C)[C@@H](O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565492 651131916 /nfs/dbraw/zinc/13/19/16/651131916.db2.gz LSEGLJQMRXQSMN-HNNXBMFYSA-N 1 0 280.368 2.476 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000880134549 651388302 /nfs/dbraw/zinc/38/83/02/651388302.db2.gz TXEYSWGHABXBIA-LSDHHAIUSA-N 1 0 293.342 2.402 20 5 CEBDRO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000880135134 651389056 /nfs/dbraw/zinc/38/90/56/651389056.db2.gz ZWCRSXLNGBVXEB-HOTGVXAUSA-N 1 0 289.379 2.306 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000880143867 651392079 /nfs/dbraw/zinc/39/20/79/651392079.db2.gz RECBMTPEHBUTKZ-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC1([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000880185829 651397325 /nfs/dbraw/zinc/39/73/25/651397325.db2.gz DXPVQKWBFVLLJM-AWEZNQCLSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1c(C[N@@H+]2[C@H](C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880440798 651441664 /nfs/dbraw/zinc/44/16/64/651441664.db2.gz JHUTZIOJZVOZIE-ZWNOBZJWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881744602 651870969 /nfs/dbraw/zinc/87/09/69/651870969.db2.gz UHCIQCKHGZJHDR-UHFFFAOYSA-N 1 0 270.308 2.129 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881808753 651889394 /nfs/dbraw/zinc/88/93/94/651889394.db2.gz BXTRGSBUDZMJGY-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000882964249 652294260 /nfs/dbraw/zinc/29/42/60/652294260.db2.gz XPCYSTLNHFZCHE-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C=CCC1)OCCO2 ZINC000883238752 652410476 /nfs/dbraw/zinc/41/04/76/652410476.db2.gz LPEXOLMBXQIZRJ-LLVKDONJSA-N 1 0 290.319 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1 ZINC000883268958 652419084 /nfs/dbraw/zinc/41/90/84/652419084.db2.gz WZZADQYZIVAYRY-CQSZACIVSA-N 1 0 290.319 2.129 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507440 652432076 /nfs/dbraw/zinc/43/20/76/652432076.db2.gz LZGLTKXTMXIMDH-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442433 652471196 /nfs/dbraw/zinc/47/11/96/652471196.db2.gz LCNQDQUCKKYGTH-RYUDHWBXSA-N 1 0 283.759 2.464 20 5 CEBDRO CC[C@H](CSC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132646359 652542774 /nfs/dbraw/zinc/54/27/74/652542774.db2.gz OBBBORSKDMPFDZ-DGCLKSJQSA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCCC[NH3+])c1C ZINC000884375511 652822896 /nfs/dbraw/zinc/82/28/96/652822896.db2.gz CAAYUAWWZFHCGG-UHFFFAOYSA-N 1 0 293.367 2.461 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC000884521956 652897882 /nfs/dbraw/zinc/89/78/82/652897882.db2.gz LDMPSWCQLNVBQQ-NHAGDIPZSA-N 1 0 298.346 2.139 20 5 CEBDRO CC(C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000135227632 652953156 /nfs/dbraw/zinc/95/31/56/652953156.db2.gz OADSEXJTMUKYAV-UHFFFAOYSA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000884853157 652974871 /nfs/dbraw/zinc/97/48/71/652974871.db2.gz HEXXNQGAPBOAMM-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000721873799 806411776 /nfs/dbraw/zinc/41/17/76/806411776.db2.gz NINYJLVMQGPHMK-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721879449 806475357 /nfs/dbraw/zinc/47/53/57/806475357.db2.gz OLTGCWGHYYMDIY-GFCCVEGCSA-N 1 0 264.325 2.188 20 5 CEBDRO CCC(CC)N(CC)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167106906 802491608 /nfs/dbraw/zinc/49/16/08/802491608.db2.gz DDMVCCLYFUPFOZ-UHFFFAOYSA-N 1 0 293.371 2.087 20 5 CEBDRO Cc1cc(-n2ccc3cc(C[NH3+])cnc32)ncc1[N+](=O)[O-] ZINC001167311561 802672669 /nfs/dbraw/zinc/67/26/69/802672669.db2.gz QQCKVMYEPBDXDK-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000723038756 802789269 /nfs/dbraw/zinc/78/92/69/802789269.db2.gz ADALYYAEGLMVCC-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000724879750 803329956 /nfs/dbraw/zinc/32/99/56/803329956.db2.gz JBDTXVADAMHKKP-ZKYQVNSYSA-N 1 0 280.324 2.049 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218380303 803592191 /nfs/dbraw/zinc/59/21/91/803592191.db2.gz AAKDLGOALMXYHW-QUBYGPBYSA-N 1 0 276.214 2.353 20 5 CEBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218387092 803595789 /nfs/dbraw/zinc/59/57/89/803595789.db2.gz WZVAATYIRMEYCI-ZANVPECISA-N 1 0 258.277 2.487 20 5 CEBDRO CC[N@@H+]1CC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760584 804041669 /nfs/dbraw/zinc/04/16/69/804041669.db2.gz SAUJUOVFUXDGKH-GFCCVEGCSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226191523 805547852 /nfs/dbraw/zinc/54/78/52/805547852.db2.gz PJWKIUPJPGTLRP-QMMMGPOBSA-N 1 0 272.251 2.346 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001168415071 807243497 /nfs/dbraw/zinc/24/34/97/807243497.db2.gz AEXSNCRQXSDMIV-UHFFFAOYSA-N 1 0 299.212 2.083 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000699477215 807725627 /nfs/dbraw/zinc/72/56/27/807725627.db2.gz DZWRPXWWYNWAFT-CMPLNLGQSA-N 1 0 250.298 2.109 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000716828977 815152230 /nfs/dbraw/zinc/15/22/30/815152230.db2.gz KTQLLGXYKBQOOI-GXSJLCMTSA-N 1 0 270.304 2.373 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001120072936 815196494 /nfs/dbraw/zinc/19/64/94/815196494.db2.gz TUNXAQSZGZIWRH-OUAUKWLOSA-N 1 0 296.396 2.218 20 5 CEBDRO CCC1(Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168581106 808664404 /nfs/dbraw/zinc/66/44/04/808664404.db2.gz RORIOOWAWSNROX-UHFFFAOYSA-N 1 0 297.746 2.080 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700615013 809333409 /nfs/dbraw/zinc/33/34/09/809333409.db2.gz SPMKZQBIAAPFEQ-QWRGUYRKSA-N 1 0 297.742 2.104 20 5 CEBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000700628021 809333578 /nfs/dbraw/zinc/33/35/78/809333578.db2.gz XLEPSVCRVJVBFW-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000706543983 809834965 /nfs/dbraw/zinc/83/49/65/809834965.db2.gz NTAPVEMWGXBBKC-NXEZZACHSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706545504 809835181 /nfs/dbraw/zinc/83/51/81/809835181.db2.gz YIDUHHURFVTWKW-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000711081638 810013434 /nfs/dbraw/zinc/01/34/34/810013434.db2.gz CPBPNHNMDADGAS-AAEUAGOBSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000711366837 810063541 /nfs/dbraw/zinc/06/35/41/810063541.db2.gz JCGGGQFRTUFZCF-SNVBAGLBSA-N 1 0 277.324 2.087 20 5 CEBDRO CC(C)N(CCC[NH3+])c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001164122991 810295779 /nfs/dbraw/zinc/29/57/79/810295779.db2.gz UXNVCTKKCCLXLT-UHFFFAOYSA-N 1 0 273.283 2.437 20 5 CEBDRO C[NH2+]CCCCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001121897693 815365323 /nfs/dbraw/zinc/36/53/23/815365323.db2.gz ZAOMAUOERDQDRJ-LBPRGKRZSA-N 1 0 293.367 2.470 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001121936676 815368229 /nfs/dbraw/zinc/36/82/29/815368229.db2.gz GRRHYGMZALJCLB-SECBINFHSA-N 1 0 297.380 2.045 20 5 CEBDRO C[C@H](NC(=O)C12CCC(CC1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC001122166455 815389975 /nfs/dbraw/zinc/38/99/75/815389975.db2.gz KUVXUZNCMJOUBH-VLRKGOCCSA-N 1 0 289.335 2.057 20 5 CEBDRO CCOc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154990950 810895677 /nfs/dbraw/zinc/89/56/77/810895677.db2.gz ZJWWQKBZXSAFMT-VHSXEESVSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC001122511724 815420584 /nfs/dbraw/zinc/42/05/84/815420584.db2.gz ZVDXRIHNMNDKSI-ZDUSSCGKSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C1 ZINC001168977040 811307150 /nfs/dbraw/zinc/30/71/50/811307150.db2.gz HEHQTRQCKDEGIK-ZIAGYGMSSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC001168979521 811308146 /nfs/dbraw/zinc/30/81/46/811308146.db2.gz YZONGKQKZDKVLI-AAEUAGOBSA-N 1 0 282.315 2.240 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)N1O ZINC001168982798 811309880 /nfs/dbraw/zinc/30/98/80/811309880.db2.gz JAEZPNNPUDIQCM-WOPDTQHZSA-N 1 0 285.388 2.042 20 5 CEBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984774 811311577 /nfs/dbraw/zinc/31/15/77/811311577.db2.gz AGGZTZRYQKSTDZ-SYQHCUMBSA-N 1 0 298.383 2.001 20 5 CEBDRO COc1ccccc1OCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967178 811318331 /nfs/dbraw/zinc/31/83/31/811318331.db2.gz NWRQVMKNBCGUQN-STQMWFEESA-N 1 0 294.351 2.109 20 5 CEBDRO Cc1ccccc1OCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967564 811318830 /nfs/dbraw/zinc/31/88/30/811318830.db2.gz QUKQERSAUOFQQJ-ZIAGYGMSSA-N 1 0 278.352 2.409 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967479 811319314 /nfs/dbraw/zinc/31/93/14/811319314.db2.gz PWSCQMNZNZOVJS-MFKMUULPSA-N 1 0 280.299 2.043 20 5 CEBDRO [NH3+]Cc1ccc2nn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2c1 ZINC001168967921 811319748 /nfs/dbraw/zinc/31/97/48/811319748.db2.gz UQMUIJQTHSMEJV-WCQYABFASA-N 1 0 274.324 2.113 20 5 CEBDRO CCOc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168991555 811323858 /nfs/dbraw/zinc/32/38/58/811323858.db2.gz HKNDJIWNGIRULP-NWDGAFQWSA-N 1 0 279.340 2.015 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)C1 ZINC001168993583 811325190 /nfs/dbraw/zinc/32/51/90/811325190.db2.gz NKCMXIURYHUTLA-VNHYZAJKSA-N 1 0 290.363 2.273 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CCC2)C1 ZINC001168997435 811326279 /nfs/dbraw/zinc/32/62/79/811326279.db2.gz ZJRYGOMGUMDXDZ-UONOGXRCSA-N 1 0 292.383 2.218 20 5 CEBDRO Cc1cccnc1C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999070 811327267 /nfs/dbraw/zinc/32/72/67/811327267.db2.gz RSKDOSSKEOATRO-KGLIPLIRSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccncc32)C1 ZINC001169003509 811330048 /nfs/dbraw/zinc/33/00/48/811330048.db2.gz NVFPAANNZRHPRZ-ZLDLUXBVSA-N 1 0 275.352 2.494 20 5 CEBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001169005909 811330303 /nfs/dbraw/zinc/33/03/03/811330303.db2.gz VSBCSKDURFKDKP-ONGXEEELSA-N 1 0 267.304 2.142 20 5 CEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169013614 811335036 /nfs/dbraw/zinc/33/50/36/811335036.db2.gz VRMQTDKMAVUART-VWYCJHECSA-N 1 0 262.300 2.409 20 5 CEBDRO C[N@H+](Cc1cnc2ccccn12)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169012291 811335318 /nfs/dbraw/zinc/33/53/18/811335318.db2.gz OYIAASCMUYNFHJ-OLZOCXBDSA-N 1 0 288.351 2.212 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(OCc3ccccc3)C2)C1 ZINC001169027470 811340152 /nfs/dbraw/zinc/34/01/52/811340152.db2.gz QBENRFGDJNUXJU-LSDHHAIUSA-N 1 0 290.363 2.333 20 5 CEBDRO CC[N@H+](Cc1cccnc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033636 811346289 /nfs/dbraw/zinc/34/62/89/811346289.db2.gz CRHNTJAKVPZOIE-GXTWGEPZSA-N 1 0 263.341 2.349 20 5 CEBDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035160 811347158 /nfs/dbraw/zinc/34/71/58/811347158.db2.gz ATUWXBCVUAYGJR-ZOBORPQBSA-N 1 0 298.383 2.095 20 5 CEBDRO C[N@H+](CCc1ccncc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023249 811354772 /nfs/dbraw/zinc/35/47/72/811354772.db2.gz DTVKZASAYCWSTO-ZIAGYGMSSA-N 1 0 263.341 2.001 20 5 CEBDRO COCC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026574 811355180 /nfs/dbraw/zinc/35/51/80/811355180.db2.gz MYYCPJHDXJKOTQ-RDBSUJKOSA-N 1 0 270.373 2.323 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001169047919 811357103 /nfs/dbraw/zinc/35/71/03/811357103.db2.gz SNQHVMXQKLZINT-UONOGXRCSA-N 1 0 282.384 2.324 20 5 CEBDRO CCCC[N@H+](CC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049037 811357261 /nfs/dbraw/zinc/35/72/61/811357261.db2.gz VUJJLNHPHSSDEF-CHWSQXEVSA-N 1 0 286.372 2.097 20 5 CEBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC[C@H]1CCC[NH2+]1 ZINC001169563013 811567790 /nfs/dbraw/zinc/56/77/90/811567790.db2.gz QTKHSRVVGFIEBD-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO COc1ccc([N+](=O)[O-])nc1NC(C)(C)CC[NH+](C)C ZINC001169717481 811640440 /nfs/dbraw/zinc/64/04/40/811640440.db2.gz IOMOULSPQNWTKC-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO Cc1c(F)cnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169794582 811672134 /nfs/dbraw/zinc/67/21/34/811672134.db2.gz PUUIMTBEDKZYRF-UHFFFAOYSA-N 1 0 294.330 2.335 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170290996 812383913 /nfs/dbraw/zinc/38/39/13/812383913.db2.gz FWUHULBBVUOHFW-QWRGUYRKSA-N 1 0 282.340 2.159 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170290994 812383995 /nfs/dbraw/zinc/38/39/95/812383995.db2.gz FWUHULBBVUOHFW-GHMZBOCLSA-N 1 0 282.340 2.159 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC001170327414 812387447 /nfs/dbraw/zinc/38/74/47/812387447.db2.gz QQQDPRYISOWRMQ-NHYWBVRUSA-N 1 0 294.351 2.303 20 5 CEBDRO C[NH2+]CCN(c1nc(C)cc(C)c1[N+](=O)[O-])C(C)(C)C ZINC001157829283 812483902 /nfs/dbraw/zinc/48/39/02/812483902.db2.gz AZZNDMWOLFYHHE-UHFFFAOYSA-N 1 0 280.372 2.431 20 5 CEBDRO CC[C@@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157889138 812513736 /nfs/dbraw/zinc/51/37/36/812513736.db2.gz QZOPTDRKUCKUHL-NXEZZACHSA-N 1 0 293.371 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]1CO)CC2 ZINC001172902390 815540997 /nfs/dbraw/zinc/54/09/97/815540997.db2.gz BEHAIGUPHSHCLL-GDBMZVCRSA-N 1 0 290.363 2.299 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCF)c1F ZINC001173175793 815617109 /nfs/dbraw/zinc/61/71/09/815617109.db2.gz CYYJLNUYGUKUBS-QMMMGPOBSA-N 1 0 274.267 2.233 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCCC[NH3+] ZINC000698112006 814655803 /nfs/dbraw/zinc/65/58/03/814655803.db2.gz OKZQYAXJRJGRRI-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO CCN1CC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000712543873 814764776 /nfs/dbraw/zinc/76/47/76/814764776.db2.gz VHUSBWCIYDUWTP-MRVPVSSYSA-N 1 0 271.267 2.379 20 5 CEBDRO CCC1([NH3+])CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000714759740 814914042 /nfs/dbraw/zinc/91/40/42/814914042.db2.gz SAMXFLQAPZBPBM-UHFFFAOYSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173218944 815624751 /nfs/dbraw/zinc/62/47/51/815624751.db2.gz UKKKZLSKVYUTMH-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CO)CC1 ZINC001173221667 815626143 /nfs/dbraw/zinc/62/61/43/815626143.db2.gz LFFOHXLFJBMPIO-LBPRGKRZSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCOCC1 ZINC001173229425 815630682 /nfs/dbraw/zinc/63/06/82/815630682.db2.gz UUJXQYBEWHVFEU-GFCCVEGCSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](C)C1 ZINC001173226486 815630696 /nfs/dbraw/zinc/63/06/96/815630696.db2.gz MAPGQYVIZYNZBW-CHWSQXEVSA-N 1 0 278.352 2.494 20 5 CEBDRO CC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230350 815632205 /nfs/dbraw/zinc/63/22/05/815632205.db2.gz DXYYHXRPDWWBED-BXUZGUMPSA-N 1 0 276.336 2.437 20 5 CEBDRO CC(=O)C(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209509 815635261 /nfs/dbraw/zinc/63/52/61/815635261.db2.gz CJJLAOFEYLMBKF-SNVBAGLBSA-N 1 0 264.325 2.483 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001173213814 815636576 /nfs/dbraw/zinc/63/65/76/815636576.db2.gz KRXJVRQMWWQBPQ-OCCSQVGLSA-N 1 0 277.368 2.067 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001173214266 815636672 /nfs/dbraw/zinc/63/66/72/815636672.db2.gz AFFQBVSQSJEXCC-GLQYFDAESA-N 1 0 278.352 2.419 20 5 CEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001179310511 816848627 /nfs/dbraw/zinc/84/86/27/816848627.db2.gz VJYJXHJIGZTSSW-UHFFFAOYSA-N 1 0 297.274 2.077 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2cnc3cnccn23)cc1[N+](=O)[O-] ZINC001179390065 816859398 /nfs/dbraw/zinc/85/93/98/816859398.db2.gz BDUWOLQVDRPHIU-UHFFFAOYSA-N 1 0 297.318 2.236 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)C1CC1 ZINC000601291530 346813964 /nfs/dbraw/zinc/81/39/64/346813964.db2.gz LIAZBZXKCKIDQB-BYCMXARLSA-N 1 0 290.363 2.276 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H](O)C(F)F ZINC000601298715 346815206 /nfs/dbraw/zinc/81/52/06/346815206.db2.gz JKPMFSJJJOEDBP-JQWIXIFHSA-N 1 0 286.278 2.188 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108960 282102983 /nfs/dbraw/zinc/10/29/83/282102983.db2.gz UNHAKUNJWOBEAT-GFCCVEGCSA-N 1 0 288.351 2.321 20 5 CEBDRO CC[C@H]([NH2+]CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000034959137 361801681 /nfs/dbraw/zinc/80/16/81/361801681.db2.gz ZMLUNFIJYHEGHC-ZDUSSCGKSA-N 1 0 251.330 2.197 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327254 346822149 /nfs/dbraw/zinc/82/21/49/346822149.db2.gz MZQZXBAVKGJLAN-GVXVVHGQSA-N 1 0 261.325 2.010 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCO ZINC000449179601 282133209 /nfs/dbraw/zinc/13/32/09/282133209.db2.gz WSLDECOJMYJBAA-NWDGAFQWSA-N 1 0 266.341 2.134 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000125266775 187176853 /nfs/dbraw/zinc/17/68/53/187176853.db2.gz UTMUQRHPQINCNI-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959499 361875281 /nfs/dbraw/zinc/87/52/81/361875281.db2.gz IZYJSACYMIYFLE-NWDGAFQWSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449223884 282148039 /nfs/dbraw/zinc/14/80/39/282148039.db2.gz KTCGSNWFTQWCMF-NWDGAFQWSA-N 1 0 265.357 2.066 20 5 CEBDRO CC[C@@H](C)NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038014515 361981617 /nfs/dbraw/zinc/98/16/17/361981617.db2.gz LSHBVWRSHOVPHO-GFCCVEGCSA-N 1 0 293.367 2.032 20 5 CEBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000038014261 361981839 /nfs/dbraw/zinc/98/18/39/361981839.db2.gz WOUSEOOBDVNPEN-SECBINFHSA-N 1 0 285.369 2.051 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccn(C)n1 ZINC000449244797 282156411 /nfs/dbraw/zinc/15/64/11/282156411.db2.gz VWGXPWNSARNIPR-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCC2OCCO2)cc1[N+](=O)[O-] ZINC000125529970 187189769 /nfs/dbraw/zinc/18/97/69/187189769.db2.gz UFSHYMUGEXUZIN-NSHDSACASA-N 1 0 280.324 2.317 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000449290690 282174378 /nfs/dbraw/zinc/17/43/78/282174378.db2.gz HDKZJCOKJRPWIC-LBPRGKRZSA-N 1 0 266.341 2.278 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)c1 ZINC000080568605 344014360 /nfs/dbraw/zinc/01/43/60/344014360.db2.gz WPSJUAQTRNIUAL-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000080611267 344016570 /nfs/dbraw/zinc/01/65/70/344016570.db2.gz QNVWSYWZXHYBJE-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@H+](CC(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000042185585 362068140 /nfs/dbraw/zinc/06/81/40/362068140.db2.gz IDSNQRGBASEZON-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449431853 282234805 /nfs/dbraw/zinc/23/48/05/282234805.db2.gz ZJBRJZMCDGLMDA-MNOVXSKESA-N 1 0 270.354 2.249 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032662875 343414704 /nfs/dbraw/zinc/41/47/04/343414704.db2.gz XPNOHLZXZATDJY-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000034523767 343419928 /nfs/dbraw/zinc/41/99/28/343419928.db2.gz UQFXKDCPJMGIAE-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCn1ccnc1 ZINC000045105701 343480836 /nfs/dbraw/zinc/48/08/36/343480836.db2.gz UTFUSRVZNQFHJV-UHFFFAOYSA-N 1 0 274.324 2.361 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000045802200 343488899 /nfs/dbraw/zinc/48/88/99/343488899.db2.gz SLGCZRFXGKBWEO-GFCCVEGCSA-N 1 0 295.387 2.251 20 5 CEBDRO CC[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000043056626 343460125 /nfs/dbraw/zinc/46/01/25/343460125.db2.gz KWKDDGCPETXGIX-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000046444112 343499401 /nfs/dbraw/zinc/49/94/01/343499401.db2.gz FKRMOVWPELBHJE-CQSZACIVSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCO1 ZINC000295010008 199298004 /nfs/dbraw/zinc/29/80/04/199298004.db2.gz JKBRGNSVRVKDSW-CYBMUJFWSA-N 1 0 250.298 2.172 20 5 CEBDRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000057719424 343636738 /nfs/dbraw/zinc/63/67/38/343636738.db2.gz AIDUWRZAFHBZGT-JTQLQIEISA-N 1 0 291.351 2.116 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000057854455 343639194 /nfs/dbraw/zinc/63/91/94/343639194.db2.gz VBRWRLFSBBJVPY-UHFFFAOYSA-N 1 0 293.302 2.236 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000063465665 343677480 /nfs/dbraw/zinc/67/74/80/343677480.db2.gz XDMMSYSJAKBZPM-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000059394084 343652812 /nfs/dbraw/zinc/65/28/12/343652812.db2.gz YQTBTQOVMKFDDO-UHFFFAOYSA-N 1 0 261.325 2.127 20 5 CEBDRO Cn1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000128013924 187346632 /nfs/dbraw/zinc/34/66/32/187346632.db2.gz LOPXVMBTLAEAOX-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068782150 343773119 /nfs/dbraw/zinc/77/31/19/343773119.db2.gz IPNWXBXLOKTNKX-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449601995 282300459 /nfs/dbraw/zinc/30/04/59/282300459.db2.gz NYMWSZBPZOURLV-RDQDRAATSA-N 1 0 291.351 2.112 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128099199 187350802 /nfs/dbraw/zinc/35/08/02/187350802.db2.gz ZFAPQFFMNIIPDB-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411174163 529871381 /nfs/dbraw/zinc/87/13/81/529871381.db2.gz OFVMMFPDGBYJBQ-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174306 346988481 /nfs/dbraw/zinc/98/84/81/346988481.db2.gz TYAMHWHLGXEUQR-CHWSQXEVSA-N 1 0 291.351 2.053 20 5 CEBDRO CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676340 343861998 /nfs/dbraw/zinc/86/19/98/343861998.db2.gz YSSJITPLRRGQCJ-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000078379664 343950333 /nfs/dbraw/zinc/95/03/33/343950333.db2.gz RKJDYWCAAUKCFR-OAHLLOKOSA-N 1 0 293.367 2.364 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078562636 343957168 /nfs/dbraw/zinc/95/71/68/343957168.db2.gz LGTUJZVMYUKOHM-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1cnc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630929 343959443 /nfs/dbraw/zinc/95/94/43/343959443.db2.gz WBYAVXJDTCULPN-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090909826 344145809 /nfs/dbraw/zinc/14/58/09/344145809.db2.gz LTPMIIIDTIOKJD-AWEZNQCLSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000096848056 344242452 /nfs/dbraw/zinc/24/24/52/344242452.db2.gz DMVAMEPNBGDTLZ-INIZCTEOSA-N 1 0 298.346 2.333 20 5 CEBDRO Cc1c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541256 344337305 /nfs/dbraw/zinc/33/73/05/344337305.db2.gz VXYOEGPDXSHMDP-STQMWFEESA-N 1 0 264.325 2.152 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449709844 282337258 /nfs/dbraw/zinc/33/72/58/282337258.db2.gz KKDTZICWPHPXMB-BDAKNGLRSA-N 1 0 297.742 2.105 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000130439735 344352801 /nfs/dbraw/zinc/35/28/01/344352801.db2.gz NZOOACPHRWAWQT-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO C[N@H+](CCCN1CCCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000139790223 344395889 /nfs/dbraw/zinc/39/58/89/344395889.db2.gz CKQJBBOXMVIPQY-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000146361989 344410403 /nfs/dbraw/zinc/41/04/03/344410403.db2.gz NQVLHJIYOQBTOM-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161560842 344464671 /nfs/dbraw/zinc/46/46/71/344464671.db2.gz JKZZDQAHGAOBAI-MWLCHTKSSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163080 362407132 /nfs/dbraw/zinc/40/71/32/362407132.db2.gz YHGLPXGVXAFVSY-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227535221 344554262 /nfs/dbraw/zinc/55/42/62/344554262.db2.gz GPPSUXDGOQVRIU-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc(C[NH2+]CC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000227769423 344556390 /nfs/dbraw/zinc/55/63/90/344556390.db2.gz QYJRARUFKWQELB-UHFFFAOYSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000227751624 344556410 /nfs/dbraw/zinc/55/64/10/344556410.db2.gz QOHTWXZAHRIEMP-UKRRQHHQSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)C1 ZINC000602483768 347055325 /nfs/dbraw/zinc/05/53/25/347055325.db2.gz LCZFKEOLPPTPQR-WDEREUQCSA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503416 347059340 /nfs/dbraw/zinc/05/93/40/347059340.db2.gz IWKRUMCOFCUOJQ-NSHDSACASA-N 1 0 278.356 2.347 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000278949993 344672814 /nfs/dbraw/zinc/67/28/14/344672814.db2.gz YSGZIWOAKXSHMZ-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602516319 347063793 /nfs/dbraw/zinc/06/37/93/347063793.db2.gz YQKMFUTUDGQOLW-VXGBXAGGSA-N 1 0 290.367 2.204 20 5 CEBDRO COc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000313138128 344741453 /nfs/dbraw/zinc/74/14/53/344741453.db2.gz QTWSGCMJKDLPSK-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO CCN(CC[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000602534800 347069658 /nfs/dbraw/zinc/06/96/58/347069658.db2.gz KFURAAFYGSOQKG-UHFFFAOYSA-N 1 0 293.367 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000292980267 344690138 /nfs/dbraw/zinc/69/01/38/344690138.db2.gz BHGNSSDNFMPWTJ-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO [NH3+][C@H]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000321898874 344753101 /nfs/dbraw/zinc/75/31/01/344753101.db2.gz MULAPNSQLLHICR-ZKCHVHJHSA-N 1 0 270.720 2.325 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602556466 347075516 /nfs/dbraw/zinc/07/55/16/347075516.db2.gz UMXRUJUHXARVMH-MFKMUULPSA-N 1 0 291.351 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000602569240 347081932 /nfs/dbraw/zinc/08/19/32/347081932.db2.gz PRKCTIQSSQXIBI-IRXDYDNUSA-N 1 0 298.342 2.385 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401163212 344867001 /nfs/dbraw/zinc/86/70/01/344867001.db2.gz MTNDUCPONLBLLM-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402270394 344872321 /nfs/dbraw/zinc/87/23/21/344872321.db2.gz DLQZGIACANENLU-JQWIXIFHSA-N 1 0 250.298 2.170 20 5 CEBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000127282534 187294120 /nfs/dbraw/zinc/29/41/20/187294120.db2.gz LSBBKOYNUOHCTR-AAEUAGOBSA-N 1 0 293.367 2.421 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000588817909 345055730 /nfs/dbraw/zinc/05/57/30/345055730.db2.gz DHGXQBBMRZAMPS-LBPRGKRZSA-N 1 0 293.371 2.016 20 5 CEBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000589747952 345097135 /nfs/dbraw/zinc/09/71/35/345097135.db2.gz ZIMPTJNRTXBGGV-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590012834 345110235 /nfs/dbraw/zinc/11/02/35/345110235.db2.gz ZLIZBBQDBSBFLH-UKRRQHHQSA-N 1 0 275.352 2.039 20 5 CEBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591428489 345251260 /nfs/dbraw/zinc/25/12/60/345251260.db2.gz OVLCSOYYWCHMDT-CMPLNLGQSA-N 1 0 286.335 2.317 20 5 CEBDRO Cc1cccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591436517 345253842 /nfs/dbraw/zinc/25/38/42/345253842.db2.gz BDUIALWVGAIXRH-NEPJUHHUSA-N 1 0 261.325 2.091 20 5 CEBDRO COc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591440673 345255232 /nfs/dbraw/zinc/25/52/32/345255232.db2.gz DWUFYQUFUUYYDQ-OAHLLOKOSA-N 1 0 291.351 2.183 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1(C)C ZINC000591677768 345273687 /nfs/dbraw/zinc/27/36/87/345273687.db2.gz CKZBGFBQEZNDEP-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000591678385 345273924 /nfs/dbraw/zinc/27/39/24/345273924.db2.gz SAPQLTOMBUCTLK-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000591757333 345277961 /nfs/dbraw/zinc/27/79/61/345277961.db2.gz OCTJTYAEBPYWFG-DGCLKSJQSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000592438848 345353673 /nfs/dbraw/zinc/35/36/73/345353673.db2.gz PLSMRPMRDKFJIX-NSHDSACASA-N 1 0 281.381 2.421 20 5 CEBDRO CC(C)([NH3+])CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592539913 345368966 /nfs/dbraw/zinc/36/89/66/345368966.db2.gz VBQBSNAIWYBORZ-UHFFFAOYSA-N 1 0 293.367 2.464 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(C[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000592158507 345332542 /nfs/dbraw/zinc/33/25/42/345332542.db2.gz JUMKLUOXOSGXIZ-LLVKDONJSA-N 1 0 272.308 2.068 20 5 CEBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000127403190 187302838 /nfs/dbraw/zinc/30/28/38/187302838.db2.gz DHJGYXZOURRJKT-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593070927 345432857 /nfs/dbraw/zinc/43/28/57/345432857.db2.gz YHWZPFSWQNHTBY-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CCc1nn(C)c(NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593479387 345494335 /nfs/dbraw/zinc/49/43/35/345494335.db2.gz CNMFOAXZSNYUAS-UHFFFAOYSA-N 1 0 297.403 2.281 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593693772 345522529 /nfs/dbraw/zinc/52/25/29/345522529.db2.gz CUFYQFMANMNBHT-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593722030 345527233 /nfs/dbraw/zinc/52/72/33/345527233.db2.gz GMUDOPXUXJFZIP-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127449961 187306885 /nfs/dbraw/zinc/30/68/85/187306885.db2.gz ZHLYGUJPAKBDEH-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594600460 345657173 /nfs/dbraw/zinc/65/71/73/345657173.db2.gz LJVGODVRDUISFQ-NEPJUHHUSA-N 1 0 293.371 2.066 20 5 CEBDRO C[C@@H](O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613151 345661795 /nfs/dbraw/zinc/66/17/95/345661795.db2.gz ABMDTWDMIOAGOZ-FVOPLDGLSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594506574 345639678 /nfs/dbraw/zinc/63/96/78/345639678.db2.gz CFWIOCFFWFIHPU-OBEQPXDXSA-N 1 0 274.320 2.492 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC([NH+](C)C)CC1 ZINC000594544679 345645399 /nfs/dbraw/zinc/64/53/99/345645399.db2.gz VIQRRJGWBQMWHL-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599917 345656473 /nfs/dbraw/zinc/65/64/73/345656473.db2.gz KFNCHINTIGEISU-VXGBXAGGSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000059035277 362646113 /nfs/dbraw/zinc/64/61/13/362646113.db2.gz NMNHGCLMBWICFW-SNVBAGLBSA-N 1 0 265.288 2.383 20 5 CEBDRO [NH3+]C1(CNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC000594738119 345682600 /nfs/dbraw/zinc/68/26/00/345682600.db2.gz IBFBRZRJKIUCQR-UHFFFAOYSA-N 1 0 255.343 2.017 20 5 CEBDRO Cc1c(NC(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595230011 345746530 /nfs/dbraw/zinc/74/65/30/345746530.db2.gz KTCKEWYOGXYRIH-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC=CC3)CC2)cn1 ZINC000595287859 345754571 /nfs/dbraw/zinc/75/45/71/345754571.db2.gz NZUVNIPGGIXNEL-UHFFFAOYSA-N 1 0 288.351 2.078 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312417 345760141 /nfs/dbraw/zinc/76/01/41/345760141.db2.gz MLYAURMZMOIIMS-GWCFXTLKSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920778 345702042 /nfs/dbraw/zinc/70/20/42/345702042.db2.gz AJGAEJFQOURYFX-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000594929451 345706430 /nfs/dbraw/zinc/70/64/30/345706430.db2.gz JYVJVNRBWJZQGD-QWHCGFSZSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000594970142 345719703 /nfs/dbraw/zinc/71/97/03/345719703.db2.gz CUISKEPGLQQSKC-GFCCVEGCSA-N 1 0 286.278 2.417 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)[NH+](C)C ZINC000595012076 345726960 /nfs/dbraw/zinc/72/69/60/345726960.db2.gz NDBFUOSPMSIVEJ-QWRGUYRKSA-N 1 0 281.356 2.204 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000595039223 345732929 /nfs/dbraw/zinc/73/29/29/345732929.db2.gz DODVGIOHIMQYAJ-XSRFYTQQSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCO ZINC000595052458 345735545 /nfs/dbraw/zinc/73/55/45/345735545.db2.gz XIJOVTOISSDNHW-JTQLQIEISA-N 1 0 268.313 2.027 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCCO ZINC000595055801 345735887 /nfs/dbraw/zinc/73/58/87/345735887.db2.gz ZTWHCYWPUFSAGB-NSHDSACASA-N 1 0 282.340 2.417 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056637 345736131 /nfs/dbraw/zinc/73/61/31/345736131.db2.gz OTIOMJFOALQJFG-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329915 345763364 /nfs/dbraw/zinc/76/33/64/345763364.db2.gz DTTUAGVVQXNCPI-LBPRGKRZSA-N 1 0 296.371 2.055 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000595471911 345790981 /nfs/dbraw/zinc/79/09/81/345790981.db2.gz GQQVOUAFXJDNNX-GFCCVEGCSA-N 1 0 295.339 2.330 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000595470072 345791539 /nfs/dbraw/zinc/79/15/39/345791539.db2.gz LWDUQPXUQLMWBU-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595598809 345822030 /nfs/dbraw/zinc/82/20/30/345822030.db2.gz GXISXVLXLPDRAM-OLZOCXBDSA-N 1 0 296.367 2.455 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595529518 345804182 /nfs/dbraw/zinc/80/41/82/345804182.db2.gz JOFLBODYFORXCR-UHFFFAOYSA-N 1 0 297.330 2.192 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595829893 345888079 /nfs/dbraw/zinc/88/80/79/345888079.db2.gz JISYPWGZCMPXHR-QWHCGFSZSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(COC2)C1 ZINC000595835686 345892375 /nfs/dbraw/zinc/89/23/75/345892375.db2.gz VWOODUBBKQJSJM-LLVKDONJSA-N 1 0 262.309 2.378 20 5 CEBDRO Cc1c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750157 345865676 /nfs/dbraw/zinc/86/56/76/345865676.db2.gz PICNAMYPJGELME-QWRGUYRKSA-N 1 0 278.352 2.352 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595767147 345871413 /nfs/dbraw/zinc/87/14/13/345871413.db2.gz VJBQGKFGTAGLCV-NOZJJQNGSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC(F)CC1 ZINC000595819404 345885765 /nfs/dbraw/zinc/88/57/65/345885765.db2.gz PDYBHTGBPRNICD-UNXYVOJBSA-N 1 0 284.335 2.298 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595819354 345885971 /nfs/dbraw/zinc/88/59/71/345885971.db2.gz OLURWBYZBWEUKV-UNXYVOJBSA-N 1 0 284.335 2.298 20 5 CEBDRO CCn1nccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000596062358 345931096 /nfs/dbraw/zinc/93/10/96/345931096.db2.gz PRJOFYLTRSNDGT-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595943248 345916793 /nfs/dbraw/zinc/91/67/93/345916793.db2.gz ICGFSRASPFAURT-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595983501 345921294 /nfs/dbraw/zinc/92/12/94/345921294.db2.gz PMEKOBGXPXURQR-JTQLQIEISA-N 1 0 293.367 2.230 20 5 CEBDRO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596069371 345932365 /nfs/dbraw/zinc/93/23/65/345932365.db2.gz FJMPBCYNLGYFLB-LBPRGKRZSA-N 1 0 294.355 2.228 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000596108894 345941393 /nfs/dbraw/zinc/94/13/93/345941393.db2.gz QCLWOUQZQJKCKI-UHFFFAOYSA-N 1 0 281.743 2.090 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596122701 345945165 /nfs/dbraw/zinc/94/51/65/345945165.db2.gz BFOCEWOPVPSBIQ-CQSZACIVSA-N 1 0 292.339 2.031 20 5 CEBDRO C[C@H](CCNc1nccc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000596430195 346021492 /nfs/dbraw/zinc/02/14/92/346021492.db2.gz JWNSOZSJXUESOK-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000596309282 345995865 /nfs/dbraw/zinc/99/58/65/345995865.db2.gz XNAVMYYZGPKXKV-JTQLQIEISA-N 1 0 264.329 2.275 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000596334554 346002305 /nfs/dbraw/zinc/00/23/05/346002305.db2.gz CEPSQAAMGKFGJK-JTQLQIEISA-N 1 0 264.329 2.275 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000596452467 346027711 /nfs/dbraw/zinc/02/77/11/346027711.db2.gz DZFHUMLZBCZQQU-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596454236 346028134 /nfs/dbraw/zinc/02/81/34/346028134.db2.gz QTVATVKCEGKPSU-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCCc3n[nH]cc3C2)c(F)c1 ZINC000596597502 346062903 /nfs/dbraw/zinc/06/29/03/346062903.db2.gz UQIXJSJCLLHFBJ-UHFFFAOYSA-N 1 0 290.298 2.405 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117692 346130555 /nfs/dbraw/zinc/13/05/55/346130555.db2.gz PZUHWCYCNNWAFI-ONGXEEELSA-N 1 0 290.323 2.128 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117691 346130795 /nfs/dbraw/zinc/13/07/95/346130795.db2.gz PZUHWCYCNNWAFI-MWLCHTKSSA-N 1 0 290.323 2.128 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000597212332 346150005 /nfs/dbraw/zinc/15/00/05/346150005.db2.gz UNWHLEXDIKRFQJ-DZGCQCFKSA-N 1 0 276.336 2.372 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597223406 346153854 /nfs/dbraw/zinc/15/38/54/346153854.db2.gz NOVPNJHNGWUAMF-QWRGUYRKSA-N 1 0 292.335 2.454 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602586337 347089159 /nfs/dbraw/zinc/08/91/59/347089159.db2.gz QHBHATCYPPTZCC-HNNXBMFYSA-N 1 0 294.351 2.126 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602586497 347089398 /nfs/dbraw/zinc/08/93/98/347089398.db2.gz RVALRWFHNXFWJY-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)F ZINC000295130721 199362188 /nfs/dbraw/zinc/36/21/88/199362188.db2.gz YAPSPAWBPYHJOE-NWDGAFQWSA-N 1 0 288.294 2.397 20 5 CEBDRO CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000597947237 346255917 /nfs/dbraw/zinc/25/59/17/346255917.db2.gz WJRHRJHMPISIEV-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682511 346400257 /nfs/dbraw/zinc/40/02/57/346400257.db2.gz OAJHYZVNBZZROJ-DZGCQCFKSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598647566 346392241 /nfs/dbraw/zinc/39/22/41/346392241.db2.gz OUHWSWJOJDOWCW-CMPLNLGQSA-N 1 0 282.315 2.184 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598646420 346392261 /nfs/dbraw/zinc/39/22/61/346392261.db2.gz URLPRJJDTFIPHW-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000599015770 346445882 /nfs/dbraw/zinc/44/58/82/346445882.db2.gz OSJKPELRWGSOQR-SKTRJTJASA-N 1 0 262.309 2.375 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCN1C ZINC000599014705 346446420 /nfs/dbraw/zinc/44/64/20/346446420.db2.gz USNOXUNRZMOOLW-AWEZNQCLSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915161 346433327 /nfs/dbraw/zinc/43/33/27/346433327.db2.gz JALFEVSRQMKMAG-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598996343 346444052 /nfs/dbraw/zinc/44/40/52/346444052.db2.gz GSBVUCPNYHCYMQ-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO C/C=C/C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599080620 346457082 /nfs/dbraw/zinc/45/70/82/346457082.db2.gz IAHVLXZMCLGQQN-UFFNRZRYSA-N 1 0 277.324 2.478 20 5 CEBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596136 347093131 /nfs/dbraw/zinc/09/31/31/347093131.db2.gz HOJVBYFLNDGTTA-RISCZKNCSA-N 1 0 278.356 2.340 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCC2 ZINC000602596209 347093311 /nfs/dbraw/zinc/09/33/11/347093311.db2.gz NOAJUVIJWBJIPK-NSHDSACASA-N 1 0 278.356 2.340 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602600422 347094957 /nfs/dbraw/zinc/09/49/57/347094957.db2.gz WTXWCIXGLKNZLX-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000602598952 347094524 /nfs/dbraw/zinc/09/45/24/347094524.db2.gz LYQCLBKLIQYXSH-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000129147087 365830039 /nfs/dbraw/zinc/83/00/39/365830039.db2.gz KYIWKSNYLKBEHN-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(F)c1 ZINC000600678600 346672066 /nfs/dbraw/zinc/67/20/66/346672066.db2.gz MBSXWQZDZFGOJT-CYBMUJFWSA-N 1 0 279.315 2.108 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000600883744 346703561 /nfs/dbraw/zinc/70/35/61/346703561.db2.gz AQZVWIWPVMXRCV-MWLCHTKSSA-N 1 0 296.758 2.222 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442269 187371100 /nfs/dbraw/zinc/37/11/00/187371100.db2.gz FRCICQXVBHXTTQ-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601139979 346766996 /nfs/dbraw/zinc/76/69/96/346766996.db2.gz OMXAUBNQAHECFB-SNVBAGLBSA-N 1 0 258.343 2.297 20 5 CEBDRO O=[N+]([O-])c1sccc1N[C@H]1CCc2nc[nH]c2C1 ZINC000601166656 346775150 /nfs/dbraw/zinc/77/51/50/346775150.db2.gz RDJKRHVXGIORSX-ZETCQYMHSA-N 1 0 264.310 2.349 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCO)c(F)c1 ZINC000336813838 365854787 /nfs/dbraw/zinc/85/47/87/365854787.db2.gz VQBBOBIEJXEVGS-LLVKDONJSA-N 1 0 268.288 2.081 20 5 CEBDRO CC(C)n1ncnc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000601108550 346754808 /nfs/dbraw/zinc/75/48/08/346754808.db2.gz IUHLBETVBCFNFA-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC([NH+]4CCCC4)C3)c2c1 ZINC000601194392 346783693 /nfs/dbraw/zinc/78/36/93/346783693.db2.gz ZWWXVYYTUMUNRH-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000602651611 347123893 /nfs/dbraw/zinc/12/38/93/347123893.db2.gz JZEQKAPRGLUKOO-UHFFFAOYSA-N 1 0 290.363 2.496 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)(C)C ZINC000602678777 347139845 /nfs/dbraw/zinc/13/98/45/347139845.db2.gz YXQQOJXKFQIDBU-UHFFFAOYSA-N 1 0 254.334 2.196 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000129583277 365873307 /nfs/dbraw/zinc/87/33/07/365873307.db2.gz OKLZARQMFXSMFS-MRVPVSSYSA-N 1 0 271.292 2.010 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C/C=C/CO ZINC000602711321 347164995 /nfs/dbraw/zinc/16/49/95/347164995.db2.gz RBYMGWUYFQAYRT-OWOJBTEDSA-N 1 0 290.241 2.252 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776041 347193291 /nfs/dbraw/zinc/19/32/91/347193291.db2.gz OHNVRQYKDMTMFL-NXEZZACHSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000602786578 347197917 /nfs/dbraw/zinc/19/79/17/347197917.db2.gz RIYUTSYBJKSKNU-MNOVXSKESA-N 1 0 266.345 2.220 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796764 347202559 /nfs/dbraw/zinc/20/25/59/347202559.db2.gz CSFMGCJSGUOFOZ-IAZYJMLFSA-N 1 0 266.345 2.243 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802043 347204963 /nfs/dbraw/zinc/20/49/63/347204963.db2.gz OLDDZYCZLJZUAU-GXFFZTMASA-N 1 0 287.323 2.024 20 5 CEBDRO Cn1cc(C[NH2+]C(C)(C)c2cccs2)c([N+](=O)[O-])n1 ZINC000602810509 347209236 /nfs/dbraw/zinc/20/92/36/347209236.db2.gz MEUNPJYWRCTYEC-UHFFFAOYSA-N 1 0 280.353 2.415 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813979 347210991 /nfs/dbraw/zinc/21/09/91/347210991.db2.gz AYUUVLXCUWWVKP-VWYCJHECSA-N 1 0 266.345 2.195 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738246 347180327 /nfs/dbraw/zinc/18/03/27/347180327.db2.gz CBQFKFPODUKHCB-OAHLLOKOSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H](C)C1 ZINC000602817366 347212004 /nfs/dbraw/zinc/21/20/04/347212004.db2.gz JURMRKVDLUQPQX-LLVKDONJSA-N 1 0 266.345 2.222 20 5 CEBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829475 347216786 /nfs/dbraw/zinc/21/67/86/347216786.db2.gz JDSROHXQIYILQY-NWDGAFQWSA-N 1 0 298.412 2.364 20 5 CEBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602844052 347221782 /nfs/dbraw/zinc/22/17/82/347221782.db2.gz YKHDKWXBSHPWSW-GWCFXTLKSA-N 1 0 266.345 2.387 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982685 179210125 /nfs/dbraw/zinc/21/01/25/179210125.db2.gz HICNWSVICORTIO-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220316 347312570 /nfs/dbraw/zinc/31/25/70/347312570.db2.gz SRCZIOMBZYUQIL-ZJUUUORDSA-N 1 0 275.312 2.076 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC000603405479 347361058 /nfs/dbraw/zinc/36/10/58/347361058.db2.gz JFULLYHLFOYDLD-GHMZBOCLSA-N 1 0 264.329 2.130 20 5 CEBDRO CCC[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603872516 347394094 /nfs/dbraw/zinc/39/40/94/347394094.db2.gz VGFJSYJKNSUIJW-UHFFFAOYSA-N 1 0 277.368 2.165 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000568511455 299141156 /nfs/dbraw/zinc/14/11/56/299141156.db2.gz MUCYGVCGDJBMBH-ZJUUUORDSA-N 1 0 280.328 2.151 20 5 CEBDRO CN1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836138 347622584 /nfs/dbraw/zinc/62/25/84/347622584.db2.gz SBZLAYQSWKKYQX-GBXSZLQWSA-N 1 0 275.352 2.292 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609508229 347640965 /nfs/dbraw/zinc/64/09/65/347640965.db2.gz GFZRAJAJPRLLCO-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000610585342 347694385 /nfs/dbraw/zinc/69/43/85/347694385.db2.gz LFFZYBJBAOJSFG-RISCZKNCSA-N 1 0 262.309 2.458 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610655625 347698684 /nfs/dbraw/zinc/69/86/84/347698684.db2.gz CRZNCFDCAPGCHB-LBPRGKRZSA-N 1 0 266.345 2.364 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000610715935 347705955 /nfs/dbraw/zinc/70/59/55/347705955.db2.gz GVUIXTJDMQBHHT-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000610717848 347706662 /nfs/dbraw/zinc/70/66/62/347706662.db2.gz VSPBZCMRDUWZFP-PKXJPQMGSA-N 1 0 298.346 2.478 20 5 CEBDRO Cc1cnc(N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000610283967 347669478 /nfs/dbraw/zinc/66/94/78/347669478.db2.gz FDEIEGDIHZJRFF-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000610283988 347669671 /nfs/dbraw/zinc/66/96/71/347669671.db2.gz MHDUKFNAVGRQCF-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612135270 347848331 /nfs/dbraw/zinc/84/83/31/347848331.db2.gz YELKZMNGMHDUPR-REJLFOLJSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086467286 179297391 /nfs/dbraw/zinc/29/73/91/179297391.db2.gz ZHIJXTVRWOMMDA-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H](F)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872612 219233603 /nfs/dbraw/zinc/23/36/03/219233603.db2.gz FCSYHBWEWLHABR-MNOVXSKESA-N 1 0 282.319 2.224 20 5 CEBDRO C[NH+](C)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000617428823 348704468 /nfs/dbraw/zinc/70/44/68/348704468.db2.gz WHBGZCPAEQOTFJ-UHFFFAOYSA-N 1 0 289.339 2.002 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089107448 179703931 /nfs/dbraw/zinc/70/39/31/179703931.db2.gz ZSCYKRYESUXWRY-RISCZKNCSA-N 1 0 291.351 2.151 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000619498403 349188653 /nfs/dbraw/zinc/18/86/53/349188653.db2.gz SWCKJNVLDZIMHM-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000619567064 349199869 /nfs/dbraw/zinc/19/98/69/349199869.db2.gz MKMVFPBEOBDDRA-NSHDSACASA-N 1 0 297.380 2.213 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000090554567 180002711 /nfs/dbraw/zinc/00/27/11/180002711.db2.gz QPYQPOPPMBPYPE-UHFFFAOYSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1cnc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090692213 180024520 /nfs/dbraw/zinc/02/45/20/180024520.db2.gz SKXGRRXDACSPKJ-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1cnc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000090692232 180024641 /nfs/dbraw/zinc/02/46/41/180024641.db2.gz LCCZUTFVBPLBHR-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412087504 233334252 /nfs/dbraw/zinc/33/42/52/233334252.db2.gz OZIPSENTVWDVDX-DGCLKSJQSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H](CNCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000105489221 186060340 /nfs/dbraw/zinc/06/03/40/186060340.db2.gz YTQYPBOXPIKYGU-NSHDSACASA-N 1 0 263.341 2.167 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC([NH3+])CC1 ZINC000091844985 180268747 /nfs/dbraw/zinc/26/87/47/180268747.db2.gz ZGGZFHKWRBUYPD-UHFFFAOYSA-N 1 0 295.314 2.076 20 5 CEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000339713243 215311475 /nfs/dbraw/zinc/31/14/75/215311475.db2.gz VLJHFTXCKLDXSO-QWHCGFSZSA-N 1 0 278.356 2.302 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352186733 219350498 /nfs/dbraw/zinc/35/04/98/219350498.db2.gz NMSQJWQWTQINOE-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[NH2+]C1 ZINC000110792871 186325583 /nfs/dbraw/zinc/32/55/83/186325583.db2.gz GVCMWJVOQCXPJR-LLVKDONJSA-N 1 0 264.329 2.100 20 5 CEBDRO Cc1c(C(=O)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000070187550 363049908 /nfs/dbraw/zinc/04/99/08/363049908.db2.gz HDWNUMINMPRFQE-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070170079 363043629 /nfs/dbraw/zinc/04/36/29/363043629.db2.gz UTOPFCIBRGZRQN-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070172736 363046407 /nfs/dbraw/zinc/04/64/07/363046407.db2.gz FECSELBOADMUMA-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070173385 363047480 /nfs/dbraw/zinc/04/74/80/363047480.db2.gz OOCXDYTUDCGWDR-MNOVXSKESA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000291654574 198051759 /nfs/dbraw/zinc/05/17/59/198051759.db2.gz CECRIHUMUFNZJC-SECBINFHSA-N 1 0 255.293 2.344 20 5 CEBDRO COc1cc(C[N@H+](C)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000122914621 187059645 /nfs/dbraw/zinc/05/96/45/187059645.db2.gz QAWDHQKMLFXXRI-UHFFFAOYSA-N 1 0 280.324 2.454 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070573916 363096662 /nfs/dbraw/zinc/09/66/62/363096662.db2.gz TWPXREBAJKNYLO-WDEREUQCSA-N 1 0 277.324 2.359 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291936140 198110602 /nfs/dbraw/zinc/11/06/02/198110602.db2.gz TVXHLJYDMHBMID-CABCVRRESA-N 1 0 294.351 2.128 20 5 CEBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291933975 198110723 /nfs/dbraw/zinc/11/07/23/198110723.db2.gz SOEDMBMRFITZPN-SNVBAGLBSA-N 1 0 267.329 2.213 20 5 CEBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000292005138 198132040 /nfs/dbraw/zinc/13/20/40/198132040.db2.gz COLOXBXRZMMLFU-NSHDSACASA-N 1 0 289.335 2.016 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000072782164 363165159 /nfs/dbraw/zinc/16/51/59/363165159.db2.gz QJADGNSDVQUFBT-NSHDSACASA-N 1 0 295.339 2.182 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897140 363179826 /nfs/dbraw/zinc/17/98/26/363179826.db2.gz QDXLEHAUJZQPRJ-MNOVXSKESA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494206627 290961455 /nfs/dbraw/zinc/96/14/55/290961455.db2.gz YIFPJYOILWMDDN-FZMZJTMJSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000134507816 187754878 /nfs/dbraw/zinc/75/48/78/187754878.db2.gz PGSNDHIXMDHBAI-NEPJUHHUSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135222157 187808717 /nfs/dbraw/zinc/80/87/17/187808717.db2.gz PFJMXWAFHYIUDX-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO CO[C@@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292235763 198212200 /nfs/dbraw/zinc/21/22/00/198212200.db2.gz WFSYHHVXZSTMFX-JTQLQIEISA-N 1 0 252.314 2.454 20 5 CEBDRO COc1cccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000271654980 191262452 /nfs/dbraw/zinc/26/24/52/191262452.db2.gz JVFOJYFEJBSAJH-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152318674 188009824 /nfs/dbraw/zinc/00/98/24/188009824.db2.gz RPLRYHQVXGWFPP-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153622575 188093604 /nfs/dbraw/zinc/09/36/04/188093604.db2.gz JKDDWZCNSBXTMZ-SECBINFHSA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1sc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153649830 188095464 /nfs/dbraw/zinc/09/54/64/188095464.db2.gz BAQOWDYZMRUVNH-SNVBAGLBSA-N 1 0 297.380 2.131 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000154384256 188138553 /nfs/dbraw/zinc/13/85/53/188138553.db2.gz YXALNRYCDFELQA-KGLIPLIRSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000156014134 188238789 /nfs/dbraw/zinc/23/87/89/188238789.db2.gz KROUOUKFOFPUDS-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000157870995 188344274 /nfs/dbraw/zinc/34/42/74/188344274.db2.gz SYUMXLVLIXUJAZ-AWEZNQCLSA-N 1 0 294.351 2.222 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000451624736 283055029 /nfs/dbraw/zinc/05/50/29/283055029.db2.gz NYEWQCRFLFAMGL-OTYXRUKQSA-N 1 0 297.305 2.009 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273706509 192271144 /nfs/dbraw/zinc/27/11/44/192271144.db2.gz DNKYITMXFIMHAH-LBPRGKRZSA-N 1 0 293.371 2.165 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000134238609 366302898 /nfs/dbraw/zinc/30/28/98/366302898.db2.gz FAHCQELEGXULEH-CMPLNLGQSA-N 1 0 250.298 2.170 20 5 CEBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344678 363540259 /nfs/dbraw/zinc/54/02/59/363540259.db2.gz SYYRARBWWYFDGX-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076348015 363541778 /nfs/dbraw/zinc/54/17/78/363541778.db2.gz KDEAOMPHOHQBJQ-GFCCVEGCSA-N 1 0 250.298 2.206 20 5 CEBDRO COc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134445425 366324343 /nfs/dbraw/zinc/32/43/43/366324343.db2.gz VWNLPHAPNLNJAQ-AAEUAGOBSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134549785 366337998 /nfs/dbraw/zinc/33/79/98/366337998.db2.gz RQXIHZJQCBMVQS-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428821 199036270 /nfs/dbraw/zinc/03/62/70/199036270.db2.gz URMGKHKYQXZCMA-OPRDCNLKSA-N 1 0 267.329 2.251 20 5 CEBDRO Cc1nc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000570668153 299271134 /nfs/dbraw/zinc/27/11/34/299271134.db2.gz FTNHFPFWXSZOBF-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1c(NC(=O)NCC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414698216 236450720 /nfs/dbraw/zinc/45/07/20/236450720.db2.gz ISKJHZSRQJKGRO-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135204269 366409158 /nfs/dbraw/zinc/40/91/58/366409158.db2.gz QBXYDZYETCEJRJ-DGCLKSJQSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577953644 366420645 /nfs/dbraw/zinc/42/06/45/366420645.db2.gz FESXSBQNOKFZLT-IUCAKERBSA-N 1 0 291.307 2.197 20 5 CEBDRO C[C@H](CCCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294907387 199242655 /nfs/dbraw/zinc/24/26/55/199242655.db2.gz XUMGAJSMAAOOTG-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294945975 199264746 /nfs/dbraw/zinc/26/47/46/199264746.db2.gz CQFFAYYVZCXDHV-SNVBAGLBSA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415444437 236671390 /nfs/dbraw/zinc/67/13/90/236671390.db2.gz VAPMZTRMGWTVJE-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CCNC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135741764 366473510 /nfs/dbraw/zinc/47/35/10/366473510.db2.gz KHDOQEIUOOUYLI-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000296359511 199865343 /nfs/dbraw/zinc/86/53/43/199865343.db2.gz IRRREGHTWMZLQO-WZRBSPASSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000418134108 237314369 /nfs/dbraw/zinc/31/43/69/237314369.db2.gz LVTSVADFNOGFNV-LLVKDONJSA-N 1 0 285.294 2.024 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC000453124811 283481018 /nfs/dbraw/zinc/48/10/18/283481018.db2.gz USSHVTLTUPGWNC-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])cn1 ZINC000080694517 363679380 /nfs/dbraw/zinc/67/93/80/363679380.db2.gz OUMZQGVRBAICEN-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525439 366650941 /nfs/dbraw/zinc/65/09/41/366650941.db2.gz ZPJZHQOTVKKRER-GXSJLCMTSA-N 1 0 276.340 2.335 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230151999 291237534 /nfs/dbraw/zinc/23/75/34/291237534.db2.gz RJBWWYGDBYENAO-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000579909416 366719868 /nfs/dbraw/zinc/71/98/68/366719868.db2.gz BCXWLLQVNBCVDH-ZDUSSCGKSA-N 1 0 282.340 2.364 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153866814 366741137 /nfs/dbraw/zinc/74/11/37/366741137.db2.gz KYQNRHSVNWUOEH-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342327522 216310998 /nfs/dbraw/zinc/31/09/98/216310998.db2.gz AXQHCMUUAIKLGO-RKDXNWHRSA-N 1 0 256.277 2.247 20 5 CEBDRO CC[N@H+](CC(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182208579 189317290 /nfs/dbraw/zinc/31/72/90/189317290.db2.gz QHPTXVZATMORSL-ZDUSSCGKSA-N 1 0 296.367 2.312 20 5 CEBDRO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000342364284 216326656 /nfs/dbraw/zinc/32/66/56/216326656.db2.gz VZCFOGAJKQVDCR-GXFFZTMASA-N 1 0 292.339 2.199 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000015169223 361467587 /nfs/dbraw/zinc/46/75/87/361467587.db2.gz FGGGWROGKOSOGY-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061791 363794894 /nfs/dbraw/zinc/79/48/94/363794894.db2.gz VTZFWMAUNXPMLM-OCCSQVGLSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588553 364083861 /nfs/dbraw/zinc/08/38/61/364083861.db2.gz ZXWMHWWTATYPKK-ZDUSSCGKSA-N 1 0 291.351 2.133 20 5 CEBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000093097814 364142099 /nfs/dbraw/zinc/14/20/99/364142099.db2.gz YTWUUEOPIYWSFE-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339628 364266302 /nfs/dbraw/zinc/26/63/02/364266302.db2.gz NAMBNEOURABTRI-WPRPVWTQSA-N 1 0 297.742 2.058 20 5 CEBDRO Cn1cc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000581878939 366831630 /nfs/dbraw/zinc/83/16/30/366831630.db2.gz LZVHNINDOLLXPM-UHFFFAOYSA-N 1 0 291.311 2.101 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843452 365184577 /nfs/dbraw/zinc/18/45/77/365184577.db2.gz INARGOGQBXSTMV-LLVKDONJSA-N 1 0 283.397 2.430 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000119997294 365358664 /nfs/dbraw/zinc/35/86/64/365358664.db2.gz UHJLSOPRZZQCCQ-OCCSQVGLSA-N 1 0 293.367 2.267 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413642 366875548 /nfs/dbraw/zinc/87/55/48/366875548.db2.gz QQBAGCNSKJZDHD-ZNMIVQPWSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415287 366876545 /nfs/dbraw/zinc/87/65/45/366876545.db2.gz JUGHBUYATVAUPR-FPMFFAJLSA-N 1 0 294.351 2.094 20 5 CEBDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000340508423 366913405 /nfs/dbraw/zinc/91/34/05/366913405.db2.gz UQIBRFBKSZWFON-ZDUSSCGKSA-N 1 0 289.339 2.063 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000340862379 367064060 /nfs/dbraw/zinc/06/40/60/367064060.db2.gz GAIQSJFOMXKTMY-NSHDSACASA-N 1 0 299.346 2.239 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163486051 367244227 /nfs/dbraw/zinc/24/42/27/367244227.db2.gz LLISDLAQLODBQN-RMDKCXRXSA-N 1 0 284.381 2.403 20 5 CEBDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166820107 367330125 /nfs/dbraw/zinc/33/01/25/367330125.db2.gz BJACMQTUVUVEAB-ZDUSSCGKSA-N 1 0 295.383 2.214 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000168630549 367356490 /nfs/dbraw/zinc/35/64/90/367356490.db2.gz TUWQZUOKLUXCMJ-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(O)CCC2)c(F)c1 ZINC000341333529 367289455 /nfs/dbraw/zinc/28/94/55/367289455.db2.gz BDYNCHSMTZJGHX-UHFFFAOYSA-N 1 0 268.288 2.129 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766022 367409619 /nfs/dbraw/zinc/40/96/19/367409619.db2.gz DJBGHKFZVVHHKB-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173048966 367863710 /nfs/dbraw/zinc/86/37/10/367863710.db2.gz CBHOIVAGCBOLPF-VIFPVBQESA-N 1 0 299.396 2.362 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421498 367909088 /nfs/dbraw/zinc/90/90/88/367909088.db2.gz QWXWHQVJFILBSM-RISCZKNCSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343624717 367924088 /nfs/dbraw/zinc/92/40/88/367924088.db2.gz HQMPICROZBBEQW-JTQLQIEISA-N 1 0 254.334 2.243 20 5 CEBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343624718 367924195 /nfs/dbraw/zinc/92/41/95/367924195.db2.gz HQMPICROZBBEQW-SNVBAGLBSA-N 1 0 254.334 2.243 20 5 CEBDRO Cc1nc(N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343588298 367901469 /nfs/dbraw/zinc/90/14/69/367901469.db2.gz FWKZEOIIKIBOPP-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174240947 368001046 /nfs/dbraw/zinc/00/10/46/368001046.db2.gz YTUMFWSWHPYKFL-CYBMUJFWSA-N 1 0 294.351 2.209 20 5 CEBDRO CCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000175093186 368098163 /nfs/dbraw/zinc/09/81/63/368098163.db2.gz OXRLIWOEQOYWPV-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000181477870 368460270 /nfs/dbraw/zinc/46/02/70/368460270.db2.gz UQMNORTXHIIRSK-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345967344 368500710 /nfs/dbraw/zinc/50/07/10/368500710.db2.gz SBGXYGIHAAOUQJ-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826358 368497311 /nfs/dbraw/zinc/49/73/11/368497311.db2.gz QYMCQIDJWBJYCS-RYUDHWBXSA-N 1 0 293.367 2.469 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828640 368498474 /nfs/dbraw/zinc/49/84/74/368498474.db2.gz QTLBYIPYOQLWID-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)C(C)C ZINC000183478951 368629792 /nfs/dbraw/zinc/62/97/92/368629792.db2.gz ZJVDMWPZTIFGEV-AWEZNQCLSA-N 1 0 266.341 2.400 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198710 370948270 /nfs/dbraw/zinc/94/82/70/370948270.db2.gz YVRAPFGZEOJQJG-VXGBXAGGSA-N 1 0 282.340 2.297 20 5 CEBDRO COc1cccc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185340014 368791502 /nfs/dbraw/zinc/79/15/02/368791502.db2.gz OSGAXDUOWHKBKN-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000186981859 369079838 /nfs/dbraw/zinc/07/98/38/369079838.db2.gz HQNRJMCTRGCUGQ-UHFFFAOYSA-N 1 0 289.335 2.070 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000348713598 369130552 /nfs/dbraw/zinc/13/05/52/369130552.db2.gz WUFROWVEKHDYBL-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000189328575 369498068 /nfs/dbraw/zinc/49/80/68/369498068.db2.gz PQNGCVLZGWDNRG-QWHCGFSZSA-N 1 0 264.325 2.152 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000276225484 193249553 /nfs/dbraw/zinc/24/95/53/193249553.db2.gz NDFMUWUFTBWIMQ-UHFFFAOYSA-N 1 0 293.367 2.399 20 5 CEBDRO CCOCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000190267442 369609239 /nfs/dbraw/zinc/60/92/39/369609239.db2.gz LOIHLZLNFDZDBE-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407946 369715810 /nfs/dbraw/zinc/71/58/10/369715810.db2.gz WPUPQBQCXKXKDJ-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO Cc1ccnc(CN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352570082 369790292 /nfs/dbraw/zinc/79/02/92/369790292.db2.gz BTMMFYFXDAKEGC-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352702372 369845765 /nfs/dbraw/zinc/84/57/65/369845765.db2.gz XRCBSOXIGFPXTO-KBPBESRZSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCCO ZINC000192901642 369869108 /nfs/dbraw/zinc/86/91/08/369869108.db2.gz QHJYTOUUMQFDBA-UHFFFAOYSA-N 1 0 252.314 2.155 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCCCO ZINC000192904382 369870473 /nfs/dbraw/zinc/87/04/73/369870473.db2.gz QGZPLARKLYNJNN-SOFGYWHQSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1sc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193010815 369882358 /nfs/dbraw/zinc/88/23/58/369882358.db2.gz ZVNLVQYRBAKUTF-UHFFFAOYSA-N 1 0 297.380 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCO)c1 ZINC000193277951 369916161 /nfs/dbraw/zinc/91/61/61/369916161.db2.gz OPKYLVUZKCILHR-UHFFFAOYSA-N 1 0 258.705 2.110 20 5 CEBDRO CC[C@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193283293 369916948 /nfs/dbraw/zinc/91/69/48/369916948.db2.gz NTVJMCSAIKHDJL-ZDUSSCGKSA-N 1 0 252.314 2.408 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000193499274 369948111 /nfs/dbraw/zinc/94/81/11/369948111.db2.gz LYHLWMBJGICRPW-VHSXEESVSA-N 1 0 284.337 2.088 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150127 370041059 /nfs/dbraw/zinc/04/10/59/370041059.db2.gz IPIIDBINYFEXQZ-DZGCQCFKSA-N 1 0 294.351 2.187 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353154843 370043094 /nfs/dbraw/zinc/04/30/94/370043094.db2.gz PAWQMGFMASURBD-CABCVRRESA-N 1 0 294.351 2.187 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023149 369986829 /nfs/dbraw/zinc/98/68/29/369986829.db2.gz GXDVIDJUVPTOJS-QWHCGFSZSA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC(F)(F)F)cs1 ZINC000353212968 370075559 /nfs/dbraw/zinc/07/55/59/370075559.db2.gz YQTGNFOBHZFRSW-UHFFFAOYSA-N 1 0 270.232 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000219246297 370221130 /nfs/dbraw/zinc/22/11/30/370221130.db2.gz KEQGZZYEGIUQKA-HOTGVXAUSA-N 1 0 289.379 2.354 20 5 CEBDRO C[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000225777491 370317534 /nfs/dbraw/zinc/31/75/34/370317534.db2.gz JDBPQRUBPAJNGF-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588080 370305509 /nfs/dbraw/zinc/30/55/09/370305509.db2.gz OMWJBKFAYJTZNM-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031103 370393060 /nfs/dbraw/zinc/39/30/60/370393060.db2.gz SMDOBAWHUZSKBG-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000354350629 370327033 /nfs/dbraw/zinc/32/70/33/370327033.db2.gz FXNCQZVHSPASIM-UHFFFAOYSA-N 1 0 294.351 2.316 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000229574036 370427851 /nfs/dbraw/zinc/42/78/51/370427851.db2.gz NEHFVPVXXSDCMD-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228088962 370396319 /nfs/dbraw/zinc/39/63/19/370396319.db2.gz MOFUKNHLBDQGBQ-VWYCJHECSA-N 1 0 252.314 2.405 20 5 CEBDRO Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000231483672 370480604 /nfs/dbraw/zinc/48/06/04/370480604.db2.gz OAJDJGMIFZIUSP-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCC[NH2+]1 ZINC000236143951 370584264 /nfs/dbraw/zinc/58/42/64/370584264.db2.gz MKVJNGGTJVPQIU-SSDOTTSWSA-N 1 0 290.245 2.173 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](C)CC1 ZINC000236838247 370637863 /nfs/dbraw/zinc/63/78/63/370637863.db2.gz QIBGCQYYUVOKFV-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236718974 370613297 /nfs/dbraw/zinc/61/32/97/370613297.db2.gz PFTFXASFRBHCQV-AAEUAGOBSA-N 1 0 293.367 2.454 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000248427487 371192354 /nfs/dbraw/zinc/19/23/54/371192354.db2.gz OSRBRUQMZLQACL-AGIUHOORSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358785874 371219634 /nfs/dbraw/zinc/21/96/34/371219634.db2.gz ALJDKBOQLUAORI-SNVBAGLBSA-N 1 0 276.296 2.048 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cs1 ZINC000249453039 371323308 /nfs/dbraw/zinc/32/33/08/371323308.db2.gz CQVDRMCBSPPOBN-HBNTYKKESA-N 1 0 268.338 2.313 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249604592 371345703 /nfs/dbraw/zinc/34/57/03/371345703.db2.gz ZHRZNULIVJGQAV-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000361046011 371618933 /nfs/dbraw/zinc/61/89/33/371618933.db2.gz ZGXKPMSJJDIDDI-ZDUSSCGKSA-N 1 0 292.383 2.192 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000361040729 371613185 /nfs/dbraw/zinc/61/31/85/371613185.db2.gz ARCYHHKFAJBHFH-QWRGUYRKSA-N 1 0 295.387 2.039 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C[NH3+])C1 ZINC000261588474 371664070 /nfs/dbraw/zinc/66/40/70/371664070.db2.gz KFOARDJKHVTXBS-SMDDNHRTSA-N 1 0 263.341 2.327 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000261897786 371764271 /nfs/dbraw/zinc/76/42/71/371764271.db2.gz YFDKHIDZBCDAHV-YVFTVSHDSA-N 1 0 288.307 2.299 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1C ZINC000262765884 371905858 /nfs/dbraw/zinc/90/58/58/371905858.db2.gz JEPYLBOKCINVPG-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361597567 371965056 /nfs/dbraw/zinc/96/50/56/371965056.db2.gz ZGOHIDQFBQAEQW-ZDUSSCGKSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138166 217069179 /nfs/dbraw/zinc/06/91/79/217069179.db2.gz XEXVTZINBDWBQT-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174520 217084951 /nfs/dbraw/zinc/08/49/51/217084951.db2.gz QQRBKHIALACVOM-GXTWGEPZSA-N 1 0 278.352 2.230 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965643 372147947 /nfs/dbraw/zinc/14/79/47/372147947.db2.gz IBIIOLJESVYTJW-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327133 217151190 /nfs/dbraw/zinc/15/11/90/217151190.db2.gz JIEGHMWVPWCXHK-YGRLFVJLSA-N 1 0 281.331 2.306 20 5 CEBDRO CC(C)(C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335372 372730227 /nfs/dbraw/zinc/73/02/27/372730227.db2.gz ILTGTKGYBXYARW-NSHDSACASA-N 1 0 266.345 2.474 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000270300109 372734411 /nfs/dbraw/zinc/73/44/11/372734411.db2.gz AMHFWVULPKBFRU-QWHCGFSZSA-N 1 0 299.371 2.216 20 5 CEBDRO COCCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344698532 217280224 /nfs/dbraw/zinc/28/02/24/217280224.db2.gz LRTRFRBLLSTLSA-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513981 220129102 /nfs/dbraw/zinc/12/91/02/220129102.db2.gz SVQNJZSASNGIKU-GWCFXTLKSA-N 1 0 264.325 2.264 20 5 CEBDRO COc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000344967487 217371015 /nfs/dbraw/zinc/37/10/15/217371015.db2.gz KWXVTRRTINUWOY-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO COc1cccc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000372189097 374065811 /nfs/dbraw/zinc/06/58/11/374065811.db2.gz VSUXYUPOXCXAEQ-YPMHNXCESA-N 1 0 291.351 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389312 374561241 /nfs/dbraw/zinc/56/12/41/374561241.db2.gz FRKLGEQGELRKND-ZIAGYGMSSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631160 374585527 /nfs/dbraw/zinc/58/55/27/374585527.db2.gz YYZUNGBFPKIWTC-KOLCDFICSA-N 1 0 291.307 2.251 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000277631598 374586537 /nfs/dbraw/zinc/58/65/37/374586537.db2.gz CFQRYXJLLXVMPV-SCZZXKLOSA-N 1 0 256.327 2.171 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000573853636 299462128 /nfs/dbraw/zinc/46/21/28/299462128.db2.gz NBMCUPZKNBHKRE-IUODEOHRSA-N 1 0 296.367 2.360 20 5 CEBDRO CCOCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282557667 375517850 /nfs/dbraw/zinc/51/78/50/375517850.db2.gz XYVSRPONFGAEKZ-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CO)o1 ZINC000282929254 375616996 /nfs/dbraw/zinc/61/69/96/375616996.db2.gz FQKRHTQJTNLDAV-UHFFFAOYSA-N 1 0 290.319 2.355 20 5 CEBDRO CC1CC[NH+](CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283677568 375743343 /nfs/dbraw/zinc/74/33/43/375743343.db2.gz XHWZXRYLJKPVBM-UHFFFAOYSA-N 1 0 278.356 2.321 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155794 375818658 /nfs/dbraw/zinc/81/86/58/375818658.db2.gz PNMGVXQLTZRINB-VHSXEESVSA-N 1 0 267.329 2.110 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660908 375905663 /nfs/dbraw/zinc/90/56/63/375905663.db2.gz OVEQOPRYUFZZGO-QWRGUYRKSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414667005 375907365 /nfs/dbraw/zinc/90/73/65/375907365.db2.gz XGYSTAFVWOTXOT-JQWIXIFHSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414667349 375908279 /nfs/dbraw/zinc/90/82/79/375908279.db2.gz XGYSTAFVWOTXOT-ZYHUDNBSSA-N 1 0 292.339 2.104 20 5 CEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414798420 375981610 /nfs/dbraw/zinc/98/16/10/375981610.db2.gz JBDJWNZRWWETMY-YGRLFVJLSA-N 1 0 281.331 2.341 20 5 CEBDRO CC(C)[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414794770 375977673 /nfs/dbraw/zinc/97/76/73/375977673.db2.gz MDRSLQYLCRKQKN-GFCCVEGCSA-N 1 0 271.748 2.321 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414716630 375938397 /nfs/dbraw/zinc/93/83/97/375938397.db2.gz XHZBXVYNDMQSGZ-ONGXEEELSA-N 1 0 292.339 2.104 20 5 CEBDRO CCN(CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286534989 375985840 /nfs/dbraw/zinc/98/58/40/375985840.db2.gz TYSBNAULKOHQCK-UHFFFAOYSA-N 1 0 274.267 2.077 20 5 CEBDRO COC(=O)c1cc(N[C@@H](C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000286534304 375985878 /nfs/dbraw/zinc/98/58/78/375985878.db2.gz VDUMAAMUJSLZMM-JTQLQIEISA-N 1 0 295.339 2.052 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)n1 ZINC000419003967 376377158 /nfs/dbraw/zinc/37/71/58/376377158.db2.gz DSCQWWRSYCGXHB-UHFFFAOYSA-N 1 0 264.329 2.113 20 5 CEBDRO CC[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263885947 190083745 /nfs/dbraw/zinc/08/37/45/190083745.db2.gz DDUVVNGTPWVSHF-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO COc1cc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000305878406 376526375 /nfs/dbraw/zinc/52/63/75/376526375.db2.gz SNHNIRLKUFSTTP-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000310106749 376615556 /nfs/dbraw/zinc/61/55/56/376615556.db2.gz PMCDPRBYHZAULH-QMMMGPOBSA-N 1 0 258.347 2.192 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420234247 376641645 /nfs/dbraw/zinc/64/16/45/376641645.db2.gz HHGODQWRMMWJJS-WDEREUQCSA-N 1 0 264.329 2.288 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC000420269582 376679630 /nfs/dbraw/zinc/67/96/30/376679630.db2.gz IIILNBTZNBNECE-RYUDHWBXSA-N 1 0 263.341 2.387 20 5 CEBDRO C[C@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312003484 376698233 /nfs/dbraw/zinc/69/82/33/376698233.db2.gz QPVMQBRRQKUKAD-JTQLQIEISA-N 1 0 270.304 2.232 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1csc([N+](=O)[O-])c1 ZINC000290343780 376740770 /nfs/dbraw/zinc/74/07/70/376740770.db2.gz FQRMSYDAPNILNM-PWSUYJOCSA-N 1 0 283.397 2.428 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000313821189 376756324 /nfs/dbraw/zinc/75/63/24/376756324.db2.gz KSZOAFMBGCQLMO-UHFFFAOYSA-N 1 0 295.387 2.408 20 5 CEBDRO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422943411 376871314 /nfs/dbraw/zinc/87/13/14/376871314.db2.gz LJKCPDMSJVEZQT-DGCLKSJQSA-N 1 0 263.341 2.073 20 5 CEBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423017024 376931048 /nfs/dbraw/zinc/93/10/48/376931048.db2.gz NUJQJKYBSOASLB-LOWVWBTDSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019220 376936840 /nfs/dbraw/zinc/93/68/40/376936840.db2.gz UTCWBKZOZLFFBF-JHJVBQTASA-N 1 0 293.367 2.012 20 5 CEBDRO C[C@H](F)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562998534 377053374 /nfs/dbraw/zinc/05/33/74/377053374.db2.gz KKCOJYBBHPLNPH-JTQLQIEISA-N 1 0 283.303 2.261 20 5 CEBDRO C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145681 377046652 /nfs/dbraw/zinc/04/66/52/377046652.db2.gz LZAVDKMQHARWRZ-SGMGOOAPSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000562762612 376995809 /nfs/dbraw/zinc/99/58/09/376995809.db2.gz NCAIYUBXZGVEHS-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330577028 377192631 /nfs/dbraw/zinc/19/26/31/377192631.db2.gz GTLZHNPTJLZGNY-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[NH2+]C ZINC000423222816 377139451 /nfs/dbraw/zinc/13/94/51/377139451.db2.gz CUOQAMKPOORBLJ-LLVKDONJSA-N 1 0 283.397 2.275 20 5 CEBDRO CCC[C@@H](NCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423225349 377140973 /nfs/dbraw/zinc/14/09/73/377140973.db2.gz MKXWXCRTIBAUBV-CYBMUJFWSA-N 1 0 251.330 2.245 20 5 CEBDRO CCC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423307527 377237417 /nfs/dbraw/zinc/23/74/17/377237417.db2.gz GXRNGZQWHOIVDK-NSHDSACASA-N 1 0 251.330 2.245 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423278448 377204665 /nfs/dbraw/zinc/20/46/65/377204665.db2.gz PZJDPWXVOSHVJG-HZMBPMFUSA-N 1 0 291.351 2.208 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292883349 377331332 /nfs/dbraw/zinc/33/13/32/377331332.db2.gz YECHLFYHJNFNAH-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293024324 377397492 /nfs/dbraw/zinc/39/74/92/377397492.db2.gz FRUFOXSJTMOCKF-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551293 377372405 /nfs/dbraw/zinc/37/24/05/377372405.db2.gz QJKHPTWHSPIMEG-GHMZBOCLSA-N 1 0 287.323 2.263 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293140952 377443959 /nfs/dbraw/zinc/44/39/59/377443959.db2.gz UFLTZOWYDJKRTL-UHFFFAOYSA-N 1 0 292.335 2.324 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293276537 377501893 /nfs/dbraw/zinc/50/18/93/377501893.db2.gz CHTXSNXDUZTXSK-TXEJJXNPSA-N 1 0 293.367 2.128 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000332225578 377545569 /nfs/dbraw/zinc/54/55/69/377545569.db2.gz KKEFVGBBXUSXLP-GZBFAFLISA-N 1 0 276.336 2.188 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000265184390 190164094 /nfs/dbraw/zinc/16/40/94/190164094.db2.gz XEYOIHWWDJRVQT-UHFFFAOYSA-N 1 0 282.340 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332238395 377548013 /nfs/dbraw/zinc/54/80/13/377548013.db2.gz OMGBTPVEUSRKLH-YUTCNCBUSA-N 1 0 276.336 2.188 20 5 CEBDRO [NH3+]C1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000565416265 377656563 /nfs/dbraw/zinc/65/65/63/377656563.db2.gz DHRISLBQXBZGOR-UHFFFAOYSA-N 1 0 289.335 2.146 20 5 CEBDRO Cc1nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447813177 378141468 /nfs/dbraw/zinc/14/14/68/378141468.db2.gz UZRHJAYOGWSRCP-ZDUSSCGKSA-N 1 0 292.383 2.252 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccnc1N ZINC000295424656 378150995 /nfs/dbraw/zinc/15/09/95/378150995.db2.gz ULUCCTTXCSDXOP-UHFFFAOYSA-N 1 0 286.335 2.247 20 5 CEBDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295987752 378382847 /nfs/dbraw/zinc/38/28/47/378382847.db2.gz PGOJRBYVJFWTHE-UHTWSYAYSA-N 1 0 250.298 2.159 20 5 CEBDRO CS[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465514 378541723 /nfs/dbraw/zinc/54/17/23/378541723.db2.gz XNCYCHAVUCCUOC-CHWSQXEVSA-N 1 0 282.365 2.066 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H](O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000296444403 378534112 /nfs/dbraw/zinc/53/41/12/378534112.db2.gz WRGDQISWEOTJTF-FZMZJTMJSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298511623 378750855 /nfs/dbraw/zinc/75/08/55/378750855.db2.gz UYJDYQWROWYZPG-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451103596 378709026 /nfs/dbraw/zinc/70/90/26/378709026.db2.gz IEVKEJUYFMEVLJ-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NCCCC[NH+]1CCOCC1 ZINC000298733323 378817397 /nfs/dbraw/zinc/81/73/97/378817397.db2.gz TZHYEFAIYBYVQB-UHFFFAOYSA-N 1 0 297.330 2.258 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142645 378943645 /nfs/dbraw/zinc/94/36/45/378943645.db2.gz SDWRUZCOUUPWAC-UHFFFAOYSA-N 1 0 280.328 2.057 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000347246543 218167873 /nfs/dbraw/zinc/16/78/73/218167873.db2.gz JVINELRIWKUAFX-NSHDSACASA-N 1 0 293.367 2.363 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCCCCC[NH+]1CCCCC1 ZINC000347322492 218190862 /nfs/dbraw/zinc/19/08/62/218190862.db2.gz STKGARHRLMBVQG-UHFFFAOYSA-N 1 0 295.387 2.396 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000347371268 218210106 /nfs/dbraw/zinc/21/01/06/218210106.db2.gz JQNYWFGQYZQJMR-WASHYIJTSA-N 1 0 288.347 2.455 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000515424230 379215893 /nfs/dbraw/zinc/21/58/93/379215893.db2.gz OUDKALRKSXVRAU-LBPRGKRZSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000302770526 379447294 /nfs/dbraw/zinc/44/72/94/379447294.db2.gz BVLNSMZIJXPGEQ-LBPRGKRZSA-N 1 0 299.334 2.384 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO)s1 ZINC000304241731 379534020 /nfs/dbraw/zinc/53/40/20/379534020.db2.gz SMTQKYDPHJKGDF-UHFFFAOYSA-N 1 0 278.333 2.405 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854249 190284472 /nfs/dbraw/zinc/28/44/72/190284472.db2.gz JKGXRZHQTGQQPD-STQMWFEESA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC000524718463 379629545 /nfs/dbraw/zinc/62/95/45/379629545.db2.gz KRIRJWIKAIDRCI-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289442845 197348759 /nfs/dbraw/zinc/34/87/59/197348759.db2.gz FFRAQPZLLWHKHF-ZDUSSCGKSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000334035185 380218403 /nfs/dbraw/zinc/21/84/03/380218403.db2.gz WELHRJUVBLRJLU-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334042575 380221443 /nfs/dbraw/zinc/22/14/43/380221443.db2.gz SXTZBGWZPFWVCD-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000547363440 380434607 /nfs/dbraw/zinc/43/46/07/380434607.db2.gz QEMRXQWBFOPDQS-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548416038 380513169 /nfs/dbraw/zinc/51/31/69/380513169.db2.gz HKVWEZOIJYXDDJ-UHFFFAOYSA-N 1 0 298.318 2.149 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000549261901 380597233 /nfs/dbraw/zinc/59/72/33/380597233.db2.gz WCFZLEHMWGVUIY-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)c1 ZINC000090794616 184616802 /nfs/dbraw/zinc/61/68/02/184616802.db2.gz BNXPZUACFAWXSV-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000289418983 197337748 /nfs/dbraw/zinc/33/77/48/197337748.db2.gz CJKKPSMOVZDATC-DGCLKSJQSA-N 1 0 278.356 2.373 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)(C)C ZINC000289347353 197306264 /nfs/dbraw/zinc/30/62/64/197306264.db2.gz FTEZYHIYIDUXHP-CQSZACIVSA-N 1 0 280.368 2.476 20 5 CEBDRO COCC[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341562376 285166790 /nfs/dbraw/zinc/16/67/90/285166790.db2.gz HZBUGMOKEAANCY-CYBMUJFWSA-N 1 0 296.367 2.205 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]C2CCCC2)CC1 ZINC000369172357 285165155 /nfs/dbraw/zinc/16/51/55/285165155.db2.gz VGLVGMGCJDQGPM-UHFFFAOYSA-N 1 0 290.367 2.491 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191995305 130346374 /nfs/dbraw/zinc/34/63/74/130346374.db2.gz YTFBXBILUZNPDL-IUCAKERBSA-N 1 0 299.758 2.190 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193287339 130607515 /nfs/dbraw/zinc/60/75/15/130607515.db2.gz MRKMCLASKMEEDN-WDEREUQCSA-N 1 0 279.340 2.208 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262818934 131264258 /nfs/dbraw/zinc/26/42/58/131264258.db2.gz GOMPRTMCYCJCCL-GXFFZTMASA-N 1 0 291.351 2.028 20 5 CEBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413128442 394488126 /nfs/dbraw/zinc/48/81/26/394488126.db2.gz AEKADPOZKMKGOW-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000413158071 394495314 /nfs/dbraw/zinc/49/53/14/394495314.db2.gz VHDZZOUMOARSDI-WDEREUQCSA-N 1 0 296.346 2.438 20 5 CEBDRO CN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000308612730 394528761 /nfs/dbraw/zinc/52/87/61/394528761.db2.gz GMCKAMLVYKHODH-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO Cc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000308612204 394529095 /nfs/dbraw/zinc/52/90/95/394529095.db2.gz CUMQFXCHENHMCO-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000421888056 394628257 /nfs/dbraw/zinc/62/82/57/394628257.db2.gz WKCLZYTZQNEZNY-ZIAGYGMSSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331601859 394632342 /nfs/dbraw/zinc/63/23/42/394632342.db2.gz QBZMYZVCHBWZIM-SMDDNHRTSA-N 1 0 289.335 2.042 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000265133322 394646462 /nfs/dbraw/zinc/64/64/62/394646462.db2.gz JKDZPJIDLYLPKN-UHFFFAOYSA-N 1 0 282.340 2.066 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2n[nH]cc2C1 ZINC000118854278 394762359 /nfs/dbraw/zinc/76/23/59/394762359.db2.gz XQKQQSHVNHPPKQ-SNVBAGLBSA-N 1 0 272.308 2.437 20 5 CEBDRO CNCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838765 394763191 /nfs/dbraw/zinc/76/31/91/394763191.db2.gz ZKDGBQKBZHMCSK-JSGCOSHPSA-N 1 0 277.368 2.115 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000119997444 394773353 /nfs/dbraw/zinc/77/33/53/394773353.db2.gz UHJLSOPRZZQCCQ-JSGCOSHPSA-N 1 0 293.367 2.267 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274689355 394799579 /nfs/dbraw/zinc/79/95/79/394799579.db2.gz QECAPSIOIRISLT-JTQLQIEISA-N 1 0 296.346 2.460 20 5 CEBDRO C[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414910999 394800915 /nfs/dbraw/zinc/80/09/15/394800915.db2.gz SZJJFFCJOXUAQQ-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000414935884 394810729 /nfs/dbraw/zinc/81/07/29/394810729.db2.gz GHIISYFPRUQVNJ-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414943966 394815130 /nfs/dbraw/zinc/81/51/30/394815130.db2.gz FZXLZELWRMJHJO-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000276812726 394815476 /nfs/dbraw/zinc/81/54/76/394815476.db2.gz DWYCCENDWFDHQB-TUKIKUTGSA-N 1 0 294.351 2.310 20 5 CEBDRO COc1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414975487 394833300 /nfs/dbraw/zinc/83/33/00/394833300.db2.gz OPLFBZPZWJCKCS-CQSZACIVSA-N 1 0 293.367 2.081 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000415030094 394855091 /nfs/dbraw/zinc/85/50/91/394855091.db2.gz BUNRFGHTWVVZSU-VSKVDJIOSA-N 1 0 275.352 2.338 20 5 CEBDRO C[C@H](C[NH3+])N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423342869 394892320 /nfs/dbraw/zinc/89/23/20/394892320.db2.gz ZBXFQTCTVVCKFS-RNCFNFMXSA-N 1 0 263.341 2.254 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415306925 394919799 /nfs/dbraw/zinc/91/97/99/394919799.db2.gz YSLPDJRPCPUDIE-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423479197 394929349 /nfs/dbraw/zinc/92/93/49/394929349.db2.gz LYUVGXKSESKTSK-ZWNOBZJWSA-N 1 0 299.321 2.113 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415484102 394936784 /nfs/dbraw/zinc/93/67/84/394936784.db2.gz NRLFQLZNIZLVFO-LLVKDONJSA-N 1 0 294.355 2.461 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635225 394950190 /nfs/dbraw/zinc/95/01/90/394950190.db2.gz UDWRRJOCTKCWAP-LLVKDONJSA-N 1 0 298.318 2.229 20 5 CEBDRO CC[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286022695 395001991 /nfs/dbraw/zinc/00/19/91/395001991.db2.gz FXMBRFHBIHVUNL-UHFFFAOYSA-N 1 0 264.329 2.073 20 5 CEBDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423854844 395003965 /nfs/dbraw/zinc/00/39/65/395003965.db2.gz WAVASSRHAHCDKO-LBPRGKRZSA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286186183 395016191 /nfs/dbraw/zinc/01/61/91/395016191.db2.gz ADXCNTVRNFWWTK-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286189965 395016220 /nfs/dbraw/zinc/01/62/20/395016220.db2.gz AZABJMSOOIANBA-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000286229998 395017122 /nfs/dbraw/zinc/01/71/22/395017122.db2.gz COTZOLCJVNRDOC-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO Cc1cnc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286322457 395019833 /nfs/dbraw/zinc/01/98/33/395019833.db2.gz KYUBIYNTGRGUHD-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO O=C(CC[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCCCC1 ZINC000134477632 394958161 /nfs/dbraw/zinc/95/81/61/394958161.db2.gz DHUOEESTXSFCAU-UHFFFAOYSA-N 1 0 297.380 2.149 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415732448 394958507 /nfs/dbraw/zinc/95/85/07/394958507.db2.gz AEDBUEBCIQGYSE-NSHDSACASA-N 1 0 292.339 2.031 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423683888 394964751 /nfs/dbraw/zinc/96/47/51/394964751.db2.gz QPXDUKMMYAAEMV-VHSXEESVSA-N 1 0 279.340 2.184 20 5 CEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344438537 395055709 /nfs/dbraw/zinc/05/57/09/395055709.db2.gz XCOCEHWUOXKOAD-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471583 395114854 /nfs/dbraw/zinc/11/48/54/395114854.db2.gz HPFVREFKHFPRJW-DOMZBBRYSA-N 1 0 292.335 2.261 20 5 CEBDRO CC[C@H](NC(=O)NCCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417849177 395146440 /nfs/dbraw/zinc/14/64/40/395146440.db2.gz LHFOLPITIHELPD-ZDUSSCGKSA-N 1 0 294.355 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c(F)c1 ZINC000438908356 395235948 /nfs/dbraw/zinc/23/59/48/395235948.db2.gz UTUYZXNQMKOZBQ-IACUBPJLSA-N 1 0 280.299 2.391 20 5 CEBDRO CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183309082 395254140 /nfs/dbraw/zinc/25/41/40/395254140.db2.gz DLZFGIBSSLFVDL-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CCSCC2)c1 ZINC000438991421 395242415 /nfs/dbraw/zinc/24/24/15/395242415.db2.gz CLFKZELNWJJOAS-UHFFFAOYSA-N 1 0 296.392 2.285 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292230995 395189835 /nfs/dbraw/zinc/18/98/35/395189835.db2.gz IUEVYKFALMDESZ-CYBMUJFWSA-N 1 0 296.758 2.175 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292445783 395195400 /nfs/dbraw/zinc/19/54/00/395195400.db2.gz YRYZAYZIWRCUOG-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+][C@H](C)C1 ZINC000420288598 395297005 /nfs/dbraw/zinc/29/70/05/395297005.db2.gz JIXQIRYWNINFFN-VXGBXAGGSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[NH2+]Cc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000434662607 395317936 /nfs/dbraw/zinc/31/79/36/395317936.db2.gz MPKLQQFIYIZDCJ-UHFFFAOYSA-N 1 0 252.299 2.156 20 5 CEBDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420641636 395399027 /nfs/dbraw/zinc/39/90/27/395399027.db2.gz UUENZHMHOAQRLK-LBPRGKRZSA-N 1 0 279.340 2.134 20 5 CEBDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000420642662 395399973 /nfs/dbraw/zinc/39/99/73/395399973.db2.gz WKKUHEXBVJMILX-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190856236 395342987 /nfs/dbraw/zinc/34/29/87/395342987.db2.gz WHRBPZIUFGEMKD-MDZLAQPJSA-N 1 0 264.325 2.216 20 5 CEBDRO COC[C@@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549806683 395465211 /nfs/dbraw/zinc/46/52/11/395465211.db2.gz YMVOCXXNVSZDIS-LBPRGKRZSA-N 1 0 266.341 2.352 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)nc1 ZINC000194086568 395424660 /nfs/dbraw/zinc/42/46/60/395424660.db2.gz JQUIQJJNIVZUOY-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO C[C@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)O ZINC000451362912 395610540 /nfs/dbraw/zinc/61/05/40/395610540.db2.gz AMIICXCKUSFQTG-VIFPVBQESA-N 1 0 292.339 2.062 20 5 CEBDRO C[NH+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450208733 395566714 /nfs/dbraw/zinc/56/67/14/395566714.db2.gz PKOSFTQQOOAHEO-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441805 395618537 /nfs/dbraw/zinc/61/85/37/395618537.db2.gz ZJOTZOSQBHTNFE-TVQRCGJNSA-N 1 0 286.278 2.358 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000045691581 400158132 /nfs/dbraw/zinc/15/81/32/400158132.db2.gz DTKMADQDAFQWOB-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000088147751 292281898 /nfs/dbraw/zinc/28/18/98/292281898.db2.gz SNKWECKLXHGRRC-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH3+])C1 ZINC000217526490 153295929 /nfs/dbraw/zinc/29/59/29/153295929.db2.gz PYQSDVHICXZYPW-RYUDHWBXSA-N 1 0 263.341 2.327 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830904 153352073 /nfs/dbraw/zinc/35/20/73/153352073.db2.gz BKKKKRGXGZATOD-STQMWFEESA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376168 153396299 /nfs/dbraw/zinc/39/62/99/153396299.db2.gz YXBIMEDKWQTIAE-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000261673096 153808487 /nfs/dbraw/zinc/80/84/87/153808487.db2.gz GKFCFYZCKSCLKV-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359778858 155129257 /nfs/dbraw/zinc/12/92/57/155129257.db2.gz RSMSDPRJTQRTBW-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705792 156229171 /nfs/dbraw/zinc/22/91/71/156229171.db2.gz QZJFOUDHJHCDRB-NSHDSACASA-N 1 0 292.364 2.379 20 5 CEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000368681811 156386394 /nfs/dbraw/zinc/38/63/94/156386394.db2.gz BFBFPCCVYUAKJH-HNNXBMFYSA-N 1 0 278.352 2.435 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000371401427 156657153 /nfs/dbraw/zinc/65/71/53/156657153.db2.gz OUGQBLVLGHTPCZ-YPMHNXCESA-N 1 0 298.364 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H](CO)C2)cc1F ZINC000374857146 157019056 /nfs/dbraw/zinc/01/90/56/157019056.db2.gz AFJIKASLPYBCRW-GFCCVEGCSA-N 1 0 282.315 2.328 20 5 CEBDRO Cc1sc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000375247609 157066476 /nfs/dbraw/zinc/06/64/76/157066476.db2.gz AMOYNAZNSLTPLD-OWUUHHOZSA-N 1 0 295.364 2.059 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CCO)CC2)c1 ZINC000552717266 298481377 /nfs/dbraw/zinc/48/13/77/298481377.db2.gz CRZOYZQFAVUCKB-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135678177 287045692 /nfs/dbraw/zinc/04/56/92/287045692.db2.gz JJUMJNBSGFGRLW-NEPJUHHUSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170741355 165042040 /nfs/dbraw/zinc/04/20/40/165042040.db2.gz BGIZFBHQWKUATA-CQSZACIVSA-N 1 0 293.342 2.404 20 5 CEBDRO CC[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174871458 165118587 /nfs/dbraw/zinc/11/85/87/165118587.db2.gz JVRPUBVUXVOONR-GFCCVEGCSA-N 1 0 266.345 2.446 20 5 CEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000175793597 165144744 /nfs/dbraw/zinc/14/47/44/165144744.db2.gz DFSBLUXRVNPPTK-SECBINFHSA-N 1 0 299.396 2.362 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176262494 165159999 /nfs/dbraw/zinc/15/99/99/165159999.db2.gz YYEYFBPTROSOMS-RYUDHWBXSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000177765413 165206050 /nfs/dbraw/zinc/20/60/50/165206050.db2.gz JVQUITWVJOWTOV-LLVKDONJSA-N 1 0 293.367 2.469 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185368257 165455466 /nfs/dbraw/zinc/45/54/66/165455466.db2.gz YKLGMWBYHXVQLX-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO CC(C)(O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419277 298776081 /nfs/dbraw/zinc/77/60/81/298776081.db2.gz SVSJQLSEHFCGJK-GFCCVEGCSA-N 1 0 264.325 2.333 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000020146878 171033225 /nfs/dbraw/zinc/03/32/25/171033225.db2.gz ZOBJFSPNUQAMAP-HNNXBMFYSA-N 1 0 294.351 2.270 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196071 171061478 /nfs/dbraw/zinc/06/14/78/171061478.db2.gz OWSRVUJAROWMOW-PWSUYJOCSA-N 1 0 252.314 2.325 20 5 CEBDRO C[NH+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343361 172135103 /nfs/dbraw/zinc/13/51/03/172135103.db2.gz SWAIWKKSUNGVJX-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040411617 174254544 /nfs/dbraw/zinc/25/45/44/174254544.db2.gz ILFLJOHPQUAKPK-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000040624154 174356403 /nfs/dbraw/zinc/35/64/03/174356403.db2.gz TWKSZMGIWCATCN-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000044417327 175173238 /nfs/dbraw/zinc/17/32/38/175173238.db2.gz NLQKXDAHJBSVCN-VIFPVBQESA-N 1 0 265.288 2.383 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071300929 176114036 /nfs/dbraw/zinc/11/40/36/176114036.db2.gz CAMFXFKMNPPIIL-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077204995 177232903 /nfs/dbraw/zinc/23/29/03/177232903.db2.gz ZNDVQSLWEKYCDU-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000449147950 260257795 /nfs/dbraw/zinc/25/77/95/260257795.db2.gz RTGCJJOVDRIVFZ-XHDPSFHLSA-N 1 0 278.352 2.276 20 5 CEBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000448374114 261132986 /nfs/dbraw/zinc/13/29/86/261132986.db2.gz RYNJMDWRRAHMGN-BRLPQQTGSA-N 1 0 276.336 2.311 20 5 CEBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000448374119 261133111 /nfs/dbraw/zinc/13/31/11/261133111.db2.gz RYNJMDWRRAHMGN-VSKVDJIOSA-N 1 0 276.336 2.311 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216271014 262024890 /nfs/dbraw/zinc/02/48/90/262024890.db2.gz PKNBAQXROAUHRY-MEJMFZKBSA-N 1 0 291.351 2.098 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216270967 262024994 /nfs/dbraw/zinc/02/49/94/262024994.db2.gz PKNBAQXROAUHRY-WSROAFLRSA-N 1 0 291.351 2.098 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488785961 262394100 /nfs/dbraw/zinc/39/41/00/262394100.db2.gz PMQNPVKCQGUEOZ-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000425969685 264249161 /nfs/dbraw/zinc/24/91/61/264249161.db2.gz XEVBIEAPTITTRG-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425977201 264249237 /nfs/dbraw/zinc/24/92/37/264249237.db2.gz JSYUFSLAXRQHFF-DGCLKSJQSA-N 1 0 264.325 2.106 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000232979680 270314734 /nfs/dbraw/zinc/31/47/34/270314734.db2.gz PQMCZVDCAIXHGC-JTQLQIEISA-N 1 0 297.380 2.164 20 5 CEBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000296266543 270332025 /nfs/dbraw/zinc/33/20/25/270332025.db2.gz GPRKFGITDSYEKX-ZDUSSCGKSA-N 1 0 295.387 2.472 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162229 270332707 /nfs/dbraw/zinc/33/27/07/270332707.db2.gz FZGRUZYYAUQXEI-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271516 270352507 /nfs/dbraw/zinc/35/25/07/270352507.db2.gz XKUZRQYWLGZADI-YRGRVCCFSA-N 1 0 277.368 2.400 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456444 270353877 /nfs/dbraw/zinc/35/38/77/270353877.db2.gz OIMKELZRTKXHKS-CKYFFXLPSA-N 1 0 283.397 2.462 20 5 CEBDRO C[C@@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000397778360 270354685 /nfs/dbraw/zinc/35/46/85/270354685.db2.gz UPOYNAUQCWFMIC-SNVBAGLBSA-N 1 0 270.304 2.232 20 5 CEBDRO C[NH+](C)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000397799639 270355145 /nfs/dbraw/zinc/35/51/45/270355145.db2.gz LBCLDAMDJIAGPW-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422817408 270781806 /nfs/dbraw/zinc/78/18/06/270781806.db2.gz HOIINXGBHMHSAU-TXEJJXNPSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[NH2+]CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423242944 270880669 /nfs/dbraw/zinc/88/06/69/270880669.db2.gz JSDWELKXYYOVFH-LLVKDONJSA-N 1 0 251.330 2.163 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000424336724 271048738 /nfs/dbraw/zinc/04/87/38/271048738.db2.gz YMCLMBHFNAKVDD-UZMCECQYSA-N 1 0 290.363 2.419 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+]1CCCC1 ZINC000430234589 271365739 /nfs/dbraw/zinc/36/57/39/271365739.db2.gz AWWYUPMHFJNSDL-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588356 271396117 /nfs/dbraw/zinc/39/61/17/271396117.db2.gz DLDLWHZSYUZFDV-OLZOCXBDSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430607964 271397521 /nfs/dbraw/zinc/39/75/21/271397521.db2.gz BWMGHOLHTWIWTP-QWHCGFSZSA-N 1 0 293.367 2.175 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000044572277 273638189 /nfs/dbraw/zinc/63/81/89/273638189.db2.gz MTEPBLDHMIQKSL-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000160075258 273852375 /nfs/dbraw/zinc/85/23/75/273852375.db2.gz ZIMVYMQRLXEMDS-CYBMUJFWSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331601855 274304194 /nfs/dbraw/zinc/30/41/94/274304194.db2.gz QBZMYZVCHBWZIM-RISCZKNCSA-N 1 0 289.335 2.042 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063192302 274506914 /nfs/dbraw/zinc/50/69/14/274506914.db2.gz KWZHQPJHKWHVHZ-TVQRCGJNSA-N 1 0 295.314 2.076 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)nc1-c1ccccc1 ZINC000341388939 275035023 /nfs/dbraw/zinc/03/50/23/275035023.db2.gz VTCIGIOIDTUSKI-UHFFFAOYSA-N 1 0 298.346 2.196 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376383530 276870549 /nfs/dbraw/zinc/87/05/49/276870549.db2.gz KLEPFBGUYLTGOL-LBPRGKRZSA-N 1 0 278.356 2.098 20 5 CEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205545 277011081 /nfs/dbraw/zinc/01/10/81/277011081.db2.gz SDWWDMXCOSANPE-ABAIWWIYSA-N 1 0 291.351 2.114 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375041428 277177268 /nfs/dbraw/zinc/17/72/68/277177268.db2.gz QGLJWXQABUBUPI-HOCLYGCPSA-N 1 0 289.379 2.163 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000176350675 277240012 /nfs/dbraw/zinc/24/00/12/277240012.db2.gz PJYKPULZLJNSRL-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414663025 277277324 /nfs/dbraw/zinc/27/73/24/277277324.db2.gz RWHJOFCRGBRIHJ-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414663020 277284416 /nfs/dbraw/zinc/28/44/16/277284416.db2.gz RWHJOFCRGBRIHJ-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271603874 277530067 /nfs/dbraw/zinc/53/00/67/277530067.db2.gz ITPGXBWQNOGDEF-RYUDHWBXSA-N 1 0 299.371 2.216 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157151328 278036438 /nfs/dbraw/zinc/03/64/38/278036438.db2.gz MSPRAVUZIXWJGL-LBPRGKRZSA-N 1 0 291.351 2.025 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339342 278159467 /nfs/dbraw/zinc/15/94/67/278159467.db2.gz OHAWVBNLFIYANM-GIPNMCIBSA-N 1 0 284.381 2.358 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262848341 278512923 /nfs/dbraw/zinc/51/29/23/278512923.db2.gz YYKYOXHTFSLKBQ-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)n1 ZINC000338796474 278665486 /nfs/dbraw/zinc/66/54/86/278665486.db2.gz SLZILRSDLFRHIH-VXGBXAGGSA-N 1 0 278.356 2.135 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000356977089 279083113 /nfs/dbraw/zinc/08/31/13/279083113.db2.gz CFEJEHCMCDEFMD-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088236 279348218 /nfs/dbraw/zinc/34/82/18/279348218.db2.gz FYPCTTMXPZPWAJ-MNOVXSKESA-N 1 0 251.330 2.196 20 5 CEBDRO CC(C)[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248308 280366814 /nfs/dbraw/zinc/36/68/14/280366814.db2.gz DMGRFHOSKIMEMA-GFCCVEGCSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCOC2)n1 ZINC000343920069 280377460 /nfs/dbraw/zinc/37/74/60/280377460.db2.gz CSJLLQNGZRYWJD-YNEHKIRRSA-N 1 0 294.355 2.044 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396675409 280675572 /nfs/dbraw/zinc/67/55/72/280675572.db2.gz UIFSASNHZZEPPR-NSHDSACASA-N 1 0 280.324 2.261 20 5 CEBDRO CCc1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000414356227 280714977 /nfs/dbraw/zinc/71/49/77/280714977.db2.gz DILCCCQEHUKMLI-UHFFFAOYSA-N 1 0 286.335 2.280 20 5 CEBDRO COc1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946831 280976219 /nfs/dbraw/zinc/97/62/19/280976219.db2.gz PJGJKVFGAAOSOH-OLZOCXBDSA-N 1 0 293.367 2.353 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000423479196 281053469 /nfs/dbraw/zinc/05/34/69/281053469.db2.gz LYUVGXKSESKTSK-MFKMUULPSA-N 1 0 299.321 2.113 20 5 CEBDRO CC(C)c1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000423496675 281056102 /nfs/dbraw/zinc/05/61/02/281056102.db2.gz FGXAYIJNUZLZSE-UHFFFAOYSA-N 1 0 279.340 2.187 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C(C)C)CC1 ZINC000301196465 281259928 /nfs/dbraw/zinc/25/99/28/281259928.db2.gz ULZKTEHBABBKCI-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430636099 281271787 /nfs/dbraw/zinc/27/17/87/281271787.db2.gz XNUOUNSIIQTMGT-GWCFXTLKSA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000297427878 289039503 /nfs/dbraw/zinc/03/95/03/289039503.db2.gz SNTJZTNMJPXOOS-LDYMZIIASA-N 1 0 297.742 2.200 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000272650208 290168219 /nfs/dbraw/zinc/16/82/19/290168219.db2.gz ZCAOFGMDUCKLBN-SRVKXCTJSA-N 1 0 264.325 2.359 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000459555009 290177893 /nfs/dbraw/zinc/17/78/93/290177893.db2.gz FBSAMHVBRAZBJG-UHFFFAOYSA-N 1 0 287.310 2.303 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459792812 290242049 /nfs/dbraw/zinc/24/20/49/290242049.db2.gz JUTIZVVNWIKDCV-AAEUAGOBSA-N 1 0 280.349 2.163 20 5 CEBDRO CCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000459793407 290242228 /nfs/dbraw/zinc/24/22/28/290242228.db2.gz JZUBOMRUVFUDRD-LLVKDONJSA-N 1 0 266.345 2.387 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000292699471 295254444 /nfs/dbraw/zinc/25/44/44/295254444.db2.gz FXMCBUDDHJSGQN-PHIMTYICSA-N 1 0 279.340 2.132 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000524690543 297676207 /nfs/dbraw/zinc/67/62/07/297676207.db2.gz ZEFPQSIHSPVEDK-LBPRGKRZSA-N 1 0 291.351 2.278 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538268370 298226361 /nfs/dbraw/zinc/22/63/61/298226361.db2.gz HAGXLYXSHGDCKQ-LLVKDONJSA-N 1 0 293.367 2.326 20 5 CEBDRO CNC(=O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540169195 298263372 /nfs/dbraw/zinc/26/33/72/298263372.db2.gz ADOFDYNXCUHIRR-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563120878 298739158 /nfs/dbraw/zinc/73/91/58/298739158.db2.gz KUQKVZGDUUBBTH-SECBINFHSA-N 1 0 279.300 2.029 20 5 CEBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000563414191 298774271 /nfs/dbraw/zinc/77/42/71/298774271.db2.gz ZTLAPOJLTKCCOZ-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO COC[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419264 298775819 /nfs/dbraw/zinc/77/58/19/298775819.db2.gz SLJPROUNOMTRRZ-ZWNOBZJWSA-N 1 0 264.325 2.454 20 5 CEBDRO CC1(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)COC1 ZINC000564125021 298819437 /nfs/dbraw/zinc/81/94/37/298819437.db2.gz TZFOLQLZIDAZHP-UHFFFAOYSA-N 1 0 289.335 2.245 20 5 CEBDRO Cc1cc(N(C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000564639745 298836866 /nfs/dbraw/zinc/83/68/66/298836866.db2.gz MBFRPNILLQZLQS-UHFFFAOYSA-N 1 0 269.320 2.430 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000168721795 298999392 /nfs/dbraw/zinc/99/93/92/298999392.db2.gz GFEHAOBCYKLZAW-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC1CC([NH+](C)C)C1 ZINC000567248800 299046189 /nfs/dbraw/zinc/04/61/89/299046189.db2.gz NRESWOUYYKMDAE-UHFFFAOYSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517556099 313110984 /nfs/dbraw/zinc/11/09/84/313110984.db2.gz GEBZLULBXFVJTM-WDEREUQCSA-N 1 0 277.324 2.169 20 5 CEBDRO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000566091314 313849506 /nfs/dbraw/zinc/84/95/06/313849506.db2.gz XBYJPDRWLZBURL-IUODEOHRSA-N 1 0 293.367 2.094 20 5 CEBDRO CNc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000566215800 313858063 /nfs/dbraw/zinc/85/80/63/313858063.db2.gz TZGHIQRWNKCCHP-UHFFFAOYSA-N 1 0 289.295 2.024 20 5 CEBDRO Cc1ccc(CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000570009250 314020877 /nfs/dbraw/zinc/02/08/77/314020877.db2.gz UHOSVHWOTYROAY-UHFFFAOYSA-N 1 0 265.357 2.287 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000576574801 314288956 /nfs/dbraw/zinc/28/89/56/314288956.db2.gz NBQZBYROEGEVIS-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000389671754 321891271 /nfs/dbraw/zinc/89/12/71/321891271.db2.gz FIPHHEBWGDYGLX-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081449 322368398 /nfs/dbraw/zinc/36/83/98/322368398.db2.gz BAQXZPSPUHPILZ-GWCFXTLKSA-N 1 0 291.351 2.039 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H](O)C1)CCCC2 ZINC000583920962 326797513 /nfs/dbraw/zinc/79/75/13/326797513.db2.gz YOFBSAPUGOSLPJ-LNSITVRQSA-N 1 0 276.336 2.475 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000414659555 534343597 /nfs/dbraw/zinc/34/35/97/534343597.db2.gz NISOSHJCWRDTRU-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO CC(=O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000061644756 518345846 /nfs/dbraw/zinc/34/58/46/518345846.db2.gz BEIGJNPSDKTOKQ-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812220 520625359 /nfs/dbraw/zinc/62/53/59/520625359.db2.gz YXYOCOVUNYQZDX-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278533512 521652518 /nfs/dbraw/zinc/65/25/18/521652518.db2.gz UJAQGFWDIXBKTN-VCANKDNSSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000061375778 522833448 /nfs/dbraw/zinc/83/34/48/522833448.db2.gz CLPQAKDMQONISU-OAHLLOKOSA-N 1 0 295.383 2.214 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726553 523662631 /nfs/dbraw/zinc/66/26/31/523662631.db2.gz LMYQXEQEFZKEOU-TZMCWYRMSA-N 1 0 264.325 2.294 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152341968 524091298 /nfs/dbraw/zinc/09/12/98/524091298.db2.gz XALBOPNYEFTNIQ-OLZOCXBDSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650009 524814097 /nfs/dbraw/zinc/81/40/97/524814097.db2.gz JSBDAIVAYOVGRJ-UWVGGRQHSA-N 1 0 290.323 2.128 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000364758801 525205826 /nfs/dbraw/zinc/20/58/26/525205826.db2.gz BHPIPQXBYOUCCN-CYBMUJFWSA-N 1 0 289.335 2.184 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000052812388 525576607 /nfs/dbraw/zinc/57/66/07/525576607.db2.gz VOLYUCBUMNXCLK-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310377 525743919 /nfs/dbraw/zinc/74/39/19/525743919.db2.gz FQIDZTPKKKVUQU-BFKGZMGPSA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000181815731 525916777 /nfs/dbraw/zinc/91/67/77/525916777.db2.gz XDAARFOFSDUGTR-NSHDSACASA-N 1 0 291.351 2.175 20 5 CEBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357899875 526722215 /nfs/dbraw/zinc/72/22/15/526722215.db2.gz ABRYEORXWHMCHL-LLVKDONJSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000366094446 527414531 /nfs/dbraw/zinc/41/45/31/527414531.db2.gz JKNMIOLBPQWOTD-YPMHNXCESA-N 1 0 264.329 2.056 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349923 527804256 /nfs/dbraw/zinc/80/42/56/527804256.db2.gz UDMYXQGNYPLAPY-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000355874249 528889429 /nfs/dbraw/zinc/88/94/29/528889429.db2.gz TWJMQHQKPHZAPR-UHFFFAOYSA-N 1 0 297.355 2.379 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000412990364 529005593 /nfs/dbraw/zinc/00/55/93/529005593.db2.gz OXOOHSBBJRHLBN-LLVKDONJSA-N 1 0 252.318 2.054 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c2nonc21)C(C)C ZINC000726595032 574427893 /nfs/dbraw/zinc/42/78/93/574427893.db2.gz LLVWZOZLHCJODJ-UHFFFAOYSA-N 1 0 293.327 2.273 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000727112651 574448050 /nfs/dbraw/zinc/44/80/50/574448050.db2.gz PUFSDIOAYAMGDH-LLVKDONJSA-N 1 0 291.355 2.385 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727824442 574456448 /nfs/dbraw/zinc/45/64/48/574456448.db2.gz PPRHCLWIPBPKGY-NSHDSACASA-N 1 0 252.318 2.240 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048143 575147354 /nfs/dbraw/zinc/14/73/54/575147354.db2.gz WOJGZJRYJJAEBJ-ZANVPECISA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047936 575147383 /nfs/dbraw/zinc/14/73/83/575147383.db2.gz UHUFRZDVGDFWCP-CABZTGNLSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000235383532 625356508 /nfs/dbraw/zinc/35/65/08/625356508.db2.gz GUUOBBOKZFQLQP-GHMZBOCLSA-N 1 0 277.324 2.230 20 5 CEBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891680629 623893791 /nfs/dbraw/zinc/89/37/91/623893791.db2.gz GONANTNZOOCYLN-NSHDSACASA-N 1 0 283.376 2.107 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCCC[N@H+](C)C1CCCCC1 ZINC000891700564 623912556 /nfs/dbraw/zinc/91/25/56/623912556.db2.gz LYYAXPRNZYIYDU-UHFFFAOYSA-N 1 0 295.387 2.395 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227442436 624239607 /nfs/dbraw/zinc/23/96/07/624239607.db2.gz KNIOMPFKGXVRFT-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[NH2+]C1 ZINC000236185735 625904575 /nfs/dbraw/zinc/90/45/75/625904575.db2.gz OPXYRFRMIAZVNM-ZCFIWIBFSA-N 1 0 259.668 2.161 20 5 CEBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311827290 627702460 /nfs/dbraw/zinc/70/24/60/627702460.db2.gz OKTRMSRQBHBTKH-GFCCVEGCSA-N 1 0 268.288 2.079 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCCSC)c1[N+](=O)[O-] ZINC000893010458 627942298 /nfs/dbraw/zinc/94/22/98/627942298.db2.gz XTLQRGPLARSKQS-UHFFFAOYSA-N 1 0 286.353 2.152 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000893091365 627995894 /nfs/dbraw/zinc/99/58/94/627995894.db2.gz ANXILVNBSWTQPW-GFCCVEGCSA-N 1 0 294.351 2.459 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000930681853 628218957 /nfs/dbraw/zinc/21/89/57/628218957.db2.gz RAQZEYRSYRBZKH-AWEZNQCLSA-N 1 0 278.352 2.147 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474610 634666456 /nfs/dbraw/zinc/66/64/56/634666456.db2.gz GERLUMQXXVZDAU-REBRKWNGSA-N 1 0 289.379 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931653082 628747928 /nfs/dbraw/zinc/74/79/28/628747928.db2.gz JHMKUITZJOENGR-ZWNOBZJWSA-N 1 0 291.351 2.078 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC[NH2+]CC1 ZINC000311764843 628775302 /nfs/dbraw/zinc/77/53/02/628775302.db2.gz BCBITMGBVUMJFB-UHFFFAOYSA-N 1 0 271.267 2.332 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000094943736 628883781 /nfs/dbraw/zinc/88/37/81/628883781.db2.gz MDVJUZNMXLNURL-SNVBAGLBSA-N 1 0 252.314 2.154 20 5 CEBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000791051628 629238712 /nfs/dbraw/zinc/23/87/12/629238712.db2.gz HCBBJNFWGUCHAJ-NSHDSACASA-N 1 0 252.314 2.355 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894711456 629605366 /nfs/dbraw/zinc/60/53/66/629605366.db2.gz JVNGPRCOZYUUOY-CQSZACIVSA-N 1 0 298.339 2.214 20 5 CEBDRO CO[C@H](C)C[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000795746163 629664911 /nfs/dbraw/zinc/66/49/11/629664911.db2.gz GUMIWNGNDSXIIN-SNVBAGLBSA-N 1 0 292.339 2.177 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894895589 629732599 /nfs/dbraw/zinc/73/25/99/629732599.db2.gz QSXGTYAKQFAQES-SNVBAGLBSA-N 1 0 298.339 2.071 20 5 CEBDRO C[C@@H](C[NH2+]CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000902674889 634770094 /nfs/dbraw/zinc/77/00/94/634770094.db2.gz YGMQHEJNFJWIGI-NSHDSACASA-N 1 0 264.325 2.324 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000895099941 629895158 /nfs/dbraw/zinc/89/51/58/629895158.db2.gz OSCVRYFLMFNVDA-PHIMTYICSA-N 1 0 295.387 2.039 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000895100228 629895501 /nfs/dbraw/zinc/89/55/01/629895501.db2.gz SBZVHAHPVVTCSJ-LBPRGKRZSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000895100336 629896116 /nfs/dbraw/zinc/89/61/16/629896116.db2.gz AJIBOXJTRCXOAK-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000895192688 630024236 /nfs/dbraw/zinc/02/42/36/630024236.db2.gz KPBYAJAJGCWKPZ-WDEREUQCSA-N 1 0 296.758 2.316 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC2CC=CC2)c1[N+](=O)[O-] ZINC000895564556 630251956 /nfs/dbraw/zinc/25/19/56/630251956.db2.gz KXMGVYAEJVMEJU-UHFFFAOYSA-N 1 0 278.308 2.365 20 5 CEBDRO CC1(C)CC[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000897249190 631016282 /nfs/dbraw/zinc/01/62/82/631016282.db2.gz PCZQIFPXXUUMFC-UHFFFAOYSA-N 1 0 278.356 2.321 20 5 CEBDRO C[C@H](C[NH2+]Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000897469308 631536348 /nfs/dbraw/zinc/53/63/48/631536348.db2.gz HYSHRSPTGVKESI-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000803494272 631574725 /nfs/dbraw/zinc/57/47/25/631574725.db2.gz AUBBJESEIGIXQY-CYBMUJFWSA-N 1 0 298.314 2.363 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925306120 631762616 /nfs/dbraw/zinc/76/26/16/631762616.db2.gz GPZDOQKTECRVQX-ZYHUDNBSSA-N 1 0 292.339 2.117 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000843148495 631859816 /nfs/dbraw/zinc/85/98/16/631859816.db2.gz SZGMCHMZTRICMC-LBPRGKRZSA-N 1 0 276.296 2.224 20 5 CEBDRO CS[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840112849 631865995 /nfs/dbraw/zinc/86/59/95/631865995.db2.gz BTSRWWPNYAABQA-GFCCVEGCSA-N 1 0 292.364 2.339 20 5 CEBDRO CC1(C)CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000898035356 632030554 /nfs/dbraw/zinc/03/05/54/632030554.db2.gz QPXJBDFHLLVQLD-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000898192782 632107224 /nfs/dbraw/zinc/10/72/24/632107224.db2.gz IVVZCIZKPLSSII-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927084447 632452952 /nfs/dbraw/zinc/45/29/52/632452952.db2.gz MJVXYGVVWRZITC-JSGCOSHPSA-N 1 0 294.351 2.359 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812860970 632594958 /nfs/dbraw/zinc/59/49/58/632594958.db2.gz CBCYARBCIVJEEH-CABCVRRESA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1c(CNC(=[NH2+])N[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000899271377 632767972 /nfs/dbraw/zinc/76/79/72/632767972.db2.gz CCVFJGNAZVWFQR-JTQLQIEISA-N 1 0 276.340 2.316 20 5 CEBDRO CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905230329 635874537 /nfs/dbraw/zinc/87/45/37/635874537.db2.gz PHNNRTDOXCAJMR-AWEZNQCLSA-N 1 0 250.342 2.368 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000817291047 633621339 /nfs/dbraw/zinc/62/13/39/633621339.db2.gz MIJXWCXPGPKDSB-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000900478321 633738152 /nfs/dbraw/zinc/73/81/52/633738152.db2.gz RPVUTNGBSAURIE-GFCCVEGCSA-N 1 0 292.339 2.249 20 5 CEBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906908 633766532 /nfs/dbraw/zinc/76/65/32/633766532.db2.gz GTZNXPRAALOOKJ-RNCFNFMXSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC=CCC2)c1 ZINC000819088468 634064668 /nfs/dbraw/zinc/06/46/68/634064668.db2.gz SMAYACRBBLOJJQ-GXTWGEPZSA-N 1 0 262.309 2.327 20 5 CEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105548 634069448 /nfs/dbraw/zinc/06/94/48/634069448.db2.gz HBFOTQXUUWFIOT-BXUZGUMPSA-N 1 0 296.367 2.421 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000819130636 634077278 /nfs/dbraw/zinc/07/72/78/634077278.db2.gz DBVWCVUOFSOLAJ-DGCLKSJQSA-N 1 0 282.365 2.113 20 5 CEBDRO C[NH+](C)CCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396674 634090333 /nfs/dbraw/zinc/09/03/33/634090333.db2.gz VVHXTHZJMAOVKQ-UHFFFAOYSA-N 1 0 261.281 2.354 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)C1CC1 ZINC000819211748 634106243 /nfs/dbraw/zinc/10/62/43/634106243.db2.gz FATQFCVCDCSMON-ZDUSSCGKSA-N 1 0 284.743 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902853999 634867432 /nfs/dbraw/zinc/86/74/32/634867432.db2.gz XPHHXUHKWTZPFI-UNPMEBSKSA-N 1 0 288.347 2.498 20 5 CEBDRO COc1cc([C@H](C)NCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903055415 634948345 /nfs/dbraw/zinc/94/83/45/634948345.db2.gz FJEOPMYUTKTKFO-NSHDSACASA-N 1 0 281.356 2.206 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903109651 634973475 /nfs/dbraw/zinc/97/34/75/634973475.db2.gz HCIBTZBRIDUSDA-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903097615 634977502 /nfs/dbraw/zinc/97/75/02/634977502.db2.gz HBMDIYCGRLLSEU-IINYFYTJSA-N 1 0 282.340 2.271 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903114173 634978388 /nfs/dbraw/zinc/97/83/88/634978388.db2.gz VNIZCBXIQPWASV-GXFFZTMASA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822726914 634981921 /nfs/dbraw/zinc/98/19/21/634981921.db2.gz VUWFYQFZKGUCLK-OLZOCXBDSA-N 1 0 299.415 2.059 20 5 CEBDRO C[C@@H](C[NH2+][C@@H]1CN2C[C@@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244837 635025677 /nfs/dbraw/zinc/02/56/77/635025677.db2.gz FHKUUWRWPGIWER-KCQAQPDRSA-N 1 0 289.379 2.382 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000903289098 635052408 /nfs/dbraw/zinc/05/24/08/635052408.db2.gz NDGZGZBWBQPERQ-AACJMNEGSA-N 1 0 274.320 2.421 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903411736 635104939 /nfs/dbraw/zinc/10/49/39/635104939.db2.gz QTWSRDIFBAJPDW-QMTHXVAHSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903410764 635105254 /nfs/dbraw/zinc/10/52/54/635105254.db2.gz JEUFICAEKUCBKD-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000904080163 635441867 /nfs/dbraw/zinc/44/18/67/635441867.db2.gz XWIBTAWQHBFMMO-LLVKDONJSA-N 1 0 288.307 2.358 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000904093444 635455459 /nfs/dbraw/zinc/45/54/59/635455459.db2.gz WVXOUPBYQDBNIV-UHFFFAOYSA-N 1 0 290.323 2.495 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000904405697 635612272 /nfs/dbraw/zinc/61/22/72/635612272.db2.gz MSSYHJNAGDKNTE-LBPRGKRZSA-N 1 0 292.339 2.023 20 5 CEBDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905066013 635809272 /nfs/dbraw/zinc/80/92/72/635809272.db2.gz AIBOUEPPARKWMV-VIFPVBQESA-N 1 0 292.257 2.339 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000905065168 635809549 /nfs/dbraw/zinc/80/95/49/635809549.db2.gz NHBXIGFUDXMEAQ-UHFFFAOYSA-N 1 0 263.124 2.402 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000905068628 635810611 /nfs/dbraw/zinc/81/06/11/635810611.db2.gz PRSXLXKCRRTMQA-UHFFFAOYSA-N 1 0 279.123 2.239 20 5 CEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000905365873 636246852 /nfs/dbraw/zinc/24/68/52/636246852.db2.gz REJQXASGFCQTEY-RDDDGLTNSA-N 1 0 293.150 2.282 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000905399562 636256709 /nfs/dbraw/zinc/25/67/09/636256709.db2.gz PGDZGCKNOUNXRR-UHFFFAOYSA-N 1 0 262.231 2.158 20 5 CEBDRO CSC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905645299 636380472 /nfs/dbraw/zinc/38/04/72/636380472.db2.gz WAMWJQIKICIURV-QWRGUYRKSA-N 1 0 284.381 2.012 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828041222 636493038 /nfs/dbraw/zinc/49/30/38/636493038.db2.gz QFOUHPHGXLOYFQ-LBPRGKRZSA-N 1 0 299.415 2.011 20 5 CEBDRO [NH3+][C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000906507993 636759068 /nfs/dbraw/zinc/75/90/68/636759068.db2.gz GNCUZCDPVKMNKN-HAQNSBGRSA-N 1 0 287.319 2.434 20 5 CEBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876520604 650301458 /nfs/dbraw/zinc/30/14/58/650301458.db2.gz BYLRLLWQVFRVAP-UHFFFAOYSA-N 1 0 287.319 2.087 20 5 CEBDRO CCCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000149423975 637066865 /nfs/dbraw/zinc/06/68/65/637066865.db2.gz NOFRTYZAMXQCGS-JTQLQIEISA-N 1 0 284.747 2.222 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830981267 637208531 /nfs/dbraw/zinc/20/85/31/637208531.db2.gz QTNQMCLLEPLPLO-NEPJUHHUSA-N 1 0 296.298 2.165 20 5 CEBDRO CC[N@H+](CCSC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830999641 637214027 /nfs/dbraw/zinc/21/40/27/637214027.db2.gz QOQUFZTZGHWFRF-ZDUSSCGKSA-N 1 0 284.381 2.313 20 5 CEBDRO CC(C)[NH2+]CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831218257 637257374 /nfs/dbraw/zinc/25/73/74/637257374.db2.gz ZKBOFAHCJCWPPV-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876568926 650334672 /nfs/dbraw/zinc/33/46/72/650334672.db2.gz ULHZBGFEFRFMEY-SECBINFHSA-N 1 0 299.758 2.205 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCO)C1CC1 ZINC000876579622 650343342 /nfs/dbraw/zinc/34/33/42/650343342.db2.gz IWDHCGJOVKHZKK-UHFFFAOYSA-N 1 0 264.325 2.168 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833029690 637707909 /nfs/dbraw/zinc/70/79/09/637707909.db2.gz MEGZPIMNVCFBHS-SMDDNHRTSA-N 1 0 291.351 2.256 20 5 CEBDRO CCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)COC1 ZINC000834901088 637981370 /nfs/dbraw/zinc/98/13/70/637981370.db2.gz WRCQGMNSLUQJCQ-SNVBAGLBSA-N 1 0 279.340 2.254 20 5 CEBDRO CC[N@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876526707 639235827 /nfs/dbraw/zinc/23/58/27/639235827.db2.gz BZSUUBJPPMMDMT-UHFFFAOYSA-N 1 0 252.314 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000223900757 639437940 /nfs/dbraw/zinc/43/79/40/639437940.db2.gz UQJVSIMAUGFPEK-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC3CC3)C2)c1 ZINC000877050353 639474980 /nfs/dbraw/zinc/47/49/80/639474980.db2.gz LSBDDWIOOIRGMR-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226129958 639525224 /nfs/dbraw/zinc/52/52/24/639525224.db2.gz RCRCHQRBBSJHOF-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000841011593 639617643 /nfs/dbraw/zinc/61/76/43/639617643.db2.gz SEPHONPUKLWKCY-SNVBAGLBSA-N 1 0 298.730 2.107 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032683 639625363 /nfs/dbraw/zinc/62/53/63/639625363.db2.gz JBAHGZVLRXVIND-LBPRGKRZSA-N 1 0 283.759 2.480 20 5 CEBDRO [NH3+][C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841050101 639633503 /nfs/dbraw/zinc/63/35/03/639633503.db2.gz PDHGUJMSRPYZAX-NSHDSACASA-N 1 0 269.732 2.075 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063166631 639836416 /nfs/dbraw/zinc/83/64/16/639836416.db2.gz KOIGLHWNRQLRBG-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1ccc(-c2noc(CC3(C[NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000841824801 639872394 /nfs/dbraw/zinc/87/23/94/639872394.db2.gz UJSIVJJITLHHLW-UHFFFAOYSA-N 1 0 288.307 2.235 20 5 CEBDRO CC1(C)C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843054561 640257305 /nfs/dbraw/zinc/25/73/05/640257305.db2.gz SZDSNVOGNYIUKV-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1cc(C)cc(CC[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000877096075 650570414 /nfs/dbraw/zinc/57/04/14/650570414.db2.gz XCFYNWLLOPHWGE-UHFFFAOYSA-N 1 0 288.351 2.240 20 5 CEBDRO Cc1c(-c2noc(C(C)(C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843238266 640364281 /nfs/dbraw/zinc/36/42/81/640364281.db2.gz MUWYRHLYBIQILK-UHFFFAOYSA-N 1 0 276.296 2.190 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cs1 ZINC000914433938 640404611 /nfs/dbraw/zinc/40/46/11/640404611.db2.gz YGDTYFYXZDYBPK-WDEREUQCSA-N 1 0 268.338 2.171 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843750870 640519086 /nfs/dbraw/zinc/51/90/86/640519086.db2.gz YVKVBTKMLPVSJI-UHFFFAOYSA-N 1 0 297.330 2.114 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000845761853 641079204 /nfs/dbraw/zinc/07/92/04/641079204.db2.gz SADADFRRIOKKDY-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000070078158 641630489 /nfs/dbraw/zinc/63/04/89/641630489.db2.gz CSCBGBPHSVSWMV-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO C[N@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000071939088 641842351 /nfs/dbraw/zinc/84/23/51/641842351.db2.gz LUBZSJJLTAPPBW-UHFFFAOYSA-N 1 0 260.297 2.244 20 5 CEBDRO COCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000848561300 642055050 /nfs/dbraw/zinc/05/50/50/642055050.db2.gz UXMIVNVTNNRUPO-SNVBAGLBSA-N 1 0 279.340 2.254 20 5 CEBDRO Cc1cc(C(=O)N(C)CCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000877442189 650723714 /nfs/dbraw/zinc/72/37/14/650723714.db2.gz YNLBDKXCMMKDSO-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000849330807 642333264 /nfs/dbraw/zinc/33/32/64/642333264.db2.gz CORXINHXMSCOSU-UGFHNGPFSA-N 1 0 294.351 2.175 20 5 CEBDRO CCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002190915 642758986 /nfs/dbraw/zinc/75/89/86/642758986.db2.gz DAPIZGHEXHVTCW-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCO)cc1F ZINC000311362501 642827373 /nfs/dbraw/zinc/82/73/73/642827373.db2.gz RAYMKHDNXJYSKZ-NSHDSACASA-N 1 0 268.288 2.081 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C ZINC000922576337 643135417 /nfs/dbraw/zinc/13/54/17/643135417.db2.gz PCEVMFZYZODMJC-PINLSGDHSA-N 1 0 275.352 2.292 20 5 CEBDRO COC(CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000852095887 643298831 /nfs/dbraw/zinc/29/88/31/643298831.db2.gz GAMGJGLFXAMBSV-JTQLQIEISA-N 1 0 268.313 2.254 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852787967 643551269 /nfs/dbraw/zinc/55/12/69/643551269.db2.gz ZCHHPTFYQXIEOG-GFCCVEGCSA-N 1 0 299.758 2.205 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)c2ccccn2)cccc1[N+](=O)[O-] ZINC000853105392 643659202 /nfs/dbraw/zinc/65/92/02/643659202.db2.gz QWDSANVWXOTJGC-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853125159 643668152 /nfs/dbraw/zinc/66/81/52/643668152.db2.gz MNOQOKXAGQLLTH-OCCSQVGLSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000923443401 643712811 /nfs/dbraw/zinc/71/28/11/643712811.db2.gz OOWPXEWSTPYXPW-AGIUHOORSA-N 1 0 293.367 2.044 20 5 CEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000923441118 643717585 /nfs/dbraw/zinc/71/75/85/643717585.db2.gz HYOQPRHOJHGNGT-AVGNSLFASA-N 1 0 293.367 2.044 20 5 CEBDRO CC(C)C[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877832031 650926594 /nfs/dbraw/zinc/92/65/94/650926594.db2.gz FCQFLNGEXDZNBP-KCPJHIHWSA-N 1 0 296.367 2.013 20 5 CEBDRO Cc1c(C(=O)OCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000755723711 644551056 /nfs/dbraw/zinc/55/10/56/644551056.db2.gz WSCJSYLUIVBFMW-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858547330 645197109 /nfs/dbraw/zinc/19/71/09/645197109.db2.gz JVYRMRQXUNGGKL-UAKXVISKSA-N 1 0 291.351 2.395 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C1CC1 ZINC000809752322 645199872 /nfs/dbraw/zinc/19/98/72/645199872.db2.gz QKSDPLOWAJWTMJ-ZDUSSCGKSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761076661 645232162 /nfs/dbraw/zinc/23/21/62/645232162.db2.gz KBNYURPHPJZERC-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO Cc1c(CN2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761080747 645233755 /nfs/dbraw/zinc/23/37/55/645233755.db2.gz XUGNMCQMKRTOPH-LLVKDONJSA-N 1 0 263.341 2.039 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000765770583 645806913 /nfs/dbraw/zinc/80/69/13/645806913.db2.gz NQCKTVYHECFTLH-NEPJUHHUSA-N 1 0 263.341 2.258 20 5 CEBDRO CS[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000767292967 645974207 /nfs/dbraw/zinc/97/42/07/645974207.db2.gz WDLPLWCTNXVRIA-ZIAGYGMSSA-N 1 0 295.408 2.385 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000772360326 646622138 /nfs/dbraw/zinc/62/21/38/646622138.db2.gz WPHARUMNLLSRLC-UHFFFAOYSA-N 1 0 295.339 2.135 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000863562892 646756951 /nfs/dbraw/zinc/75/69/51/646756951.db2.gz MGBUVRJOPCKFHX-SWLSCSKDSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863575069 646760709 /nfs/dbraw/zinc/76/07/09/646760709.db2.gz IFIDVNSXALTZSO-UKRRQHHQSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775180556 646927945 /nfs/dbraw/zinc/92/79/45/646927945.db2.gz ZZDDXRHZQGCXLX-PSASIEDQSA-N 1 0 260.297 2.359 20 5 CEBDRO CC(C)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578655 647072966 /nfs/dbraw/zinc/07/29/66/647072966.db2.gz HINCFWJDNUOHKS-CYBMUJFWSA-N 1 0 252.314 2.216 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585062 647074599 /nfs/dbraw/zinc/07/45/99/647074599.db2.gz RZDWJRYVQCMZFL-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585064 647074966 /nfs/dbraw/zinc/07/49/66/647074966.db2.gz RZDWJRYVQCMZFL-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865539827 647349067 /nfs/dbraw/zinc/34/90/67/647349067.db2.gz XWIOVKYJFWPFEM-GFCCVEGCSA-N 1 0 289.282 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000865694697 647427708 /nfs/dbraw/zinc/42/77/08/647427708.db2.gz TZDGJYMFJXTJHQ-XSXPHNMFSA-N 1 0 274.320 2.108 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000865998439 647566851 /nfs/dbraw/zinc/56/68/51/647566851.db2.gz ICDUMYVKFAERMD-ZDUSSCGKSA-N 1 0 293.367 2.160 20 5 CEBDRO Cc1cccc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206825 647670677 /nfs/dbraw/zinc/67/06/77/647670677.db2.gz FZTZTANZLCGKQV-STQMWFEESA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000866206596 647670703 /nfs/dbraw/zinc/67/07/03/647670703.db2.gz SNXWKPXPDLUHFE-CMPLNLGQSA-N 1 0 279.315 2.264 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866213377 647675116 /nfs/dbraw/zinc/67/51/16/647675116.db2.gz PVXKECJFCDAULC-VHSXEESVSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000866262353 647701971 /nfs/dbraw/zinc/70/19/71/647701971.db2.gz UUZSRGKSJBMZGL-SNVBAGLBSA-N 1 0 282.315 2.170 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263125 647703319 /nfs/dbraw/zinc/70/33/19/647703319.db2.gz MYAHUUCLNLNNDM-QMTHXVAHSA-N 1 0 284.331 2.416 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267945 647705818 /nfs/dbraw/zinc/70/58/18/647705818.db2.gz JIGPHFNUTHHWFP-HZMBPMFUSA-N 1 0 284.331 2.271 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]n1 ZINC000866269982 647708414 /nfs/dbraw/zinc/70/84/14/647708414.db2.gz QUESHNJWOFQNAL-SECBINFHSA-N 1 0 292.314 2.486 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783579733 647731877 /nfs/dbraw/zinc/73/18/77/647731877.db2.gz IADGKCPHRWWYFI-GWCFXTLKSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000866388163 647768449 /nfs/dbraw/zinc/76/84/49/647768449.db2.gz CKJATOJWEAUBTP-WDEREUQCSA-N 1 0 296.342 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3[NH2+]CC[C@H]32)c(F)c1 ZINC000866724355 647883620 /nfs/dbraw/zinc/88/36/20/647883620.db2.gz LJMVYSXPSIEPHI-ZIAGYGMSSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CO ZINC000785984657 647975677 /nfs/dbraw/zinc/97/56/77/647975677.db2.gz RBCNPTPVHFNWGL-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H]1CCC[C@@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956615 648001486 /nfs/dbraw/zinc/00/14/86/648001486.db2.gz SDDOCIDSSUTYFP-DGFSRKRXSA-N 1 0 291.351 2.074 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000868000673 648015950 /nfs/dbraw/zinc/01/59/50/648015950.db2.gz VOXFXQFYJXOOEV-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000868007792 648018894 /nfs/dbraw/zinc/01/88/94/648018894.db2.gz YCZRJFMVWCTFOL-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610803 648207487 /nfs/dbraw/zinc/20/74/87/648207487.db2.gz JLEUCGRGLQWGJA-RYUDHWBXSA-N 1 0 292.383 2.312 20 5 CEBDRO O=[N+]([O-])CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000791052108 648476425 /nfs/dbraw/zinc/47/64/25/648476425.db2.gz LJBWVBNOAVLFFA-UHFFFAOYSA-N 1 0 252.289 2.314 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123854694 649207786 /nfs/dbraw/zinc/20/77/86/649207786.db2.gz RGICJHYTXXIKAA-JTQLQIEISA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@@H]([NH2+]CCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066686 649260714 /nfs/dbraw/zinc/26/07/14/649260714.db2.gz JTCZBRNCVXROLF-SECBINFHSA-N 1 0 256.277 2.157 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077904 649265255 /nfs/dbraw/zinc/26/52/55/649265255.db2.gz NKIRVMNGJCKHFL-LPEHRKFASA-N 1 0 295.314 2.039 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090361 649270615 /nfs/dbraw/zinc/27/06/15/649270615.db2.gz BOWTWYAWKNKJEC-XVKPBYJWSA-N 1 0 292.257 2.401 20 5 CEBDRO CC(C)(CO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124304690 649506221 /nfs/dbraw/zinc/50/62/21/649506221.db2.gz MSHYDLOIZLBWEI-UHFFFAOYSA-N 1 0 272.732 2.356 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000873068930 649550317 /nfs/dbraw/zinc/55/03/17/649550317.db2.gz CVOGQQBLNJSVTI-AWEZNQCLSA-N 1 0 296.392 2.169 20 5 CEBDRO Cc1c(C[NH2+]CCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873075353 649552723 /nfs/dbraw/zinc/55/27/23/649552723.db2.gz YMECMVPEEVCMPS-AWEZNQCLSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)CCF ZINC000873133285 649565840 /nfs/dbraw/zinc/56/58/40/649565840.db2.gz OZMMVMIDIMBHIR-LLVKDONJSA-N 1 0 270.304 2.022 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000873229509 649600307 /nfs/dbraw/zinc/60/03/07/649600307.db2.gz BFLCGRFJOFYHGT-ZYHUDNBSSA-N 1 0 267.354 2.031 20 5 CEBDRO C[C@@H]1c2sccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000880376524 651432773 /nfs/dbraw/zinc/43/27/73/651432773.db2.gz IJEQCWLKANOBOR-SNVBAGLBSA-N 1 0 292.364 2.472 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808971 651889606 /nfs/dbraw/zinc/88/96/06/651889606.db2.gz KPPDEGBLKOMKDY-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC1 ZINC000129371225 651933189 /nfs/dbraw/zinc/93/31/89/651933189.db2.gz DGGVLSBGWJXRBG-UHFFFAOYSA-N 1 0 288.307 2.415 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882027557 651941896 /nfs/dbraw/zinc/94/18/96/651941896.db2.gz WWGREJVZDDUUIZ-LLVKDONJSA-N 1 0 296.346 2.440 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ccnc(F)c1[N+](=O)[O-])CC2 ZINC000882159046 651984483 /nfs/dbraw/zinc/98/44/83/651984483.db2.gz PYMHCDKVBWGODR-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882428710 652067234 /nfs/dbraw/zinc/06/72/34/652067234.db2.gz YAYJCMSNAOMFLX-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH3+])CC2)c1C ZINC000884011664 652630924 /nfs/dbraw/zinc/63/09/24/652630924.db2.gz LSJOQDCNGOFPBU-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001165034824 721886038 /nfs/dbraw/zinc/88/60/38/721886038.db2.gz JMVYGFBHDHZHDX-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000408171530 721892335 /nfs/dbraw/zinc/89/23/35/721892335.db2.gz KMMRXCBSIWUPLB-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)cc1F ZINC000713928705 805983175 /nfs/dbraw/zinc/98/31/75/805983175.db2.gz XSTMHSLSWAQXHE-VIFPVBQESA-N 1 0 256.277 2.371 20 5 CEBDRO O=[N+]([O-])c1cc2cc[nH]c2c(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001168226896 806421699 /nfs/dbraw/zinc/42/16/99/806421699.db2.gz PRULUSNFAZVEJX-PWSUYJOCSA-N 1 0 278.287 2.188 20 5 CEBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000697506500 806498138 /nfs/dbraw/zinc/49/81/38/806498138.db2.gz AVEBWQYSCWUCQA-UHFFFAOYSA-N 1 0 250.298 2.172 20 5 CEBDRO CC/C(C)=C\C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126752259 806516623 /nfs/dbraw/zinc/51/66/23/806516623.db2.gz OEYFPYAZIANLAI-BENRWUELSA-N 1 0 291.351 2.157 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159933637 806843508 /nfs/dbraw/zinc/84/35/08/806843508.db2.gz FHLWYZVFWKEOOM-JTQLQIEISA-N 1 0 280.259 2.440 20 5 CEBDRO [NH3+]C[C@]1(F)CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157812658 812474443 /nfs/dbraw/zinc/47/44/43/812474443.db2.gz DUEQMQVRUKRLLP-CQSZACIVSA-N 1 0 290.298 2.020 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nccc(N)c1[N+](=O)[O-] ZINC001167625324 803213718 /nfs/dbraw/zinc/21/37/18/803213718.db2.gz VYQMBERYQYWZDE-UHFFFAOYSA-N 1 0 293.371 2.057 20 5 CEBDRO Cc1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217979237 803522766 /nfs/dbraw/zinc/52/27/66/803522766.db2.gz GUMQOAHKUKMICH-MFKMUULPSA-N 1 0 268.288 2.372 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]CC3CC3)n2)c1 ZINC000036884666 814943410 /nfs/dbraw/zinc/94/34/10/814943410.db2.gz GXSWDSZSDXYPGO-UHFFFAOYSA-N 1 0 274.280 2.144 20 5 CEBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[NH2+]C1 ZINC001218180174 803557289 /nfs/dbraw/zinc/55/72/89/803557289.db2.gz KMTWVZCQFPQFSX-QMMMGPOBSA-N 1 0 292.213 2.234 20 5 CEBDRO [NH3+]CCc1ccn(-c2ncnc3cc4ccccc4cc32)n1 ZINC001167729560 803688802 /nfs/dbraw/zinc/68/88/02/803688802.db2.gz MEKIRUVVTQQESW-UHFFFAOYSA-N 1 0 289.342 2.470 20 5 CEBDRO C[NH2+][C@H](C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001117953622 814968854 /nfs/dbraw/zinc/96/88/54/814968854.db2.gz JUJFQLDYUFBDSP-HOSRBBHYSA-N 1 0 263.341 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383185 804872975 /nfs/dbraw/zinc/87/29/75/804872975.db2.gz WCOAYCSIMOXKJL-JTQLQIEISA-N 1 0 254.261 2.207 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225593649 804989156 /nfs/dbraw/zinc/98/91/56/804989156.db2.gz UJKYTUBWGQFYEF-SNVBAGLBSA-N 1 0 253.302 2.099 20 5 CEBDRO C[NH+](C)CCNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001161668278 805539286 /nfs/dbraw/zinc/53/92/86/805539286.db2.gz AMFKZBPOPSWFHE-UHFFFAOYSA-N 1 0 293.245 2.467 20 5 CEBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001233552798 807420303 /nfs/dbraw/zinc/42/03/03/807420303.db2.gz XMSGDBWFGMRCKQ-LLVKDONJSA-N 1 0 265.313 2.161 20 5 CEBDRO COc1cc(F)c(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234237452 807583850 /nfs/dbraw/zinc/58/38/50/807583850.db2.gz UAUXQHBVSPHKLO-VIFPVBQESA-N 1 0 260.304 2.447 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000716715261 815144200 /nfs/dbraw/zinc/14/42/00/815144200.db2.gz FFWRTFPFGIWJDB-LLVKDONJSA-N 1 0 274.267 2.009 20 5 CEBDRO CCC1(Nc2cc([N+](=O)[O-])c(C)cc2OC)C[NH2+]C1 ZINC001168583462 808669864 /nfs/dbraw/zinc/66/98/64/808669864.db2.gz LXMZLEZDTKAHCI-UHFFFAOYSA-N 1 0 265.313 2.076 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001120727133 815264219 /nfs/dbraw/zinc/26/42/19/815264219.db2.gz QXOLMAXPPMUANP-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000701046222 809383078 /nfs/dbraw/zinc/38/30/78/809383078.db2.gz NODVULOOOBWAJT-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701043242 809384072 /nfs/dbraw/zinc/38/40/72/809384072.db2.gz PYAAZXIBZSIPAW-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000701068645 809385376 /nfs/dbraw/zinc/38/53/76/809385376.db2.gz ZKCHYQQORFYSJH-KYZUINATSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000703989138 809714286 /nfs/dbraw/zinc/71/42/86/809714286.db2.gz MQDRRIFTNRPFDL-PWSUYJOCSA-N 1 0 282.315 2.184 20 5 CEBDRO [NH3+]C1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001166661942 810453713 /nfs/dbraw/zinc/45/37/13/810453713.db2.gz BOJYINIJIYOCSJ-UHFFFAOYSA-N 1 0 272.308 2.071 20 5 CEBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC001122477142 815415923 /nfs/dbraw/zinc/41/59/23/815415923.db2.gz ROMGENAAEMKFAK-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO [NH3+]Cc1cccc2cnn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168976322 811304637 /nfs/dbraw/zinc/30/46/37/811304637.db2.gz CTBOOJSCVRVSGR-MFKMUULPSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001168982124 811309309 /nfs/dbraw/zinc/30/93/09/811309309.db2.gz IOOLAJVYYSOSRC-LERXQTSPSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001168982120 811309787 /nfs/dbraw/zinc/30/97/87/811309787.db2.gz IOOLAJVYYSOSRC-DDTOSNHZSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ncoc32)C1 ZINC001168985022 811311712 /nfs/dbraw/zinc/31/17/12/811311712.db2.gz CBQHABABQHVLIS-PWSUYJOCSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]COc2ccccc2)C1 ZINC001168983740 811311819 /nfs/dbraw/zinc/31/18/19/811311819.db2.gz LCXPVFXPIJFTQL-NEPJUHHUSA-N 1 0 250.298 2.058 20 5 CEBDRO Cc1ccc2ncc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)n2c1 ZINC001168961285 811314355 /nfs/dbraw/zinc/31/43/55/811314355.db2.gz IPCWODPMDAOYCU-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnccc2Cl)C1 ZINC001168963054 811315229 /nfs/dbraw/zinc/31/52/29/811315229.db2.gz NPQFVWKKKRCEMA-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO COc1ccc(OCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965551 811316678 /nfs/dbraw/zinc/31/66/78/811316678.db2.gz AMQYGABNSRIPAN-OLZOCXBDSA-N 1 0 294.351 2.109 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001168965286 811317241 /nfs/dbraw/zinc/31/72/41/811317241.db2.gz YZBZPNNHQMWDSR-MNOVXSKESA-N 1 0 269.732 2.270 20 5 CEBDRO CCCN(CCC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965640 811317438 /nfs/dbraw/zinc/31/74/38/811317438.db2.gz BKUCHYGECGZKDT-ZIAGYGMSSA-N 1 0 271.405 2.143 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)nc1 ZINC001168966315 811318490 /nfs/dbraw/zinc/31/84/90/811318490.db2.gz HXQLEEHTDZYITR-WPRPVWTQSA-N 1 0 282.731 2.095 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168967135 811318568 /nfs/dbraw/zinc/31/85/68/811318568.db2.gz NQCUQPBJBAZUDZ-DMDPSCGWSA-N 1 0 264.325 2.488 20 5 CEBDRO Cc1ccccc1OCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967561 811319056 /nfs/dbraw/zinc/31/90/56/811319056.db2.gz QUKQERSAUOFQQJ-KBPBESRZSA-N 1 0 278.352 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC001168973362 811321592 /nfs/dbraw/zinc/32/15/92/811321592.db2.gz ONGCUZCQZASSLM-YUELXQCFSA-N 1 0 278.352 2.145 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001168975591 811323125 /nfs/dbraw/zinc/32/31/25/811323125.db2.gz WOAQBPRAIBBZRD-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001168975514 811323478 /nfs/dbraw/zinc/32/34/78/811323478.db2.gz VZTWXQQNTRELPS-ONGXEEELSA-N 1 0 270.279 2.500 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974668 811323741 /nfs/dbraw/zinc/32/37/41/811323741.db2.gz SDLJHVIYEXDXGN-AAEUAGOBSA-N 1 0 283.416 2.412 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)C1 ZINC001169000913 811329370 /nfs/dbraw/zinc/32/93/70/811329370.db2.gz ZKQSYPRFKLPHSC-JTNHKYCSSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc3O2)C1 ZINC001169003123 811331119 /nfs/dbraw/zinc/33/11/19/811331119.db2.gz NROLXWOMEADMKS-NWANDNLSSA-N 1 0 290.363 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(OC3CCC3)CC2)C1 ZINC001169011799 811334338 /nfs/dbraw/zinc/33/43/38/811334338.db2.gz MKCJZDPADUPMMB-CHWSQXEVSA-N 1 0 282.384 2.465 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ncccc32)C1 ZINC001168986865 811336938 /nfs/dbraw/zinc/33/69/38/811336938.db2.gz FOGKOHKAKOCIIL-UHIISALHSA-N 1 0 261.325 2.104 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001169033182 811344258 /nfs/dbraw/zinc/34/42/58/811344258.db2.gz BGWPYYUMUVCNSP-GMTAPVOTSA-N 1 0 262.300 2.409 20 5 CEBDRO Cc1cc2c(cn1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039114 811348734 /nfs/dbraw/zinc/34/87/34/811348734.db2.gz NENJDOOQXJHDGR-FZMZJTMJSA-N 1 0 261.325 2.151 20 5 CEBDRO Cc1nnc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)o1 ZINC001169038972 811349726 /nfs/dbraw/zinc/34/97/26/811349726.db2.gz LZIHJOKIPDRVJJ-WCQYABFASA-N 1 0 294.355 2.003 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)n1 ZINC001169231488 811446143 /nfs/dbraw/zinc/44/61/43/811446143.db2.gz KKFNMTRZRILVFB-QMMMGPOBSA-N 1 0 271.280 2.282 20 5 CEBDRO CCOc1cc(-n2ccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001169726428 811628385 /nfs/dbraw/zinc/62/83/85/811628385.db2.gz WZXSBJPNGNROHO-UHFFFAOYSA-N 1 0 261.281 2.243 20 5 CEBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000771286893 811954317 /nfs/dbraw/zinc/95/43/17/811954317.db2.gz HGUCAGLZEFNSGR-ZJUUUORDSA-N 1 0 294.311 2.032 20 5 CEBDRO CN(c1cc(Cl)ncc1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156956174 811973139 /nfs/dbraw/zinc/97/31/39/811973139.db2.gz NEPWHXXDZACGNP-LBPRGKRZSA-N 1 0 284.747 2.222 20 5 CEBDRO CC(C)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123223747 815489543 /nfs/dbraw/zinc/48/95/43/815489543.db2.gz IVCBMAFHMJWEIC-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO O=[N+]([O-])c1cc(NC[C@H]2COCC[NH2+]2)cc2ccccc21 ZINC001170047727 812003096 /nfs/dbraw/zinc/00/30/96/812003096.db2.gz RETAFQHRZJEIAM-ZDUSSCGKSA-N 1 0 287.319 2.148 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001123454155 815519600 /nfs/dbraw/zinc/51/96/00/815519600.db2.gz VUQYYPVLYPZIIU-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC001170295245 812375685 /nfs/dbraw/zinc/37/56/85/812375685.db2.gz BWBJYTCFZFGPPW-NEPJUHHUSA-N 1 0 295.383 2.074 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170299838 812376039 /nfs/dbraw/zinc/37/60/39/812376039.db2.gz WQQHKWFRLIFHMF-LLVKDONJSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC001170298406 812376729 /nfs/dbraw/zinc/37/67/29/812376729.db2.gz KZUOOPGTWJWIQU-NSHDSACASA-N 1 0 296.367 2.143 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)CCF)c([N+](=O)[O-])c1 ZINC001170356067 812392297 /nfs/dbraw/zinc/39/22/97/812392297.db2.gz VWKNBUILQOSZNH-JTQLQIEISA-N 1 0 270.304 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)CC2 ZINC001172902154 815539319 /nfs/dbraw/zinc/53/93/19/815539319.db2.gz WCKJFFDYPHAXMZ-KCPJHIHWSA-N 1 0 290.363 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC001172900545 815539408 /nfs/dbraw/zinc/53/94/08/815539408.db2.gz VLUAUYSGFRCUEH-DOMZBBRYSA-N 1 0 290.363 2.468 20 5 CEBDRO CC(C)N(c1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1CC[NH2+]C1 ZINC001158025514 812595772 /nfs/dbraw/zinc/59/57/72/812595772.db2.gz NEZWFGGCJVNKKQ-SNVBAGLBSA-N 1 0 289.339 2.048 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCF)CC2 ZINC001172899074 815539915 /nfs/dbraw/zinc/53/99/15/815539915.db2.gz LCSGDLJTTLFWSD-GFCCVEGCSA-N 1 0 252.289 2.401 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902957 815540644 /nfs/dbraw/zinc/54/06/44/815540644.db2.gz NPLDYAKKJFEEII-BXUZGUMPSA-N 1 0 278.352 2.203 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908097 815540982 /nfs/dbraw/zinc/54/09/82/815540982.db2.gz KZIUIJUMUXDSJJ-DIOULYMOSA-N 1 0 290.363 2.297 20 5 CEBDRO [NH3+]Cc1ccnn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896346 815543157 /nfs/dbraw/zinc/54/31/57/815543157.db2.gz OLWRMSBQFXHQMA-CYBMUJFWSA-N 1 0 286.335 2.370 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158435244 812706451 /nfs/dbraw/zinc/70/64/51/812706451.db2.gz WXBXTNCGLCQHKN-LBPRGKRZSA-N 1 0 284.319 2.037 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@H]1C ZINC000754078956 814117639 /nfs/dbraw/zinc/11/76/39/814117639.db2.gz CMNJIOQUQPDNQZ-GFCCVEGCSA-N 1 0 293.367 2.272 20 5 CEBDRO COc1ccc(OC[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000697086745 814644713 /nfs/dbraw/zinc/64/47/13/814644713.db2.gz MAXYJSBKGNMLHN-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116202356 814840329 /nfs/dbraw/zinc/84/03/29/814840329.db2.gz JDIJZRKAJRTXJS-WDEREUQCSA-N 1 0 284.385 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCC(C)C ZINC001116484139 814857469 /nfs/dbraw/zinc/85/74/69/814857469.db2.gz WXFIJLYHOHOBJF-GFCCVEGCSA-N 1 0 293.367 2.326 20 5 CEBDRO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000714068125 814885866 /nfs/dbraw/zinc/88/58/66/814885866.db2.gz PYRIVNFSIZDEJU-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC001117264323 814911320 /nfs/dbraw/zinc/91/13/20/814911320.db2.gz MXDPUAXNVZYCAI-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001173217871 815624667 /nfs/dbraw/zinc/62/46/67/815624667.db2.gz MVEIMYRJMNJKFI-LERXQTSPSA-N 1 0 264.325 2.029 20 5 CEBDRO CCOC(=O)[C@@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222777 815628225 /nfs/dbraw/zinc/62/82/25/815628225.db2.gz ZCVITRRJUWZFHR-NWDGAFQWSA-N 1 0 294.351 2.315 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCN(C)C1 ZINC001173226034 815629607 /nfs/dbraw/zinc/62/96/07/815629607.db2.gz HFMKPOHHQDHOKY-DOMZBBRYSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C)CCOC1 ZINC001173229182 815630545 /nfs/dbraw/zinc/63/05/45/815630545.db2.gz LTSNRBLYMXDATC-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C(N)=O)C(C)(C)C ZINC001173232666 815632306 /nfs/dbraw/zinc/63/23/06/815632306.db2.gz FKESCRIQDPQFDS-ZWNOBZJWSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001173234000 815633039 /nfs/dbraw/zinc/63/30/39/815633039.db2.gz NUFMKOYCCXFJOO-CORIIIEPSA-N 1 0 276.336 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CC2)C1 ZINC001173231601 815633050 /nfs/dbraw/zinc/63/30/50/815633050.db2.gz NCHURMQMTYCGIF-GFCCVEGCSA-N 1 0 276.336 2.391 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC1 ZINC001173214833 815637245 /nfs/dbraw/zinc/63/72/45/815637245.db2.gz QTJMZCJQUKCEST-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149434480 816773373 /nfs/dbraw/zinc/77/33/73/816773373.db2.gz BPFYCHDMFPSDEX-BDAKNGLRSA-N 1 0 284.747 2.207 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ccnc1 ZINC000449075950 282090390 /nfs/dbraw/zinc/09/03/90/282090390.db2.gz OGMPXTRVDAROAK-CHWSQXEVSA-N 1 0 288.351 2.401 20 5 CEBDRO CCN(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108158 282103310 /nfs/dbraw/zinc/10/33/10/282103310.db2.gz PXFFHIHSGGYFEH-GFCCVEGCSA-N 1 0 265.357 2.067 20 5 CEBDRO CCSCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000273835547 192327363 /nfs/dbraw/zinc/32/73/63/192327363.db2.gz YWTMJWRLWAZGTE-UHFFFAOYSA-N 1 0 270.354 2.446 20 5 CEBDRO C[NH+](C)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035081383 361808342 /nfs/dbraw/zinc/80/83/42/361808342.db2.gz RNSLZRCLQFAHSA-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000034994539 361802553 /nfs/dbraw/zinc/80/25/53/361802553.db2.gz IHHQYSCTPXONJR-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000121820117 365618489 /nfs/dbraw/zinc/61/84/89/365618489.db2.gz AGBCPXYSBORGAK-DGCLKSJQSA-N 1 0 291.351 2.080 20 5 CEBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])c(C)nn1C ZINC000350670102 219046825 /nfs/dbraw/zinc/04/68/25/219046825.db2.gz PWTYELJVKANSDO-UHFFFAOYSA-N 1 0 297.403 2.195 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324965 346821396 /nfs/dbraw/zinc/82/13/96/346821396.db2.gz SQKDMWKTYJJBEJ-CQSZACIVSA-N 1 0 277.368 2.341 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333338 346822901 /nfs/dbraw/zinc/82/29/01/346822901.db2.gz CKMJPSRNUMQFOJ-HIFRSBDPSA-N 1 0 275.352 2.169 20 5 CEBDRO [NH3+]CCCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000125306040 187179211 /nfs/dbraw/zinc/17/92/11/187179211.db2.gz JPWMSIOJFSWZEJ-UHFFFAOYSA-N 1 0 260.297 2.294 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977017 361877039 /nfs/dbraw/zinc/87/70/39/361877039.db2.gz OZNVGSLOEDOTOY-ZIAGYGMSSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000037668393 361921595 /nfs/dbraw/zinc/92/15/95/361921595.db2.gz RTALSCDTFWTLDZ-TYNCELHUSA-N 1 0 277.368 2.413 20 5 CEBDRO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766591 361933187 /nfs/dbraw/zinc/93/31/87/361933187.db2.gz PCBZHLCJZBBESR-SNVBAGLBSA-N 1 0 277.324 2.044 20 5 CEBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782868 361936746 /nfs/dbraw/zinc/93/67/46/361936746.db2.gz YMMHDRFOCVMFRP-VXGBXAGGSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000037782985 361937121 /nfs/dbraw/zinc/93/71/21/361937121.db2.gz PMJDSXVZCRWTOT-NWDGAFQWSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+]1CCC(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000037977208 361969716 /nfs/dbraw/zinc/96/97/16/361969716.db2.gz GPXFLMICHAYUOC-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000080611259 344016774 /nfs/dbraw/zinc/01/67/74/344016774.db2.gz GOXRKKCMNATJPR-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO CCc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000357665118 529634783 /nfs/dbraw/zinc/63/47/83/529634783.db2.gz NZROILFIFQWDJW-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000041159059 362022394 /nfs/dbraw/zinc/02/23/94/362022394.db2.gz ZOGJJSHFBAJDQH-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO CCC(CC)(CO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000126415312 187238397 /nfs/dbraw/zinc/23/83/97/187238397.db2.gz ZCONKQXASQTKOO-UHFFFAOYSA-N 1 0 266.341 2.483 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426090 282231315 /nfs/dbraw/zinc/23/13/15/282231315.db2.gz QRPOVEUCWRRYMF-ZIAGYGMSSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000047873394 362229122 /nfs/dbraw/zinc/22/91/22/362229122.db2.gz XSZAPOPBFPBSNZ-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=C(NCC[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000045208556 343481966 /nfs/dbraw/zinc/48/19/66/343481966.db2.gz LFORKAZRKZWKES-UHFFFAOYSA-N 1 0 292.339 2.202 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000038042143 282274727 /nfs/dbraw/zinc/27/47/27/282274727.db2.gz KFAXHIVIDZJHLC-NSHDSACASA-N 1 0 295.387 2.171 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449547939 282279640 /nfs/dbraw/zinc/27/96/40/282279640.db2.gz ZCRFZSDACJWLBZ-GVXVVHGQSA-N 1 0 266.341 2.275 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972625 346947096 /nfs/dbraw/zinc/94/70/96/346947096.db2.gz HNXIDOXXNPPFIR-UTUOFQBUSA-N 1 0 262.309 2.234 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449565772 282285898 /nfs/dbraw/zinc/28/58/98/282285898.db2.gz LGHBECHTCDWTTJ-SECBINFHSA-N 1 0 299.758 2.034 20 5 CEBDRO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000127965952 187343584 /nfs/dbraw/zinc/34/35/84/187343584.db2.gz DGVKZOJBOCCSCN-NSHDSACASA-N 1 0 291.351 2.291 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063465545 343677861 /nfs/dbraw/zinc/67/78/61/343677861.db2.gz IRVGYPMSPKXTFY-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000060842422 343663200 /nfs/dbraw/zinc/66/32/00/343663200.db2.gz FHNZAFSSAYBFEN-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)CC2CC2)cc1 ZINC000064516020 343691145 /nfs/dbraw/zinc/69/11/45/343691145.db2.gz AHXUPGLDEGXDGU-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000602170374 346986807 /nfs/dbraw/zinc/98/68/07/346986807.db2.gz JGENKBNJMCGMIS-VHSXEESVSA-N 1 0 297.380 2.115 20 5 CEBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698175 343809466 /nfs/dbraw/zinc/80/94/66/343809466.db2.gz YVXCGURODNBGFH-GWCFXTLKSA-N 1 0 291.351 2.314 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602174302 346988522 /nfs/dbraw/zinc/98/85/22/346988522.db2.gz TVMLXSLJFMGLPY-STQMWFEESA-N 1 0 291.351 2.053 20 5 CEBDRO CCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000078251285 343943935 /nfs/dbraw/zinc/94/39/35/343943935.db2.gz JYHDOICYOUKOFL-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccncc2)cs1 ZINC000048262234 362252145 /nfs/dbraw/zinc/25/21/45/362252145.db2.gz OLAQFAGAFXPGFR-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO COC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048331286 362256033 /nfs/dbraw/zinc/25/60/33/362256033.db2.gz CLNKGHDSSWWQKW-UHFFFAOYSA-N 1 0 292.335 2.022 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000048326892 362256082 /nfs/dbraw/zinc/25/60/82/362256082.db2.gz DHWARNFNPORRAZ-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449643117 282316120 /nfs/dbraw/zinc/31/61/20/282316120.db2.gz YNYOVRYIWAEDQP-YPMHNXCESA-N 1 0 291.351 2.151 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000078583646 343958264 /nfs/dbraw/zinc/95/82/64/343958264.db2.gz CDBPKWZOIIGLFX-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CC1 ZINC000048580023 362287816 /nfs/dbraw/zinc/28/78/16/362287816.db2.gz QQGJZNZRNIFQDV-SNVBAGLBSA-N 1 0 277.324 2.264 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088719017 344112757 /nfs/dbraw/zinc/11/27/57/344112757.db2.gz FDYGWQNETYSLEV-ZDUSSCGKSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000088716406 344113010 /nfs/dbraw/zinc/11/30/10/344113010.db2.gz WPLLMLURQIHLCE-UHFFFAOYSA-N 1 0 289.339 2.405 20 5 CEBDRO COc1cc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000091459698 344164233 /nfs/dbraw/zinc/16/42/33/344164233.db2.gz CDAPCLXQPHLMHG-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927536 344131535 /nfs/dbraw/zinc/13/15/35/344131535.db2.gz IHWGIBNWCONVLN-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000049480648 362366631 /nfs/dbraw/zinc/36/66/31/362366631.db2.gz ZPFVIJIIHFFTAX-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000093414435 344223382 /nfs/dbraw/zinc/22/33/82/344223382.db2.gz GGGIGYPSGHKVIK-SOFGYWHQSA-N 1 0 264.325 2.311 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])n1 ZINC000602448681 347037771 /nfs/dbraw/zinc/03/77/71/347037771.db2.gz LYTSCGWLAUZYFQ-ZDUSSCGKSA-N 1 0 278.356 2.483 20 5 CEBDRO CCc1nn(C)c(NC[C@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000094135229 344234011 /nfs/dbraw/zinc/23/40/11/344234011.db2.gz MQLACVKHSXBOGG-JTQLQIEISA-N 1 0 283.376 2.033 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127206002 187289548 /nfs/dbraw/zinc/28/95/48/187289548.db2.gz AWTWRFCFWFDKIH-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO CCCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602437890 347032780 /nfs/dbraw/zinc/03/27/80/347032780.db2.gz FGJLAKWUJHTUNZ-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000092657464 344198771 /nfs/dbraw/zinc/19/87/71/344198771.db2.gz ZXWQUFAYOSLAQD-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO CCC(CC)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602440803 347033345 /nfs/dbraw/zinc/03/33/45/347033345.db2.gz KVWSCLLJHBZAJF-UHFFFAOYSA-N 1 0 266.345 2.481 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602454618 347040717 /nfs/dbraw/zinc/04/07/17/347040717.db2.gz OKNNDTHRJKIWHH-JQWIXIFHSA-N 1 0 264.329 2.093 20 5 CEBDRO COc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111046762 344270367 /nfs/dbraw/zinc/27/03/67/344270367.db2.gz DRXKVPWILPWYME-LLVKDONJSA-N 1 0 291.351 2.500 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)O ZINC000119046120 344293423 /nfs/dbraw/zinc/29/34/23/344293423.db2.gz AHGWRFVDTFIZNG-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO CCS[C@@H]1CCCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470696 347045567 /nfs/dbraw/zinc/04/55/67/347045567.db2.gz CMABAHDVPHIXMK-GFCCVEGCSA-N 1 0 298.412 2.436 20 5 CEBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000131077263 344356240 /nfs/dbraw/zinc/35/62/40/344356240.db2.gz NJTRPTMUUYFPLE-YUTCNCBUSA-N 1 0 275.352 2.467 20 5 CEBDRO CC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602472716 347047623 /nfs/dbraw/zinc/04/76/23/347047623.db2.gz JSNXBBPFDATOPL-NSHDSACASA-N 1 0 266.345 2.340 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000132489364 344363857 /nfs/dbraw/zinc/36/38/57/344363857.db2.gz RLPQGUCUDBWNMQ-NEPJUHHUSA-N 1 0 261.325 2.234 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000122537836 344307070 /nfs/dbraw/zinc/30/70/70/344307070.db2.gz GENUIXDYRNEOQB-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475383 347049709 /nfs/dbraw/zinc/04/97/09/347049709.db2.gz VOOGZUQBYRSKDB-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO C[NH+](C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963226 362388272 /nfs/dbraw/zinc/38/82/72/362388272.db2.gz QYGHBIWWBHSSJQ-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449721862 282342423 /nfs/dbraw/zinc/34/24/23/282342423.db2.gz KFZOTZQESKYWAC-GWCFXTLKSA-N 1 0 291.351 2.014 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000168679699 344481028 /nfs/dbraw/zinc/48/10/28/344481028.db2.gz JEDCIZCJLVBERV-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000050162413 362407225 /nfs/dbraw/zinc/40/72/25/362407225.db2.gz OQVQKJUNQIDQOS-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO CCOCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602502762 347059273 /nfs/dbraw/zinc/05/92/73/347059273.db2.gz NFGMUCZWELTSKO-UHFFFAOYSA-N 1 0 279.296 2.252 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000051896548 362447464 /nfs/dbraw/zinc/44/74/64/362447464.db2.gz LUCYJOYPUOSAGO-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000052128228 362467333 /nfs/dbraw/zinc/46/73/33/362467333.db2.gz LGSUJWKNZYSVIW-UHFFFAOYSA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602503414 347059448 /nfs/dbraw/zinc/05/94/48/347059448.db2.gz IWKRUMCOFCUOJQ-LLVKDONJSA-N 1 0 278.356 2.347 20 5 CEBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000053185650 362485139 /nfs/dbraw/zinc/48/51/39/362485139.db2.gz FUOSFKMCFBRKQG-UHFFFAOYSA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533432 344636576 /nfs/dbraw/zinc/63/65/76/344636576.db2.gz ALJYCOQBKZHWMV-TZMCWYRMSA-N 1 0 263.341 2.154 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@H]1CCO1 ZINC000602517019 347064661 /nfs/dbraw/zinc/06/46/61/347064661.db2.gz VIRJZDVKUVFPBU-LBPRGKRZSA-N 1 0 250.298 2.254 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000313872209 344744059 /nfs/dbraw/zinc/74/40/59/344744059.db2.gz ZQDYVHWLEAQWDW-GFCCVEGCSA-N 1 0 295.387 2.262 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000602573718 347083901 /nfs/dbraw/zinc/08/39/01/347083901.db2.gz LWIAFWHVCFFANQ-GXFFZTMASA-N 1 0 291.351 2.198 20 5 CEBDRO CC1CC[NH+](CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401176993 344867266 /nfs/dbraw/zinc/86/72/66/344867266.db2.gz FHOAWIIXIHDPSP-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266884 344872227 /nfs/dbraw/zinc/87/22/27/344872227.db2.gz IKRZJYKFIDMAOE-SCZZXKLOSA-N 1 0 254.261 2.001 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220525 344878373 /nfs/dbraw/zinc/87/83/73/344878373.db2.gz XFERUQJARBZQTD-IUODEOHRSA-N 1 0 294.351 2.095 20 5 CEBDRO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222903 344878699 /nfs/dbraw/zinc/87/86/99/344878699.db2.gz ZPVDROPUZDUVBQ-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404398745 344880055 /nfs/dbraw/zinc/88/00/55/344880055.db2.gz PZBNVRGNEJLCKR-RISCZKNCSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404398746 344880122 /nfs/dbraw/zinc/88/01/22/344880122.db2.gz PZBNVRGNEJLCKR-SMDDNHRTSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577087 347085700 /nfs/dbraw/zinc/08/57/00/347085700.db2.gz RLAJSADLGFRQTF-UWVGGRQHSA-N 1 0 291.307 2.393 20 5 CEBDRO CCN1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000588006063 345033727 /nfs/dbraw/zinc/03/37/27/345033727.db2.gz PBGHWVXKJPUVSM-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589101972 345065652 /nfs/dbraw/zinc/06/56/52/345065652.db2.gz QQKOTRPWOBWGCP-UHFFFAOYSA-N 1 0 289.257 2.365 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590566676 345145768 /nfs/dbraw/zinc/14/57/68/345145768.db2.gz PCFMQTSKGSSLBG-NWDGAFQWSA-N 1 0 291.351 2.068 20 5 CEBDRO CC/C=C/C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658984 345156870 /nfs/dbraw/zinc/15/68/70/345156870.db2.gz YJJLKTGORFKDPD-ONEGZZNKSA-N 1 0 278.308 2.422 20 5 CEBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590661458 345157142 /nfs/dbraw/zinc/15/71/42/345157142.db2.gz ROLKFXMTQPMLCM-CAMLPZEUSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000591147560 345225075 /nfs/dbraw/zinc/22/50/75/345225075.db2.gz GRYZBLOFEWGYLC-SECBINFHSA-N 1 0 282.319 2.271 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437010 345253856 /nfs/dbraw/zinc/25/38/56/345253856.db2.gz DMDZZLMADDZDEO-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ncccc12 ZINC000591439584 345254855 /nfs/dbraw/zinc/25/48/55/345254855.db2.gz WLSGANXUHJBRHL-DGCLKSJQSA-N 1 0 298.346 2.331 20 5 CEBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591478415 345261315 /nfs/dbraw/zinc/26/13/15/345261315.db2.gz JDDFUBZHKBRVJD-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000591562347 345264640 /nfs/dbraw/zinc/26/46/40/345264640.db2.gz KPFWOXCHCKODLV-UHFFFAOYSA-N 1 0 275.352 2.231 20 5 CEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CCCC[NH2+]1)CCCC2 ZINC000592466764 345357180 /nfs/dbraw/zinc/35/71/80/345357180.db2.gz YONBSILAXQZLAU-GFCCVEGCSA-N 1 0 290.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471206 345358584 /nfs/dbraw/zinc/35/85/84/345358584.db2.gz JSOXVAJOWQVVOL-UHFFFAOYSA-N 1 0 293.342 2.450 20 5 CEBDRO CC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457390 345490543 /nfs/dbraw/zinc/49/05/43/345490543.db2.gz DWNQBMMXWMDBHK-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000127448109 187306287 /nfs/dbraw/zinc/30/62/87/187306287.db2.gz WZFAPQIZKCYYLI-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CCF)CCC2 ZINC000593718696 345526778 /nfs/dbraw/zinc/52/67/78/345526778.db2.gz PCNHBTMGSKZQES-BXUZGUMPSA-N 1 0 282.315 2.282 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725270 345527716 /nfs/dbraw/zinc/52/77/16/345527716.db2.gz WXRSHENIRGHLQH-WFASDCNBSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000593724074 345528045 /nfs/dbraw/zinc/52/80/45/345528045.db2.gz UNQFWPHYDDJRDX-GFCCVEGCSA-N 1 0 291.351 2.176 20 5 CEBDRO O=C(NCCC1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593763270 345534481 /nfs/dbraw/zinc/53/44/81/345534481.db2.gz IJONFRABACZYMQ-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594615719 345662722 /nfs/dbraw/zinc/66/27/22/345662722.db2.gz PPDOAWLZUBJZQA-LLVKDONJSA-N 1 0 264.325 2.248 20 5 CEBDRO CN1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505494 345639613 /nfs/dbraw/zinc/63/96/13/345639613.db2.gz WTSLQSLLNMVYDH-SMDDNHRTSA-N 1 0 275.352 2.266 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000594531659 345644417 /nfs/dbraw/zinc/64/44/17/345644417.db2.gz VNTLQCPQJXHPMH-UHFFFAOYSA-N 1 0 293.342 2.437 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594653044 345667511 /nfs/dbraw/zinc/66/75/11/345667511.db2.gz XHAPYUBBZOCSDE-ZDUSSCGKSA-N 1 0 289.339 2.281 20 5 CEBDRO COc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000594590850 345653032 /nfs/dbraw/zinc/65/30/32/345653032.db2.gz DYJVNSBRHFQEPO-AOOOYVTPSA-N 1 0 297.330 2.495 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C/C=C/CO)cccc1[N+](=O)[O-] ZINC000595067638 345739002 /nfs/dbraw/zinc/73/90/02/345739002.db2.gz HGLZMFKUEBQEFD-PGLGOXFNSA-N 1 0 250.298 2.102 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000595073133 345739410 /nfs/dbraw/zinc/73/94/10/345739410.db2.gz SDSWOMSTDLLEQY-ZYOFXKKJSA-N 1 0 264.325 2.054 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000595073130 345739594 /nfs/dbraw/zinc/73/95/94/345739594.db2.gz SDSWOMSTDLLEQY-RXNFCKPNSA-N 1 0 264.325 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000594925894 345704929 /nfs/dbraw/zinc/70/49/29/345704929.db2.gz PULXWXLQMFQXPM-UHFFFAOYSA-N 1 0 286.335 2.491 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCO ZINC000595009888 345726113 /nfs/dbraw/zinc/72/61/13/345726113.db2.gz UEMSYFLYYCQPMV-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018294 345727934 /nfs/dbraw/zinc/72/79/34/345727934.db2.gz NGKTZEAOHGHPAB-ZYHUDNBSSA-N 1 0 282.340 2.415 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023555 345729388 /nfs/dbraw/zinc/72/93/88/345729388.db2.gz CWBPCPLCSKURBT-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602580120 347087238 /nfs/dbraw/zinc/08/72/38/347087238.db2.gz NDRJMRDZEYGLAE-SNVBAGLBSA-N 1 0 295.314 2.077 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000595039224 345733036 /nfs/dbraw/zinc/73/30/36/345733036.db2.gz DODVGIOHIMQYAJ-ZBOXLXRLSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)OC ZINC000595043735 345733257 /nfs/dbraw/zinc/73/32/57/345733257.db2.gz ZRADTIDXMZGSMD-VHSXEESVSA-N 1 0 268.313 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)OC ZINC000595043736 345733467 /nfs/dbraw/zinc/73/34/67/345733467.db2.gz ZRADTIDXMZGSMD-ZJUUUORDSA-N 1 0 268.313 2.289 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)C1CCC1 ZINC000595056179 345735904 /nfs/dbraw/zinc/73/59/04/345735904.db2.gz BVNKUSSSTAPPMQ-ZIAGYGMSSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056541 345735989 /nfs/dbraw/zinc/73/59/89/345735989.db2.gz LLMYCZPFNJVZDY-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000595537638 345805999 /nfs/dbraw/zinc/80/59/99/345805999.db2.gz DRVBVLAFQUDRDU-KXUCPTDWSA-N 1 0 251.286 2.169 20 5 CEBDRO Cc1noc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1[N+](=O)[O-] ZINC000595556223 345812515 /nfs/dbraw/zinc/81/25/15/345812515.db2.gz AVFOTINIKOTLCY-SNVBAGLBSA-N 1 0 295.339 2.282 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407841 345776197 /nfs/dbraw/zinc/77/61/97/345776197.db2.gz HJHWAAMEDSOYRJ-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595435242 345782091 /nfs/dbraw/zinc/78/20/91/345782091.db2.gz DBWYZZIWTIOGGQ-GXSJLCMTSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1COCCO1 ZINC000595742196 345863783 /nfs/dbraw/zinc/86/37/83/345863783.db2.gz PEBHLHRSZRXHLA-RYUDHWBXSA-N 1 0 280.324 2.003 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602581040 347087827 /nfs/dbraw/zinc/08/78/27/347087827.db2.gz PAQXERLTBNCTOB-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826864 345887056 /nfs/dbraw/zinc/88/70/56/345887056.db2.gz KKLVPCODTBTBFO-QWHCGFSZSA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827861 345887423 /nfs/dbraw/zinc/88/74/23/345887423.db2.gz SUIOJAHTTFNZKR-NWDGAFQWSA-N 1 0 280.299 2.202 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595835070 345891636 /nfs/dbraw/zinc/89/16/36/345891636.db2.gz UJIREJGUBSROEL-ZIAGYGMSSA-N 1 0 276.336 2.372 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835783 345892320 /nfs/dbraw/zinc/89/23/20/345892320.db2.gz VLEUBNRAFGUJMN-WCQYABFASA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000595776750 345874073 /nfs/dbraw/zinc/87/40/73/345874073.db2.gz CUOLTYYSJLUQRD-ZIAGYGMSSA-N 1 0 276.336 2.030 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595777661 345874362 /nfs/dbraw/zinc/87/43/62/345874362.db2.gz IVSURCFISSLCOJ-CHWSQXEVSA-N 1 0 280.299 2.127 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(F)CC1 ZINC000595819355 345885964 /nfs/dbraw/zinc/88/59/64/345885964.db2.gz OLURWBYZBWEUKV-VOMCLLRMSA-N 1 0 284.335 2.298 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595873242 345903018 /nfs/dbraw/zinc/90/30/18/345903018.db2.gz KWGCBLJJGUSPHA-BXUZGUMPSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595907047 345910954 /nfs/dbraw/zinc/91/09/54/345910954.db2.gz DVGPSEGKYMFHIC-KCJUWKMLSA-N 1 0 291.273 2.477 20 5 CEBDRO CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596069370 345931939 /nfs/dbraw/zinc/93/19/39/345931939.db2.gz FJMPBCYNLGYFLB-GFCCVEGCSA-N 1 0 294.355 2.228 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596242584 345978290 /nfs/dbraw/zinc/97/82/90/345978290.db2.gz YGEGMSSBGNWMNP-JTQLQIEISA-N 1 0 282.344 2.228 20 5 CEBDRO C[NH+](C)CC1CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000596247565 345980024 /nfs/dbraw/zinc/98/00/24/345980024.db2.gz QZXQRXKNZZDWNS-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251086 345980723 /nfs/dbraw/zinc/98/07/23/345980723.db2.gz MEMGOBOLQWWVSN-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000596305862 345995417 /nfs/dbraw/zinc/99/54/17/345995417.db2.gz BOPYAGHCDDKYCF-JTQLQIEISA-N 1 0 264.329 2.275 20 5 CEBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596305859 345995531 /nfs/dbraw/zinc/99/55/31/345995531.db2.gz BLWWKFMNHVTHNG-SNVBAGLBSA-N 1 0 295.387 2.175 20 5 CEBDRO Cc1c([C@@H](C)NCC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000596652844 346072138 /nfs/dbraw/zinc/07/21/38/346072138.db2.gz JFQIOCGPZNGORM-XIKARTHZSA-N 1 0 275.352 2.306 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000311545032 201892440 /nfs/dbraw/zinc/89/24/40/201892440.db2.gz ZEBXHCXXXNJKSS-OLZOCXBDSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597047900 346120223 /nfs/dbraw/zinc/12/02/23/346120223.db2.gz RXMWQVVWTWJIRA-GXTWGEPZSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597052419 346121060 /nfs/dbraw/zinc/12/10/60/346121060.db2.gz BTWCEEVRFCUNPO-IUODEOHRSA-N 1 0 292.335 2.131 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1C[NH+](C)C1 ZINC000597204902 346148308 /nfs/dbraw/zinc/14/83/08/346148308.db2.gz GXXJLYMEWUJZDQ-UHFFFAOYSA-N 1 0 283.759 2.242 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000312679097 201911601 /nfs/dbraw/zinc/91/16/01/201911601.db2.gz KOYDOMQFPMSHTB-SNVBAGLBSA-N 1 0 280.328 2.234 20 5 CEBDRO Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000295130417 199362029 /nfs/dbraw/zinc/36/20/29/199362029.db2.gz XZBHFRJSRNFECV-LLVKDONJSA-N 1 0 293.371 2.370 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598343339 346331903 /nfs/dbraw/zinc/33/19/03/346331903.db2.gz VBAWUBORDBVGOE-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000598341912 346332072 /nfs/dbraw/zinc/33/20/72/346332072.db2.gz IEQPBOKDTGBTOS-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000598342399 346332146 /nfs/dbraw/zinc/33/21/46/346332146.db2.gz MNUIACZXIPMKTH-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598265547 346316679 /nfs/dbraw/zinc/31/66/79/346316679.db2.gz UJQXALFIHLMPKE-NSHDSACASA-N 1 0 295.339 2.038 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598677247 346399192 /nfs/dbraw/zinc/39/91/92/346399192.db2.gz NVGIYWQKZILHGJ-FZMZJTMJSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000598915735 346434010 /nfs/dbraw/zinc/43/40/10/346434010.db2.gz NQKKLKIAFJLYRS-LBPRGKRZSA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000602600236 347094801 /nfs/dbraw/zinc/09/48/01/347094801.db2.gz UOEKLVPJTQDALF-AULYBMBSSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]21 ZINC000599082258 346457382 /nfs/dbraw/zinc/45/73/82/346457382.db2.gz AMCJQESMVCVJDB-NHAGDIPZSA-N 1 0 298.346 2.139 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CC[C@H]1C2 ZINC000599084193 346458015 /nfs/dbraw/zinc/45/80/15/346458015.db2.gz UHGJWAYLZDOXAG-NSHDSACASA-N 1 0 284.319 2.037 20 5 CEBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596135 347093105 /nfs/dbraw/zinc/09/31/05/347093105.db2.gz HOJVBYFLNDGTTA-FZMZJTMJSA-N 1 0 278.356 2.340 20 5 CEBDRO CC(=O)c1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000063052156 362746700 /nfs/dbraw/zinc/74/67/00/362746700.db2.gz GSKGQVWFIPBNLP-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO Cc1cc(NC[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599175246 346473236 /nfs/dbraw/zinc/47/32/36/346473236.db2.gz ULZRVYIDMSUDLZ-KLPPZKSPSA-N 1 0 287.319 2.056 20 5 CEBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000063248200 362763414 /nfs/dbraw/zinc/76/34/14/362763414.db2.gz OMJOFAYWAQRACU-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CCCF)CC1 ZINC000599672855 346560557 /nfs/dbraw/zinc/56/05/57/346560557.db2.gz XEKOULGJYKXDPK-UHFFFAOYSA-N 1 0 299.321 2.211 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599683468 346564192 /nfs/dbraw/zinc/56/41/92/346564192.db2.gz JSXWKPMRDIMNMC-CUOATXAZSA-N 1 0 280.299 2.079 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599605185 346545227 /nfs/dbraw/zinc/54/52/27/346545227.db2.gz VDQKHSLMSQEMJL-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO Cc1ccc([C@@H](C)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600710175 346675231 /nfs/dbraw/zinc/67/52/31/346675231.db2.gz QUQRWAZQDJEFCS-GFCCVEGCSA-N 1 0 293.367 2.062 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000600883743 346703926 /nfs/dbraw/zinc/70/39/26/346703926.db2.gz AQZVWIWPVMXRCV-KOLCDFICSA-N 1 0 296.758 2.222 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600713109 346676063 /nfs/dbraw/zinc/67/60/63/346676063.db2.gz DZSOUMQJTHXQIS-GLQYFDAESA-N 1 0 289.379 2.256 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165436 346774547 /nfs/dbraw/zinc/77/45/47/346774547.db2.gz OLHUGMQJKCCROM-CMPLNLGQSA-N 1 0 294.330 2.192 20 5 CEBDRO CCC1(CNc2ccnc3ccc([N+](=O)[O-])cc32)COC1 ZINC000601170523 346776529 /nfs/dbraw/zinc/77/65/29/346776529.db2.gz AJXABBZMIPKAQS-UHFFFAOYSA-N 1 0 287.319 2.403 20 5 CEBDRO Nc1cc[nH+]c2c1CN(c1ccsc1[N+](=O)[O-])CC2 ZINC000601184242 346779801 /nfs/dbraw/zinc/77/98/01/346779801.db2.gz JRXYOZXAVFVNIT-UHFFFAOYSA-N 1 0 276.321 2.196 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109952 346755596 /nfs/dbraw/zinc/75/55/96/346755596.db2.gz WXMGCPGJLXLDBX-LLVKDONJSA-N 1 0 282.319 2.096 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619721 347106518 /nfs/dbraw/zinc/10/65/18/347106518.db2.gz PWWKGTUSYGCPFN-XQJDBVBESA-N 1 0 264.325 2.054 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635650 347116346 /nfs/dbraw/zinc/11/63/46/347116346.db2.gz AULVEXLDAJDTQW-RKDXNWHRSA-N 1 0 292.364 2.455 20 5 CEBDRO Cn1cc(C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602645250 347121132 /nfs/dbraw/zinc/12/11/32/347121132.db2.gz QWKXVLQAQOVAQB-UHFFFAOYSA-N 1 0 264.329 2.093 20 5 CEBDRO COCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602650338 347122961 /nfs/dbraw/zinc/12/29/61/347122961.db2.gz FPQLBKIAIMAZNQ-UHFFFAOYSA-N 1 0 291.307 2.395 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602672903 347135420 /nfs/dbraw/zinc/13/54/20/347135420.db2.gz RJWMBNGNIKYQNB-UHFFFAOYSA-N 1 0 293.323 2.498 20 5 CEBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])sn1 ZINC000602659268 347127821 /nfs/dbraw/zinc/12/78/21/347127821.db2.gz LCUYIOPSKDCUAD-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667125 347132246 /nfs/dbraw/zinc/13/22/46/347132246.db2.gz NTKUDPPGPWINCH-CJNGLKHVSA-N 1 0 291.395 2.409 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(C)CC1 ZINC000602771944 347192600 /nfs/dbraw/zinc/19/26/00/347192600.db2.gz CMZSOHZRKLYFPF-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776042 347193591 /nfs/dbraw/zinc/19/35/91/347193591.db2.gz OHNVRQYKDMTMFL-UWVGGRQHSA-N 1 0 252.318 2.091 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798186 347203337 /nfs/dbraw/zinc/20/33/37/347203337.db2.gz AYJTVPUJIVWLHQ-UWVGGRQHSA-N 1 0 254.334 2.124 20 5 CEBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818202 347211816 /nfs/dbraw/zinc/21/18/16/347211816.db2.gz LVTMFLDBDIJMMR-JQWIXIFHSA-N 1 0 266.345 2.220 20 5 CEBDRO Cn1cc(C[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])n1 ZINC000602821208 347213663 /nfs/dbraw/zinc/21/36/63/347213663.db2.gz MUDLYFZAYHVZLL-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000602849903 347224041 /nfs/dbraw/zinc/22/40/41/347224041.db2.gz BXWBDHFTEICPHO-STQMWFEESA-N 1 0 278.356 2.364 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1(C)C ZINC000603399982 347359523 /nfs/dbraw/zinc/35/95/23/347359523.db2.gz GDHJJQMUPUIINQ-MNOVXSKESA-N 1 0 264.329 2.130 20 5 CEBDRO CC(C)C[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000603845738 347391644 /nfs/dbraw/zinc/39/16/44/347391644.db2.gz JZYOGWGZHPWZBN-NSHDSACASA-N 1 0 266.345 2.378 20 5 CEBDRO CSCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477492 347417414 /nfs/dbraw/zinc/41/74/14/347417414.db2.gz ZCQHASUMNMQORM-SNVBAGLBSA-N 1 0 297.380 2.265 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129776309 365893193 /nfs/dbraw/zinc/89/31/93/365893193.db2.gz NECXPOWYFPXOFA-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832067 365896581 /nfs/dbraw/zinc/89/65/81/365896581.db2.gz LIPQAEOINFMCRE-DGCLKSJQSA-N 1 0 282.340 2.297 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000609846045 347652365 /nfs/dbraw/zinc/65/23/65/347652365.db2.gz SCQYTKBHPHAQJJ-AWEZNQCLSA-N 1 0 266.341 2.278 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610431553 347681248 /nfs/dbraw/zinc/68/12/48/347681248.db2.gz IGDMUSAMULUNFN-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO C[C@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000610481343 347683659 /nfs/dbraw/zinc/68/36/59/347683659.db2.gz CTVNKPWOVJWSLG-VIFPVBQESA-N 1 0 254.334 2.195 20 5 CEBDRO Cc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000610484829 347684429 /nfs/dbraw/zinc/68/44/29/347684429.db2.gz BOFQFDPPUYACNX-UHFFFAOYSA-N 1 0 290.323 2.357 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCc3sccc3C2)n1 ZINC000610485062 347684459 /nfs/dbraw/zinc/68/44/59/347684459.db2.gz JGOCMOMYFUGJTH-UHFFFAOYSA-N 1 0 292.364 2.301 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000610512626 347687884 /nfs/dbraw/zinc/68/78/84/347687884.db2.gz ZXQQGPAKCFOXPK-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610990642 347728231 /nfs/dbraw/zinc/72/82/31/347728231.db2.gz FAFAYQYLVXZYDN-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000611084364 347737151 /nfs/dbraw/zinc/73/71/51/347737151.db2.gz AKKZFIGMRJPAEH-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611084696 347737913 /nfs/dbraw/zinc/73/79/13/347737913.db2.gz KTRKZTCRZXCNFJ-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO CC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611617397 347799609 /nfs/dbraw/zinc/79/96/09/347799609.db2.gz MYVVHCBBXPQLKD-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617059 347799961 /nfs/dbraw/zinc/79/99/61/347799961.db2.gz ZUJLVIUORSSEJY-ZDUSSCGKSA-N 1 0 292.383 2.385 20 5 CEBDRO O=C(CC[N@H+]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611517373 347789455 /nfs/dbraw/zinc/78/94/55/347789455.db2.gz VPKXJTQCCKNKTB-UHFFFAOYSA-N 1 0 275.308 2.185 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000612404362 347880434 /nfs/dbraw/zinc/88/04/34/347880434.db2.gz KGKRICYXEBFIGQ-YDHLFZDLSA-N 1 0 276.336 2.106 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000612404359 347880503 /nfs/dbraw/zinc/88/05/03/347880503.db2.gz KGKRICYXEBFIGQ-GUTXKFCHSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000351935810 219255271 /nfs/dbraw/zinc/25/52/71/219255271.db2.gz NTTOPIDOBPPQQV-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000351941790 219257729 /nfs/dbraw/zinc/25/77/29/219257729.db2.gz WOZNMOHCVWDLJH-UHFFFAOYSA-N 1 0 292.335 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CC=CCC3)nc2c1 ZINC000618304514 348923747 /nfs/dbraw/zinc/92/37/47/348923747.db2.gz JXCGBXNRZWPTPR-UHFFFAOYSA-N 1 0 258.281 2.233 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000619479235 349187618 /nfs/dbraw/zinc/18/76/18/349187618.db2.gz INRJVTTXVBOQOW-LBPRGKRZSA-N 1 0 295.387 2.086 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[NH+](C)C ZINC000271219913 191009746 /nfs/dbraw/zinc/00/97/46/191009746.db2.gz FUOMRSJBQUQNJO-LLVKDONJSA-N 1 0 293.367 2.200 20 5 CEBDRO COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000090720436 180030374 /nfs/dbraw/zinc/03/03/74/180030374.db2.gz IFNKUFBWOBHDHD-AAEUAGOBSA-N 1 0 293.367 2.176 20 5 CEBDRO CCc1nn(C)c(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091562058 180191967 /nfs/dbraw/zinc/19/19/67/180191967.db2.gz LPMAHDJQEDUGPK-UHFFFAOYSA-N 1 0 297.403 2.421 20 5 CEBDRO CCc1nn(C)c(N[C@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000091561681 180192321 /nfs/dbraw/zinc/19/23/21/180192321.db2.gz QBQRLHALTIOIIQ-SNVBAGLBSA-N 1 0 283.376 2.033 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412084757 233334882 /nfs/dbraw/zinc/33/48/82/233334882.db2.gz QSZAVSSMKGJAJB-WCQYABFASA-N 1 0 264.325 2.188 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000091554084 180189366 /nfs/dbraw/zinc/18/93/66/180189366.db2.gz ONNTTXRAURRJFG-UHFFFAOYSA-N 1 0 281.360 2.017 20 5 CEBDRO C[C@@H](CNCc1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105488321 186060064 /nfs/dbraw/zinc/06/00/64/186060064.db2.gz GAXVQPQYHJRZIN-VIFPVBQESA-N 1 0 269.370 2.229 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352178157 219346957 /nfs/dbraw/zinc/34/69/57/219346957.db2.gz KGZIKMGCFSFHJH-UHFFFAOYSA-N 1 0 269.276 2.013 20 5 CEBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000092395323 180377057 /nfs/dbraw/zinc/37/70/57/180377057.db2.gz DGTRTCRGCSJSIT-LBPRGKRZSA-N 1 0 272.732 2.355 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107692077 186186846 /nfs/dbraw/zinc/18/68/46/186186846.db2.gz KZXQAXYIGZQTSN-LBPRGKRZSA-N 1 0 264.325 2.453 20 5 CEBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352222683 219369081 /nfs/dbraw/zinc/36/90/81/219369081.db2.gz SBGJOYDCEAJJHT-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504611 186257412 /nfs/dbraw/zinc/25/74/12/186257412.db2.gz NOVIJSCDXMWDAU-YUMQZZPRSA-N 1 0 262.269 2.096 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504606 186257726 /nfs/dbraw/zinc/25/77/26/186257726.db2.gz NOVIJSCDXMWDAU-JGVFFNPUSA-N 1 0 262.269 2.096 20 5 CEBDRO Cc1c(CN2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000109804438 186273827 /nfs/dbraw/zinc/27/38/27/186273827.db2.gz SKBAVPSDHQSBTF-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO CCOc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054816 186349085 /nfs/dbraw/zinc/34/90/85/186349085.db2.gz UBKUORQEYQYRMM-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO Cc1ccc(C[NH2+]CCCC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000111158468 186361365 /nfs/dbraw/zinc/36/13/65/186361365.db2.gz WJVQKSYPRSZUOE-UHFFFAOYSA-N 1 0 291.351 2.052 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000070149028 363037097 /nfs/dbraw/zinc/03/70/97/363037097.db2.gz KECPEOVNCSDFDT-LLVKDONJSA-N 1 0 295.314 2.077 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH3+])CC1 ZINC000070187768 363049919 /nfs/dbraw/zinc/04/99/19/363049919.db2.gz UKYPNWYTUIMCEC-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070173368 363047484 /nfs/dbraw/zinc/04/74/84/363047484.db2.gz UQHQCZWGTZNFAV-QWRGUYRKSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122909217 187058543 /nfs/dbraw/zinc/05/85/43/187058543.db2.gz RTPZKLCHXLNZHA-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123193158 187077140 /nfs/dbraw/zinc/07/71/40/187077140.db2.gz SXTOKOMDMVRIAS-DOMZBBRYSA-N 1 0 294.351 2.359 20 5 CEBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000072590276 363148162 /nfs/dbraw/zinc/14/81/62/363148162.db2.gz UVBHPECGCZCIMX-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072897143 363179399 /nfs/dbraw/zinc/17/93/99/363179399.db2.gz QDXLEHAUJZQPRJ-WDEREUQCSA-N 1 0 291.351 2.314 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000133469702 187686701 /nfs/dbraw/zinc/68/67/01/187686701.db2.gz OXWLJHOIUGNGIC-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO CCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292247497 198216495 /nfs/dbraw/zinc/21/64/95/198216495.db2.gz XLCKRAYTCOOTQJ-UHFFFAOYSA-N 1 0 252.314 2.456 20 5 CEBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273502630 192178606 /nfs/dbraw/zinc/17/86/06/192178606.db2.gz OFFXLFMGDGFORU-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889270 188110354 /nfs/dbraw/zinc/11/03/54/188110354.db2.gz GOQBRZOWIKUVHM-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO COC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271671680 191269735 /nfs/dbraw/zinc/26/97/35/191269735.db2.gz AYTNTUIGCYNEMN-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000157559410 188325027 /nfs/dbraw/zinc/32/50/27/188325027.db2.gz VIZVRTIZXJABKG-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295181357 199392130 /nfs/dbraw/zinc/39/21/30/199392130.db2.gz HNRIXNOLZQZBQE-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000161865757 188548091 /nfs/dbraw/zinc/54/80/91/188548091.db2.gz IBVMLGCLXKSCTI-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000295298295 199447352 /nfs/dbraw/zinc/44/73/52/199447352.db2.gz URNAKOUSCQOVRP-ZDUSSCGKSA-N 1 0 280.324 2.131 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000133235647 366207092 /nfs/dbraw/zinc/20/70/92/366207092.db2.gz ASJSVVXODFOCLU-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496540 366231038 /nfs/dbraw/zinc/23/10/38/366231038.db2.gz MIFSCERBTSJQHQ-GHMZBOCLSA-N 1 0 276.340 2.335 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000074772689 363388073 /nfs/dbraw/zinc/38/80/73/363388073.db2.gz XGEYSTPWKFFUNY-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795936 291079599 /nfs/dbraw/zinc/07/95/99/291079599.db2.gz RHNVHWUFJVZBMA-JQWIXIFHSA-N 1 0 293.323 2.004 20 5 CEBDRO C[C@H](O)CC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000075782598 363489450 /nfs/dbraw/zinc/48/94/50/363489450.db2.gz XNWUXSRIZYTALV-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076343757 363538625 /nfs/dbraw/zinc/53/86/25/363538625.db2.gz ZIZJIKILOANMIV-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134468778 366326558 /nfs/dbraw/zinc/32/65/58/366326558.db2.gz DCSOHVIWWOMXLE-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO CO[C@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338376156 366326861 /nfs/dbraw/zinc/32/68/61/366326861.db2.gz LMYOGQZCGQWYCL-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413641 215569084 /nfs/dbraw/zinc/56/90/84/215569084.db2.gz QQBAGCNSKJZDHD-KKUMJFAQSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000134822718 366362529 /nfs/dbraw/zinc/36/25/29/366362529.db2.gz JFJWSOKXRPQSGA-LLVKDONJSA-N 1 0 279.340 2.160 20 5 CEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000359626084 283235407 /nfs/dbraw/zinc/23/54/07/283235407.db2.gz VGTZQTIKHHHGAP-UHFFFAOYSA-N 1 0 296.371 2.117 20 5 CEBDRO CC[C@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294686058 199134464 /nfs/dbraw/zinc/13/44/64/199134464.db2.gz BMQLJDXYZRNKSS-STMXVASLSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414668005 236437135 /nfs/dbraw/zinc/43/71/35/236437135.db2.gz YJKGRBIAIAPRLK-BXKDBHETSA-N 1 0 292.339 2.023 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000294810255 199193623 /nfs/dbraw/zinc/19/36/23/199193623.db2.gz NTBODEMVPGKAPO-UHFFFAOYSA-N 1 0 252.314 2.045 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135230541 366413090 /nfs/dbraw/zinc/41/30/90/366413090.db2.gz FZILGJKBRXOMEW-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)o2)cc1 ZINC000294858114 199216374 /nfs/dbraw/zinc/21/63/74/199216374.db2.gz OBZPLQWRJFDROU-BJHJDKERSA-N 1 0 288.303 2.468 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000338782429 366520698 /nfs/dbraw/zinc/52/06/98/366520698.db2.gz CPJIYOBTLJWRLB-TXEJJXNPSA-N 1 0 263.341 2.432 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000130932597 283458107 /nfs/dbraw/zinc/45/81/07/283458107.db2.gz NAHAAZPNIGHDNY-JTQLQIEISA-N 1 0 297.742 2.202 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000149425114 366589725 /nfs/dbraw/zinc/58/97/25/366589725.db2.gz UHUHTHOEJMGTQH-VIFPVBQESA-N 1 0 284.747 2.445 20 5 CEBDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181401 363704322 /nfs/dbraw/zinc/70/43/22/363704322.db2.gz ZGQCPAVBEMFPRM-SMDDNHRTSA-N 1 0 291.351 2.255 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1c([N+](=O)[O-])ncn1C ZINC000339034919 366625278 /nfs/dbraw/zinc/62/52/78/366625278.db2.gz SZNISMRRTODEDX-LBPRGKRZSA-N 1 0 295.387 2.395 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949526 366677550 /nfs/dbraw/zinc/67/75/50/366677550.db2.gz QJJLLQBSMPCADG-ONGXEEELSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341938188 216159423 /nfs/dbraw/zinc/15/94/23/216159423.db2.gz TWODFABXCIXCNU-BETUJISGSA-N 1 0 292.383 2.395 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081522506 363725666 /nfs/dbraw/zinc/72/56/66/363725666.db2.gz PPLDTWHHNQRSBK-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427392 189254458 /nfs/dbraw/zinc/25/44/58/189254458.db2.gz NLIWOQSQKJZYPY-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000342251918 216278722 /nfs/dbraw/zinc/27/87/22/216278722.db2.gz RBJZSBDTWOXWSR-TZMCWYRMSA-N 1 0 278.352 2.483 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000301263307 200956113 /nfs/dbraw/zinc/95/61/13/200956113.db2.gz GXDUMQFUBAPUFL-LLVKDONJSA-N 1 0 284.747 2.395 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC1C[NH2+]C1 ZINC000579817412 366707513 /nfs/dbraw/zinc/70/75/13/366707513.db2.gz CTNXHSAFGDHHDO-UHFFFAOYSA-N 1 0 262.096 2.285 20 5 CEBDRO CC[C@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181866875 189309182 /nfs/dbraw/zinc/30/91/82/189309182.db2.gz ISZPEHHYIGGDEW-STQMWFEESA-N 1 0 296.367 2.312 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOC2)c(F)c1 ZINC000342327018 216312000 /nfs/dbraw/zinc/31/20/00/216312000.db2.gz URBDBYQQFHWPBX-JTQLQIEISA-N 1 0 254.261 2.003 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739392 363786209 /nfs/dbraw/zinc/78/62/09/363786209.db2.gz FOPGIMMVJZCOLC-MNOVXSKESA-N 1 0 250.298 2.424 20 5 CEBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301597332 201090722 /nfs/dbraw/zinc/09/07/22/201090722.db2.gz GSCUOVVVVQXVDD-UHFFFAOYSA-N 1 0 271.298 2.157 20 5 CEBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000016600088 361491965 /nfs/dbraw/zinc/49/19/65/361491965.db2.gz DUXXMFDTDLUUNA-UHFFFAOYSA-N 1 0 293.367 2.443 20 5 CEBDRO COCCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183685844 189366168 /nfs/dbraw/zinc/36/61/68/189366168.db2.gz RGNNXQFRZCBGJX-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342479025 216366520 /nfs/dbraw/zinc/36/65/20/216366520.db2.gz BDYGJPNIKBWHQL-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CC[NH+]1CCN([C@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000301939845 201270810 /nfs/dbraw/zinc/27/08/10/201270810.db2.gz UCNTZULKIVCWFD-LLVKDONJSA-N 1 0 298.412 2.094 20 5 CEBDRO C[N@H+](CCOCC1CC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000088599902 363911281 /nfs/dbraw/zinc/91/12/81/363911281.db2.gz BCGCASKRHHESNX-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181200 364045937 /nfs/dbraw/zinc/04/59/37/364045937.db2.gz DQDSOIRQQOLBBI-PWSUYJOCSA-N 1 0 289.335 2.009 20 5 CEBDRO CC(C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549761 364062133 /nfs/dbraw/zinc/06/21/33/364062133.db2.gz SHRVROAEVRUNNV-CQSZACIVSA-N 1 0 293.367 2.267 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090795238 364065945 /nfs/dbraw/zinc/06/59/45/364065945.db2.gz ALQGAHCTZYPHEN-PWSUYJOCSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093985991 364244559 /nfs/dbraw/zinc/24/45/59/364244559.db2.gz NJQPISBRTPWCJV-OLZOCXBDSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341341 364269237 /nfs/dbraw/zinc/26/92/37/364269237.db2.gz IGYJNUVUAAOLEV-CABZTGNLSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000094953778 364315116 /nfs/dbraw/zinc/31/51/16/364315116.db2.gz BNFAMUBPCJFTBY-LLVKDONJSA-N 1 0 282.340 2.102 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(C)C ZINC000102478837 364597627 /nfs/dbraw/zinc/59/76/27/364597627.db2.gz FECNRXGUNMLHGY-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CCOc1cc(NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000104250559 364687973 /nfs/dbraw/zinc/68/79/73/364687973.db2.gz MJTOETXENJUGQB-UHFFFAOYSA-N 1 0 253.302 2.144 20 5 CEBDRO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112353900 364798750 /nfs/dbraw/zinc/79/87/50/364798750.db2.gz ALWYVZKTTLHIBF-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380311 364802247 /nfs/dbraw/zinc/80/22/47/364802247.db2.gz XOQXKNYERAOXMJ-IAQYHMDHSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCOCC1 ZINC000275580641 193079114 /nfs/dbraw/zinc/07/91/14/193079114.db2.gz PTVURMZCLGFFEX-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120238931 365393702 /nfs/dbraw/zinc/39/37/02/365393702.db2.gz CNVJLJJPPYTOEK-SNVBAGLBSA-N 1 0 297.380 2.217 20 5 CEBDRO Cc1sc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000159619092 366933131 /nfs/dbraw/zinc/93/31/31/366933131.db2.gz UXBJRZSYNMBQGY-UHFFFAOYSA-N 1 0 297.380 2.356 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000160076545 366971531 /nfs/dbraw/zinc/97/15/31/366971531.db2.gz MOIRUHIRTWHDSC-ZDUSSCGKSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340680088 366982680 /nfs/dbraw/zinc/98/26/80/366982680.db2.gz HVBMOHWLRSZCHK-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO O=C(Nc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340682115 366984608 /nfs/dbraw/zinc/98/46/08/366984608.db2.gz RYSCOYJZEULXBL-UHFFFAOYSA-N 1 0 297.274 2.361 20 5 CEBDRO CC[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000582976047 366986005 /nfs/dbraw/zinc/98/60/05/366986005.db2.gz UHEWGFPPYXOYQZ-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO COCC[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000583544877 367062819 /nfs/dbraw/zinc/06/28/19/367062819.db2.gz KKDIBMPNBICTAQ-HNNXBMFYSA-N 1 0 294.351 2.188 20 5 CEBDRO CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611414535 367225467 /nfs/dbraw/zinc/22/54/67/367225467.db2.gz GBXUSTINBYWSKN-UWVGGRQHSA-N 1 0 287.410 2.138 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168605312 367356573 /nfs/dbraw/zinc/35/65/73/367356573.db2.gz XDTKJDKBAVFHOH-WDEREUQCSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@@H](C[NH+](C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168539866 367355654 /nfs/dbraw/zinc/35/56/54/367355654.db2.gz MNICIVRZTVWICB-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO C[C@@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168869691 367361071 /nfs/dbraw/zinc/36/10/71/367361071.db2.gz FERXEUSUXRZJTH-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343454091 367823671 /nfs/dbraw/zinc/82/36/71/367823671.db2.gz PCZRUEAJQVFGSO-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343479172 367838634 /nfs/dbraw/zinc/83/86/34/367838634.db2.gz QNCBZRRHCYKRIT-PWSUYJOCSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H]([NH2+]CCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000173395709 367906368 /nfs/dbraw/zinc/90/63/68/367906368.db2.gz PIMMKIQTNOAQQC-NSHDSACASA-N 1 0 284.381 2.361 20 5 CEBDRO C[C@@H](c1ccco1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835460 368071098 /nfs/dbraw/zinc/07/10/98/368071098.db2.gz XPQSXHBGZVWNQC-JTQLQIEISA-N 1 0 264.285 2.077 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000176202360 368212030 /nfs/dbraw/zinc/21/20/30/368212030.db2.gz UEGYVOPPXJBBCJ-CQSZACIVSA-N 1 0 286.335 2.411 20 5 CEBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000346156719 368565581 /nfs/dbraw/zinc/56/55/81/368565581.db2.gz BDCPMRVAFCDTLW-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc(COCc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000346619686 368737692 /nfs/dbraw/zinc/73/76/92/368737692.db2.gz NVJNFICAGGIFKH-UHFFFAOYSA-N 1 0 263.253 2.043 20 5 CEBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000346666216 368760647 /nfs/dbraw/zinc/76/06/47/368760647.db2.gz PWLZTKOTCLYBDG-BXKDBHETSA-N 1 0 296.298 2.117 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185368802 368798511 /nfs/dbraw/zinc/79/85/11/368798511.db2.gz GVULWJJTVGHBSR-CYBMUJFWSA-N 1 0 296.367 2.312 20 5 CEBDRO COc1cccc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000185737207 368852182 /nfs/dbraw/zinc/85/21/82/368852182.db2.gz DFJTYCIVCNFUOS-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000348713597 369130598 /nfs/dbraw/zinc/13/05/98/369130598.db2.gz WUFROWVEKHDYBL-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO CC[NH+](CC)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000188185112 369313869 /nfs/dbraw/zinc/31/38/69/369313869.db2.gz WGMHYERLXFWRQM-UHFFFAOYSA-N 1 0 254.334 2.140 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000330851339 203313200 /nfs/dbraw/zinc/31/32/00/203313200.db2.gz QCGXUCLYMFAHLY-LLVKDONJSA-N 1 0 264.329 2.116 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349847338 369421437 /nfs/dbraw/zinc/42/14/37/369421437.db2.gz FCVPMIARAWIOHI-SCOBNMCVSA-N 1 0 264.325 2.320 20 5 CEBDRO CC(C)OCC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896433 369443112 /nfs/dbraw/zinc/44/31/12/369443112.db2.gz QWTCYUWHDREADM-IUODEOHRSA-N 1 0 296.367 2.421 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000276134448 193222299 /nfs/dbraw/zinc/22/22/99/193222299.db2.gz AIUOKHHAZLUPFR-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000189350784 369502817 /nfs/dbraw/zinc/50/28/17/369502817.db2.gz CTGPPGLXAOKGBO-ABAIWWIYSA-N 1 0 294.351 2.460 20 5 CEBDRO CCOC(=O)c1cc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000343816104 216930052 /nfs/dbraw/zinc/93/00/52/216930052.db2.gz ZEYGSQLYENHSRS-SNVBAGLBSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730205 369651527 /nfs/dbraw/zinc/65/15/27/369651527.db2.gz MONOYKLWMXQGOK-VHSXEESVSA-N 1 0 299.321 2.397 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352404139 369714574 /nfs/dbraw/zinc/71/45/74/369714574.db2.gz CMOWKAWUVIXPPS-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO CN(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522043 193366364 /nfs/dbraw/zinc/36/63/64/193366364.db2.gz VJUINYMANZLHBX-ZFWWWQNUSA-N 1 0 291.395 2.457 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000192780538 369853487 /nfs/dbraw/zinc/85/34/87/369853487.db2.gz GODVPWKQIDNFNJ-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352812922 369889730 /nfs/dbraw/zinc/88/97/30/369889730.db2.gz ARTMKBDBRVSLOY-MWLCHTKSSA-N 1 0 282.365 2.445 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000193104842 369893091 /nfs/dbraw/zinc/89/30/91/369893091.db2.gz WQSNWMLYRJWYGD-SECBINFHSA-N 1 0 258.343 2.153 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@@H]1C ZINC000352987256 369971129 /nfs/dbraw/zinc/97/11/29/369971129.db2.gz LESSTJVVPYSNSB-NWDGAFQWSA-N 1 0 278.356 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCCO ZINC000193284124 369917062 /nfs/dbraw/zinc/91/70/62/369917062.db2.gz NGLIIBKSRKRFCL-UHFFFAOYSA-N 1 0 258.705 2.110 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023142 369986318 /nfs/dbraw/zinc/98/63/18/369986318.db2.gz GXDVIDJUVPTOJS-CHWSQXEVSA-N 1 0 294.351 2.065 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000195222074 370115877 /nfs/dbraw/zinc/11/58/77/370115877.db2.gz AXNQFXBXPDNYBX-GFCCVEGCSA-N 1 0 250.298 2.063 20 5 CEBDRO CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354079860 370208876 /nfs/dbraw/zinc/20/88/76/370208876.db2.gz MHHYHXYFDGBYMG-GFCCVEGCSA-N 1 0 261.325 2.268 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223071414 370259977 /nfs/dbraw/zinc/25/99/77/370259977.db2.gz DLKSLNADTLEGGV-CMPLNLGQSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1c(CN2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197644 370363444 /nfs/dbraw/zinc/36/34/44/370363444.db2.gz NLKMYQRMCPCUBS-XHDPSFHLSA-N 1 0 277.368 2.462 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230222322 370447026 /nfs/dbraw/zinc/44/70/26/370447026.db2.gz VHROTDBAKFMBFX-LLVKDONJSA-N 1 0 258.343 2.297 20 5 CEBDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000231030320 370474050 /nfs/dbraw/zinc/47/40/50/370474050.db2.gz NQUADENCJIVBHF-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)[C@H]([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232720242 370510340 /nfs/dbraw/zinc/51/03/40/370510340.db2.gz BHZJHRUIZCUKMJ-SSDOTTSWSA-N 1 0 292.261 2.404 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550071 370596158 /nfs/dbraw/zinc/59/61/58/370596158.db2.gz FQXKWKLJUYTCAE-MNOVXSKESA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246796282 371012538 /nfs/dbraw/zinc/01/25/38/371012538.db2.gz CWSMXOBMZDXFFD-GXSJLCMTSA-N 1 0 297.380 2.115 20 5 CEBDRO CC[C@@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358343721 371024193 /nfs/dbraw/zinc/02/41/93/371024193.db2.gz UAEXNWOMJHLTLF-CQSZACIVSA-N 1 0 263.341 2.341 20 5 CEBDRO COc1cccc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000358654265 371157991 /nfs/dbraw/zinc/15/79/91/371157991.db2.gz SRQNRYJFBOADHD-MNOVXSKESA-N 1 0 279.340 2.498 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000249056621 371287674 /nfs/dbraw/zinc/28/76/74/371287674.db2.gz IYPXUUXOZSYKCB-DGCLKSJQSA-N 1 0 292.335 2.226 20 5 CEBDRO CC(C)(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000236669608 189838012 /nfs/dbraw/zinc/83/80/12/189838012.db2.gz NRXKIGQFKMFRAI-ZYHUDNBSSA-N 1 0 291.351 2.074 20 5 CEBDRO C[NH2+]C(C)(C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093809 371334307 /nfs/dbraw/zinc/33/43/07/371334307.db2.gz HSWVDQVIEPINIS-UHFFFAOYSA-N 1 0 252.318 2.017 20 5 CEBDRO CO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251923822 371424559 /nfs/dbraw/zinc/42/45/59/371424559.db2.gz SOLHSNLHMUHQKE-IUODEOHRSA-N 1 0 294.351 2.330 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000252728500 371474060 /nfs/dbraw/zinc/47/40/60/371474060.db2.gz BQBKKATWVPFLLW-ADWYPQAOSA-N 1 0 284.381 2.403 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261596259 371669554 /nfs/dbraw/zinc/66/95/54/371669554.db2.gz HGSCAEJUXSCNMR-LLVKDONJSA-N 1 0 280.328 2.090 20 5 CEBDRO CCc1cnccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000361135120 371671057 /nfs/dbraw/zinc/67/10/57/371671057.db2.gz KLOGLBXWTLPARX-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO CC1(C)[C@H](O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361080788 371641228 /nfs/dbraw/zinc/64/12/28/371641228.db2.gz MBYWSRNMNGSCCY-HZRUHFOJSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000361259053 371744018 /nfs/dbraw/zinc/74/40/18/371744018.db2.gz AKDIJQVAOATFQD-YUMQZZPRSA-N 1 0 294.336 2.371 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000268486163 372115804 /nfs/dbraw/zinc/11/58/04/372115804.db2.gz MKWJZNPEKBEMDY-YPMHNXCESA-N 1 0 292.383 2.465 20 5 CEBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000268146654 372088694 /nfs/dbraw/zinc/08/86/94/372088694.db2.gz JKTXYUKMADSYDR-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802132 372228571 /nfs/dbraw/zinc/22/85/71/372228571.db2.gz BIPHFWYWUMDDBN-MWLCHTKSSA-N 1 0 252.314 2.182 20 5 CEBDRO CC[C@H]([NH2+]CCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268804717 372229912 /nfs/dbraw/zinc/22/99/12/372229912.db2.gz HCIHDXWRBRMFEN-ZDUSSCGKSA-N 1 0 279.340 2.162 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000269232521 372390249 /nfs/dbraw/zinc/39/02/49/372390249.db2.gz VYYXAMBYKXBXIL-LDYMZIIASA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)C[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269241855 372395391 /nfs/dbraw/zinc/39/53/91/372395391.db2.gz NSEBFENRTMKYEY-LBPRGKRZSA-N 1 0 299.758 2.238 20 5 CEBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269619409 372507880 /nfs/dbraw/zinc/50/78/80/372507880.db2.gz ADNVTYDEJGOQLH-CYBMUJFWSA-N 1 0 296.392 2.456 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1O ZINC000344409283 217184131 /nfs/dbraw/zinc/18/41/31/217184131.db2.gz LTXPAEYFMUAIFS-JTQLQIEISA-N 1 0 280.324 2.445 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270085203 372659507 /nfs/dbraw/zinc/65/95/07/372659507.db2.gz JPIBZGMVEDQPLM-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000270099033 372664075 /nfs/dbraw/zinc/66/40/75/372664075.db2.gz LBWFPRDFFGBLLK-TZMCWYRMSA-N 1 0 294.351 2.066 20 5 CEBDRO CCc1nocc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000353493917 220114289 /nfs/dbraw/zinc/11/42/89/220114289.db2.gz APCUEFRTIFETCM-UHFFFAOYSA-N 1 0 290.323 2.111 20 5 CEBDRO CC[C@@H](CO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344755651 217299260 /nfs/dbraw/zinc/29/92/60/217299260.db2.gz DEUSDAQUJLDEJP-YLBKJLTLSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000271161380 373154073 /nfs/dbraw/zinc/15/40/73/373154073.db2.gz ANOFDEDLTVIHRA-VMPITWQZSA-N 1 0 264.325 2.312 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000370057405 373569270 /nfs/dbraw/zinc/56/92/70/373569270.db2.gz WXZPEKANZUEGFU-LBPRGKRZSA-N 1 0 278.356 2.483 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000370057404 373569366 /nfs/dbraw/zinc/56/93/66/373569366.db2.gz WXZPEKANZUEGFU-GFCCVEGCSA-N 1 0 278.356 2.483 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268942064 220226226 /nfs/dbraw/zinc/22/62/26/220226226.db2.gz PRVZUWOTFRDIRO-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000294881928 220237811 /nfs/dbraw/zinc/23/78/11/220237811.db2.gz QDRWSSHHZDUHJY-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000371730841 373961487 /nfs/dbraw/zinc/96/14/87/373961487.db2.gz AIDOYFWGHYNAAN-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000277966566 374695475 /nfs/dbraw/zinc/69/54/75/374695475.db2.gz SJSGRZMPSLMHLL-RNCFNFMXSA-N 1 0 268.288 2.249 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204595 374750992 /nfs/dbraw/zinc/75/09/92/374750992.db2.gz HCBDDVLGJPMZFY-YGRLFVJLSA-N 1 0 291.351 2.086 20 5 CEBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000376789793 374733860 /nfs/dbraw/zinc/73/38/60/374733860.db2.gz MKUPUXTYHWGQRM-UHFFFAOYSA-N 1 0 297.314 2.030 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000279858504 375013331 /nfs/dbraw/zinc/01/33/31/375013331.db2.gz IUCICAVCLQBNEW-UHFFFAOYSA-N 1 0 280.324 2.274 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000379492320 375152989 /nfs/dbraw/zinc/15/29/89/375152989.db2.gz IVURIFRIBQVBFC-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO Cn1cc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282328517 375457371 /nfs/dbraw/zinc/45/73/71/375457371.db2.gz ASWAGBNLZNOQTE-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000414610005 375875099 /nfs/dbraw/zinc/87/50/99/375875099.db2.gz ALRLZSZNTXDDNT-SSDOTTSWSA-N 1 0 265.273 2.019 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000414666499 375908021 /nfs/dbraw/zinc/90/80/21/375908021.db2.gz WSZYSYKCFCBFGN-CYBMUJFWSA-N 1 0 292.339 2.104 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765284 375957067 /nfs/dbraw/zinc/95/70/67/375957067.db2.gz BMIYKBBUKSFYJD-XQRVVYSFSA-N 1 0 261.325 2.030 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414770163 375958972 /nfs/dbraw/zinc/95/89/72/375958972.db2.gz OLAWTUIBADFEQW-AWEZNQCLSA-N 1 0 281.331 2.037 20 5 CEBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000286853156 376085006 /nfs/dbraw/zinc/08/50/06/376085006.db2.gz BJELMAVVPWGCEN-VIFPVBQESA-N 1 0 291.307 2.021 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000263702143 190074042 /nfs/dbraw/zinc/07/40/42/190074042.db2.gz IRPFAQSDSGJSBS-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000305744349 376469605 /nfs/dbraw/zinc/46/96/05/376469605.db2.gz UNXSJHBZXZBHDB-IINYFYTJSA-N 1 0 282.315 2.327 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305844988 376517821 /nfs/dbraw/zinc/51/78/21/376517821.db2.gz SGJAOCUDUMZAHQ-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289756103 376483271 /nfs/dbraw/zinc/48/32/71/376483271.db2.gz IPSPPBXWVCPALG-MNOVXSKESA-N 1 0 252.314 2.416 20 5 CEBDRO Cc1nc(N[C@H](C[NH3+])C2CCCCC2)ncc1[N+](=O)[O-] ZINC000420179194 376593519 /nfs/dbraw/zinc/59/35/19/376593519.db2.gz BQTPFAXSJNLITN-LLVKDONJSA-N 1 0 279.344 2.013 20 5 CEBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420243415 376652962 /nfs/dbraw/zinc/65/29/62/376652962.db2.gz XOGLCRJMTGMKID-UHFFFAOYSA-N 1 0 275.255 2.347 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000312908329 376733160 /nfs/dbraw/zinc/73/31/60/376733160.db2.gz ZXOMTPHFTOIQPZ-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000264479333 190113063 /nfs/dbraw/zinc/11/30/63/190113063.db2.gz ZNDRCLFTWARLEE-BXUZGUMPSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+](C)C1CC1 ZINC000290427241 376773775 /nfs/dbraw/zinc/77/37/75/376773775.db2.gz LBXRLWBLNZXSPH-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420998742 376771673 /nfs/dbraw/zinc/77/16/73/376771673.db2.gz IPFCFFUEOSCELR-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1c(C[NH2+]Cc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000318447599 376813826 /nfs/dbraw/zinc/81/38/26/376813826.db2.gz BDNXZSLTCDHFAA-UHFFFAOYSA-N 1 0 299.330 2.292 20 5 CEBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000561491776 376814107 /nfs/dbraw/zinc/81/41/07/376814107.db2.gz FEXJAJOMURPEQQ-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019219 376936779 /nfs/dbraw/zinc/93/67/79/376936779.db2.gz UTCWBKZOZLFFBF-FRRDWIJNSA-N 1 0 293.367 2.012 20 5 CEBDRO C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290845106 376952097 /nfs/dbraw/zinc/95/20/97/376952097.db2.gz JFFOVYJJZITHJP-ZCFIWIBFSA-N 1 0 279.123 2.372 20 5 CEBDRO C[C@@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264689060 190128880 /nfs/dbraw/zinc/12/88/80/190128880.db2.gz DBYCEMZPDKTJJH-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423187555 377099604 /nfs/dbraw/zinc/09/96/04/377099604.db2.gz KVZMYBCTCXYVNT-LSDHHAIUSA-N 1 0 289.379 2.258 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256140 377177295 /nfs/dbraw/zinc/17/72/95/377177295.db2.gz BHVJBDUGEIQBOO-RYUDHWBXSA-N 1 0 295.383 2.500 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000563421688 377219000 /nfs/dbraw/zinc/21/90/00/377219000.db2.gz PWSWGWOGUNYWHE-MNOVXSKESA-N 1 0 279.340 2.498 20 5 CEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000330972106 377220290 /nfs/dbraw/zinc/22/02/90/377220290.db2.gz NCUVMJCQMFWVPJ-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000563490445 377234203 /nfs/dbraw/zinc/23/42/03/377234203.db2.gz NKRVBYYBDRJAOO-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC1CCCCC1 ZINC000331071965 377268372 /nfs/dbraw/zinc/26/83/72/377268372.db2.gz UEUXGLWCKKWNBX-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO Cc1c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425537593 377369296 /nfs/dbraw/zinc/36/92/96/377369296.db2.gz XCVOOUNFGWYYCE-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000293196582 377467664 /nfs/dbraw/zinc/46/76/64/377467664.db2.gz XLFXHURWDLCDRU-AWEZNQCLSA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[NH2+]CC1 ZINC000332269504 377555025 /nfs/dbraw/zinc/55/50/25/377555025.db2.gz GJJSBGFMTROXTP-UHFFFAOYSA-N 1 0 292.339 2.039 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265450048 190183475 /nfs/dbraw/zinc/18/34/75/190183475.db2.gz AQXKOFHSDIRAOT-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265480164 190185275 /nfs/dbraw/zinc/18/52/75/190185275.db2.gz HBRYRPWZIRVDAL-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000313268205 249391750 /nfs/dbraw/zinc/39/17/50/249391750.db2.gz VMLTXNJZHUVUDF-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313425760 249393759 /nfs/dbraw/zinc/39/37/59/249393759.db2.gz FQENLWKNTZGFCV-YXVBKTCISA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565251383 377626100 /nfs/dbraw/zinc/62/61/00/377626100.db2.gz QVRVVZGSJOYEQW-NSHDSACASA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000313123532 249385494 /nfs/dbraw/zinc/38/54/94/249385494.db2.gz WIRZTCLUJCGJCO-QWHCGFSZSA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1nocc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000293692881 377705163 /nfs/dbraw/zinc/70/51/63/377705163.db2.gz WMLVLLOZONTRDF-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293704110 377711128 /nfs/dbraw/zinc/71/11/28/377711128.db2.gz LMDZQUDXPXCYSC-ZJUUUORDSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000293753916 377741036 /nfs/dbraw/zinc/74/10/36/377741036.db2.gz QOKNOUWWYPCMIM-NSHDSACASA-N 1 0 289.339 2.007 20 5 CEBDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293867890 377796417 /nfs/dbraw/zinc/79/64/17/377796417.db2.gz UUWGZTZDCGLPFN-JTQLQIEISA-N 1 0 279.340 2.254 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000439118609 377919006 /nfs/dbraw/zinc/91/90/06/377919006.db2.gz LJANQGVLADISDE-ZDUSSCGKSA-N 1 0 281.356 2.100 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000294664332 378005298 /nfs/dbraw/zinc/00/52/98/378005298.db2.gz HLGMVIRFQDNDGH-CYBMUJFWSA-N 1 0 264.325 2.294 20 5 CEBDRO COCC[C@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000447087550 378090916 /nfs/dbraw/zinc/09/09/16/378090916.db2.gz PAGUNUIFVDOHCA-HNNXBMFYSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000449321461 378200971 /nfs/dbraw/zinc/20/09/71/378200971.db2.gz SQLTWUHPAUSHGF-NEPJUHHUSA-N 1 0 265.357 2.066 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000295693201 378266684 /nfs/dbraw/zinc/26/66/84/378266684.db2.gz LWZXYGOBXKSYPR-MDZLAQPJSA-N 1 0 264.325 2.293 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000295913039 378352666 /nfs/dbraw/zinc/35/26/66/378352666.db2.gz JIEBKJBBFXCHCU-ZMLRMANQSA-N 1 0 250.298 2.077 20 5 CEBDRO COC[C@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776062 378645843 /nfs/dbraw/zinc/64/58/43/378645843.db2.gz PYHSUSMDIWRUOE-OAHLLOKOSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347035382 218101394 /nfs/dbraw/zinc/10/13/94/218101394.db2.gz GOLUCJGHBCRMBE-RISCZKNCSA-N 1 0 263.341 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCCCC1 ZINC000299558607 379044212 /nfs/dbraw/zinc/04/42/12/379044212.db2.gz ABKWGSXEDAZEHQ-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CO)C1 ZINC000347360883 218204521 /nfs/dbraw/zinc/20/45/21/218204521.db2.gz PATAYSNHRQORIM-VDBIKXPHSA-N 1 0 276.336 2.312 20 5 CEBDRO CCOC1CC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000347455800 218240805 /nfs/dbraw/zinc/24/08/05/218240805.db2.gz SHYMXEDSCIROLF-UHFFFAOYSA-N 1 0 294.351 2.473 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000515187009 379190960 /nfs/dbraw/zinc/19/09/60/379190960.db2.gz GIOLYVYZNVHRKS-OLZOCXBDSA-N 1 0 298.346 2.474 20 5 CEBDRO Cc1nc(CNCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000515434979 379218660 /nfs/dbraw/zinc/21/86/60/379218660.db2.gz SAPXRTNRVZFXOK-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952362 379326916 /nfs/dbraw/zinc/32/69/16/379326916.db2.gz SYQHJGKWXCTYQI-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO COc1ccc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000305269915 379701039 /nfs/dbraw/zinc/70/10/39/379701039.db2.gz XMBRIUYDOMAIEC-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO COC[C@@H](C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000527366566 379753836 /nfs/dbraw/zinc/75/38/36/379753836.db2.gz XBKKMIHUXOYRMP-NSHDSACASA-N 1 0 264.325 2.235 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863475 380365046 /nfs/dbraw/zinc/36/50/46/380365046.db2.gz CKMHQEVYCXYVGL-KRZKBDHCSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000547363438 380434675 /nfs/dbraw/zinc/43/46/75/380434675.db2.gz QEMRXQWBFOPDQS-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO CCc1nncn1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000547386646 380435715 /nfs/dbraw/zinc/43/57/15/380435715.db2.gz FTTQZILVFZZACL-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO CC(C)([NH2+]C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000492332829 380521343 /nfs/dbraw/zinc/52/13/43/380521343.db2.gz IHMQDLCTDGDYAU-LLVKDONJSA-N 1 0 264.325 2.456 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000374037661 220294291 /nfs/dbraw/zinc/29/42/91/220294291.db2.gz LSFQGRLFBONTKK-ZDUSSCGKSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[NH2+]3)cnc2c1 ZINC000095091985 184940712 /nfs/dbraw/zinc/94/07/12/184940712.db2.gz SCJPTAOKLSNNHR-JTQLQIEISA-N 1 0 287.323 2.092 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCO ZINC000281618560 195311106 /nfs/dbraw/zinc/31/11/06/195311106.db2.gz HJDNUCCWQWSUHP-NSHDSACASA-N 1 0 252.314 2.278 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000356837067 533399338 /nfs/dbraw/zinc/39/93/38/533399338.db2.gz CXSBWESVBCGQTK-CHWSQXEVSA-N 1 0 294.351 2.378 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000190974651 130168106 /nfs/dbraw/zinc/16/81/06/130168106.db2.gz IDXLTUYVCZZYAB-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261602327 131155743 /nfs/dbraw/zinc/15/57/43/131155743.db2.gz BZCZTXVVBLAYCQ-GLXFQSAKSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000263941400 131365893 /nfs/dbraw/zinc/36/58/93/131365893.db2.gz ZWDUPZBUIWAWPU-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070176052 394585900 /nfs/dbraw/zinc/58/59/00/394585900.db2.gz NTHIRNNCTBNSFV-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000308612310 394529001 /nfs/dbraw/zinc/52/90/01/394529001.db2.gz FDGIDGJDZXXIBQ-UHFFFAOYSA-N 1 0 257.359 2.086 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)C[NH+]1CCCC1 ZINC000308668902 394530744 /nfs/dbraw/zinc/53/07/44/394530744.db2.gz UNYHRYBMRWDSIR-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO Cc1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413450558 394555186 /nfs/dbraw/zinc/55/51/86/394555186.db2.gz YMBPUEPGQMNVRB-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000421874991 394624019 /nfs/dbraw/zinc/62/40/19/394624019.db2.gz JKNYLKMGGVEFAV-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331101069 394627726 /nfs/dbraw/zinc/62/77/26/394627726.db2.gz DDEKEQPQZKGUMG-VWYCJHECSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000265433608 394648172 /nfs/dbraw/zinc/64/81/72/394648172.db2.gz JACXXXYEOCADAM-CQSZACIVSA-N 1 0 293.367 2.331 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000357041635 394690032 /nfs/dbraw/zinc/69/00/32/394690032.db2.gz PEUFHTWYQWPOGE-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414174130 394722076 /nfs/dbraw/zinc/72/20/76/394722076.db2.gz ACSVQZHPQDTGHL-ZNMIVQPWSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000272765862 394777326 /nfs/dbraw/zinc/77/73/26/394777326.db2.gz DGANFCNWMAPAFE-NSHDSACASA-N 1 0 252.314 2.452 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931561 394808700 /nfs/dbraw/zinc/80/87/00/394808700.db2.gz USKPHKPVSIJILM-QWRGUYRKSA-N 1 0 267.304 2.093 20 5 CEBDRO COc1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946832 394869164 /nfs/dbraw/zinc/86/91/64/394869164.db2.gz PJGJKVFGAAOSOH-QWHCGFSZSA-N 1 0 293.367 2.353 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000415066567 394871712 /nfs/dbraw/zinc/87/17/12/394871712.db2.gz JKVBIXQLBJPVCI-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C[C@H]1C ZINC000414968986 394830820 /nfs/dbraw/zinc/83/08/20/394830820.db2.gz YWLMCUMVTVACDN-RISCZKNCSA-N 1 0 293.367 2.081 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415013113 394849801 /nfs/dbraw/zinc/84/98/01/394849801.db2.gz KCADZWQGIPLYAO-YUMQZZPRSA-N 1 0 257.721 2.074 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)s1 ZINC000281979154 394889746 /nfs/dbraw/zinc/88/97/46/394889746.db2.gz SBMOFWZYHVXOOC-UHFFFAOYSA-N 1 0 282.369 2.338 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361772 394901337 /nfs/dbraw/zinc/90/13/37/394901337.db2.gz MOHAEIDKOZVIFR-UHIISALHSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415416936 394929836 /nfs/dbraw/zinc/92/98/36/394929836.db2.gz LRPXNBLZHYUDIL-LLVKDONJSA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1cc(NC(=O)NC2(C[NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000415417470 394929989 /nfs/dbraw/zinc/92/99/89/394929989.db2.gz MMJKXYYXZZAZJG-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415425888 394930984 /nfs/dbraw/zinc/93/09/84/394930984.db2.gz DFJNYYWXECHRGG-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415491100 394937419 /nfs/dbraw/zinc/93/74/19/394937419.db2.gz YXPSVBDSWBEPHU-ZJUUUORDSA-N 1 0 280.328 2.069 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415499194 394938136 /nfs/dbraw/zinc/93/81/36/394938136.db2.gz JUBCJIUACOVXKZ-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374860 394956636 /nfs/dbraw/zinc/95/66/36/394956636.db2.gz WDVSLCXLQJTLCU-MNOVXSKESA-N 1 0 289.339 2.113 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627283 394949264 /nfs/dbraw/zinc/94/92/64/394949264.db2.gz BAHYSCHFUXHQTJ-JTQLQIEISA-N 1 0 298.318 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153616708 395012381 /nfs/dbraw/zinc/01/23/81/395012381.db2.gz VFBLOKXDZXSQOI-HNNXBMFYSA-N 1 0 292.335 2.086 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423739935 394973173 /nfs/dbraw/zinc/97/31/73/394973173.db2.gz IRLVJCLIVQDNQZ-NEPJUHHUSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000416306517 395051071 /nfs/dbraw/zinc/05/10/71/395051071.db2.gz GIJXOPKULNXXFY-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425288777 395056370 /nfs/dbraw/zinc/05/63/70/395056370.db2.gz UTIHOVMFSFQEID-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000289810828 395087989 /nfs/dbraw/zinc/08/79/89/395087989.db2.gz ZRTLSVJUIPLABO-GHMZBOCLSA-N 1 0 277.324 2.230 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)C(C)C ZINC000427383888 395108514 /nfs/dbraw/zinc/10/85/14/395108514.db2.gz UPYMEUJWELKVGB-UHFFFAOYSA-N 1 0 281.356 2.493 20 5 CEBDRO CC(=O)c1cc(NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000419006873 395245851 /nfs/dbraw/zinc/24/58/51/395245851.db2.gz ITGMPEUQAODTEJ-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CN(Cc1cncnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179314814 395190951 /nfs/dbraw/zinc/19/09/51/395190951.db2.gz BBUBLTRVBKBRBU-UHFFFAOYSA-N 1 0 258.281 2.017 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000433074100 395196239 /nfs/dbraw/zinc/19/62/39/395196239.db2.gz UZVNODUWAMTCIV-RWMBFGLXSA-N 1 0 296.371 2.026 20 5 CEBDRO CC[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000181131400 395210820 /nfs/dbraw/zinc/21/08/20/395210820.db2.gz SUNQKYVATNDBMG-QWRGUYRKSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000294916002 395282051 /nfs/dbraw/zinc/28/20/51/395282051.db2.gz BERLPXKWVSHYRI-NRUUGDAUSA-N 1 0 250.298 2.250 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000408172156 395292820 /nfs/dbraw/zinc/29/28/20/395292820.db2.gz SJYYCRSIZQEYSQ-STQMWFEESA-N 1 0 290.367 2.280 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408172669 395293326 /nfs/dbraw/zinc/29/33/26/395293326.db2.gz ZCDPSGSYAVUSRD-STQMWFEESA-N 1 0 290.367 2.137 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866953 395396024 /nfs/dbraw/zinc/39/60/24/395396024.db2.gz SZENQXQVTKEJJC-IINYFYTJSA-N 1 0 264.325 2.333 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000420349081 395339856 /nfs/dbraw/zinc/33/98/56/395339856.db2.gz BSDGRVUZRIQNIL-FZMZJTMJSA-N 1 0 293.367 2.304 20 5 CEBDRO Cc1ccc(C[N@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000191158368 395351599 /nfs/dbraw/zinc/35/15/99/395351599.db2.gz ZVCFPNVODVUSEQ-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000355363963 395422947 /nfs/dbraw/zinc/42/29/47/395422947.db2.gz DGNCEVJPYMNJHH-GQCTYLIASA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(O)CCC1 ZINC000355365789 395423331 /nfs/dbraw/zinc/42/33/31/395423331.db2.gz KUNAQXGGIJSUSW-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO CC1(C)CCCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000446075067 395483172 /nfs/dbraw/zinc/48/31/72/395483172.db2.gz VQAIWDRTOUUALK-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000566008684 395495205 /nfs/dbraw/zinc/49/52/05/395495205.db2.gz ZLYWSKCQNSZOFY-UHFFFAOYSA-N 1 0 293.367 2.448 20 5 CEBDRO COCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107578 395549344 /nfs/dbraw/zinc/54/93/44/395549344.db2.gz REJJONADXCMTJR-LBPRGKRZSA-N 1 0 250.298 2.208 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436941 395618365 /nfs/dbraw/zinc/61/83/65/395618365.db2.gz KZLPSCHHVJYEBG-TVQRCGJNSA-N 1 0 286.278 2.358 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574551564 395632408 /nfs/dbraw/zinc/63/24/08/395632408.db2.gz YJKSKYKJEUVBPS-CYBMUJFWSA-N 1 0 296.758 2.223 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063192849 400242001 /nfs/dbraw/zinc/24/20/01/400242001.db2.gz RQKSCAXESKQHCN-RISCZKNCSA-N 1 0 291.351 2.245 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1C ZINC000221027995 153306515 /nfs/dbraw/zinc/30/65/15/153306515.db2.gz YLFQTNFGERDVKJ-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468812 153323445 /nfs/dbraw/zinc/32/34/45/153323445.db2.gz ATYJMTWGPCOYNE-MNOVXSKESA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000182628731 292295834 /nfs/dbraw/zinc/29/58/34/292295834.db2.gz ASXWZTGFVQMJKQ-NSHDSACASA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695190 154291236 /nfs/dbraw/zinc/29/12/36/154291236.db2.gz YUFZNHNVLQDLKM-AAEUAGOBSA-N 1 0 263.341 2.072 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361044264 155438802 /nfs/dbraw/zinc/43/88/02/155438802.db2.gz RPCHFUGXGWXLBM-RAUBUVQISA-N 1 0 264.325 2.357 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CCC3)CC2)c1 ZINC000367583971 156210013 /nfs/dbraw/zinc/21/00/13/156210013.db2.gz GSVUIDAEFGPHKT-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368297986 156320239 /nfs/dbraw/zinc/32/02/39/156320239.db2.gz AZHDOCWRLQPRSC-WDNDVIMCSA-N 1 0 299.330 2.126 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000376020463 157177854 /nfs/dbraw/zinc/17/78/54/157177854.db2.gz GIGYOQIMMDSUIK-GFCCVEGCSA-N 1 0 262.309 2.063 20 5 CEBDRO COCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000539523194 298249688 /nfs/dbraw/zinc/24/96/88/298249688.db2.gz ZMWQBYBZJMIHEW-GQCTYLIASA-N 1 0 262.309 2.377 20 5 CEBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174874717 165120465 /nfs/dbraw/zinc/12/04/65/165120465.db2.gz YCDJIWOGKBKVAZ-GFCCVEGCSA-N 1 0 286.335 2.238 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332687714 287101671 /nfs/dbraw/zinc/10/16/71/287101671.db2.gz UTKXYUVCYKQJRR-NXEZZACHSA-N 1 0 252.318 2.091 20 5 CEBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155797 195992804 /nfs/dbraw/zinc/99/28/04/195992804.db2.gz PNMGVXQLTZRINB-ZJUUUORDSA-N 1 0 267.329 2.110 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CC1 ZINC000035142407 172008742 /nfs/dbraw/zinc/00/87/42/172008742.db2.gz NZIGZGFVLKTJRZ-SECBINFHSA-N 1 0 250.298 2.492 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285553376 196324705 /nfs/dbraw/zinc/32/47/05/196324705.db2.gz QZYAYAOFIIYUPS-RYUDHWBXSA-N 1 0 264.325 2.357 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCC2)cs1 ZINC000285669338 196360806 /nfs/dbraw/zinc/36/08/06/196360806.db2.gz ZQCJCXLTEJBINQ-UHFFFAOYSA-N 1 0 270.354 2.441 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285978407 196459297 /nfs/dbraw/zinc/45/92/97/196459297.db2.gz HPHUQWBJUKJFEQ-JOAULVNJSA-N 1 0 297.380 2.081 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1CC[NH2+]CC1 ZINC000038075409 174085767 /nfs/dbraw/zinc/08/57/67/174085767.db2.gz LGTRQFODLUQPCJ-UHFFFAOYSA-N 1 0 277.324 2.231 20 5 CEBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502794 174298768 /nfs/dbraw/zinc/29/87/68/174298768.db2.gz FTWQFLCVEBOGAW-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672577 174370890 /nfs/dbraw/zinc/37/08/90/174370890.db2.gz JVUCEDRWVJHFQB-AAEUAGOBSA-N 1 0 263.341 2.340 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000041925776 174626797 /nfs/dbraw/zinc/62/67/97/174626797.db2.gz CQBYYRIIUMSORA-VIFPVBQESA-N 1 0 299.396 2.425 20 5 CEBDRO Cc1ccnc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000070496365 175957366 /nfs/dbraw/zinc/95/73/66/175957366.db2.gz BJJMVDLDXSRDFH-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078658267 177367377 /nfs/dbraw/zinc/36/73/77/177367377.db2.gz JREZFAQAGGJJJF-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746914 299020771 /nfs/dbraw/zinc/02/07/71/299020771.db2.gz BSEULLNOKGAGME-JSGCOSHPSA-N 1 0 264.325 2.189 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000414821492 533682164 /nfs/dbraw/zinc/68/21/64/533682164.db2.gz CGOKBFSJRLNAJS-JSGCOSHPSA-N 1 0 277.368 2.258 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069625 261147602 /nfs/dbraw/zinc/14/76/02/261147602.db2.gz HWMHWNURZJKGTP-FZMZJTMJSA-N 1 0 266.341 2.276 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453610737 263281371 /nfs/dbraw/zinc/28/13/71/263281371.db2.gz YLMMXVZXOLFOKB-UHFFFAOYSA-N 1 0 279.340 2.052 20 5 CEBDRO C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000397800497 270355206 /nfs/dbraw/zinc/35/52/06/270355206.db2.gz LGZMWMVDEMLMAG-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645448 270360077 /nfs/dbraw/zinc/36/00/77/270360077.db2.gz ZGNCQBKINFEHTK-WCQYABFASA-N 1 0 264.325 2.045 20 5 CEBDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000399587666 270370838 /nfs/dbraw/zinc/37/08/38/270370838.db2.gz PMXCKXPIVBLUFI-SMDDNHRTSA-N 1 0 293.367 2.173 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000420365555 270528547 /nfs/dbraw/zinc/52/85/47/270528547.db2.gz LHESKYBVGRRSMO-ISTVAULSSA-N 1 0 281.331 2.210 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426212977 271204811 /nfs/dbraw/zinc/20/48/11/271204811.db2.gz ACZFSFWULWCHAH-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193141 271362356 /nfs/dbraw/zinc/36/23/56/271362356.db2.gz FKMHPDMQZWICND-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000430207695 271363192 /nfs/dbraw/zinc/36/31/92/271363192.db2.gz RIYPLCKAAXHACC-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430284808 271371426 /nfs/dbraw/zinc/37/14/26/271371426.db2.gz NUTQPJMHMUHYFX-SNVBAGLBSA-N 1 0 289.335 2.092 20 5 CEBDRO COCC[N@@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269928506 274026651 /nfs/dbraw/zinc/02/66/51/274026651.db2.gz MRCLAGWBQVBNLK-UHFFFAOYSA-N 1 0 293.367 2.062 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235119253 274212566 /nfs/dbraw/zinc/21/25/66/274212566.db2.gz ADXYQUOMGRVKKF-ZETCQYMHSA-N 1 0 292.261 2.371 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271674278 274335552 /nfs/dbraw/zinc/33/55/52/274335552.db2.gz XSUZSUGIIZOCIK-BXUZGUMPSA-N 1 0 263.341 2.371 20 5 CEBDRO CCC[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116440 276022115 /nfs/dbraw/zinc/02/21/15/276022115.db2.gz OSLXPPZBWNIDNR-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO CCC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330855374 276288685 /nfs/dbraw/zinc/28/86/85/276288685.db2.gz NIDXKRRGBAEIJT-NSHDSACASA-N 1 0 266.345 2.483 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971908 276471104 /nfs/dbraw/zinc/47/11/04/276471104.db2.gz DQGZKZQORLFWEL-NJZAAPMLSA-N 1 0 294.351 2.439 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272557403 277177772 /nfs/dbraw/zinc/17/77/72/277177772.db2.gz DPQNBAGYJOIHLB-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000037738536 278265111 /nfs/dbraw/zinc/26/51/11/278265111.db2.gz DLIMVDQKSPILIP-WDEREUQCSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCCC[C@H]1C ZINC000048559510 278287422 /nfs/dbraw/zinc/28/74/22/278287422.db2.gz QEYYACHUZIGROW-MNOVXSKESA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280421 279374580 /nfs/dbraw/zinc/37/45/80/279374580.db2.gz XGLVGDKKHRWUMV-QVYZXLCWSA-N 1 0 296.392 2.329 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077420999 279681274 /nfs/dbraw/zinc/68/12/74/279681274.db2.gz PVUWDFWOMUMULR-IUCAKERBSA-N 1 0 272.732 2.355 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134627010 280027417 /nfs/dbraw/zinc/02/74/17/280027417.db2.gz YTOAPCZQJBDZAI-FRRDWIJNSA-N 1 0 276.336 2.491 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134822399 280031181 /nfs/dbraw/zinc/03/11/81/280031181.db2.gz LVZALSSVZSEWCX-NSHDSACASA-N 1 0 279.340 2.160 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000150258236 280079790 /nfs/dbraw/zinc/07/97/90/280079790.db2.gz GZNACIYBJMKJHD-MMQHEFTJSA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223164429 280212698 /nfs/dbraw/zinc/21/26/98/280212698.db2.gz IWUNNSMBIJNPNI-NWDGAFQWSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000151905883 280320848 /nfs/dbraw/zinc/32/08/48/280320848.db2.gz CEHGNBITLGJTOZ-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000249059080 280381788 /nfs/dbraw/zinc/38/17/88/280381788.db2.gz HLCNMVXNSVKCBS-SMDDNHRTSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000274603515 281007613 /nfs/dbraw/zinc/00/76/13/281007613.db2.gz UNJDNYZHCQNKCJ-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361558734 281022737 /nfs/dbraw/zinc/02/27/37/281022737.db2.gz YJTJMOPVJJXQIC-NHYWBVRUSA-N 1 0 291.351 2.162 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H]2O)o1 ZINC000424205301 281135195 /nfs/dbraw/zinc/13/51/95/281135195.db2.gz UYMYANHWCNFIFY-TZMCWYRMSA-N 1 0 288.303 2.468 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424420012 281158101 /nfs/dbraw/zinc/15/81/01/281158101.db2.gz PTZZGSHSJGEPNF-VXGBXAGGSA-N 1 0 292.339 2.295 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCC2)n1 ZINC000447579887 281840147 /nfs/dbraw/zinc/84/01/47/281840147.db2.gz MFDRQIMNKYXMCB-VXGBXAGGSA-N 1 0 264.329 2.417 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000152550167 289092624 /nfs/dbraw/zinc/09/26/24/289092624.db2.gz RHQYZJBDPOYVGI-JTQLQIEISA-N 1 0 268.313 2.291 20 5 CEBDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158326154 289231636 /nfs/dbraw/zinc/23/16/36/289231636.db2.gz LSTQXFGIFXAUFG-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1cc(N[C@H]2CO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402029783 289289067 /nfs/dbraw/zinc/28/90/67/289289067.db2.gz IAUNPVBVYRZJMC-WDEREUQCSA-N 1 0 287.319 2.463 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391401 290134561 /nfs/dbraw/zinc/13/45/61/290134561.db2.gz UVTOYIVAKJNKNZ-WCQYABFASA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000459442500 290149642 /nfs/dbraw/zinc/14/96/42/290149642.db2.gz MBOFZBWUJQAPKV-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO Cc1ccc(C[NH2+]C2(CO)CCSCC2)cc1[N+](=O)[O-] ZINC000459721086 290216590 /nfs/dbraw/zinc/21/65/90/290216590.db2.gz GZMTYYWSLLTUMA-UHFFFAOYSA-N 1 0 296.392 2.251 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459772905 290234896 /nfs/dbraw/zinc/23/48/96/290234896.db2.gz JZQOXVTXMBWTEA-YPMHNXCESA-N 1 0 280.324 2.131 20 5 CEBDRO COCC1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539649689 298251206 /nfs/dbraw/zinc/25/12/06/298251206.db2.gz FIKWZTNCLMCRST-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000540918116 298270790 /nfs/dbraw/zinc/27/07/90/298270790.db2.gz GIPPJZAOJFQLBP-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541597177 298281738 /nfs/dbraw/zinc/28/17/38/298281738.db2.gz NPTRSMDKQZXUOZ-JTQLQIEISA-N 1 0 289.335 2.454 20 5 CEBDRO O=C(CC[NH2+]C1(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000542522211 298291386 /nfs/dbraw/zinc/29/13/86/298291386.db2.gz RFJZFVALNGBJTD-UHFFFAOYSA-N 1 0 289.335 2.456 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504589 298324688 /nfs/dbraw/zinc/32/46/88/298324688.db2.gz PGLUEVOXGQNJBU-ZJUUUORDSA-N 1 0 281.356 2.377 20 5 CEBDRO CC(C)(O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000546611199 298352862 /nfs/dbraw/zinc/35/28/62/298352862.db2.gz DDENCCFVXNQACS-UHFFFAOYSA-N 1 0 264.325 2.114 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCCO ZINC000567248392 299046272 /nfs/dbraw/zinc/04/62/72/299046272.db2.gz BZMJZUJSTBXQNY-CYBMUJFWSA-N 1 0 264.325 2.334 20 5 CEBDRO Cc1ccnc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000294901045 302272331 /nfs/dbraw/zinc/27/23/31/302272331.db2.gz IESQBDKPXXDWMW-NSHDSACASA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000514855572 313058533 /nfs/dbraw/zinc/05/85/33/313058533.db2.gz PRQRYKHIMVGHBJ-NHYWBVRUSA-N 1 0 291.351 2.223 20 5 CEBDRO CSc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000567926292 313922680 /nfs/dbraw/zinc/92/26/80/313922680.db2.gz FXTJLEHDHGRVPG-DTWKUNHWSA-N 1 0 297.380 2.172 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000569600748 314002839 /nfs/dbraw/zinc/00/28/39/314002839.db2.gz LAIFHBBLDWHOQW-GMXVVIOVSA-N 1 0 291.351 2.078 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCn2ccnc2C1 ZINC000570174903 314029980 /nfs/dbraw/zinc/02/99/80/314029980.db2.gz GRYDHQJPHUYMCQ-BXUZGUMPSA-N 1 0 298.346 2.383 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000571514064 314094395 /nfs/dbraw/zinc/09/43/95/314094395.db2.gz XEIMUJDFZPKXQH-ZLKJLUDKSA-N 1 0 264.325 2.467 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574149569 314190271 /nfs/dbraw/zinc/19/02/71/314190271.db2.gz JFYZTJKGOLKTRG-SNVBAGLBSA-N 1 0 289.339 2.002 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000574219055 314198486 /nfs/dbraw/zinc/19/84/86/314198486.db2.gz INFOXVDVHJFHEU-BXUZGUMPSA-N 1 0 298.346 2.452 20 5 CEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842353 314316581 /nfs/dbraw/zinc/31/65/81/314316581.db2.gz GNYMMAYLSHHUCO-GXFFZTMASA-N 1 0 294.330 2.192 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)O ZINC000577389107 314372231 /nfs/dbraw/zinc/37/22/31/314372231.db2.gz VUNMTCRLGOIBND-TVYUQYBPSA-N 1 0 264.325 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000577485743 314381692 /nfs/dbraw/zinc/38/16/92/314381692.db2.gz YXVVOECNEPCORB-GYSYKLTISA-N 1 0 264.325 2.467 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000580782059 322344338 /nfs/dbraw/zinc/34/43/38/322344338.db2.gz SDOVGRLXBZICCY-AAEUAGOBSA-N 1 0 263.341 2.215 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000581131632 322371811 /nfs/dbraw/zinc/37/18/11/322371811.db2.gz NOCVBAHNBIFOAP-MNOVXSKESA-N 1 0 281.356 2.209 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000582608511 322487939 /nfs/dbraw/zinc/48/79/39/322487939.db2.gz ISESHLIUDUMKNC-FZMZJTMJSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1c(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399762261 326809725 /nfs/dbraw/zinc/80/97/25/326809725.db2.gz YXJFVBCDJAICEY-ZWNOBZJWSA-N 1 0 279.340 2.461 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414524378 533872854 /nfs/dbraw/zinc/87/28/54/533872854.db2.gz ZLXXMWJWGNPWSP-NQBHXWOUSA-N 1 0 264.325 2.498 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000414496083 533900188 /nfs/dbraw/zinc/90/01/88/533900188.db2.gz CTIOKGNYURRSHL-SCZZXKLOSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418131055 534090216 /nfs/dbraw/zinc/09/02/16/534090216.db2.gz HIMIIQREUGBXFK-LBPRGKRZSA-N 1 0 299.321 2.332 20 5 CEBDRO COC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000048331288 522915592 /nfs/dbraw/zinc/91/55/92/522915592.db2.gz QRJGEJATCQTWMS-UHFFFAOYSA-N 1 0 292.335 2.288 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280535 522935864 /nfs/dbraw/zinc/93/58/64/522935864.db2.gz QWWYPBBVKYGGTC-FTNGCUSPSA-N 1 0 284.381 2.403 20 5 CEBDRO Cc1ccc(CN[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049554070 524602883 /nfs/dbraw/zinc/60/28/83/524602883.db2.gz AANPMYFCEJYVMK-GFCCVEGCSA-N 1 0 265.357 2.333 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000052926256 525535540 /nfs/dbraw/zinc/53/55/40/525535540.db2.gz FQDVIAWEHURWPM-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C)CC1 ZINC000052812787 525576176 /nfs/dbraw/zinc/57/61/76/525576176.db2.gz DCNOQSZPTNTMJA-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000149573506 525730136 /nfs/dbraw/zinc/73/01/36/525730136.db2.gz GQGJQDMUQMBRDS-JQWIXIFHSA-N 1 0 250.298 2.170 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000366506197 527145387 /nfs/dbraw/zinc/14/53/87/527145387.db2.gz IGDQPXSFCQBQPN-FGWVZKOKSA-N 1 0 295.364 2.141 20 5 CEBDRO CC(C)(NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000162242278 527268960 /nfs/dbraw/zinc/26/89/60/527268960.db2.gz RICHCDLTCGOKLE-LBPRGKRZSA-N 1 0 291.351 2.088 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000414349927 527807953 /nfs/dbraw/zinc/80/79/53/527807953.db2.gz UDMYXQGNYPLAPY-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO CC[N@H+](CCC1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000355034136 528425266 /nfs/dbraw/zinc/42/52/66/528425266.db2.gz KRLWTIMYDVHPRG-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761079327 574518543 /nfs/dbraw/zinc/51/85/43/574518543.db2.gz QSTIKJDZPZMIHY-NEPJUHHUSA-N 1 0 263.341 2.292 20 5 CEBDRO C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000744408981 575120972 /nfs/dbraw/zinc/12/09/72/575120972.db2.gz HYWFPOMPGVAXIF-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047938 575147417 /nfs/dbraw/zinc/14/74/17/575147417.db2.gz UHUFRZDVGDFWCP-SKDRFNHKSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050162645 623325923 /nfs/dbraw/zinc/32/59/23/623325923.db2.gz PFTUTUUXZYBZOU-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000062351002 625652562 /nfs/dbraw/zinc/65/25/62/625652562.db2.gz GVHVBZJCBCFYNO-FZMZJTMJSA-N 1 0 264.325 2.360 20 5 CEBDRO CC(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021846383 623544686 /nfs/dbraw/zinc/54/46/86/623544686.db2.gz UBFPHXLEJCRDBO-PHIMTYICSA-N 1 0 297.380 2.049 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000235607215 625672702 /nfs/dbraw/zinc/67/27/02/625672702.db2.gz NXAMTIWLQZOUON-NOZJJQNGSA-N 1 0 268.288 2.391 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000891792462 623973377 /nfs/dbraw/zinc/97/33/77/623973377.db2.gz IJQTYYYNTWNGLM-NSHDSACASA-N 1 0 294.355 2.285 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000176195943 624171968 /nfs/dbraw/zinc/17/19/68/624171968.db2.gz QNVNDZPCUGXDOI-BETUJISGSA-N 1 0 278.356 2.488 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1OC ZINC000892032587 624263179 /nfs/dbraw/zinc/26/31/79/624263179.db2.gz OIFKLRBUVGFGOW-SNVBAGLBSA-N 1 0 282.344 2.141 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000051694673 624523945 /nfs/dbraw/zinc/52/39/45/624523945.db2.gz OWDXEVQFIBCCBB-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO CC(C)CCOCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158636195 624581127 /nfs/dbraw/zinc/58/11/27/624581127.db2.gz LERVGCNJSZHWGA-HNNXBMFYSA-N 1 0 296.367 2.281 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](O)[C@@H](F)C1 ZINC000934566061 624591497 /nfs/dbraw/zinc/59/14/97/624591497.db2.gz DPCCXNXIJJDSNV-LEWSCRJBSA-N 1 0 282.315 2.369 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000248085502 624816853 /nfs/dbraw/zinc/81/68/53/624816853.db2.gz RYBZYWGEYUWKQR-UHFFFAOYSA-N 1 0 286.353 2.463 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000081554777 628179861 /nfs/dbraw/zinc/17/98/61/628179861.db2.gz QNLPPOKTCMVWBB-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO CC[C@@H](C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21)[NH+](C)C ZINC000840409986 634637788 /nfs/dbraw/zinc/63/77/88/634637788.db2.gz WZXSBDYQQSGDSY-LBPRGKRZSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000931036223 628338133 /nfs/dbraw/zinc/33/81/33/628338133.db2.gz DHJAPMPLKFCVQA-WCQYABFASA-N 1 0 263.341 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000312643863 628357725 /nfs/dbraw/zinc/35/77/25/628357725.db2.gz DJALQEQZWFHVBF-ZYHUDNBSSA-N 1 0 286.278 2.406 20 5 CEBDRO C[NH+]1C[C@@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931304712 628508675 /nfs/dbraw/zinc/50/86/75/628508675.db2.gz QDCASYVEMKCAGX-HOTGVXAUSA-N 1 0 289.379 2.368 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000893939161 629054698 /nfs/dbraw/zinc/05/46/98/629054698.db2.gz IACOTHTVLKHLHX-ZANVPECISA-N 1 0 281.743 2.389 20 5 CEBDRO O=C1CC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000821402227 634711724 /nfs/dbraw/zinc/71/17/24/634711724.db2.gz OKDXMPMYAPWVPK-AWEZNQCLSA-N 1 0 290.319 2.265 20 5 CEBDRO [NH3+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947722 629371540 /nfs/dbraw/zinc/37/15/40/629371540.db2.gz NMXIUTJDWSIDMD-SNVBAGLBSA-N 1 0 269.732 2.029 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H]1C ZINC000795102003 629441676 /nfs/dbraw/zinc/44/16/76/629441676.db2.gz OIVIUDMZBCZFGO-JTQLQIEISA-N 1 0 281.360 2.016 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000894558918 629526517 /nfs/dbraw/zinc/52/65/17/629526517.db2.gz DADBGQVNQCCAKZ-NSHDSACASA-N 1 0 293.371 2.147 20 5 CEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c2cnccc21 ZINC000894878939 629713973 /nfs/dbraw/zinc/71/39/73/629713973.db2.gz NSCKJJLYHGZSKX-TXEJJXNPSA-N 1 0 298.346 2.426 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049084268 629751279 /nfs/dbraw/zinc/75/12/79/629751279.db2.gz YQEJDWDFOJPQJF-DGCLKSJQSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084443 629752000 /nfs/dbraw/zinc/75/20/00/629752000.db2.gz RKZYEABKJKGOBR-GXTWGEPZSA-N 1 0 263.341 2.340 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894964163 629770950 /nfs/dbraw/zinc/77/09/50/629770950.db2.gz LNJBWQDAPVLSFM-UHFFFAOYSA-N 1 0 298.339 2.167 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000895771486 630339848 /nfs/dbraw/zinc/33/98/48/630339848.db2.gz LWCFGLROFPPAAI-VIFPVBQESA-N 1 0 278.337 2.321 20 5 CEBDRO CCO[C@H](CNc1ccc(C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896114615 630468128 /nfs/dbraw/zinc/46/81/28/630468128.db2.gz BAPOABNLFMCPDV-GFCCVEGCSA-N 1 0 281.356 2.282 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000896125361 630474145 /nfs/dbraw/zinc/47/41/45/630474145.db2.gz RAQHEACKSZNLOH-KOLCDFICSA-N 1 0 296.298 2.165 20 5 CEBDRO CO[C@]12CCC[C@@]1([NH2+]Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000896415133 630558497 /nfs/dbraw/zinc/55/84/97/630558497.db2.gz IRWOCAVPCVNCRI-CABCVRRESA-N 1 0 292.335 2.370 20 5 CEBDRO CC1=CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797999140 630798791 /nfs/dbraw/zinc/79/87/91/630798791.db2.gz QQWHFWVUQDXNOR-CQSZACIVSA-N 1 0 262.309 2.280 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897355257 631169856 /nfs/dbraw/zinc/16/98/56/631169856.db2.gz KOTDVSIIFTWJBR-JLIMDTESSA-N 1 0 270.716 2.109 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064946 631245349 /nfs/dbraw/zinc/24/53/49/631245349.db2.gz PQUHAOUSZBZSSM-IUCAKERBSA-N 1 0 256.277 2.419 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459139 631530351 /nfs/dbraw/zinc/53/03/51/631530351.db2.gz IMEOISNNMVHSNQ-QWRGUYRKSA-N 1 0 280.324 2.240 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804387636 631675580 /nfs/dbraw/zinc/67/55/80/631675580.db2.gz DSYSKDGTSZTGJH-VIFPVBQESA-N 1 0 282.300 2.255 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)cc1 ZINC000897531034 631680453 /nfs/dbraw/zinc/68/04/53/631680453.db2.gz WJOIKYHUZOMJNC-UHFFFAOYSA-N 1 0 276.336 2.380 20 5 CEBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CC1 ZINC000804431309 631681275 /nfs/dbraw/zinc/68/12/75/631681275.db2.gz AQOSMIASVIZBBM-LBPRGKRZSA-N 1 0 294.311 2.255 20 5 CEBDRO COc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)on1 ZINC000925314508 631801437 /nfs/dbraw/zinc/80/14/37/631801437.db2.gz SVLGNDRGHWSOOM-SECBINFHSA-N 1 0 277.280 2.442 20 5 CEBDRO Cc1nn(C[N@@H+]2CCC[C@H](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000808226627 631938750 /nfs/dbraw/zinc/93/87/50/631938750.db2.gz GQBIJMOBNKFCHM-ZDUSSCGKSA-N 1 0 278.356 2.488 20 5 CEBDRO CC1(C)CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000898034432 632028292 /nfs/dbraw/zinc/02/82/92/632028292.db2.gz OWACWRJHORDUTI-UHFFFAOYSA-N 1 0 291.395 2.459 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CC2)c(Cl)c1 ZINC000898203241 632084250 /nfs/dbraw/zinc/08/42/50/632084250.db2.gz GYPCKAGGFGUMJA-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO COC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000809736541 632134445 /nfs/dbraw/zinc/13/44/45/632134445.db2.gz YZJOREVLCAFKRP-UHFFFAOYSA-N 1 0 293.367 2.319 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085882 632454835 /nfs/dbraw/zinc/45/48/35/632454835.db2.gz SIEKWQNNPAYTGV-TZMCWYRMSA-N 1 0 294.351 2.359 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000840268844 632586358 /nfs/dbraw/zinc/58/63/58/632586358.db2.gz IHBMCAXCEPZJLL-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000814173719 632798985 /nfs/dbraw/zinc/79/89/85/632798985.db2.gz ORHCUXLCZOXCPP-FZMZJTMJSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@@H](Cc1ccccc1Br)[NH2+]CC[N+](=O)[O-] ZINC000905169235 635867609 /nfs/dbraw/zinc/86/76/09/635867609.db2.gz ONCCEMNVVAKYSI-VIFPVBQESA-N 1 0 287.157 2.246 20 5 CEBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]1 ZINC000817906907 633766264 /nfs/dbraw/zinc/76/62/64/633766264.db2.gz GTZNXPRAALOOKJ-NOZJJQNGSA-N 1 0 283.759 2.478 20 5 CEBDRO Nc1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000818619335 633962703 /nfs/dbraw/zinc/96/27/03/633962703.db2.gz YGEZOUYJOBYYSL-XYPYZODXSA-N 1 0 279.340 2.321 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC2CC2)c1 ZINC000819088555 634065426 /nfs/dbraw/zinc/06/54/26/634065426.db2.gz UCVGEDLHFNXYOT-CQSZACIVSA-N 1 0 264.325 2.408 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202489 634103273 /nfs/dbraw/zinc/10/32/73/634103273.db2.gz AZDQGWQVFWWHMQ-XUJVJEKNSA-N 1 0 294.351 2.033 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207520 634104806 /nfs/dbraw/zinc/10/48/06/634104806.db2.gz MPCONUKZFQGSJF-NWANDNLSSA-N 1 0 294.351 2.033 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207845 634104811 /nfs/dbraw/zinc/10/48/11/634104811.db2.gz QUEWHAMJBJIQSO-NWANDNLSSA-N 1 0 294.351 2.033 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207843 634105153 /nfs/dbraw/zinc/10/51/53/634105153.db2.gz QUEWHAMJBJIQSO-AEGPPILISA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819249772 634116818 /nfs/dbraw/zinc/11/68/18/634116818.db2.gz LZTGWALVXFQLAD-UPJWGTAASA-N 1 0 294.351 2.113 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000819376523 634161397 /nfs/dbraw/zinc/16/13/97/634161397.db2.gz ZFCLDWMCSNSDTQ-CABCVRRESA-N 1 0 296.367 2.279 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903073733 634967645 /nfs/dbraw/zinc/96/76/45/634967645.db2.gz JZWPBMHYRGBOHM-JTQLQIEISA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092780 634975007 /nfs/dbraw/zinc/97/50/07/634975007.db2.gz LWVWPNOKMBPGGH-CMPLNLGQSA-N 1 0 280.324 2.433 20 5 CEBDRO Cc1ccc(-c2noc([C@@H](C)C[NH3+])n2)cc1[N+](=O)[O-] ZINC000822723362 634980954 /nfs/dbraw/zinc/98/09/54/634980954.db2.gz UVSBHAQFPMDOGY-QMMMGPOBSA-N 1 0 262.269 2.015 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903148203 634995845 /nfs/dbraw/zinc/99/58/45/634995845.db2.gz QPYWVNUWLWVKKR-MXWKQRLJSA-N 1 0 282.340 2.413 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[C@@H](C)[NH3+])n1 ZINC000822807653 635000535 /nfs/dbraw/zinc/00/05/35/635000535.db2.gz CKZNOPARRFCFRS-RKDXNWHRSA-N 1 0 276.296 2.404 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCC2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903187007 635013016 /nfs/dbraw/zinc/01/30/16/635013016.db2.gz PTDNZFRAAJAFOA-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000903218179 635020447 /nfs/dbraw/zinc/02/04/47/635020447.db2.gz JRKCJDTWKRTUJK-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903227238 635026777 /nfs/dbraw/zinc/02/67/77/635026777.db2.gz OSQOHWUAQYJXDO-CKYFFXLPSA-N 1 0 280.324 2.025 20 5 CEBDRO Cc1c(-c2noc(C[C@H]3CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000823268987 635118920 /nfs/dbraw/zinc/11/89/20/635118920.db2.gz AWGWDBJYFGIOIB-SNVBAGLBSA-N 1 0 288.307 2.105 20 5 CEBDRO Cc1c(-c2noc([C@H]3CC[NH2+][C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000823269491 635119051 /nfs/dbraw/zinc/11/90/51/635119051.db2.gz HLGWVQIBNUUYHQ-ONGXEEELSA-N 1 0 288.307 2.419 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841078086 635261189 /nfs/dbraw/zinc/26/11/89/635261189.db2.gz FSSMCQANHHUVSD-HTQZYQBOSA-N 1 0 257.721 2.074 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903883398 635326201 /nfs/dbraw/zinc/32/62/01/635326201.db2.gz VMXSTSJORJISDM-CYBMUJFWSA-N 1 0 289.379 2.343 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000825648487 635685732 /nfs/dbraw/zinc/68/57/32/635685732.db2.gz SQLITPFPCJWTQW-CYBMUJFWSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905144887 635846645 /nfs/dbraw/zinc/84/66/45/635846645.db2.gz KVDWMFUYAHTONM-HUUCEWRRSA-N 1 0 278.352 2.329 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Br)cc2)CC1 ZINC000905408536 636260577 /nfs/dbraw/zinc/26/05/77/636260577.db2.gz OVMFLNWUXIOZSM-UHFFFAOYSA-N 1 0 299.168 2.347 20 5 CEBDRO CC(C)[NH2+]Cc1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000905790124 636460444 /nfs/dbraw/zinc/46/04/44/636460444.db2.gz ZFYWOQKYECJWHW-NSHDSACASA-N 1 0 289.339 2.294 20 5 CEBDRO C[C@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000828348507 636577154 /nfs/dbraw/zinc/57/71/54/636577154.db2.gz ITCXBQFNLQSENJ-CYBMUJFWSA-N 1 0 299.415 2.203 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876544500 650315338 /nfs/dbraw/zinc/31/53/38/650315338.db2.gz VIFMFDRXVBKHGJ-GFCCVEGCSA-N 1 0 293.367 2.459 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[NH+](C2CC2)CC1 ZINC000876566377 650334527 /nfs/dbraw/zinc/33/45/27/650334527.db2.gz IIWJDHFRMPPQLT-UHFFFAOYSA-N 1 0 289.379 2.492 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000042372420 637816772 /nfs/dbraw/zinc/81/67/72/637816772.db2.gz KPPHWYVMKHGZIB-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914562 637987581 /nfs/dbraw/zinc/98/75/81/637987581.db2.gz ICVHNEBYVPFEOS-CKYFFXLPSA-N 1 0 279.340 2.395 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000924842724 638457810 /nfs/dbraw/zinc/45/78/10/638457810.db2.gz VFCMJZJJQLZHFD-JTQLQIEISA-N 1 0 282.340 2.100 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000227697092 639602453 /nfs/dbraw/zinc/60/24/53/639602453.db2.gz QSXLFDVVHJJIQC-SKDRFNHKSA-N 1 0 284.743 2.499 20 5 CEBDRO CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000841012104 639617269 /nfs/dbraw/zinc/61/72/69/639617269.db2.gz ZLVBGLFKNFKCSA-VIFPVBQESA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]C2)cc1Cl ZINC000841041598 639629509 /nfs/dbraw/zinc/62/95/09/639629509.db2.gz AEUKYKGDJJPHKG-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000230206876 639746536 /nfs/dbraw/zinc/74/65/36/639746536.db2.gz NIABJHQEUYMIGU-LBPRGKRZSA-N 1 0 280.324 2.144 20 5 CEBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000172962674 639831731 /nfs/dbraw/zinc/83/17/31/639831731.db2.gz OKUUKMHQVZLTLN-UHFFFAOYSA-N 1 0 260.297 2.386 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000089168841 640143403 /nfs/dbraw/zinc/14/34/03/640143403.db2.gz YAOHLKHHAQNCOC-GXTWGEPZSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[NH2+]CC2)c1 ZINC000843047613 640252730 /nfs/dbraw/zinc/25/27/30/640252730.db2.gz QMXFEFFBJCGZJB-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843074668 640269760 /nfs/dbraw/zinc/26/97/60/640269760.db2.gz HPVKVSZPMMDMNH-LNSITVRQSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000843117493 640287227 /nfs/dbraw/zinc/28/72/27/640287227.db2.gz ZAESLMDTJWEDOU-SOUVJXGZSA-N 1 0 296.367 2.013 20 5 CEBDRO Cc1cc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239535 640365330 /nfs/dbraw/zinc/36/53/30/640365330.db2.gz MXQPWWDFOUJIJP-CYBMUJFWSA-N 1 0 292.270 2.111 20 5 CEBDRO C[C@@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357438 640401506 /nfs/dbraw/zinc/40/15/06/640401506.db2.gz JOHLAYRTQVQFQV-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844374908 640698187 /nfs/dbraw/zinc/69/81/87/640698187.db2.gz MGBLNJZQGQSKQI-CQDKDKBSSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H]3CCCCO3)C2)c1 ZINC000877186688 650616486 /nfs/dbraw/zinc/61/64/86/650616486.db2.gz TUWHQWWIMNOJRR-ORHYLEIMSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000845668919 641043167 /nfs/dbraw/zinc/04/31/67/641043167.db2.gz QIUMTOUHAKJNPG-JTQLQIEISA-N 1 0 296.298 2.375 20 5 CEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845670843 641044251 /nfs/dbraw/zinc/04/42/51/641044251.db2.gz FQOOHVFHXLNRAG-NSHDSACASA-N 1 0 278.308 2.236 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)C1CC1 ZINC000848534229 642039274 /nfs/dbraw/zinc/03/92/74/642039274.db2.gz QAIGUGPERSULAV-ZIAGYGMSSA-N 1 0 276.336 2.333 20 5 CEBDRO Cn1nccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848545375 642045696 /nfs/dbraw/zinc/04/56/96/642045696.db2.gz DHHCNVIRZAKKOH-CQSZACIVSA-N 1 0 286.335 2.148 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000840765591 642130461 /nfs/dbraw/zinc/13/04/61/642130461.db2.gz YGVDOOJGLCQGFN-JLLWLGSASA-N 1 0 279.340 2.395 20 5 CEBDRO COc1ccc(CNC(=[NH2+])N2CCCCC2)cc1[N+](=O)[O-] ZINC000848996171 642216008 /nfs/dbraw/zinc/21/60/08/642216008.db2.gz ICNKRHQQVQBLPZ-UHFFFAOYSA-N 1 0 292.339 2.114 20 5 CEBDRO CON(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000850478836 642726124 /nfs/dbraw/zinc/72/61/24/642726124.db2.gz HEBFZIYMIRPNCF-AWEZNQCLSA-N 1 0 279.340 2.055 20 5 CEBDRO CCC(CC)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OC ZINC000877548107 650780877 /nfs/dbraw/zinc/78/08/77/650780877.db2.gz RXUCAMUPXZDHHM-UHFFFAOYSA-N 1 0 296.371 2.290 20 5 CEBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877568855 650793406 /nfs/dbraw/zinc/79/34/06/650793406.db2.gz BYBGOLYESGTPTE-BBCYWQGDSA-N 1 0 278.356 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000922556764 643126787 /nfs/dbraw/zinc/12/67/87/643126787.db2.gz XBBJJEUZSVEJSV-OCCSQVGLSA-N 1 0 277.368 2.394 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000922557531 643127572 /nfs/dbraw/zinc/12/75/72/643127572.db2.gz QAYCXQLYWRMPPV-FROLJDDGSA-N 1 0 275.352 2.290 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000922557326 643128043 /nfs/dbraw/zinc/12/80/43/643128043.db2.gz OCEPQKFPVAWBGB-FZMZJTMJSA-N 1 0 293.367 2.176 20 5 CEBDRO CC(C)O[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000922609637 643161045 /nfs/dbraw/zinc/16/10/45/643161045.db2.gz LBDVNXXATHRVSP-OAHLLOKOSA-N 1 0 294.351 2.269 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877634315 650825234 /nfs/dbraw/zinc/82/52/34/650825234.db2.gz MPPQANGUVZLLAQ-TXEJJXNPSA-N 1 0 292.335 2.253 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1F ZINC000852345544 643401483 /nfs/dbraw/zinc/40/14/83/643401483.db2.gz FMQGSKSULUGWPF-FRRDWIJNSA-N 1 0 294.326 2.327 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922934580 643462726 /nfs/dbraw/zinc/46/27/26/643462726.db2.gz LXGSADFEOKDRSK-ZDUSSCGKSA-N 1 0 294.351 2.107 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000852555401 643470695 /nfs/dbraw/zinc/47/06/95/643470695.db2.gz TWUYRHIJKPTQCH-UONOGXRCSA-N 1 0 264.325 2.406 20 5 CEBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000877723335 650871783 /nfs/dbraw/zinc/87/17/83/650871783.db2.gz ZMQDQVNFVUPEQJ-XUJVJEKNSA-N 1 0 290.319 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000839196027 644189715 /nfs/dbraw/zinc/18/97/15/644189715.db2.gz LHBJANRMHWBCJA-BEAPCOKYSA-N 1 0 276.336 2.406 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877753757 650898524 /nfs/dbraw/zinc/89/85/24/650898524.db2.gz RWCLFPJKELUMQY-ZDUSSCGKSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100867 644325286 /nfs/dbraw/zinc/32/52/86/644325286.db2.gz JJYIPGJNGIPVGB-CHWSQXEVSA-N 1 0 275.352 2.373 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754517406 644384396 /nfs/dbraw/zinc/38/43/96/644384396.db2.gz CWWMIXGNBRRMOM-LBPRGKRZSA-N 1 0 278.308 2.026 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000754543803 644387632 /nfs/dbraw/zinc/38/76/32/644387632.db2.gz ZKKORNOLLUWTFY-ZDUSSCGKSA-N 1 0 292.335 2.335 20 5 CEBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000756333118 644631377 /nfs/dbraw/zinc/63/13/77/644631377.db2.gz IJNDHMIQBQJRHP-UHFFFAOYSA-N 1 0 298.730 2.026 20 5 CEBDRO [NH3+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843046884 644748523 /nfs/dbraw/zinc/74/85/23/644748523.db2.gz DESDIGNNFWGMFG-SNVBAGLBSA-N 1 0 283.759 2.419 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000761076663 645233059 /nfs/dbraw/zinc/23/30/59/645233059.db2.gz KBNYURPHPJZERC-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761091488 645237185 /nfs/dbraw/zinc/23/71/85/645237185.db2.gz KIIYBKIHMVRHBM-RISCZKNCSA-N 1 0 289.335 2.326 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943984 645824639 /nfs/dbraw/zinc/82/46/39/645824639.db2.gz NLXGNYXOSBVYAE-JEOXALJRSA-N 1 0 284.381 2.322 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943861 645824929 /nfs/dbraw/zinc/82/49/29/645824929.db2.gz NEXOKFXITKSDDD-WYRIXSBYSA-N 1 0 284.381 2.322 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000771195014 646499017 /nfs/dbraw/zinc/49/90/17/646499017.db2.gz GHURXJJVWYJJLQ-VIFPVBQESA-N 1 0 283.303 2.106 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000772110131 646595331 /nfs/dbraw/zinc/59/53/31/646595331.db2.gz PMZBSATWVICWQT-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774162349 646811877 /nfs/dbraw/zinc/81/18/77/646811877.db2.gz HTVCOIZAVBTURI-IUODEOHRSA-N 1 0 275.352 2.266 20 5 CEBDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181897 646928683 /nfs/dbraw/zinc/92/86/83/646928683.db2.gz ZSQHLXXKMLWIEQ-PFEDMVJOSA-N 1 0 278.308 2.365 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593794 647076733 /nfs/dbraw/zinc/07/67/33/647076733.db2.gz ZABJFGHFZMDBMG-BXUZGUMPSA-N 1 0 264.325 2.360 20 5 CEBDRO CCCC[N@H+](CCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605474 647078938 /nfs/dbraw/zinc/07/89/38/647078938.db2.gz LFHRWTDWXJVCFG-HNNXBMFYSA-N 1 0 296.367 2.113 20 5 CEBDRO C[C@H]1C[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1C ZINC000865557179 647358361 /nfs/dbraw/zinc/35/83/61/647358361.db2.gz JFEAKLXVWCMHFE-ONGXEEELSA-N 1 0 297.330 2.121 20 5 CEBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863404 647366829 /nfs/dbraw/zinc/36/68/29/647366829.db2.gz OQJKOONOFXUGGX-ONGXEEELSA-N 1 0 252.318 2.178 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787539 647464784 /nfs/dbraw/zinc/46/47/84/647464784.db2.gz PREDWCVSGPVMPZ-RAIGVLPGSA-N 1 0 292.335 2.190 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000865903896 647529951 /nfs/dbraw/zinc/52/99/51/647529951.db2.gz MCOCWQMITUGMGI-ZJUUUORDSA-N 1 0 297.305 2.261 20 5 CEBDRO Cc1cc(N2C[C@H]3C[C@@]3(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782404098 647623091 /nfs/dbraw/zinc/62/30/91/647623091.db2.gz TWOAFEODUUJFSC-BZNIZROVSA-N 1 0 299.330 2.270 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206364 647670324 /nfs/dbraw/zinc/67/03/24/647670324.db2.gz KJJNULVZIIGFSI-ZYHUDNBSSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1 ZINC000866241060 647689427 /nfs/dbraw/zinc/68/94/27/647689427.db2.gz UWQVQGUBZXGCSD-FZMZJTMJSA-N 1 0 295.358 2.349 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1Cl ZINC000783599916 647735820 /nfs/dbraw/zinc/73/58/20/647735820.db2.gz HRYKLCGZKMHSEP-SECBINFHSA-N 1 0 298.648 2.261 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000866399163 647774248 /nfs/dbraw/zinc/77/42/48/647774248.db2.gz TWPMOJMBPOAOJC-BREBYQMCSA-N 1 0 282.315 2.025 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000930276544 647854992 /nfs/dbraw/zinc/85/49/92/647854992.db2.gz PUJLMQAOZNACBM-CQSZACIVSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)(F)CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867983739 648010251 /nfs/dbraw/zinc/01/02/51/648010251.db2.gz DOOGTCKOCVCJNB-AWEZNQCLSA-N 1 0 297.330 2.023 20 5 CEBDRO CCN(CCC[NH+](C)C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000786820089 648048041 /nfs/dbraw/zinc/04/80/41/648048041.db2.gz UFWGNJIUMHQNEE-UHFFFAOYSA-N 1 0 291.355 2.021 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591880 648205636 /nfs/dbraw/zinc/20/56/36/648205636.db2.gz JGSSXKNJRJOZKY-YGRLFVJLSA-N 1 0 281.356 2.235 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554830 648542448 /nfs/dbraw/zinc/54/24/48/648542448.db2.gz DRWUKTNSDLCMCB-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017267 649241697 /nfs/dbraw/zinc/24/16/97/649241697.db2.gz XXSMJFQZLXFSKO-RKDXNWHRSA-N 1 0 256.277 2.419 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053424 649255627 /nfs/dbraw/zinc/25/56/27/649255627.db2.gz KCKIILYTHHPWAZ-VIFPVBQESA-N 1 0 297.330 2.157 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000872126653 649285444 /nfs/dbraw/zinc/28/54/44/649285444.db2.gz PZWXHMABLUHDTE-SRVKXCTJSA-N 1 0 264.325 2.325 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000872232138 649323096 /nfs/dbraw/zinc/32/30/96/649323096.db2.gz ZEQWOIUFDJJZTK-CQSZACIVSA-N 1 0 296.367 2.169 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243247 649326279 /nfs/dbraw/zinc/32/62/79/649326279.db2.gz MHFBCKSFGOXNFO-ZIAGYGMSSA-N 1 0 294.351 2.033 20 5 CEBDRO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872778424 649486146 /nfs/dbraw/zinc/48/61/46/649486146.db2.gz AJNZNIOFXDWXBC-CHWSQXEVSA-N 1 0 291.351 2.276 20 5 CEBDRO C[C@@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000872817659 649496205 /nfs/dbraw/zinc/49/62/05/649496205.db2.gz AEDZTBUFPXTVBC-JTQLQIEISA-N 1 0 254.334 2.363 20 5 CEBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051767 649544390 /nfs/dbraw/zinc/54/43/90/649544390.db2.gz OMWRDUHWGQCHAX-YGRLFVJLSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000878712790 651171415 /nfs/dbraw/zinc/17/14/15/651171415.db2.gz FVFFNXSCYVAFCG-ZNMIVQPWSA-N 1 0 290.363 2.496 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC([NH+](C)C)C1 ZINC000879872883 651358383 /nfs/dbraw/zinc/35/83/83/651358383.db2.gz PTHSDLZATDFYID-UHFFFAOYSA-N 1 0 291.351 2.034 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000880134547 651388245 /nfs/dbraw/zinc/38/82/45/651388245.db2.gz TXEYSWGHABXBIA-GJZGRUSLSA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880440006 651441520 /nfs/dbraw/zinc/44/15/20/651441520.db2.gz PTXQAHBQMVDMNS-MWLCHTKSSA-N 1 0 268.288 2.079 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881746980 651871780 /nfs/dbraw/zinc/87/17/80/651871780.db2.gz MZYMWDFRRCFBNH-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000882100297 651963015 /nfs/dbraw/zinc/96/30/15/651963015.db2.gz BFBSTYPXWLJIRQ-QWRGUYRKSA-N 1 0 294.330 2.049 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000882963178 652293558 /nfs/dbraw/zinc/29/35/58/652293558.db2.gz QPZROBSTIZCOFP-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000882964301 652294280 /nfs/dbraw/zinc/29/42/80/652294280.db2.gz YSEMOGJYMXKXEC-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000882964300 652294488 /nfs/dbraw/zinc/29/44/88/652294488.db2.gz YRYSMSUEMSMSKE-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CC[C@H]([NH2+]CC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130911615 652354699 /nfs/dbraw/zinc/35/46/99/652354699.db2.gz SQLVDEYLOLMIAS-ORAYPTAESA-N 1 0 284.381 2.404 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883356173 652440206 /nfs/dbraw/zinc/44/02/06/652440206.db2.gz HXRKOONQNDEJPD-FZMZJTMJSA-N 1 0 295.358 2.349 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000883429998 652467396 /nfs/dbraw/zinc/46/73/96/652467396.db2.gz KWAGRYQKFRZNDO-STQMWFEESA-N 1 0 293.342 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCS2)cc1 ZINC000134758627 652872602 /nfs/dbraw/zinc/87/26/02/652872602.db2.gz JDJOVCRVUGZEJX-CHWSQXEVSA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000135179525 652944556 /nfs/dbraw/zinc/94/45/56/652944556.db2.gz TWOYXDNUORJVAW-OSMZGAPFSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1Cl ZINC001164641410 719180605 /nfs/dbraw/zinc/18/06/05/719180605.db2.gz WBUSJUVLZPSPKX-VHSXEESVSA-N 1 0 298.774 2.480 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164632258 719184216 /nfs/dbraw/zinc/18/42/16/719184216.db2.gz DRNXAZZYDHGPGT-UWVGGRQHSA-N 1 0 298.774 2.480 20 5 CEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC001165030714 721853892 /nfs/dbraw/zinc/85/38/92/721853892.db2.gz ZQXDXOTVQAUOQX-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763607 805725872 /nfs/dbraw/zinc/72/58/72/805725872.db2.gz XHQVTSQNHKWPAM-ZDUSSCGKSA-N 1 0 250.298 2.456 20 5 CEBDRO [NH3+]Cc1cnn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001168262390 806455482 /nfs/dbraw/zinc/45/54/82/806455482.db2.gz RQRCOKFAZOKJIV-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO C[C@@H](CCNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000697868785 806718766 /nfs/dbraw/zinc/71/87/66/806718766.db2.gz DQUDHQWEIUKJPB-NSHDSACASA-N 1 0 251.330 2.025 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712527791 814763594 /nfs/dbraw/zinc/76/35/94/814763594.db2.gz GWSXQRATRKPFNK-VIFPVBQESA-N 1 0 255.705 2.364 20 5 CEBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218380305 803592207 /nfs/dbraw/zinc/59/22/07/803592207.db2.gz AAKDLGOALMXYHW-WKEGUHRASA-N 1 0 276.214 2.353 20 5 CEBDRO C[NH2+]CCNc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167724083 803675862 /nfs/dbraw/zinc/67/58/62/803675862.db2.gz KUBYBTIMMFCGFP-UHFFFAOYSA-N 1 0 292.108 2.128 20 5 CEBDRO C[NH2+]CCNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167724406 803676475 /nfs/dbraw/zinc/67/64/75/803676475.db2.gz OUUHQNKPGIBRMG-UHFFFAOYSA-N 1 0 263.219 2.245 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nccnc1[N+](=O)[O-] ZINC001167751317 803836338 /nfs/dbraw/zinc/83/63/38/803836338.db2.gz JCPMVKWRLOZMLY-LLVKDONJSA-N 1 0 279.344 2.061 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000715580815 814974833 /nfs/dbraw/zinc/97/48/33/814974833.db2.gz XJJCGFHCVWJHBS-ZJUUUORDSA-N 1 0 298.774 2.350 20 5 CEBDRO Cc1ccc(CO[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001223223144 804359436 /nfs/dbraw/zinc/35/94/36/804359436.db2.gz ZRJJTRVCEYRFSV-LBPRGKRZSA-N 1 0 250.298 2.124 20 5 CEBDRO N=C(Nc1ccc2ncccc2c1[N+](=O)[O-])SCC[NH3+] ZINC001167912034 804695000 /nfs/dbraw/zinc/69/50/00/804695000.db2.gz JPAGHJBNGBAETL-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596119911 807175481 /nfs/dbraw/zinc/17/54/81/807175481.db2.gz APWZLEODDACYOU-SNVBAGLBSA-N 1 0 298.412 2.013 20 5 CEBDRO C[NH+]1CCC(Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233596652 807428091 /nfs/dbraw/zinc/42/80/91/807428091.db2.gz DVRFEKNGHAVGOZ-UHFFFAOYSA-N 1 0 272.251 2.346 20 5 CEBDRO COC(=O)c1c(F)ccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234305686 807627733 /nfs/dbraw/zinc/62/77/33/807627733.db2.gz PHYYCZRBGIXQCQ-SECBINFHSA-N 1 0 288.314 2.225 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000699780858 807842596 /nfs/dbraw/zinc/84/25/96/807842596.db2.gz CMDQMAQEKHLSPT-QPUJVOFHSA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792854 807846161 /nfs/dbraw/zinc/84/61/61/807846161.db2.gz WSJYURYHHMQNBA-LDYMZIIASA-N 1 0 270.716 2.373 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000716907583 815159004 /nfs/dbraw/zinc/15/90/04/815159004.db2.gz HLUNYIASPAOPTF-ZYHUDNBSSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000716906988 815158740 /nfs/dbraw/zinc/15/87/40/815158740.db2.gz FMOJVJOGSGAISA-PWSUYJOCSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120474591 815226488 /nfs/dbraw/zinc/22/64/88/815226488.db2.gz KJANCCVMJMBUNC-AAEUAGOBSA-N 1 0 294.351 2.113 20 5 CEBDRO CCC1(Nc2ccnc3c2cccc3[N+](=O)[O-])C[NH2+]C1 ZINC001168582747 808669268 /nfs/dbraw/zinc/66/92/68/808669268.db2.gz ZVAAYGUKEZKGMY-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO COc1ccc([N+](=O)[O-])nc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601582 808698223 /nfs/dbraw/zinc/69/82/23/808698223.db2.gz PJNJKCPQLFAZJG-QWRGUYRKSA-N 1 0 294.355 2.283 20 5 CEBDRO CC[C@@H](C)C[C@@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168689460 808975359 /nfs/dbraw/zinc/97/53/59/808975359.db2.gz HTHLNQCSZSHURG-NXEZZACHSA-N 1 0 293.371 2.308 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627602 809333903 /nfs/dbraw/zinc/33/39/03/809333903.db2.gz IPCGQXIOQBFRJW-SCZZXKLOSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061935 809491592 /nfs/dbraw/zinc/49/15/92/809491592.db2.gz GARJBGIUMQPKGY-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702066008 809492132 /nfs/dbraw/zinc/49/21/32/809492132.db2.gz ZBXFMOSXKKDIOR-WCBMZHEXSA-N 1 0 297.742 2.200 20 5 CEBDRO CC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000702987977 809606035 /nfs/dbraw/zinc/60/60/35/809606035.db2.gz IELSUXZNDJQNSJ-UHFFFAOYSA-N 1 0 264.325 2.378 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccns1 ZINC000710008620 809977975 /nfs/dbraw/zinc/97/79/75/809977975.db2.gz GAPWCKFCNQEEOM-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001165252132 810403008 /nfs/dbraw/zinc/40/30/08/810403008.db2.gz AMTWDFGLQXRQQB-VIFPVBQESA-N 1 0 299.762 2.182 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061266 810654279 /nfs/dbraw/zinc/65/42/79/810654279.db2.gz ABQONJYBOYDTKM-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252378 815396403 /nfs/dbraw/zinc/39/64/03/815396403.db2.gz QGGBESKBXGDCDJ-SMDDNHRTSA-N 1 0 291.351 2.304 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154974978 810866396 /nfs/dbraw/zinc/86/63/96/810866396.db2.gz GMECUJRFMKUGSC-YUMQZZPRSA-N 1 0 270.720 2.325 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)nc1Cl ZINC001155916249 811161543 /nfs/dbraw/zinc/16/15/43/811161543.db2.gz NEZSFEOGNVZFHG-MRVPVSSYSA-N 1 0 272.736 2.314 20 5 CEBDRO [NH3+][C@@H]1CCN(c2ccc3ccc4cccnc4c3n2)C1 ZINC001156229311 811274083 /nfs/dbraw/zinc/27/40/83/811274083.db2.gz YQBUJGGYBYNOGM-CYBMUJFWSA-N 1 0 264.332 2.320 20 5 CEBDRO COc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976196 811304799 /nfs/dbraw/zinc/30/47/99/811304799.db2.gz ZHSMIIRFQPXBRV-GHMZBOCLSA-N 1 0 282.315 2.369 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1OC ZINC001168958523 811312447 /nfs/dbraw/zinc/31/24/47/811312447.db2.gz NUHPMXXFYZFUAO-DGCLKSJQSA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001168956973 811312792 /nfs/dbraw/zinc/31/27/92/811312792.db2.gz DFACBCHKKCXYAE-SFYZADRCSA-N 1 0 275.761 2.332 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001168959358 811314810 /nfs/dbraw/zinc/31/48/10/811314810.db2.gz VEPNASMZMGTFJE-GHMZBOCLSA-N 1 0 270.279 2.500 20 5 CEBDRO CN(C)c1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967393 811318228 /nfs/dbraw/zinc/31/82/28/811318228.db2.gz POELFIPPMUNYBW-OCCSQVGLSA-N 1 0 277.368 2.288 20 5 CEBDRO [NH3+]Cc1c(F)cccc1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967554 811318468 /nfs/dbraw/zinc/31/84/68/811318468.db2.gz QRJBNVZGDNSBKC-UWVGGRQHSA-N 1 0 267.304 2.142 20 5 CEBDRO Cc1ccnc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168967617 811320392 /nfs/dbraw/zinc/32/03/92/811320392.db2.gz RHFWVFUYQMFRPE-AVGNSLFASA-N 1 0 263.341 2.486 20 5 CEBDRO CC(C)(C)CN1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991609 811323225 /nfs/dbraw/zinc/32/32/25/811323225.db2.gz IAIPGBVHZXKTQW-RDBSUJKOSA-N 1 0 283.416 2.142 20 5 CEBDRO [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168995229 811324441 /nfs/dbraw/zinc/32/44/41/811324441.db2.gz SAAIIHOSVXPGLV-KBPBESRZSA-N 1 0 281.400 2.025 20 5 CEBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008001 811332545 /nfs/dbraw/zinc/33/25/45/811332545.db2.gz QOEOUSNTMSEDRA-MDZLAQPJSA-N 1 0 292.335 2.164 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001169007258 811332804 /nfs/dbraw/zinc/33/28/04/811332804.db2.gz MCOQMCDCSKUVGC-ZBFHGGJFSA-N 1 0 295.427 2.382 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(OC3CCC3)CC2)C1 ZINC001169011802 811334316 /nfs/dbraw/zinc/33/43/16/811334316.db2.gz MKCJZDPADUPMMB-STQMWFEESA-N 1 0 282.384 2.465 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001169030365 811344801 /nfs/dbraw/zinc/34/48/01/811344801.db2.gz ZBWJDVHEYUOBOD-OCCSQVGLSA-N 1 0 276.336 2.326 20 5 CEBDRO CCOCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036386 811346754 /nfs/dbraw/zinc/34/67/54/811346754.db2.gz FRUCTIUWSKQPLR-UONOGXRCSA-N 1 0 270.373 2.180 20 5 CEBDRO CC[N@H+](Cc1ccccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036898 811347053 /nfs/dbraw/zinc/34/70/53/811347053.db2.gz QMRBZFPBXJTHOQ-GXTWGEPZSA-N 1 0 263.341 2.349 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC001169039982 811348282 /nfs/dbraw/zinc/34/82/82/811348282.db2.gz WORNROXKXDEUQZ-KBPBESRZSA-N 1 0 282.384 2.467 20 5 CEBDRO CCOC(=O)C1(C)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037572 811348696 /nfs/dbraw/zinc/34/86/96/811348696.db2.gz SQGMEEWLAWVLTC-CHWSQXEVSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](CC3CCCC3)CC2)C1 ZINC001169023901 811354206 /nfs/dbraw/zinc/35/42/06/811354206.db2.gz GKTAXHNNPMPNEY-HZPDHXFCSA-N 1 0 295.427 2.240 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001169045743 811354937 /nfs/dbraw/zinc/35/49/37/811354937.db2.gz JVPCJRGSGLZMDY-OBJOEFQTSA-N 1 0 292.383 2.344 20 5 CEBDRO COc1cc(NC(C)(C)CC[NH+](C)C)cnc1[N+](=O)[O-] ZINC001169718255 811641575 /nfs/dbraw/zinc/64/15/75/811641575.db2.gz JYHAHTIOSRADCY-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO C[NH+]1CCC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)CC1 ZINC001156563645 811807845 /nfs/dbraw/zinc/80/78/45/811807845.db2.gz DDBQFOHXXVXHJU-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318660 812385771 /nfs/dbraw/zinc/38/57/71/812385771.db2.gz QZVPXKAKZSGHRL-RYUDHWBXSA-N 1 0 295.383 2.061 20 5 CEBDRO COc1ccc(C[C@H](C)N2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353422 812392324 /nfs/dbraw/zinc/39/23/24/812392324.db2.gz XZQRHFZVRWQXKW-LEWSCRJBSA-N 1 0 292.335 2.008 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001158000694 812588430 /nfs/dbraw/zinc/58/84/30/812588430.db2.gz SXODLGOXZGUIKT-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO [NH3+]Cc1ccn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897590 815539505 /nfs/dbraw/zinc/53/95/05/815539505.db2.gz AQDZZFSEIGXHPZ-CQSZACIVSA-N 1 0 286.335 2.370 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCC1)CC2 ZINC001172899522 815539550 /nfs/dbraw/zinc/53/95/50/815539550.db2.gz CJVBDUJZIBTWKG-HNNXBMFYSA-N 1 0 289.379 2.138 20 5 CEBDRO NC(=[NH2+])c1nccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901889 815539673 /nfs/dbraw/zinc/53/96/73/815539673.db2.gz RACODOVDFPZRCA-GFCCVEGCSA-N 1 0 299.334 2.195 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)C1CC1)CC2 ZINC001172904653 815540786 /nfs/dbraw/zinc/54/07/86/815540786.db2.gz ZCLLPPGRPZPZEL-ZBFHGGJFSA-N 1 0 290.363 2.203 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895574 815542541 /nfs/dbraw/zinc/54/25/41/815542541.db2.gz FURVPPLLWCLGRD-ZIAGYGMSSA-N 1 0 278.352 2.203 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896003 815542596 /nfs/dbraw/zinc/54/25/96/815542596.db2.gz KNSHAULZDAVWOE-ZBFHGGJFSA-N 1 0 292.379 2.449 20 5 CEBDRO C[NH+]1CC(CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001159222185 813303905 /nfs/dbraw/zinc/30/39/05/813303905.db2.gz JXPKOZWDZMZLMR-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO C[C@H]1COCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170816439 813441052 /nfs/dbraw/zinc/44/10/52/813441052.db2.gz BXEKTKQLWGUTPP-JOYOIKCWSA-N 1 0 277.324 2.035 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170890051 813618862 /nfs/dbraw/zinc/61/88/62/813618862.db2.gz RMOMWHGHMQSXBE-SNVBAGLBSA-N 1 0 287.323 2.201 20 5 CEBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000689625060 813988907 /nfs/dbraw/zinc/98/89/07/813988907.db2.gz JFFQDOREJYWNRL-VXGBXAGGSA-N 1 0 286.278 2.263 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000689625057 813989621 /nfs/dbraw/zinc/98/96/21/813989621.db2.gz JFFQDOREJYWNRL-NEPJUHHUSA-N 1 0 286.278 2.263 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCC[NH2+]C1 ZINC000697089936 814645291 /nfs/dbraw/zinc/64/52/91/814645291.db2.gz ZLAYJAJUPSPSOO-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712597354 814756335 /nfs/dbraw/zinc/75/63/35/814756335.db2.gz XHCSMEDFPDKERB-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001116037566 814765447 /nfs/dbraw/zinc/76/54/47/814765447.db2.gz TZAGMMLGRLJSHZ-ZJUUUORDSA-N 1 0 297.380 2.259 20 5 CEBDRO CCOC(=O)CC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714045235 814884248 /nfs/dbraw/zinc/88/42/48/814884248.db2.gz LDAXXWMYLXQHFE-UHFFFAOYSA-N 1 0 280.324 2.288 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC001117264125 814911705 /nfs/dbraw/zinc/91/17/05/814911705.db2.gz XELSYMDDKPMCGB-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(COC2)C1 ZINC001173215891 815623717 /nfs/dbraw/zinc/62/37/17/815623717.db2.gz FTCNUZVHOXUMCZ-NSHDSACASA-N 1 0 276.336 2.294 20 5 CEBDRO CC(=O)NCCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222190 815627937 /nfs/dbraw/zinc/62/79/37/815627937.db2.gz UZZHYXDGPRILLF-GFCCVEGCSA-N 1 0 293.367 2.032 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1OCCO1 ZINC001173231285 815633193 /nfs/dbraw/zinc/63/31/93/815633193.db2.gz AUIFSEWFWXWKPJ-GFCCVEGCSA-N 1 0 294.351 2.221 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001173235470 815634290 /nfs/dbraw/zinc/63/42/90/815634290.db2.gz XNMLZHOPJRGCSS-IVMMDQJWSA-N 1 0 289.379 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001173235472 815634446 /nfs/dbraw/zinc/63/44/46/815634446.db2.gz XQKJPIHDYGMLTN-NOXHYTERSA-N 1 0 290.363 2.493 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccn1 ZINC001173209813 815635122 /nfs/dbraw/zinc/63/51/22/815635122.db2.gz GIKREFVVOYRVRB-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccco1 ZINC001173212073 815635578 /nfs/dbraw/zinc/63/55/78/815635578.db2.gz WMSIKZMILZRUQZ-RISCZKNCSA-N 1 0 290.319 2.442 20 5 CEBDRO C[C@@H](OCCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001206286701 816486134 /nfs/dbraw/zinc/48/61/34/816486134.db2.gz NHTNMFGJINUJAK-SNVBAGLBSA-N 1 0 296.323 2.353 20 5 CEBDRO C[C@H]([NH2+]Cc1cnc2cnccn12)c1ccc([N+](=O)[O-])cc1 ZINC001179579940 816885303 /nfs/dbraw/zinc/88/53/03/816885303.db2.gz YCNBSPYLIXAKTB-NSHDSACASA-N 1 0 297.318 2.488 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601292118 346813986 /nfs/dbraw/zinc/81/39/86/346813986.db2.gz SEGWFVYHJWLQFA-WZRBSPASSA-N 1 0 294.351 2.415 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601304510 346816287 /nfs/dbraw/zinc/81/62/87/346816287.db2.gz QVFANHAOEIONOL-RRFJBIMHSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000121385323 365561534 /nfs/dbraw/zinc/56/15/34/365561534.db2.gz FCHYGSGSIWTJKB-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000127727731 187329011 /nfs/dbraw/zinc/32/90/11/187329011.db2.gz CDKDMLRDIUTCJG-CQSZACIVSA-N 1 0 293.367 2.349 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000127738812 187329939 /nfs/dbraw/zinc/32/99/39/187329939.db2.gz ALLINCLONFXRQD-CYBMUJFWSA-N 1 0 293.367 2.349 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000601333109 346822881 /nfs/dbraw/zinc/82/28/81/346822881.db2.gz AITRMUCJPGKFPA-VXGBXAGGSA-N 1 0 281.381 2.230 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449179600 282133044 /nfs/dbraw/zinc/13/30/44/282133044.db2.gz WSLDECOJMYJBAA-NEPJUHHUSA-N 1 0 266.341 2.134 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334740 346823608 /nfs/dbraw/zinc/82/36/08/346823608.db2.gz NBRPHVRFBAYZCO-GXTWGEPZSA-N 1 0 275.352 2.169 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273090730 192040044 /nfs/dbraw/zinc/04/00/44/192040044.db2.gz NVOZMVSJNLECQX-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1c(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334277 346823767 /nfs/dbraw/zinc/82/37/67/346823767.db2.gz JYSKXWOZIAZDGD-CZUORRHYSA-N 1 0 289.379 2.477 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190703 282136601 /nfs/dbraw/zinc/13/66/01/282136601.db2.gz NNGZCIGRXDTLGW-AAEUAGOBSA-N 1 0 298.408 2.229 20 5 CEBDRO Cc1nn(C)c(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000036749261 361853363 /nfs/dbraw/zinc/85/33/63/361853363.db2.gz MCJAGYUFPAZGGT-LLVKDONJSA-N 1 0 295.387 2.313 20 5 CEBDRO C[C@H]([NH2+]C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036319357 361841135 /nfs/dbraw/zinc/84/11/35/361841135.db2.gz REUKJLRDFTWKII-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996318 361879879 /nfs/dbraw/zinc/87/98/79/361879879.db2.gz STYRGFOZNTZSDC-LSDHHAIUSA-N 1 0 275.352 2.311 20 5 CEBDRO CC[C@@](C)(CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220412 282146588 /nfs/dbraw/zinc/14/65/88/282146588.db2.gz QBAOOVBEJIRXLU-FZMZJTMJSA-N 1 0 266.341 2.276 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000125594903 187192442 /nfs/dbraw/zinc/19/24/42/187192442.db2.gz VAEFEDYREJPVIC-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000449276142 282167834 /nfs/dbraw/zinc/16/78/34/282167834.db2.gz AYRHJRTYDUKTGP-DYEKYZERSA-N 1 0 278.352 2.276 20 5 CEBDRO CC[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125746629 187198575 /nfs/dbraw/zinc/19/85/75/187198575.db2.gz GQFRSSOVINICPB-GFCCVEGCSA-N 1 0 291.351 2.290 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080606004 344016157 /nfs/dbraw/zinc/01/61/57/344016157.db2.gz VNGQXVSYZRQAGL-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000032663128 343414822 /nfs/dbraw/zinc/41/48/22/343414822.db2.gz WRKHHMYLBNIIOO-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449500385 282259663 /nfs/dbraw/zinc/25/96/63/282259663.db2.gz DHOROJHVONHKSZ-CVEARBPZSA-N 1 0 290.363 2.482 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006001 343433108 /nfs/dbraw/zinc/43/31/08/343433108.db2.gz GEFKKMFQIYWIEV-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497097 282258642 /nfs/dbraw/zinc/25/86/42/282258642.db2.gz KEARXLUWKPBNHQ-HZMBPMFUSA-N 1 0 280.324 2.157 20 5 CEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000044025145 343467755 /nfs/dbraw/zinc/46/77/55/343467755.db2.gz PWUJBHGWAROTJL-UHFFFAOYSA-N 1 0 295.339 2.133 20 5 CEBDRO CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051121419 343548009 /nfs/dbraw/zinc/54/80/09/343548009.db2.gz NGEPWHVAEUCHBW-UHFFFAOYSA-N 1 0 263.341 2.041 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415754884 529730591 /nfs/dbraw/zinc/73/05/91/529730591.db2.gz CEASQHMQQNNVAQ-UHFFFAOYSA-N 1 0 292.339 2.031 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972622 346947054 /nfs/dbraw/zinc/94/70/54/346947054.db2.gz HNXIDOXXNPPFIR-SDDRHHMPSA-N 1 0 262.309 2.234 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CCCCCC1 ZINC000273165992 192063530 /nfs/dbraw/zinc/06/35/30/192063530.db2.gz LKIANEHJSFHPKK-UHFFFAOYSA-N 1 0 293.371 2.451 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(CO)CC1 ZINC000449580910 282291279 /nfs/dbraw/zinc/29/12/79/282291279.db2.gz VLJAIGYIOMWXKH-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000060567965 343660661 /nfs/dbraw/zinc/66/06/61/343660661.db2.gz MWTGLIIVQSKJQP-VHSXEESVSA-N 1 0 295.364 2.013 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000063835923 343684474 /nfs/dbraw/zinc/68/44/74/343684474.db2.gz XYKPVPFQXHGMHA-JTQLQIEISA-N 1 0 297.380 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602027885 346964221 /nfs/dbraw/zinc/96/42/21/346964221.db2.gz WYDRFKVKNCWPEK-NSHDSACASA-N 1 0 277.324 2.184 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H](OC)C(C)C)c([N+](=O)[O-])cc1O ZINC000072924803 343815501 /nfs/dbraw/zinc/81/55/01/343815501.db2.gz IZPPTPMPSDQBBG-CQSZACIVSA-N 1 0 298.339 2.070 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000602170367 346986697 /nfs/dbraw/zinc/98/66/97/346986697.db2.gz JGENKBNJMCGMIS-NXEZZACHSA-N 1 0 297.380 2.115 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078563451 343957094 /nfs/dbraw/zinc/95/70/94/343957094.db2.gz WLHMSUOSVRQXHJ-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000078563049 343957155 /nfs/dbraw/zinc/95/71/55/343957155.db2.gz UNITZBGZAZEVDE-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CCCC[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078662842 343960511 /nfs/dbraw/zinc/96/05/11/343960511.db2.gz DZGVVHGLPUHSSK-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](C)O ZINC000083171019 344075438 /nfs/dbraw/zinc/07/54/38/344075438.db2.gz HZMLYLWVUHXCIQ-JTQLQIEISA-N 1 0 293.323 2.327 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205348 187289428 /nfs/dbraw/zinc/28/94/28/187289428.db2.gz AWTWRFCFWFDKIH-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO CCc1nn(C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000125595513 344319823 /nfs/dbraw/zinc/31/98/23/344319823.db2.gz OARJFAUQDBUSKP-UHFFFAOYSA-N 1 0 288.351 2.489 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451724 344336807 /nfs/dbraw/zinc/33/68/07/344336807.db2.gz GIMIIEFIDHRQQX-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122628871 344307557 /nfs/dbraw/zinc/30/75/57/344307557.db2.gz KQILWYNNXYKCKT-GWCFXTLKSA-N 1 0 292.339 2.186 20 5 CEBDRO CCCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602475668 347049965 /nfs/dbraw/zinc/04/99/65/347049965.db2.gz QINLMUVETXDYMJ-CYBMUJFWSA-N 1 0 296.371 2.109 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000157055788 344444945 /nfs/dbraw/zinc/44/49/45/344444945.db2.gz AELQICKNUBKMJQ-CYBMUJFWSA-N 1 0 264.325 2.332 20 5 CEBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000162780784 344468706 /nfs/dbraw/zinc/46/87/06/344468706.db2.gz CJQGZRJGKXKGDI-QWHCGFSZSA-N 1 0 294.351 2.378 20 5 CEBDRO CCC[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230707772 344573268 /nfs/dbraw/zinc/57/32/68/344573268.db2.gz QMHRVOGCHLKZMB-AWEZNQCLSA-N 1 0 266.341 2.278 20 5 CEBDRO Cc1cnc(CNCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000231653285 344575312 /nfs/dbraw/zinc/57/53/12/344575312.db2.gz MPANEFGNKKYQHM-UHFFFAOYSA-N 1 0 277.280 2.060 20 5 CEBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484402 347055480 /nfs/dbraw/zinc/05/54/80/347055480.db2.gz OOMWDWFASNHTBO-RYUDHWBXSA-N 1 0 298.412 2.434 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000237518434 344602533 /nfs/dbraw/zinc/60/25/33/344602533.db2.gz XYEVHZPCPXTBPA-LLVKDONJSA-N 1 0 291.351 2.352 20 5 CEBDRO Cc1ccc(C[NH2+]C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000053045315 362478795 /nfs/dbraw/zinc/47/87/95/362478795.db2.gz PSAPMLQRNNXPPJ-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602515988 347063882 /nfs/dbraw/zinc/06/38/82/347063882.db2.gz FSFYKAXZFJIAAV-DGCLKSJQSA-N 1 0 291.351 2.132 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000322521907 344753284 /nfs/dbraw/zinc/75/32/84/344753284.db2.gz WIFQPLGASFALIV-XYPYZODXSA-N 1 0 297.742 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000602565963 347081110 /nfs/dbraw/zinc/08/11/10/347081110.db2.gz CCHPBEQQYMOYBT-ZDUSSCGKSA-N 1 0 286.335 2.008 20 5 CEBDRO CC[C@@H](C)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568926 347081918 /nfs/dbraw/zinc/08/19/18/347081918.db2.gz ZLHCZHWTKTXCDR-RISCZKNCSA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@](C[NH3+])(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000127274959 187293531 /nfs/dbraw/zinc/29/35/31/187293531.db2.gz WWUFWSHFEZBONG-CYBMUJFWSA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCC[NH+]1CCCCC1 ZINC000401164085 344867165 /nfs/dbraw/zinc/86/71/65/344867165.db2.gz NJZAJXNZFKPRCT-UHFFFAOYSA-N 1 0 268.292 2.027 20 5 CEBDRO C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000401196898 344867349 /nfs/dbraw/zinc/86/73/49/344867349.db2.gz APPMLFOPLQIVGJ-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401166139 344867356 /nfs/dbraw/zinc/86/73/56/344867356.db2.gz ORIAWFJTZMYLMG-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000407303492 344886004 /nfs/dbraw/zinc/88/60/04/344886004.db2.gz CFUMVXYCGFAQDC-CHWSQXEVSA-N 1 0 289.335 2.372 20 5 CEBDRO Cc1cn[nH]c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589319792 345077418 /nfs/dbraw/zinc/07/74/18/345077418.db2.gz XEISCTVTFGPXOF-UHFFFAOYSA-N 1 0 299.334 2.440 20 5 CEBDRO CC[C@@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000127359800 187299871 /nfs/dbraw/zinc/29/98/71/187299871.db2.gz PFEAREXUJYRNGZ-LLVKDONJSA-N 1 0 272.732 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cn[nH]c3)c2c1 ZINC000588933666 345061226 /nfs/dbraw/zinc/06/12/26/345061226.db2.gz VTBRTRMAUHVMET-UHFFFAOYSA-N 1 0 285.307 2.132 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590053011 345111304 /nfs/dbraw/zinc/11/13/04/345111304.db2.gz SBASYWMVHFPIMG-UKRRQHHQSA-N 1 0 275.352 2.039 20 5 CEBDRO CCc1cc(NCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000590689791 345160890 /nfs/dbraw/zinc/16/08/90/345160890.db2.gz FJXYUUDFCBZFEQ-UHFFFAOYSA-N 1 0 287.319 2.465 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000590752778 345174398 /nfs/dbraw/zinc/17/43/98/345174398.db2.gz YRVBAOLKVCSCQV-SKDRFNHKSA-N 1 0 296.298 2.165 20 5 CEBDRO C[C@@H](CO)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757632 345174722 /nfs/dbraw/zinc/17/47/22/345174722.db2.gz WIQLEMOXBVMGRH-OCCSQVGLSA-N 1 0 278.352 2.403 20 5 CEBDRO C[C@H](CO)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757631 345174842 /nfs/dbraw/zinc/17/48/42/345174842.db2.gz WIQLEMOXBVMGRH-JSGCOSHPSA-N 1 0 278.352 2.403 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCCC[NH2+]1 ZINC000591275626 345236891 /nfs/dbraw/zinc/23/68/91/345236891.db2.gz LGXGRHIAOSHVPB-VSKVDJIOSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439432 345254628 /nfs/dbraw/zinc/25/46/28/345254628.db2.gz UTROEDDWTUXDBT-MWLCHTKSSA-N 1 0 281.743 2.436 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591439282 345254832 /nfs/dbraw/zinc/25/48/32/345254832.db2.gz SLFKBLXMDPILPG-NEPJUHHUSA-N 1 0 261.325 2.091 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000591473609 345260166 /nfs/dbraw/zinc/26/01/66/345260166.db2.gz IZLABVSGZHLTKR-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C=CCCC2)c1 ZINC000591752093 345277054 /nfs/dbraw/zinc/27/70/54/345277054.db2.gz UNBZJBPUABSIEK-OCCSQVGLSA-N 1 0 292.335 2.033 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591767162 345279029 /nfs/dbraw/zinc/27/90/29/345279029.db2.gz OZELFNHTZREBOD-QWRGUYRKSA-N 1 0 295.314 2.404 20 5 CEBDRO CC(C)([NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592228082 345339743 /nfs/dbraw/zinc/33/97/43/345339743.db2.gz HZOVCHJKDVYXBM-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000592290277 345341868 /nfs/dbraw/zinc/34/18/68/345341868.db2.gz BQYNXZISUBQNLK-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000592393336 345349584 /nfs/dbraw/zinc/34/95/84/345349584.db2.gz GMUBQEJXKBMGJT-NSHDSACASA-N 1 0 289.339 2.007 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593188226 345451241 /nfs/dbraw/zinc/45/12/41/345451241.db2.gz ZALQNFVSFXXXKM-UTUOFQBUSA-N 1 0 291.351 2.148 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CCF ZINC000593685096 345520740 /nfs/dbraw/zinc/52/07/40/345520740.db2.gz FFYGJNQTJOSMIK-SVTZGKHISA-N 1 0 282.315 2.308 20 5 CEBDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722808 345527704 /nfs/dbraw/zinc/52/77/04/345527704.db2.gz ZAYXZMVFEFBBNY-IUODEOHRSA-N 1 0 294.351 2.177 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000593902964 345550821 /nfs/dbraw/zinc/55/08/21/345550821.db2.gz MEOFEIYLCKSOMV-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427429 345626445 /nfs/dbraw/zinc/62/64/45/345626445.db2.gz UJVFGWYVTZAWAH-SWLSCSKDSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCOC1 ZINC000594502060 345639285 /nfs/dbraw/zinc/63/92/85/345639285.db2.gz CJSOCLMQWWBXMA-GWCFXTLKSA-N 1 0 262.309 2.208 20 5 CEBDRO [NH3+]C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594583437 345651497 /nfs/dbraw/zinc/65/14/97/345651497.db2.gz MMXMKKCPHDGQSK-USEMIUTHSA-N 1 0 289.257 2.087 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594592287 345653824 /nfs/dbraw/zinc/65/38/24/345653824.db2.gz PDEWMZWFFUDVIZ-PHIMTYICSA-N 1 0 279.340 2.356 20 5 CEBDRO Cc1ccc(CN(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000594736532 345682255 /nfs/dbraw/zinc/68/22/55/345682255.db2.gz RAXWIXJXKHUWJJ-UHFFFAOYSA-N 1 0 251.330 2.072 20 5 CEBDRO CC[C@@H]([NH2+]C/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595070765 345739635 /nfs/dbraw/zinc/73/96/35/345739635.db2.gz NJUUCQXLIKPBJI-DHCBQETCSA-N 1 0 250.298 2.184 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595089864 345740947 /nfs/dbraw/zinc/74/09/47/345740947.db2.gz PVBNKSQUAOPDFR-AEGPPILISA-N 1 0 288.347 2.475 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103941 345742689 /nfs/dbraw/zinc/74/26/89/345742689.db2.gz PGOJRBYVJFWTHE-RAIGVLPGSA-N 1 0 250.298 2.159 20 5 CEBDRO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000594920780 345702078 /nfs/dbraw/zinc/70/20/78/345702078.db2.gz AJGAEJFQOURYFX-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594921729 345702631 /nfs/dbraw/zinc/70/26/31/345702631.db2.gz RZTSZQGSROUXPE-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594968959 345719734 /nfs/dbraw/zinc/71/97/34/345719734.db2.gz XZMRPGDFKVMDDW-IZDJOXEWSA-N 1 0 296.392 2.374 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006931 345725403 /nfs/dbraw/zinc/72/54/03/345725403.db2.gz MXSWBEDTMFFOFT-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000595018084 345727916 /nfs/dbraw/zinc/72/79/16/345727916.db2.gz PTZNTINSAQKYJU-MNOVXSKESA-N 1 0 280.324 2.291 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039657 345732902 /nfs/dbraw/zinc/73/29/02/345732902.db2.gz UVFJZUGWBFJZHN-KOLCDFICSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@@H](C)O ZINC000595044933 345734114 /nfs/dbraw/zinc/73/41/14/345734114.db2.gz ALSOEMNLWKOBLK-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO COC[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000595059908 345736760 /nfs/dbraw/zinc/73/67/60/345736760.db2.gz ILUGFAIONVDNJS-RISCZKNCSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595553604 345811673 /nfs/dbraw/zinc/81/16/73/345811673.db2.gz ZIIZXBGHWMHURF-XKSSXDPKSA-N 1 0 253.302 2.368 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595340856 345764860 /nfs/dbraw/zinc/76/48/60/345764860.db2.gz YBLOGDZYJBRCHC-JTQLQIEISA-N 1 0 253.302 2.369 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487016 345794060 /nfs/dbraw/zinc/79/40/60/345794060.db2.gz BUPGHZJPWGZSMR-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000595633060 345833121 /nfs/dbraw/zinc/83/31/21/345833121.db2.gz KKEFVGBBXUSXLP-VNHYZAJKSA-N 1 0 276.336 2.188 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595633641 345833231 /nfs/dbraw/zinc/83/32/31/345833231.db2.gz RHUTXIAFWBIFPU-GRYCIOLGSA-N 1 0 294.326 2.327 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634161 345833803 /nfs/dbraw/zinc/83/38/03/345833803.db2.gz CNKSZDFXWCTQEM-SCDSUCTJSA-N 1 0 294.326 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595828423 345887540 /nfs/dbraw/zinc/88/75/40/345887540.db2.gz DSDULSNQQOUVNU-KGLIPLIRSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(COC2)C1 ZINC000595835687 345892479 /nfs/dbraw/zinc/89/24/79/345892479.db2.gz VWOODUBBKQJSJM-NSHDSACASA-N 1 0 262.309 2.378 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595837660 345893213 /nfs/dbraw/zinc/89/32/13/345893213.db2.gz QFQLRPHJTHONLM-CYBMUJFWSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000595838263 345893677 /nfs/dbraw/zinc/89/36/77/345893677.db2.gz UJGVQCZVIQDTEF-ZDUSSCGKSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750155 345865770 /nfs/dbraw/zinc/86/57/70/345865770.db2.gz PICNAMYPJGELME-GHMZBOCLSA-N 1 0 278.352 2.352 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750156 345865895 /nfs/dbraw/zinc/86/58/95/345865895.db2.gz PICNAMYPJGELME-HBYGRHMLSA-N 1 0 278.352 2.352 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757459 345868486 /nfs/dbraw/zinc/86/84/86/345868486.db2.gz JLVXYLFQFWFNJD-TZMCWYRMSA-N 1 0 262.309 2.063 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757996 345869614 /nfs/dbraw/zinc/86/96/14/345869614.db2.gz LSHBRTNVSHLSGF-IUODEOHRSA-N 1 0 292.335 2.072 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808973 345880913 /nfs/dbraw/zinc/88/09/13/345880913.db2.gz PXEZTOJNCJRQCC-GHMZBOCLSA-N 1 0 262.309 2.445 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595872647 345903318 /nfs/dbraw/zinc/90/33/18/345903318.db2.gz KIXYMAZKDPLJLY-RISCZKNCSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595908756 345911420 /nfs/dbraw/zinc/91/14/20/345911420.db2.gz PXVZPTJEQGEBER-KWQFWETISA-N 1 0 291.273 2.477 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595926883 345914472 /nfs/dbraw/zinc/91/44/72/345914472.db2.gz KYLSQJXDCCFXMO-GWCFXTLKSA-N 1 0 291.351 2.160 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000595943246 345916666 /nfs/dbraw/zinc/91/66/66/345916666.db2.gz IBHVFBPHDMHJRL-UHFFFAOYSA-N 1 0 291.307 2.150 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956493 345917371 /nfs/dbraw/zinc/91/73/71/345917371.db2.gz JGGIBAFQIWPWNQ-AWEZNQCLSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596105899 345940989 /nfs/dbraw/zinc/94/09/89/345940989.db2.gz QNCRGHNWQMYNJQ-JTQLQIEISA-N 1 0 269.370 2.495 20 5 CEBDRO CC[NH+]1CCC(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596140387 345949937 /nfs/dbraw/zinc/94/99/37/345949937.db2.gz HKLGGLLKJOEJRN-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC12CCC[NH+]1CCC2 ZINC000596216015 345971818 /nfs/dbraw/zinc/97/18/18/345971818.db2.gz GNVAQRIZMYTKKA-UHFFFAOYSA-N 1 0 296.758 2.105 20 5 CEBDRO Cc1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307414 345995071 /nfs/dbraw/zinc/99/50/71/345995071.db2.gz MUNKMRALLCSDAC-GFCCVEGCSA-N 1 0 292.383 2.252 20 5 CEBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000596569616 346057697 /nfs/dbraw/zinc/05/76/97/346057697.db2.gz YTBVLLDJYJNGCO-LLVKDONJSA-N 1 0 299.396 2.203 20 5 CEBDRO Cc1nn(C)c(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596486900 346036140 /nfs/dbraw/zinc/03/61/40/346036140.db2.gz BKNFPKSCKFGHPB-NSHDSACASA-N 1 0 295.387 2.169 20 5 CEBDRO COCCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597184005 346143316 /nfs/dbraw/zinc/14/33/16/346143316.db2.gz QDPTYUPDPLJVOY-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597219170 346151965 /nfs/dbraw/zinc/15/19/65/346151965.db2.gz ZVWXAZJHFXDODF-RWBPYIHSSA-N 1 0 290.319 2.149 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000597236176 346157245 /nfs/dbraw/zinc/15/72/45/346157245.db2.gz PCZROVKOVUVQNR-DOMZBBRYSA-N 1 0 278.352 2.354 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142081 199369031 /nfs/dbraw/zinc/36/90/31/199369031.db2.gz QAVVIBSJNBYWDY-LBPRGKRZSA-N 1 0 252.314 2.106 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142079 199369562 /nfs/dbraw/zinc/36/95/62/199369562.db2.gz QAVVIBSJNBYWDY-GFCCVEGCSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598647697 346392211 /nfs/dbraw/zinc/39/22/11/346392211.db2.gz CTJBDWCXZZRSLA-TZMCWYRMSA-N 1 0 278.352 2.088 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599015509 346446235 /nfs/dbraw/zinc/44/62/35/346446235.db2.gz GYFKJPKZUDHYSQ-WVSHTKLVSA-N 1 0 268.288 2.249 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598912836 346433503 /nfs/dbraw/zinc/43/35/03/346433503.db2.gz BIENTBUIHXCYKR-LLVKDONJSA-N 1 0 298.318 2.229 20 5 CEBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000598916010 346433945 /nfs/dbraw/zinc/43/39/45/346433945.db2.gz SROFOEFROVFYFJ-UHFFFAOYSA-N 1 0 296.302 2.127 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000598938664 346434938 /nfs/dbraw/zinc/43/49/38/346434938.db2.gz FOHVBWMPQCOJMZ-HWKANZROSA-N 1 0 284.319 2.389 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3[nH+]ccc(N)c3C2)n1 ZINC000598944216 346436018 /nfs/dbraw/zinc/43/60/18/346436018.db2.gz ZUZCRLUXIWHBMN-UHFFFAOYSA-N 1 0 299.334 2.147 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598988383 346442604 /nfs/dbraw/zinc/44/26/04/346442604.db2.gz QWKDARHJQJXHPS-GFCCVEGCSA-N 1 0 299.321 2.414 20 5 CEBDRO C/C=C\C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599080616 346457307 /nfs/dbraw/zinc/45/73/07/346457307.db2.gz IAHVLXZMCLGQQN-DLRQAJBASA-N 1 0 277.324 2.478 20 5 CEBDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599090999 346458566 /nfs/dbraw/zinc/45/85/66/346458566.db2.gz VODKCBPWIJYLJI-JTQLQIEISA-N 1 0 287.310 2.442 20 5 CEBDRO Cc1ccnc(NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599141147 346466489 /nfs/dbraw/zinc/46/64/89/346466489.db2.gz ZSZKBOCRNUZYMG-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196046 362758600 /nfs/dbraw/zinc/75/86/00/362758600.db2.gz RNBKJXCZQJFALA-WFASDCNBSA-N 1 0 277.368 2.339 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CCCF)CC2)cc1 ZINC000599666671 346558470 /nfs/dbraw/zinc/55/84/70/346558470.db2.gz AVDBDDZYXYEZFV-UHFFFAOYSA-N 1 0 295.358 2.115 20 5 CEBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000599670888 346559168 /nfs/dbraw/zinc/55/91/68/346559168.db2.gz KYZJFLKZFOHXFI-AAEUAGOBSA-N 1 0 264.329 2.056 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000600682541 346672451 /nfs/dbraw/zinc/67/24/51/346672451.db2.gz PGMDGDXECKLAAB-BPLDGKMQSA-N 1 0 289.379 2.258 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120329 346759284 /nfs/dbraw/zinc/75/92/84/346759284.db2.gz JXZBTPFLJJPQMK-LLVKDONJSA-N 1 0 296.346 2.297 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452601 187371538 /nfs/dbraw/zinc/37/15/38/187371538.db2.gz ICLRQNOZNREBSR-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC000601153463 346771414 /nfs/dbraw/zinc/77/14/14/346771414.db2.gz OIVLIIFWXIYLFW-KCJUWKMLSA-N 1 0 292.257 2.305 20 5 CEBDRO C[C@@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000601168443 346775575 /nfs/dbraw/zinc/77/55/75/346775575.db2.gz XDQXYRYRLBSDBR-NSHDSACASA-N 1 0 288.351 2.175 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000601188488 346781297 /nfs/dbraw/zinc/78/12/97/346781297.db2.gz HLUCPNXUSBLJIN-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1nccnc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602677971 347139695 /nfs/dbraw/zinc/13/96/95/347139695.db2.gz YRLNBWIROMHIJC-UHFFFAOYSA-N 1 0 286.335 2.068 20 5 CEBDRO COCC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000101597563 185748997 /nfs/dbraw/zinc/74/89/97/185748997.db2.gz IYOKSIAMJSEVNW-NSHDSACASA-N 1 0 252.314 2.418 20 5 CEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809349 347208408 /nfs/dbraw/zinc/20/84/08/347208408.db2.gz BGQNDWRKKLHDLW-JQWIXIFHSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602809317 347208507 /nfs/dbraw/zinc/20/85/07/347208507.db2.gz ATCIQBCTDUTDSN-SCVCMEIPSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000602833303 347217468 /nfs/dbraw/zinc/21/74/68/347217468.db2.gz NPBNOINOLLFALZ-VIFPVBQESA-N 1 0 288.298 2.077 20 5 CEBDRO C[C@](CO)([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000602963536 347258345 /nfs/dbraw/zinc/25/83/45/347258345.db2.gz XQVUCIHFQXIDQM-OAHLLOKOSA-N 1 0 276.336 2.358 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000603399976 347359016 /nfs/dbraw/zinc/35/90/16/347359016.db2.gz GCRWTQCOCATDNW-MNOVXSKESA-N 1 0 295.387 2.260 20 5 CEBDRO CC[C@@](C)([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186564 347303315 /nfs/dbraw/zinc/30/33/15/347303315.db2.gz SLOXJVWTBRNJRQ-QMTHXVAHSA-N 1 0 289.339 2.380 20 5 CEBDRO CC[C@@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218947 347311835 /nfs/dbraw/zinc/31/18/35/347311835.db2.gz OGJMYPVVEUEPDS-GXSJLCMTSA-N 1 0 275.312 2.205 20 5 CEBDRO C[NH2+]C(C)(C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603219896 347312376 /nfs/dbraw/zinc/31/23/76/347312376.db2.gz RGRJZIQNWGUJRK-SNVBAGLBSA-N 1 0 289.339 2.250 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1(C)C ZINC000603408021 347362252 /nfs/dbraw/zinc/36/22/52/347362252.db2.gz VWVPVLKXEFIAHB-WDEREUQCSA-N 1 0 282.319 2.270 20 5 CEBDRO Cc1cc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000603419375 347365688 /nfs/dbraw/zinc/36/56/88/347365688.db2.gz NBFBALPXYUOKDW-MRVPVSSYSA-N 1 0 273.383 2.082 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)c(Cl)c1 ZINC000603419320 347365878 /nfs/dbraw/zinc/36/58/78/347365878.db2.gz LPHKZTFCXYIZEI-QMMMGPOBSA-N 1 0 287.772 2.365 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604540500 347420953 /nfs/dbraw/zinc/42/09/53/347420953.db2.gz NIUXRACZWXQGQT-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000308645784 232694661 /nfs/dbraw/zinc/69/46/61/232694661.db2.gz BUCFGYYYTKOLRH-UHFFFAOYSA-N 1 0 277.328 2.223 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000065748123 362845199 /nfs/dbraw/zinc/84/51/99/362845199.db2.gz BLYIETDHPXAQHR-UHFFFAOYSA-N 1 0 279.340 2.492 20 5 in-vitro CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC(C)(C)C ZINC000609317095 347634073 /nfs/dbraw/zinc/63/40/73/347634073.db2.gz KIQNPYGBKZDNJU-UHFFFAOYSA-N 1 0 296.367 2.444 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610112001 347660496 /nfs/dbraw/zinc/66/04/96/347660496.db2.gz PWMPVYMZRUOJSZ-UHFFFAOYSA-N 1 0 285.369 2.070 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000610512625 347687965 /nfs/dbraw/zinc/68/79/65/347687965.db2.gz ZXQQGPAKCFOXPK-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO CC(C)CN1CCO[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610514348 347688125 /nfs/dbraw/zinc/68/81/25/347688125.db2.gz HLJLIKMRZQPIAZ-LLVKDONJSA-N 1 0 299.396 2.425 20 5 CEBDRO C[NH+](C)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611290014 347763384 /nfs/dbraw/zinc/76/33/84/347763384.db2.gz RLEUROJPXAJWRB-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611297254 347764016 /nfs/dbraw/zinc/76/40/16/347764016.db2.gz LHGOMNBYUJHMMG-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000611407614 347774705 /nfs/dbraw/zinc/77/47/05/347774705.db2.gz VOPJUHOMAPAUAM-LLVKDONJSA-N 1 0 287.319 2.144 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C1CC1 ZINC000611206786 347751102 /nfs/dbraw/zinc/75/11/02/347751102.db2.gz IFYHIGCSDROMCR-IINYFYTJSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCOCC2(CC2)C1 ZINC000611813127 347818795 /nfs/dbraw/zinc/81/87/95/347818795.db2.gz GKZKBOFSJOAMFL-UHFFFAOYSA-N 1 0 292.335 2.216 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086683367 179320132 /nfs/dbraw/zinc/32/01/32/179320132.db2.gz LUDPLHBVPSEMHQ-CYBMUJFWSA-N 1 0 252.314 2.355 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000103958598 185868481 /nfs/dbraw/zinc/86/84/81/185868481.db2.gz WWFDUDOAXQSVOK-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614419969 348197395 /nfs/dbraw/zinc/19/73/95/348197395.db2.gz KBJPILPUZAADDN-NEPJUHHUSA-N 1 0 287.323 2.194 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000351937670 219255505 /nfs/dbraw/zinc/25/55/05/219255505.db2.gz UWQCHIFUCAAXPN-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000351943330 219257055 /nfs/dbraw/zinc/25/70/55/219257055.db2.gz GBPPCIBVZZVIGU-OLZOCXBDSA-N 1 0 277.368 2.162 20 5 CEBDRO COC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832920 362889173 /nfs/dbraw/zinc/88/91/73/362889173.db2.gz WRKWNQUBHIBKKW-CYBMUJFWSA-N 1 0 292.335 2.022 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273383047 192134626 /nfs/dbraw/zinc/13/46/26/192134626.db2.gz CGQFBTVMUVXENE-GFCCVEGCSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000273425063 192145934 /nfs/dbraw/zinc/14/59/34/192145934.db2.gz KADIHXIZWLDTFN-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000617208023 348649687 /nfs/dbraw/zinc/64/96/87/348649687.db2.gz CUENJKBKYQEKRR-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357388361 233061591 /nfs/dbraw/zinc/06/15/91/233061591.db2.gz INLBGAUYWZOBNU-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089107281 179703345 /nfs/dbraw/zinc/70/33/45/179703345.db2.gz RXAZISMPIJJPGQ-CHWSQXEVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000129045395 187407245 /nfs/dbraw/zinc/40/72/45/187407245.db2.gz OEHYUGMLSNHFFR-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271311316 191066192 /nfs/dbraw/zinc/06/61/92/191066192.db2.gz MONYUXCJOSBTMT-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1cccc(C(=O)N(C)C2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000091845585 180270485 /nfs/dbraw/zinc/27/04/85/180270485.db2.gz XNQQFLAGLPOABF-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092395328 180376968 /nfs/dbraw/zinc/37/69/68/180376968.db2.gz ZSENMPZQVUDSJH-LLVKDONJSA-N 1 0 272.732 2.355 20 5 CEBDRO COc1cc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000107039926 186155774 /nfs/dbraw/zinc/15/57/74/186155774.db2.gz TYXHDVFRLFMWBV-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130589666 365970977 /nfs/dbraw/zinc/97/09/77/365970977.db2.gz SPUPBFFHGOLPPS-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110717429 186315507 /nfs/dbraw/zinc/31/55/07/186315507.db2.gz ZUVUWJBKHMSVKM-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO CCOc1cc(NCC[N@H+](C)CC)ccc1[N+](=O)[O-] ZINC000111049906 186348320 /nfs/dbraw/zinc/34/83/20/186348320.db2.gz QZPJDMWBIIRTDQ-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048949 186347806 /nfs/dbraw/zinc/34/78/06/186347806.db2.gz SKXDZFOIRJXILH-LLVKDONJSA-N 1 0 277.324 2.252 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070075500 363027161 /nfs/dbraw/zinc/02/71/61/363027161.db2.gz BYPAAYQPHJZATG-UTUOFQBUSA-N 1 0 263.341 2.338 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074727 363027191 /nfs/dbraw/zinc/02/71/91/363027191.db2.gz LNHOHGCIBFPUSG-VXGBXAGGSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000070086557 363031715 /nfs/dbraw/zinc/03/17/15/363031715.db2.gz KSVRYFSNZRNVNF-UHFFFAOYSA-N 1 0 265.313 2.359 20 5 CEBDRO Cc1ccnc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000070496366 363091208 /nfs/dbraw/zinc/09/12/08/363091208.db2.gz BJJMVDLDXSRDFH-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000122094606 187014718 /nfs/dbraw/zinc/01/47/18/187014718.db2.gz BNOGWWKEIVLWGW-LBPRGKRZSA-N 1 0 285.369 2.150 20 5 CEBDRO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177125 187075636 /nfs/dbraw/zinc/07/56/36/187075636.db2.gz CITZOJRSOVBZHX-HUUCEWRRSA-N 1 0 294.351 2.441 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000123188051 187076196 /nfs/dbraw/zinc/07/61/96/187076196.db2.gz ZNNYSNJLPQRATG-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000124253717 187128808 /nfs/dbraw/zinc/12/88/08/187128808.db2.gz KJFQJYYAOLNONU-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000131114374 187542264 /nfs/dbraw/zinc/54/22/64/187542264.db2.gz XVFKONOSXSMCGD-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858045 363171297 /nfs/dbraw/zinc/17/12/97/363171297.db2.gz RIDYDBWRJZUIFH-AWEZNQCLSA-N 1 0 277.368 2.368 20 5 CEBDRO CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125283 198172531 /nfs/dbraw/zinc/17/25/31/198172531.db2.gz AWJMGGKTMGUJCW-DGCLKSJQSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000271588776 191228769 /nfs/dbraw/zinc/22/87/69/191228769.db2.gz SUTKMSGCTVSCPQ-MNOVXSKESA-N 1 0 252.318 2.054 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494408953 290972265 /nfs/dbraw/zinc/97/22/65/290972265.db2.gz FOQWPFOKYHEDCQ-MFBWXBCUSA-N 1 0 298.346 2.409 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292210094 198203545 /nfs/dbraw/zinc/20/35/45/198203545.db2.gz TYBGSYFYCXSBHV-HNNXBMFYSA-N 1 0 293.342 2.262 20 5 CEBDRO CCCC[N@H+](CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000271669588 191269604 /nfs/dbraw/zinc/26/96/04/191269604.db2.gz AQNJURHMOXDXCV-UHFFFAOYSA-N 1 0 296.367 2.458 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000155149561 188186773 /nfs/dbraw/zinc/18/67/73/188186773.db2.gz LRRHTBLXLVWZOD-KOLCDFICSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[NH+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000073501895 363224683 /nfs/dbraw/zinc/22/46/83/363224683.db2.gz VIKPTFHEHJRJKJ-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO C[NH2+]C(C)(C)CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271726095 191293783 /nfs/dbraw/zinc/29/37/83/191293783.db2.gz LNENWPHOMSHMSW-UHFFFAOYSA-N 1 0 283.328 2.022 20 5 CEBDRO CC[N@H+](CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133248861 366207665 /nfs/dbraw/zinc/20/76/65/366207665.db2.gz GSQCHNLKVLZOIG-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451571055 283038203 /nfs/dbraw/zinc/03/82/03/283038203.db2.gz POCKYNBOLDCGKK-BXUZGUMPSA-N 1 0 294.351 2.460 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572604 283038540 /nfs/dbraw/zinc/03/85/40/283038540.db2.gz QRAWRMLTDFROAS-CYBMUJFWSA-N 1 0 264.325 2.421 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000074765854 363386989 /nfs/dbraw/zinc/38/69/89/363386989.db2.gz PSFIUXYRMWYGNV-CHWSQXEVSA-N 1 0 292.383 2.465 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000074765851 363387254 /nfs/dbraw/zinc/38/72/54/363387254.db2.gz PSFIUXYRMWYGNV-OLZOCXBDSA-N 1 0 292.383 2.465 20 5 CEBDRO COC1(C)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271799258 191333443 /nfs/dbraw/zinc/33/34/43/191333443.db2.gz WFOHZCJGTPROER-CQSZACIVSA-N 1 0 294.351 2.129 20 5 CEBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000075948977 363498895 /nfs/dbraw/zinc/49/88/95/363498895.db2.gz QEAXDOFTNIAJJY-CQSZACIVSA-N 1 0 294.351 2.080 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134497553 366330829 /nfs/dbraw/zinc/33/08/29/366330829.db2.gz LKFBJJVURLBCJR-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO COc1cccc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134913980 366372682 /nfs/dbraw/zinc/37/26/82/366372682.db2.gz VYNNQOYAJRYOKA-UHFFFAOYSA-N 1 0 279.340 2.357 20 5 CEBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000079076678 363574366 /nfs/dbraw/zinc/57/43/66/363574366.db2.gz KOVNRFIBSDUMCV-UHFFFAOYSA-N 1 0 277.324 2.067 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000352791258 219632107 /nfs/dbraw/zinc/63/21/07/219632107.db2.gz HGFJFLDRWHLFPK-ZWNOBZJWSA-N 1 0 282.365 2.315 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000216395991 540402601 /nfs/dbraw/zinc/40/26/01/540402601.db2.gz UAIPSRUPIHFVGC-TZMCWYRMSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135469032 366443311 /nfs/dbraw/zinc/44/33/11/366443311.db2.gz FHIINLMUKPDNPJ-DCAQKATOSA-N 1 0 252.314 2.262 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469195 366443799 /nfs/dbraw/zinc/44/37/99/366443799.db2.gz RRGOZTQRBFMJRR-PWSUYJOCSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000415430256 236669986 /nfs/dbraw/zinc/66/99/86/236669986.db2.gz JGMVMOMJZOGEHD-PWSUYJOCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000415413232 236668592 /nfs/dbraw/zinc/66/85/92/236668592.db2.gz DIYMYRBNOVMIMC-PWSUYJOCSA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CC=CCC3)ccc2c1 ZINC000338713337 366484145 /nfs/dbraw/zinc/48/41/45/366484145.db2.gz QXCYLYBTAGVQDV-UHFFFAOYSA-N 1 0 298.346 2.239 20 5 CEBDRO COc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338783964 366520813 /nfs/dbraw/zinc/52/08/13/366520813.db2.gz IWPKHYOMHYJYOY-GHMZBOCLSA-N 1 0 279.340 2.132 20 5 CEBDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296452890 199897608 /nfs/dbraw/zinc/89/76/08/199897608.db2.gz MWAPZDAWPFPPFJ-GHMZBOCLSA-N 1 0 281.356 2.379 20 5 CEBDRO CC[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148518783 366582639 /nfs/dbraw/zinc/58/26/39/366582639.db2.gz NGGVLYLLLZXSMO-UHFFFAOYSA-N 1 0 258.709 2.007 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncccc1[N+](=O)[O-] ZINC000080677900 363678034 /nfs/dbraw/zinc/67/80/34/363678034.db2.gz NBLDVHPNPLDDIM-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO C[C@@H]([NH2+]CCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000151236137 366631599 /nfs/dbraw/zinc/63/15/99/366631599.db2.gz RTISLCQNHYVWHO-LLVKDONJSA-N 1 0 284.381 2.361 20 5 CEBDRO Cn1nccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494037 366655220 /nfs/dbraw/zinc/65/52/20/366655220.db2.gz DLNVJGCRQKXUII-ZDUSSCGKSA-N 1 0 272.308 2.105 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081520195 363726016 /nfs/dbraw/zinc/72/60/16/363726016.db2.gz PPJQHVNRAJKNPL-LBPRGKRZSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCOCC1 ZINC000178809573 189147721 /nfs/dbraw/zinc/14/77/21/189147721.db2.gz IUVSGIRHTSNTJO-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])cc1OC ZINC000571759360 299327397 /nfs/dbraw/zinc/32/73/97/299327397.db2.gz MQMRVBGADLCDKV-UHFFFAOYSA-N 1 0 256.327 2.056 20 5 CEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340149277 366783499 /nfs/dbraw/zinc/78/34/99/366783499.db2.gz MTKXIWHHTZBUES-CYBMUJFWSA-N 1 0 292.383 2.478 20 5 CEBDRO COCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607620 363912069 /nfs/dbraw/zinc/91/20/69/363912069.db2.gz CIDKCJXQZTYQCO-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237344677 370713893 /nfs/dbraw/zinc/71/38/93/370713893.db2.gz RIEQKILXVVNLMA-YPMHNXCESA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093985993 364244711 /nfs/dbraw/zinc/24/47/11/364244711.db2.gz NJQPISBRTPWCJV-CHWSQXEVSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093983957 364245009 /nfs/dbraw/zinc/24/50/09/364245009.db2.gz GSLIDQUULWWJIL-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094949831 364315206 /nfs/dbraw/zinc/31/52/06/364315206.db2.gz SAWJBUNBZSXIIE-VIFPVBQESA-N 1 0 258.343 2.155 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000275467493 193049571 /nfs/dbraw/zinc/04/95/71/193049571.db2.gz NOKNDXZQIDDIKO-UHFFFAOYSA-N 1 0 296.346 2.237 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303064 299357272 /nfs/dbraw/zinc/35/72/72/299357272.db2.gz XYXDWFKLAIPEIM-LJWDBELGSA-N 1 0 296.392 2.284 20 5 CEBDRO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524507 366920829 /nfs/dbraw/zinc/92/08/29/366920829.db2.gz ISLSVTCLPABRQX-YPMHNXCESA-N 1 0 289.339 2.316 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc[nH]n3)c2c1 ZINC000583522513 367061750 /nfs/dbraw/zinc/06/17/50/367061750.db2.gz KPUHPGBBERFOJJ-UHFFFAOYSA-N 1 0 285.307 2.132 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000161842524 367115659 /nfs/dbraw/zinc/11/56/59/367115659.db2.gz MZLAPPGHFBDJHG-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO C[C@H](O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161727604 367108957 /nfs/dbraw/zinc/10/89/57/367108957.db2.gz QQSUSVUPKJZBDQ-UWVGGRQHSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000341207512 367220858 /nfs/dbraw/zinc/22/08/58/367220858.db2.gz TWKZOVBKVAMQFQ-JQWIXIFHSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660330 299368498 /nfs/dbraw/zinc/36/84/98/299368498.db2.gz VNOAEMVSHWPMPI-CYZMBNFOSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638596 367357383 /nfs/dbraw/zinc/35/73/83/367357383.db2.gz NKGBYYITPMPSHO-MNOVXSKESA-N 1 0 251.330 2.196 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCO1 ZINC000342611354 367449735 /nfs/dbraw/zinc/44/97/35/367449735.db2.gz XYXYGGYBSIGEQX-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000245951215 370893359 /nfs/dbraw/zinc/89/33/59/370893359.db2.gz SPFFYSATAKRKDK-WDEREUQCSA-N 1 0 291.351 2.172 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000173454641 367912268 /nfs/dbraw/zinc/91/22/68/367912268.db2.gz GPORZQHZMATDOK-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000182644581 368574947 /nfs/dbraw/zinc/57/49/47/368574947.db2.gz ZPTSJQIATJSJAB-LLVKDONJSA-N 1 0 280.324 2.368 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000346408900 368665989 /nfs/dbraw/zinc/66/59/89/368665989.db2.gz KMRGWULJJFZFPY-JTQLQIEISA-N 1 0 296.758 2.316 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346630712 368742740 /nfs/dbraw/zinc/74/27/40/368742740.db2.gz CHGQTNILQIXGTO-XEBOPQQMSA-N 1 0 275.352 2.290 20 5 CEBDRO C[N@H+](CCn1cnc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185686799 368843918 /nfs/dbraw/zinc/84/39/18/368843918.db2.gz OGCGGVRBTIRGSS-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000185324135 368786544 /nfs/dbraw/zinc/78/65/44/368786544.db2.gz RYGOAJPBAXFBEU-CQSZACIVSA-N 1 0 266.341 2.434 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000185369175 368798762 /nfs/dbraw/zinc/79/87/62/368798762.db2.gz OJJQECJWUBCDIL-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO O=C(c1csc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186555649 368994172 /nfs/dbraw/zinc/99/41/72/368994172.db2.gz PSVSAOWERKGCMN-SNVBAGLBSA-N 1 0 295.364 2.013 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000348543026 369080422 /nfs/dbraw/zinc/08/04/22/369080422.db2.gz FCXKKBRMFLHYIR-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000348729003 369134538 /nfs/dbraw/zinc/13/45/38/369134538.db2.gz QFIJPHRRPWWWAP-UHFFFAOYSA-N 1 0 296.346 2.460 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000349793893 369403241 /nfs/dbraw/zinc/40/32/41/369403241.db2.gz YAAUKICCFFCQLO-DHCBQETCSA-N 1 0 264.325 2.320 20 5 CEBDRO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883647 369436888 /nfs/dbraw/zinc/43/68/88/369436888.db2.gz OTGQSYCVSLVQOI-STQMWFEESA-N 1 0 296.367 2.421 20 5 CEBDRO CO[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189296616 369491444 /nfs/dbraw/zinc/49/14/44/369491444.db2.gz LLRPSOPMFQNOKM-WFASDCNBSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1c(-c2noc([C@H]3CC[N@@H+](C)C3)n2)cccc1[N+](=O)[O-] ZINC000351145271 369612357 /nfs/dbraw/zinc/61/23/57/369612357.db2.gz JMQPAKUYKYPFRP-JTQLQIEISA-N 1 0 288.307 2.372 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000276586208 193389927 /nfs/dbraw/zinc/38/99/27/193389927.db2.gz CMYBVPINGUQHDV-AWEZNQCLSA-N 1 0 296.367 2.489 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000192482771 369819409 /nfs/dbraw/zinc/81/94/09/369819409.db2.gz MWLIIMDQDFEZKQ-HTQZYQBOSA-N 1 0 268.342 2.088 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCCC[C@H]1C ZINC000352987257 369970615 /nfs/dbraw/zinc/97/06/15/369970615.db2.gz LESSTJVVPYSNSB-VXGBXAGGSA-N 1 0 278.356 2.087 20 5 CEBDRO C[N@@H+]1CC[C@@H](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000352915719 369947507 /nfs/dbraw/zinc/94/75/07/369947507.db2.gz PHTBHZACMFWAEJ-GFCCVEGCSA-N 1 0 286.335 2.410 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194360481 370030119 /nfs/dbraw/zinc/03/01/19/370030119.db2.gz NPQZZQFGHRRDRX-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354005193 370174276 /nfs/dbraw/zinc/17/42/76/370174276.db2.gz FNNLRSRXMVLRLZ-NSHDSACASA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)s1 ZINC000195507397 370134710 /nfs/dbraw/zinc/13/47/10/370134710.db2.gz IIGDAVKLRXRXOJ-UHFFFAOYSA-N 1 0 268.342 2.090 20 5 CEBDRO COc1ccc(C[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000224532387 370280338 /nfs/dbraw/zinc/28/03/38/370280338.db2.gz UWEVFQYWWTUVOS-UHFFFAOYSA-N 1 0 280.324 2.120 20 5 CEBDRO CC[N@H+](CCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000227550974 370373560 /nfs/dbraw/zinc/37/35/60/370373560.db2.gz FSEUHDZOJJSEJP-UHFFFAOYSA-N 1 0 269.370 2.230 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230690262 370464196 /nfs/dbraw/zinc/46/41/96/370464196.db2.gz FEBWHIKZAQHTRJ-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000231708439 370491197 /nfs/dbraw/zinc/49/11/97/370491197.db2.gz FLOABGIZXIWGTK-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO CC(C)(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000236669902 370605973 /nfs/dbraw/zinc/60/59/73/370605973.db2.gz NRXKIGQFKMFRAI-PWSUYJOCSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689641 371411978 /nfs/dbraw/zinc/41/19/78/371411978.db2.gz IGYJNUVUAAOLEV-JOYOIKCWSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000251687392 371412677 /nfs/dbraw/zinc/41/26/77/371412677.db2.gz IDVRTPHAKKEKPR-AAEUAGOBSA-N 1 0 293.342 2.402 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000359317939 371426732 /nfs/dbraw/zinc/42/67/32/371426732.db2.gz SHYJOICZNWZOCR-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@@H]1C ZINC000360961106 371564583 /nfs/dbraw/zinc/56/45/83/371564583.db2.gz OREYXNQKCJPGTH-NSHDSACASA-N 1 0 295.387 2.406 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261708263 371708627 /nfs/dbraw/zinc/70/86/27/371708627.db2.gz JCSMBTAKRXINAS-GFCCVEGCSA-N 1 0 281.331 2.437 20 5 CEBDRO C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261634203 371685255 /nfs/dbraw/zinc/68/52/55/371685255.db2.gz DPMBENLPPFIPRN-DOMZBBRYSA-N 1 0 277.368 2.197 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261652637 371692713 /nfs/dbraw/zinc/69/27/13/371692713.db2.gz DLABRQWVNZBFKL-UPJWGTAASA-N 1 0 275.352 2.197 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C[NH3+] ZINC000261684031 371701414 /nfs/dbraw/zinc/70/14/14/371701414.db2.gz HDIVSDMXFIEQAF-QMTHXVAHSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1cc(F)cc(C(=O)N(C)CC(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC000262580494 371878299 /nfs/dbraw/zinc/87/82/99/371878299.db2.gz IXTYYWLXJXVGRF-UHFFFAOYSA-N 1 0 297.330 2.099 20 5 CEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344417542 217188178 /nfs/dbraw/zinc/18/81/78/217188178.db2.gz FECGNRMJUFVQCA-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000344427465 217190458 /nfs/dbraw/zinc/19/04/58/217190458.db2.gz FBUNQJRKUBAHAJ-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000269911228 372596944 /nfs/dbraw/zinc/59/69/44/372596944.db2.gz IIBHBMMBRXOFGJ-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000344599100 217243669 /nfs/dbraw/zinc/24/36/69/217243669.db2.gz FUMHLFFLXABDSH-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000271515181 373192963 /nfs/dbraw/zinc/19/29/63/373192963.db2.gz KNIZZVPTKSRUJC-VXGBXAGGSA-N 1 0 279.340 2.019 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)n1 ZINC000369583279 373460916 /nfs/dbraw/zinc/46/09/16/373460916.db2.gz AQZXNMXPGDSJEL-ZDUSSCGKSA-N 1 0 292.339 2.121 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(C)(C)O ZINC000274794655 374053167 /nfs/dbraw/zinc/05/31/67/374053167.db2.gz ZLNKKMMPVPNRLC-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO COC(=O)C1(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275067658 374144297 /nfs/dbraw/zinc/14/42/97/374144297.db2.gz GKVQKOQBNDBVBZ-SNVBAGLBSA-N 1 0 278.308 2.199 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372854383 374212831 /nfs/dbraw/zinc/21/28/31/374212831.db2.gz CSUFSJUNPISFHD-DZGCQCFKSA-N 1 0 276.336 2.360 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000573696976 299454036 /nfs/dbraw/zinc/45/40/36/299454036.db2.gz NXVNWGSMVVJUHI-UHFFFAOYSA-N 1 0 279.340 2.357 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+](C)C ZINC000277023094 374382019 /nfs/dbraw/zinc/38/20/19/374382019.db2.gz CQTXMXHMNKIIRE-SNVBAGLBSA-N 1 0 267.329 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000374047100 374471883 /nfs/dbraw/zinc/47/18/83/374471883.db2.gz AJSOJZAPTKSEJT-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000374051455 374474149 /nfs/dbraw/zinc/47/41/49/374474149.db2.gz RKCKSLQRDRGKJF-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO C[C@@H]1COCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374366121 374554656 /nfs/dbraw/zinc/55/46/56/374554656.db2.gz MZGPHUKRTXBTDC-NSHDSACASA-N 1 0 250.298 2.063 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374412063 374566237 /nfs/dbraw/zinc/56/62/37/374566237.db2.gz PPGXYOVQXACGCC-GXTWGEPZSA-N 1 0 276.336 2.453 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000376756290 374729293 /nfs/dbraw/zinc/72/92/93/374729293.db2.gz CJWNSGWUWOBLNZ-SWLSCSKDSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCC3)CC2)nc1 ZINC000377662774 374914872 /nfs/dbraw/zinc/91/48/72/374914872.db2.gz RZJASYNACYIWAG-UHFFFAOYSA-N 1 0 290.367 2.491 20 5 CEBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000381173992 375170990 /nfs/dbraw/zinc/17/09/90/375170990.db2.gz OQLPBMRZXHBZMZ-ZYHUDNBSSA-N 1 0 279.315 2.231 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000280582580 375252187 /nfs/dbraw/zinc/25/21/87/375252187.db2.gz WSYREBOEVIWOGM-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000382433989 375186118 /nfs/dbraw/zinc/18/61/18/375186118.db2.gz TZIGMQBWOLKBDU-KWQFWETISA-N 1 0 297.742 2.105 20 5 CEBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253976 375287389 /nfs/dbraw/zinc/28/73/89/375287389.db2.gz YNWPREJIFYHTKF-QMTHXVAHSA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000388330451 375288357 /nfs/dbraw/zinc/28/83/57/375288357.db2.gz RFQDOIFUOBVFIL-BXUZGUMPSA-N 1 0 263.341 2.012 20 5 CEBDRO CC(C)[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000282120630 375407706 /nfs/dbraw/zinc/40/77/06/375407706.db2.gz KNIFFANNBBCIQI-UHFFFAOYSA-N 1 0 284.385 2.360 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282161155 375417832 /nfs/dbraw/zinc/41/78/32/375417832.db2.gz UFVOHMJCYBZAKN-HONMWMINSA-N 1 0 264.325 2.406 20 5 CEBDRO C[NH+](C)[C@]1(CNc2cc(N)ccc2[N+](=O)[O-])CCSC1 ZINC000282171894 375420032 /nfs/dbraw/zinc/42/00/32/375420032.db2.gz IENXKLMDOPAZRH-ZDUSSCGKSA-N 1 0 296.396 2.026 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282443549 375486780 /nfs/dbraw/zinc/48/67/80/375486780.db2.gz RZVMVOCMDKNQSS-TZMCWYRMSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn[nH]c1 ZINC000283050260 375644666 /nfs/dbraw/zinc/64/46/66/375644666.db2.gz IWMAXBXPUSVPJI-QMMMGPOBSA-N 1 0 264.260 2.308 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000283921984 375780601 /nfs/dbraw/zinc/78/06/01/375780601.db2.gz DRJIZCVWVZFVPP-UWVGGRQHSA-N 1 0 289.339 2.322 20 5 CEBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160345 375819258 /nfs/dbraw/zinc/81/92/58/375819258.db2.gz PTBHJBJFRQVCDF-DGCLKSJQSA-N 1 0 292.383 2.312 20 5 CEBDRO Cc1c(NC(=O)N[C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414707991 375933820 /nfs/dbraw/zinc/93/38/20/375933820.db2.gz PTWBBBDYMDWXGX-CQSZACIVSA-N 1 0 292.339 2.152 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000286701638 376040535 /nfs/dbraw/zinc/04/05/35/376040535.db2.gz WJEHECMNCGMHLM-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000287992929 376357242 /nfs/dbraw/zinc/35/72/42/376357242.db2.gz RSJGXFTVTFBFFQ-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305764584 376477793 /nfs/dbraw/zinc/47/77/93/376477793.db2.gz ZKCVGYAFCCUPPJ-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1nccn1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263642525 190071366 /nfs/dbraw/zinc/07/13/66/190071366.db2.gz AIAGGYDBXJQKEL-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305803690 376496972 /nfs/dbraw/zinc/49/69/72/376496972.db2.gz FQEBHCSHSJHOQH-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942894 376521314 /nfs/dbraw/zinc/52/13/14/376521314.db2.gz OWYLUCVOMKVDRA-STQMWFEESA-N 1 0 289.379 2.341 20 5 CEBDRO Cc1nc(Nc2ccc3c(c2)C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC000420180777 376592484 /nfs/dbraw/zinc/59/24/84/376592484.db2.gz DDUQDZZMOHLROP-UHFFFAOYSA-N 1 0 285.307 2.083 20 5 CEBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420237218 376646282 /nfs/dbraw/zinc/64/62/82/376646282.db2.gz KZDVZGUJFOOHLS-NSHDSACASA-N 1 0 286.335 2.250 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000420240092 376648712 /nfs/dbraw/zinc/64/87/12/376648712.db2.gz QPXLPHAFTAZNTB-QWRGUYRKSA-N 1 0 293.323 2.063 20 5 CEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCC[NH3+] ZINC000420241581 376651105 /nfs/dbraw/zinc/65/11/05/376651105.db2.gz VPRJGNBZRUVHKF-UHFFFAOYSA-N 1 0 299.302 2.061 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019218 376936911 /nfs/dbraw/zinc/93/69/11/376936911.db2.gz UTCWBKZOZLFFBF-AGIUHOORSA-N 1 0 293.367 2.012 20 5 CEBDRO CCOc1ccc([C@@H](C)NCCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423201220 377118307 /nfs/dbraw/zinc/11/83/07/377118307.db2.gz OBRZCUAJGLNENR-LLVKDONJSA-N 1 0 281.356 2.254 20 5 CEBDRO CC[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177531 377087641 /nfs/dbraw/zinc/08/76/41/377087641.db2.gz AWEXQKNHGJXFMP-GXTWGEPZSA-N 1 0 263.341 2.388 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180010 377093241 /nfs/dbraw/zinc/09/32/41/377093241.db2.gz DSMBHFFMZZQOCM-WCQYABFASA-N 1 0 293.367 2.396 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194466 377107063 /nfs/dbraw/zinc/10/70/63/377107063.db2.gz RNSAOKAOQDXEHK-YPMHNXCESA-N 1 0 263.341 2.306 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330577039 377193297 /nfs/dbraw/zinc/19/32/97/377193297.db2.gz GTLZHNPTJLZGNY-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO C[NH2+]CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423223209 377139770 /nfs/dbraw/zinc/13/97/70/377139770.db2.gz FKIARLKAEBJNEO-INIZCTEOSA-N 1 0 285.347 2.493 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330504291 377162374 /nfs/dbraw/zinc/16/23/74/377162374.db2.gz DQMUKBPOIYCYIA-GFCCVEGCSA-N 1 0 291.351 2.432 20 5 CEBDRO CO[C@@H]1C[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000331133271 377296795 /nfs/dbraw/zinc/29/67/95/377296795.db2.gz UPYKYWOUPHRKNS-ZLKJLUDKSA-N 1 0 280.324 2.001 20 5 CEBDRO Cc1ccc(C[NH2+]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000293029792 377398597 /nfs/dbraw/zinc/39/85/97/377398597.db2.gz PQPKIUWPJDUWPE-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000293044670 377406021 /nfs/dbraw/zinc/40/60/21/377406021.db2.gz KZZYTDNMKGVULQ-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO CC(C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000564835089 377470648 /nfs/dbraw/zinc/47/06/48/377470648.db2.gz TYYOPVSRAYDCGF-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCO2)n1 ZINC000331645033 377487764 /nfs/dbraw/zinc/48/77/64/377487764.db2.gz QAONDLKXNZTAEY-FRRDWIJNSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]1C ZINC000293362359 377537542 /nfs/dbraw/zinc/53/75/42/377537542.db2.gz INEZMIKQTXNQTC-VWYCJHECSA-N 1 0 277.324 2.262 20 5 CEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293530590 377611383 /nfs/dbraw/zinc/61/13/83/377611383.db2.gz WYCBIUKTZBHVTO-TXEJJXNPSA-N 1 0 263.341 2.119 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000293582426 377641947 /nfs/dbraw/zinc/64/19/47/377641947.db2.gz DIMYMEDAUUOPOA-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CC(C)CC[C@@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726951 377684455 /nfs/dbraw/zinc/68/44/55/377684455.db2.gz UJNVPZUTJHHLJE-CQSZACIVSA-N 1 0 293.367 2.145 20 5 CEBDRO C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293898502 377814552 /nfs/dbraw/zinc/81/45/52/377814552.db2.gz HCCLNMGZFDFDRT-ZDUSSCGKSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294319992 377978733 /nfs/dbraw/zinc/97/87/33/377978733.db2.gz OHPKBNZXUADGNG-GXFFZTMASA-N 1 0 293.367 2.379 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000443519184 378058600 /nfs/dbraw/zinc/05/86/00/378058600.db2.gz NXQKCCQVSKMWSU-UWVGGRQHSA-N 1 0 284.385 2.360 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295693205 378266989 /nfs/dbraw/zinc/26/69/89/378266989.db2.gz LWZXYGOBXKSYPR-WZRBSPASSA-N 1 0 264.325 2.293 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295674833 378260142 /nfs/dbraw/zinc/26/01/42/378260142.db2.gz KULPHZTZJDJJII-SNVBAGLBSA-N 1 0 281.360 2.226 20 5 CEBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450598440 378492844 /nfs/dbraw/zinc/49/28/44/378492844.db2.gz QNOPBLUPHYBAKO-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296335304 378496139 /nfs/dbraw/zinc/49/61/39/378496139.db2.gz HMHGIKRNGAEBCM-WZRBSPASSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296536833 378566820 /nfs/dbraw/zinc/56/68/20/378566820.db2.gz DRWBSENCTPNMNK-QWRGUYRKSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000450780232 378576277 /nfs/dbraw/zinc/57/62/77/378576277.db2.gz PRZXQULEIJFWME-YGRLFVJLSA-N 1 0 279.315 2.183 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000266136087 190233385 /nfs/dbraw/zinc/23/33/85/190233385.db2.gz FMJMGQKKWRFDAR-AWEZNQCLSA-N 1 0 276.292 2.185 20 5 CEBDRO C[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266173639 190237466 /nfs/dbraw/zinc/23/74/66/190237466.db2.gz SEIFUAITYMWZKP-VIFPVBQESA-N 1 0 293.348 2.189 20 5 CEBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000298637027 378786176 /nfs/dbraw/zinc/78/61/76/378786176.db2.gz YNUVTRUVGPZLAN-SECBINFHSA-N 1 0 291.307 2.021 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000346977815 218075740 /nfs/dbraw/zinc/07/57/40/218075740.db2.gz LDPFZWFBHUAACM-ZDUSSCGKSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000347064373 218110948 /nfs/dbraw/zinc/11/09/48/218110948.db2.gz JVHIWQBQIKIDPM-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000347340291 218195030 /nfs/dbraw/zinc/19/50/30/218195030.db2.gz NVDFGHDUFHHNND-RAXLEYEMSA-N 1 0 275.352 2.246 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000347353726 218201804 /nfs/dbraw/zinc/20/18/04/218201804.db2.gz GUJJQKLOGHHHCJ-LDCOFTPGSA-N 1 0 276.336 2.455 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000266402038 190254638 /nfs/dbraw/zinc/25/46/38/190254638.db2.gz PNCPGXQCIOJFET-LLVKDONJSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1nn(C)c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000301347123 379260937 /nfs/dbraw/zinc/26/09/37/379260937.db2.gz KVOJJJLHIHIQHE-JTQLQIEISA-N 1 0 283.376 2.025 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516877723 379320714 /nfs/dbraw/zinc/32/07/14/379320714.db2.gz KTVGGEJTLKERAP-BXUZGUMPSA-N 1 0 278.352 2.436 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]2C1 ZINC000516950998 379327064 /nfs/dbraw/zinc/32/70/64/379327064.db2.gz LLLBGDZNRRFGKR-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304239157 379534380 /nfs/dbraw/zinc/53/43/80/379534380.db2.gz LGXUDMKKNDYUPO-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000303983725 379503151 /nfs/dbraw/zinc/50/31/51/379503151.db2.gz HEOQNYGJEZHTGV-GFCCVEGCSA-N 1 0 282.340 2.065 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000522243316 379566787 /nfs/dbraw/zinc/56/67/87/379566787.db2.gz PIWYRLRLRNFYRI-AWEZNQCLSA-N 1 0 291.351 2.085 20 5 CEBDRO Cc1sc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524721114 379631114 /nfs/dbraw/zinc/63/11/14/379631114.db2.gz MWRDGZARXCFGHP-SECBINFHSA-N 1 0 297.380 2.036 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457083383 379657289 /nfs/dbraw/zinc/65/72/89/379657289.db2.gz JZVQZQYJOTWMIU-AWEZNQCLSA-N 1 0 291.351 2.150 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000267250874 190314930 /nfs/dbraw/zinc/31/49/30/190314930.db2.gz IJPVAPJLGGJJKY-QWRGUYRKSA-N 1 0 264.329 2.275 20 5 CEBDRO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000267280757 190317606 /nfs/dbraw/zinc/31/76/06/190317606.db2.gz KSYYHVOUANBWAC-KBPBESRZSA-N 1 0 291.351 2.256 20 5 CEBDRO COC[C@@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526124410 379706726 /nfs/dbraw/zinc/70/67/26/379706726.db2.gz BHNMDURBHYGNHN-NSHDSACASA-N 1 0 264.325 2.235 20 5 CEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735312 380125662 /nfs/dbraw/zinc/12/56/62/380125662.db2.gz ORKVXUPHKQGXNC-OUCADQQQSA-N 1 0 290.367 2.156 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000550659454 380626927 /nfs/dbraw/zinc/62/69/27/380626927.db2.gz RKPMXYTUSAGUFV-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078717 380868483 /nfs/dbraw/zinc/86/84/83/380868483.db2.gz YEGASPRJQSZJFY-JIMOISOXSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000279348571 194394877 /nfs/dbraw/zinc/39/48/77/194394877.db2.gz DAUABLVVKBEAOG-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000375803347 285115723 /nfs/dbraw/zinc/11/57/23/285115723.db2.gz ZXYCLRWTDCYRGC-ZDUSSCGKSA-N 1 0 272.308 2.485 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000302815885 285119101 /nfs/dbraw/zinc/11/91/01/285119101.db2.gz KYGGOVNRHMUUJT-NSHDSACASA-N 1 0 265.288 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC1)CCC2 ZINC000193045432 285145282 /nfs/dbraw/zinc/14/52/82/285145282.db2.gz HYHSZIYAOMVNDU-BXUZGUMPSA-N 1 0 262.309 2.351 20 5 CEBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103595 533117839 /nfs/dbraw/zinc/11/78/39/533117839.db2.gz LJHNZHUJMTXGNU-HNNXBMFYSA-N 1 0 292.335 2.370 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCOC2)cs1 ZINC000288490503 197093560 /nfs/dbraw/zinc/09/35/60/197093560.db2.gz QUBMSOPBBAJMDD-UHFFFAOYSA-N 1 0 254.311 2.093 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453630 195246178 /nfs/dbraw/zinc/24/61/78/195246178.db2.gz QSULKTVAPOTZJM-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093983955 184747719 /nfs/dbraw/zinc/74/77/19/184747719.db2.gz GSLIDQUULWWJIL-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000093991134 184748606 /nfs/dbraw/zinc/74/86/06/184748606.db2.gz XMPXEKGFERIYDQ-QWHCGFSZSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H](O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756295 533624093 /nfs/dbraw/zinc/62/40/93/533624093.db2.gz IQCRGMJAQPYRPC-SNVBAGLBSA-N 1 0 252.314 2.190 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342078450 130241207 /nfs/dbraw/zinc/24/12/07/130241207.db2.gz RAOYDRMOUZPMGZ-NSHDSACASA-N 1 0 297.330 2.257 20 5 CEBDRO CC[C@@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000192080279 130367569 /nfs/dbraw/zinc/36/75/69/130367569.db2.gz YHNCTFHNGPZPQK-GIPNMCIBSA-N 1 0 279.340 2.145 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237529253 131038448 /nfs/dbraw/zinc/03/84/48/131038448.db2.gz CBBWWCFMAMAYTN-WCFLWFBJSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000261664723 131160370 /nfs/dbraw/zinc/16/03/70/131160370.db2.gz KVNDDTWGLYGRHF-JTNHKYCSSA-N 1 0 291.351 2.020 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000302247903 394475151 /nfs/dbraw/zinc/47/51/51/394475151.db2.gz LJOPOOLYOQHZAD-UHFFFAOYSA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413056535 394476104 /nfs/dbraw/zinc/47/61/04/394476104.db2.gz CVSCJOGCPDNWGQ-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036794140 394494661 /nfs/dbraw/zinc/49/46/61/394494661.db2.gz HXZLPIRWDGSRRD-ZWNOBZJWSA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180761 394498453 /nfs/dbraw/zinc/49/84/53/394498453.db2.gz NOAXQSQZZGDTFA-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187516 394499820 /nfs/dbraw/zinc/49/98/20/394499820.db2.gz FGKHNFHJUZXXPE-PRHODGIISA-N 1 0 280.303 2.024 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000421704793 394570119 /nfs/dbraw/zinc/57/01/19/394570119.db2.gz PUEWYXLCHZMSEV-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421708314 394572031 /nfs/dbraw/zinc/57/20/31/394572031.db2.gz ZULJRIIGPWATMQ-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070176371 394586057 /nfs/dbraw/zinc/58/60/57/394586057.db2.gz PTACHKGCMURKLM-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413292307 394519593 /nfs/dbraw/zinc/51/95/93/394519593.db2.gz AFSORORMQIPVBO-VIFPVBQESA-N 1 0 270.308 2.270 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCn2ccnc2)cc1 ZINC000049328091 394545344 /nfs/dbraw/zinc/54/53/44/394545344.db2.gz NRCXQKNUSOOJPF-UHFFFAOYSA-N 1 0 274.324 2.014 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000356173824 394552817 /nfs/dbraw/zinc/55/28/17/394552817.db2.gz HOBZHIWPMUKEGN-UHFFFAOYSA-N 1 0 283.291 2.108 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000249217700 394553065 /nfs/dbraw/zinc/55/30/65/394553065.db2.gz FMVNPOHALBZNDN-DGCLKSJQSA-N 1 0 290.367 2.098 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422722251 394740225 /nfs/dbraw/zinc/74/02/25/394740225.db2.gz XJHBWPUUEQOTJP-BXUZGUMPSA-N 1 0 293.367 2.081 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000359219048 394745374 /nfs/dbraw/zinc/74/53/74/394745374.db2.gz HSBHTMVJOWTKEH-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC[NH2+]2)CC1 ZINC000422562693 394711544 /nfs/dbraw/zinc/71/15/44/394711544.db2.gz QRTNIMWPSQAPIG-HYXAFXHYSA-N 1 0 287.363 2.436 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000422632911 394722222 /nfs/dbraw/zinc/72/22/22/394722222.db2.gz NKWPKPRXEUOEBN-VXGBXAGGSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH3+])CC1 ZINC000422687083 394723123 /nfs/dbraw/zinc/72/31/23/394723123.db2.gz IUNWSEFEZHUFCF-UHFFFAOYSA-N 1 0 291.351 2.083 20 5 CEBDRO COc1ccc(CN[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414830445 394758188 /nfs/dbraw/zinc/75/81/88/394758188.db2.gz AZPDPYMOJGQHCA-GFCCVEGCSA-N 1 0 281.356 2.066 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH3+])CC(C)C ZINC000414830628 394759034 /nfs/dbraw/zinc/75/90/34/394759034.db2.gz BGFQJUGDHGBYBO-CYBMUJFWSA-N 1 0 265.357 2.366 20 5 CEBDRO C[NH2+]CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414838073 394763572 /nfs/dbraw/zinc/76/35/72/394763572.db2.gz YMWAPPVYZTUCPQ-UHFFFAOYSA-N 1 0 292.364 2.027 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422775648 394775549 /nfs/dbraw/zinc/77/55/49/394775549.db2.gz AZASBJHHFDEFOY-JTQLQIEISA-N 1 0 279.340 2.185 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000273722338 394789404 /nfs/dbraw/zinc/78/94/04/394789404.db2.gz GVQCSZAMNYXWHC-KBPBESRZSA-N 1 0 299.334 2.242 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414934774 394811039 /nfs/dbraw/zinc/81/10/39/394811039.db2.gz YEPDKDFAEOUBSZ-CHWSQXEVSA-N 1 0 293.367 2.353 20 5 CEBDRO CC[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000130118015 394881477 /nfs/dbraw/zinc/88/14/77/394881477.db2.gz GQHZQBFSQJPCRQ-RISCZKNCSA-N 1 0 291.351 2.162 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC(C)(C)C1 ZINC000361468414 394830279 /nfs/dbraw/zinc/83/02/79/394830279.db2.gz GLSPTGMSDOXEAI-LBPRGKRZSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]CC1(C)C ZINC000414969148 394830783 /nfs/dbraw/zinc/83/07/83/394830783.db2.gz JBHRZFUSQOMUAL-AWEZNQCLSA-N 1 0 277.368 2.381 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000422855609 394831979 /nfs/dbraw/zinc/83/19/79/394831979.db2.gz CQROKJXYOYVWKW-CYBMUJFWSA-N 1 0 291.351 2.185 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000282079449 394907487 /nfs/dbraw/zinc/90/74/87/394907487.db2.gz ZPXULJFBUPHZJW-SNVBAGLBSA-N 1 0 282.369 2.480 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384392 394907806 /nfs/dbraw/zinc/90/78/06/394907806.db2.gz QAHKNPVJAGSHJP-MDZLAQPJSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000415422397 394930855 /nfs/dbraw/zinc/93/08/55/394930855.db2.gz WOSANEIEUOREQJ-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415424031 394930991 /nfs/dbraw/zinc/93/09/91/394930991.db2.gz ACBSMWVNIURFGQ-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415499182 394938169 /nfs/dbraw/zinc/93/81/69/394938169.db2.gz JSQCNMQQRGNTGK-GHMZBOCLSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415493983 394938277 /nfs/dbraw/zinc/93/82/77/394938277.db2.gz DMUQULJARRCLAQ-AWEZNQCLSA-N 1 0 294.355 2.398 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH3+] ZINC000415757355 394960215 /nfs/dbraw/zinc/96/02/15/394960215.db2.gz GGJMSJUXZGYGAG-SECBINFHSA-N 1 0 280.328 2.016 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285859126 394974373 /nfs/dbraw/zinc/97/43/73/394974373.db2.gz ILQFZTHRRDOBSD-GXSJLCMTSA-N 1 0 252.339 2.436 20 5 CEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000344438539 395055236 /nfs/dbraw/zinc/05/52/36/395055236.db2.gz XCOCEHWUOXKOAD-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000423961365 395035890 /nfs/dbraw/zinc/03/58/90/395035890.db2.gz TXZPNVSUKHHQPE-ZDUSSCGKSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000343535537 395041717 /nfs/dbraw/zinc/04/17/17/395041717.db2.gz QEXGGNVYHBRMNM-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000291644816 395149063 /nfs/dbraw/zinc/14/90/63/395149063.db2.gz BYXWDGDZUZLMMF-UHFFFAOYSA-N 1 0 298.339 2.071 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292189766 395187614 /nfs/dbraw/zinc/18/76/14/395187614.db2.gz GDGKUBSHBJRBOD-CQSZACIVSA-N 1 0 261.325 2.127 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)CO ZINC000294880976 395280523 /nfs/dbraw/zinc/28/05/23/395280523.db2.gz VOIWGLNZYSDZBU-UHFFFAOYSA-N 1 0 296.367 2.444 20 5 CEBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC1(C)C ZINC000419315498 395255151 /nfs/dbraw/zinc/25/51/51/395255151.db2.gz JXJBZOYUKRSRIN-VHSXEESVSA-N 1 0 266.345 2.243 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519307 395261238 /nfs/dbraw/zinc/26/12/38/395261238.db2.gz NPNXSRYBZAGKPZ-LLVKDONJSA-N 1 0 281.331 2.437 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000294016195 395262740 /nfs/dbraw/zinc/26/27/40/395262740.db2.gz YQFSYUBAQVERBQ-GFCCVEGCSA-N 1 0 252.314 2.106 20 5 CEBDRO COCCCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000419392997 395269841 /nfs/dbraw/zinc/26/98/41/395269841.db2.gz ZRADLTTZPUIKBD-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH2+]C(C)C)CC1 ZINC000192559633 395387548 /nfs/dbraw/zinc/38/75/48/395387548.db2.gz HPUMUQFEGMBUMU-UHFFFAOYSA-N 1 0 295.387 2.086 20 5 CEBDRO CC(C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192850880 395393732 /nfs/dbraw/zinc/39/37/32/395393732.db2.gz AYQIIQUJRLRUKU-ZDUSSCGKSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@](C)(F)C1 ZINC000420336876 395334858 /nfs/dbraw/zinc/33/48/58/395334858.db2.gz QIKBPVVWHMKLAE-FZMZJTMJSA-N 1 0 281.331 2.289 20 5 CEBDRO Cc1cccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1[N+](=O)[O-] ZINC000297432758 395340433 /nfs/dbraw/zinc/34/04/33/395340433.db2.gz TWGRMASKCZCPGV-GAFUQQFSSA-N 1 0 291.351 2.101 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955270 395344547 /nfs/dbraw/zinc/34/45/47/395344547.db2.gz SHYUFXCCIKNLAF-NWDGAFQWSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446065986 395480441 /nfs/dbraw/zinc/48/04/41/395480441.db2.gz GDDKNETUJMGCLE-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574070847 395625945 /nfs/dbraw/zinc/62/59/45/395625945.db2.gz AEBHKQPQHLIDLF-JSGCOSHPSA-N 1 0 296.367 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000574401900 395629286 /nfs/dbraw/zinc/62/92/86/395629286.db2.gz AOZNWLJODNBVMF-XHDPSFHLSA-N 1 0 291.351 2.223 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000574652458 395634588 /nfs/dbraw/zinc/63/45/88/395634588.db2.gz YWWJLOJHGRZOOV-NSHDSACASA-N 1 0 279.340 2.500 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000155614517 289178644 /nfs/dbraw/zinc/17/86/44/289178644.db2.gz XZKXLXRGJCTNDD-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO O=C(c1ccc([N+](=O)[O-])s1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190742962 153141778 /nfs/dbraw/zinc/14/17/78/153141778.db2.gz VTVPNZZALXIPDP-VIFPVBQESA-N 1 0 295.364 2.013 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000359286272 292282252 /nfs/dbraw/zinc/28/22/52/292282252.db2.gz ILXWXPMMACPZPA-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943500 153374503 /nfs/dbraw/zinc/37/45/03/153374503.db2.gz CVWPAHNPRDIPAA-QWRGUYRKSA-N 1 0 279.340 2.159 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000263229053 154037122 /nfs/dbraw/zinc/03/71/22/154037122.db2.gz HLDWKNSXAASNCR-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076458 156277506 /nfs/dbraw/zinc/27/75/06/156277506.db2.gz QEPUBTQFYUAQJA-FZMZJTMJSA-N 1 0 278.356 2.340 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000369331467 156459119 /nfs/dbraw/zinc/45/91/19/156459119.db2.gz WZGDEESVIMDJEI-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165909535 162346829 /nfs/dbraw/zinc/34/68/29/162346829.db2.gz KUEJQPWQJJCCCT-LBPRGKRZSA-N 1 0 295.314 2.077 20 5 CEBDRO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000171827503 162389282 /nfs/dbraw/zinc/38/92/82/162389282.db2.gz YOPHMKHNQGMOFW-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060675 165036883 /nfs/dbraw/zinc/03/68/83/165036883.db2.gz CIKAZPHXJKXUMP-DTWKUNHWSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174818542 165117995 /nfs/dbraw/zinc/11/79/95/165117995.db2.gz GSNSNHPXLCVRPL-JTQLQIEISA-N 1 0 264.329 2.054 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000176215157 165159327 /nfs/dbraw/zinc/15/93/27/165159327.db2.gz NZFKJFGRZXJAQH-CYBMUJFWSA-N 1 0 278.356 2.446 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000180629419 165317096 /nfs/dbraw/zinc/31/70/96/165317096.db2.gz DOVNFQJOLFZDLK-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO COC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508571 196073613 /nfs/dbraw/zinc/07/36/13/196073613.db2.gz IUXUVADMOFWJTR-CQSZACIVSA-N 1 0 294.351 2.221 20 5 CEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1OCCCO1 ZINC000285195823 196219168 /nfs/dbraw/zinc/21/91/68/196219168.db2.gz CRJRZGDEERQNHB-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO Cn1cncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285270015 196237196 /nfs/dbraw/zinc/23/71/96/196237196.db2.gz INBPTKVSIRWJPM-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735716 172388336 /nfs/dbraw/zinc/38/83/36/172388336.db2.gz YJXXPKQJTUYEIV-MFKMUULPSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000285470074 196295454 /nfs/dbraw/zinc/29/54/54/196295454.db2.gz KLOCYKHIYLVFHP-YPMHNXCESA-N 1 0 294.351 2.366 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000285666127 196360366 /nfs/dbraw/zinc/36/03/66/196360366.db2.gz MKAJKRRNFABDAK-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060720 174071865 /nfs/dbraw/zinc/07/18/65/174071865.db2.gz YBYAZTCATBCVLI-CABCVRRESA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1c(CSc2nc(N)cc(N)[nH+]2)cccc1[N+](=O)[O-] ZINC000040437787 174262651 /nfs/dbraw/zinc/26/26/51/174262651.db2.gz WMRROFNGOZWYRQ-UHFFFAOYSA-N 1 0 291.336 2.150 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000040596632 174349282 /nfs/dbraw/zinc/34/92/82/174349282.db2.gz PIKLKMLXKPORND-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000040676165 174374010 /nfs/dbraw/zinc/37/40/10/174374010.db2.gz KXIRTZPRFVGVDW-NSHDSACASA-N 1 0 293.367 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1OCC1CC[NH2+]CC1 ZINC000043497983 175058061 /nfs/dbraw/zinc/05/80/61/175058061.db2.gz KXJQNRHJZOSMJI-UHFFFAOYSA-N 1 0 254.261 2.112 20 5 CEBDRO COCCOCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044693925 175234473 /nfs/dbraw/zinc/23/44/73/175234473.db2.gz DMYDRGIVMXGESS-GFCCVEGCSA-N 1 0 282.340 2.217 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000044723754 175237265 /nfs/dbraw/zinc/23/72/65/175237265.db2.gz FTJWZGOLRPUKSA-JTQLQIEISA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300833 176113654 /nfs/dbraw/zinc/11/36/54/176113654.db2.gz QXUZLEXESUQWFP-NOZJJQNGSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000077423388 177265936 /nfs/dbraw/zinc/26/59/36/177265936.db2.gz OVAIGVBVIPSSSQ-RKDXNWHRSA-N 1 0 272.732 2.355 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000078542617 177351717 /nfs/dbraw/zinc/35/17/17/177351717.db2.gz ICQGLCOOIOVGIA-ZDUSSCGKSA-N 1 0 294.311 2.255 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000449208346 260294728 /nfs/dbraw/zinc/29/47/28/260294728.db2.gz DGCBARJSJRMFHU-MRVWCRGKSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000449333896 260422997 /nfs/dbraw/zinc/42/29/97/260422997.db2.gz ICJBWOQNWKSWSB-FZMZJTMJSA-N 1 0 278.352 2.134 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@]3(CCSC3)C2)n1 ZINC000451983072 263018616 /nfs/dbraw/zinc/01/86/16/263018616.db2.gz UNHJKKZCLMYFAY-ZDUSSCGKSA-N 1 0 296.396 2.010 20 5 CEBDRO COCC(C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425991680 264279747 /nfs/dbraw/zinc/27/97/47/264279747.db2.gz XQWNYYSDJYVVCL-UHFFFAOYSA-N 1 0 296.371 2.101 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586525 264530175 /nfs/dbraw/zinc/53/01/75/264530175.db2.gz BJJLADXUMHNBAS-GXTWGEPZSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193511145 270285495 /nfs/dbraw/zinc/28/54/95/270285495.db2.gz MVFVPLPVVSGREU-UHFFFAOYSA-N 1 0 294.355 2.367 20 5 CEBDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000395896440 270348335 /nfs/dbraw/zinc/34/83/35/270348335.db2.gz UDYKYWGLTLZOBJ-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397490279 270353849 /nfs/dbraw/zinc/35/38/49/270353849.db2.gz ZCRBYWBNLNLSEI-KKZNHRDASA-N 1 0 297.380 2.102 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1(C)C ZINC000419309684 270440620 /nfs/dbraw/zinc/44/06/20/270440620.db2.gz CBCXXLLVYXPWGE-QWHCGFSZSA-N 1 0 293.367 2.171 20 5 CEBDRO [NH3+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000423337310 270899414 /nfs/dbraw/zinc/89/94/14/270899414.db2.gz VFLJOLNTJCYRBB-CQSZACIVSA-N 1 0 275.352 2.443 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCC[NH3+] ZINC000423677941 270930427 /nfs/dbraw/zinc/93/04/27/270930427.db2.gz IEQDEMXJDPMMQZ-LLVKDONJSA-N 1 0 293.367 2.377 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C(C)(C)C ZINC000430193670 271361865 /nfs/dbraw/zinc/36/18/65/271361865.db2.gz ADUNOHBRNDPTAM-CYBMUJFWSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@@](C[NH3+])(NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000430563504 271390144 /nfs/dbraw/zinc/39/01/44/271390144.db2.gz WILCWYCQUVQSBS-ZDUSSCGKSA-N 1 0 283.759 2.465 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295208376 273592359 /nfs/dbraw/zinc/59/23/59/273592359.db2.gz LWAVQXTYYKKNPY-GFCCVEGCSA-N 1 0 295.295 2.160 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000310911899 274638487 /nfs/dbraw/zinc/63/84/87/274638487.db2.gz HLXMIFPSSSAWNQ-KWQFWETISA-N 1 0 269.732 2.170 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCCC2)CC1 ZINC000301553702 274723902 /nfs/dbraw/zinc/72/39/02/274723902.db2.gz WBWMLIWMQXAODN-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286425949 274842057 /nfs/dbraw/zinc/84/20/57/274842057.db2.gz NGRWIKVVSJNYGV-GXTWGEPZSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000292936515 274862612 /nfs/dbraw/zinc/86/26/12/274862612.db2.gz HMIOMFZTRBVWTB-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CC2CC2)CC1 ZINC000153604319 275033585 /nfs/dbraw/zinc/03/35/85/275033585.db2.gz OVQSBSMTVUIXBH-UHFFFAOYSA-N 1 0 296.758 2.175 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cccn1)CCC2 ZINC000192973265 275038327 /nfs/dbraw/zinc/03/83/27/275038327.db2.gz SWAOGOQCQWRYPQ-OAHLLOKOSA-N 1 0 286.335 2.459 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375048485 277146608 /nfs/dbraw/zinc/14/66/08/277146608.db2.gz ILXKXVRRVSTXQM-RNCFNFMXSA-N 1 0 297.305 2.403 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000123628197 277278995 /nfs/dbraw/zinc/27/89/95/277278995.db2.gz HNSQBPRUIZINKD-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305878405 277377784 /nfs/dbraw/zinc/37/77/84/277377784.db2.gz SNHNIRLKUFSTTP-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cccc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000185102885 278015936 /nfs/dbraw/zinc/01/59/36/278015936.db2.gz OEBFBSBKMNSCCV-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO COc1cccc(NC[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000291770111 278018217 /nfs/dbraw/zinc/01/82/17/278018217.db2.gz HHBZBRMSFPOECE-SNVBAGLBSA-N 1 0 267.329 2.213 20 5 CEBDRO Cc1cnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286322453 279016989 /nfs/dbraw/zinc/01/69/89/279016989.db2.gz KYUBIYNTGRGUHD-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@H]([NH3+])C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149424720 279394308 /nfs/dbraw/zinc/39/43/08/279394308.db2.gz PMVXQQRTZPHPJC-QMMMGPOBSA-N 1 0 284.747 2.207 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971911 279798065 /nfs/dbraw/zinc/79/80/65/279798065.db2.gz DQGZKZQORLFWEL-UXIGCNINSA-N 1 0 294.351 2.439 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185715739 280126300 /nfs/dbraw/zinc/12/63/00/280126300.db2.gz BCQHYMJKAGBLRM-IUCAKERBSA-N 1 0 286.353 2.334 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000351569414 280398416 /nfs/dbraw/zinc/39/84/16/280398416.db2.gz USKHIOAAQCKKNO-UHFFFAOYSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264466175 280664696 /nfs/dbraw/zinc/66/46/96/280664696.db2.gz LUQWYOUPLHNGPI-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000420625567 280815135 /nfs/dbraw/zinc/81/51/35/280815135.db2.gz KRJIXHKRONXBGP-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000422875321 280944966 /nfs/dbraw/zinc/94/49/66/280944966.db2.gz DSSRUZQURLRLTC-UHFFFAOYSA-N 1 0 279.340 2.185 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000173482220 281008501 /nfs/dbraw/zinc/00/85/01/281008501.db2.gz MSNPULWALLADAK-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000276933565 281011708 /nfs/dbraw/zinc/01/17/08/281011708.db2.gz ABEHRYZHEQJLQU-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000288590381 281018263 /nfs/dbraw/zinc/01/82/63/281018263.db2.gz MUVWQOXMRZPPDP-ZYHUDNBSSA-N 1 0 277.324 2.230 20 5 CEBDRO COC[C@@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447366 281045683 /nfs/dbraw/zinc/04/56/83/281045683.db2.gz ZPWOYKWGKDQNFJ-DOMZBBRYSA-N 1 0 293.367 2.014 20 5 CEBDRO COC(=O)CC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000424274823 281141601 /nfs/dbraw/zinc/14/16/01/281141601.db2.gz AGFKWQLSFXQDAT-UHFFFAOYSA-N 1 0 278.308 2.026 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110791693 281257646 /nfs/dbraw/zinc/25/76/46/281257646.db2.gz KOKMJEBLZVHVIJ-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000155993057 289186864 /nfs/dbraw/zinc/18/68/64/289186864.db2.gz YYYPLFHUBWYBNN-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@H]1C[C@H]1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000159220889 289249227 /nfs/dbraw/zinc/24/92/27/289249227.db2.gz UWQBRXRPHRDJSC-QWRGUYRKSA-N 1 0 250.298 2.219 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252730457 289503788 /nfs/dbraw/zinc/50/37/88/289503788.db2.gz LLISDLAQLODBQN-BFKGZMGPSA-N 1 0 284.381 2.403 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000459765219 290231761 /nfs/dbraw/zinc/23/17/61/290231761.db2.gz CJSQWTPRKQFHPY-KGLIPLIRSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2CCCOC2)n1 ZINC000489953579 290468873 /nfs/dbraw/zinc/46/88/73/290468873.db2.gz CSJLLQNGZRYWJD-AVGNSLFASA-N 1 0 294.355 2.044 20 5 CEBDRO CC[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532291714 298139105 /nfs/dbraw/zinc/13/91/05/298139105.db2.gz SYOXGXMAWOVHEG-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000537316660 298208913 /nfs/dbraw/zinc/20/89/13/298208913.db2.gz BKIUSNHXAFUFHL-GFCCVEGCSA-N 1 0 290.319 2.129 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822407 298268539 /nfs/dbraw/zinc/26/85/39/298268539.db2.gz HJHXRNLNYCPQMY-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO O=C(CC[NH2+]C1CC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566556350 299002257 /nfs/dbraw/zinc/00/22/57/299002257.db2.gz LTNQEZLIOZJCMN-UHFFFAOYSA-N 1 0 299.277 2.311 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567385930 299059966 /nfs/dbraw/zinc/05/99/66/299059966.db2.gz WXFTTZRYPMWFAR-ZJUUUORDSA-N 1 0 294.355 2.405 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131974298 300490493 /nfs/dbraw/zinc/49/04/93/300490493.db2.gz FVRPRZPEEIYAIG-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC1(F)CC1)CC2 ZINC000525978386 313153509 /nfs/dbraw/zinc/15/35/09/313153509.db2.gz VFYQQGLGJTUXEI-UHFFFAOYSA-N 1 0 250.273 2.455 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000543791963 313466491 /nfs/dbraw/zinc/46/64/91/313466491.db2.gz PVDURMJTSQGZRL-CYBMUJFWSA-N 1 0 290.367 2.281 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH2+]C1CC1 ZINC000562971368 313705469 /nfs/dbraw/zinc/70/54/69/313705469.db2.gz RDBRNLZPYSSSLT-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567867914 313913768 /nfs/dbraw/zinc/91/37/68/313913768.db2.gz ZFWBBBQPWHSXOF-MNOVXSKESA-N 1 0 294.355 2.459 20 5 CEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000568474116 313958145 /nfs/dbraw/zinc/95/81/45/313958145.db2.gz CPLRXJLNTGXKTP-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571368708 314085325 /nfs/dbraw/zinc/08/53/25/314085325.db2.gz XTUHJKPFQXQZEG-DOFRETIQSA-N 1 0 262.309 2.375 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000576115820 314243929 /nfs/dbraw/zinc/24/39/29/314243929.db2.gz GPBVDWHWVAUNKK-CQSZACIVSA-N 1 0 296.367 2.121 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077593 314545392 /nfs/dbraw/zinc/54/53/92/314545392.db2.gz HCXVNBZUVJRYDR-ZWNOBZJWSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386560691 321872248 /nfs/dbraw/zinc/87/22/48/321872248.db2.gz IYMDPVRJRQDPAQ-FZMZJTMJSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000582546334 322482400 /nfs/dbraw/zinc/48/24/00/322482400.db2.gz NRIWIQDVQZVNOA-ZJUUUORDSA-N 1 0 294.355 2.459 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414513130 533872108 /nfs/dbraw/zinc/87/21/08/533872108.db2.gz JSAITIZYFMJQRX-NTZNESFSSA-N 1 0 264.325 2.498 20 5 CEBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000355058839 533895119 /nfs/dbraw/zinc/89/51/19/533895119.db2.gz PBAQNGNQFIVQCW-LBPRGKRZSA-N 1 0 282.340 2.100 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133857649 534211852 /nfs/dbraw/zinc/21/18/52/534211852.db2.gz SCYJORMLNFLHEV-QWRGUYRKSA-N 1 0 280.324 2.397 20 5 CEBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000494237210 518135236 /nfs/dbraw/zinc/13/52/36/518135236.db2.gz JNUNXUXWSURLIZ-XPTSAGLGSA-N 1 0 298.314 2.400 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736667 520064344 /nfs/dbraw/zinc/06/43/44/520064344.db2.gz LLNCDYGTCMSALR-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070173383 525010082 /nfs/dbraw/zinc/01/00/82/525010082.db2.gz OOCXDYTUDCGWDR-GHMZBOCLSA-N 1 0 292.339 2.186 20 5 CEBDRO Cc1c(CN2[C@H](C)C[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000069134532 525708641 /nfs/dbraw/zinc/70/86/41/525708641.db2.gz FOXLCIRLNUOIEK-PHIMTYICSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000183637345 525915198 /nfs/dbraw/zinc/91/51/98/525915198.db2.gz BUWVSKKEPGRWIJ-JTQLQIEISA-N 1 0 279.340 2.065 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163079 526073760 /nfs/dbraw/zinc/07/37/60/526073760.db2.gz YHGLPXGVXAFVSY-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO O=C(c1ccc([N+](=O)[O-])s1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787729 526717697 /nfs/dbraw/zinc/71/76/97/526717697.db2.gz OOEKGWSZZNXXCV-UHFFFAOYSA-N 1 0 295.364 2.013 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218442 527401392 /nfs/dbraw/zinc/40/13/92/527401392.db2.gz KGUBJMDECUPQKM-OAHLLOKOSA-N 1 0 286.331 2.288 20 5 CEBDRO CCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000116914250 528845642 /nfs/dbraw/zinc/84/56/42/528845642.db2.gz YEJGJMRFGJWQBM-UHFFFAOYSA-N 1 0 274.324 2.491 20 5 CEBDRO Cc1nn(CN2CC[C@@H](c3ccco3)C2)c(C)c1[N+](=O)[O-] ZINC000732183223 574614265 /nfs/dbraw/zinc/61/42/65/574614265.db2.gz NDERRWXBFQJDIH-GFCCVEGCSA-N 1 0 290.323 2.448 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCC(C)C)c1[N+](=O)[O-] ZINC000892425863 625365107 /nfs/dbraw/zinc/36/51/07/625365107.db2.gz BOVDBPDWVIFFSH-UHFFFAOYSA-N 1 0 268.313 2.445 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCn2cccc2C1 ZINC000932526634 622942211 /nfs/dbraw/zinc/94/22/11/622942211.db2.gz NZLRXUJNFOVDJR-UHFFFAOYSA-N 1 0 287.319 2.421 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCO ZINC000236499678 625653931 /nfs/dbraw/zinc/65/39/31/625653931.db2.gz LHKSZYSFAMGPKI-UHFFFAOYSA-N 1 0 258.705 2.110 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000308636250 623706258 /nfs/dbraw/zinc/70/62/58/623706258.db2.gz MIVVQFWELCZDDK-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000891819550 623993903 /nfs/dbraw/zinc/99/39/03/623993903.db2.gz XVXMNKBYXKOVBU-QWRGUYRKSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@@H]1CCC[C@@](CNc2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000891956508 624157191 /nfs/dbraw/zinc/15/71/91/624157191.db2.gz UNWGNJKSIOQPKQ-BXUZGUMPSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCS2)c1[N+](=O)[O-] ZINC000893110017 628010576 /nfs/dbraw/zinc/01/05/76/628010576.db2.gz FEFZGVRPOUURQI-JTQLQIEISA-N 1 0 298.364 2.294 20 5 CEBDRO CCOCC[N@H+](CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000931259598 628490843 /nfs/dbraw/zinc/49/08/43/628490843.db2.gz QNDJTCMASJFKGX-OAHLLOKOSA-N 1 0 278.352 2.289 20 5 CEBDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902472462 634664564 /nfs/dbraw/zinc/66/45/64/634664564.db2.gz AFJDVVXLONOTRQ-QIRAZROLSA-N 1 0 261.325 2.138 20 5 CEBDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464561 634683205 /nfs/dbraw/zinc/68/32/05/634683205.db2.gz AFJDVVXLONOTRQ-BNQQVVLKSA-N 1 0 261.325 2.138 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925826120 628906078 /nfs/dbraw/zinc/90/60/78/628906078.db2.gz LZAVDKMQHARWRZ-BZPMIXESSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000841693788 628924413 /nfs/dbraw/zinc/92/44/13/628924413.db2.gz VMRSJMFIABNIRV-NGZCFLSTSA-N 1 0 252.318 2.034 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261650387 628960891 /nfs/dbraw/zinc/96/08/91/628960891.db2.gz BAQWOWPLOPXOMQ-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@H](NC[C@@H]1CCCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000902482445 634699845 /nfs/dbraw/zinc/69/98/45/634699845.db2.gz LFVURQYTPAMUBR-AAEUAGOBSA-N 1 0 292.383 2.360 20 5 CEBDRO CCc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237138668 629396681 /nfs/dbraw/zinc/39/66/81/629396681.db2.gz HOTXZZDKVGUALV-UHFFFAOYSA-N 1 0 291.351 2.157 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCCCF)c1[N+](=O)[O-] ZINC000894563417 629533596 /nfs/dbraw/zinc/53/35/96/629533596.db2.gz HMBRXSXCBKJVQR-UHFFFAOYSA-N 1 0 272.276 2.148 20 5 CEBDRO Cc1cc(NC(=O)NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000821566221 634753994 /nfs/dbraw/zinc/75/39/94/634753994.db2.gz VVHLCOIKCGBZEF-JTQLQIEISA-N 1 0 294.355 2.222 20 5 CEBDRO CC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895119852 629922725 /nfs/dbraw/zinc/92/27/25/629922725.db2.gz IEIWGTIZHGOHQC-WMADIVHISA-N 1 0 292.335 2.397 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccncc1N)c1ccccc1[N+](=O)[O-] ZINC000902670768 634776471 /nfs/dbraw/zinc/77/64/71/634776471.db2.gz DVUZCDCWUXZHKV-NSHDSACASA-N 1 0 286.335 2.465 20 5 CEBDRO Cc1nc(N2CC[C@@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895323865 630110739 /nfs/dbraw/zinc/11/07/39/630110739.db2.gz AKCFYWJUEOUVBS-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000895434252 630182768 /nfs/dbraw/zinc/18/27/68/630182768.db2.gz UKOSZLWRDBFAAV-MWLCHTKSSA-N 1 0 278.308 2.151 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737758 630327083 /nfs/dbraw/zinc/32/70/83/630327083.db2.gz YHZVTOUWEPZJDJ-NXEZZACHSA-N 1 0 295.339 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+](C)C)c1C ZINC000896708975 630645365 /nfs/dbraw/zinc/64/53/65/630645365.db2.gz XULFKQYKUMTWLK-LLVKDONJSA-N 1 0 293.367 2.282 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801539514 631285348 /nfs/dbraw/zinc/28/53/48/631285348.db2.gz HYPJHKFLXMXIRY-GFCCVEGCSA-N 1 0 296.298 2.165 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(C)(C)C[NH+](C)C ZINC000897419755 631338162 /nfs/dbraw/zinc/33/81/62/631338162.db2.gz QWNPEVGIORBHQI-UHFFFAOYSA-N 1 0 297.403 2.144 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804424878 631680779 /nfs/dbraw/zinc/68/07/79/631680779.db2.gz PECPUILDEQNKHP-UHFFFAOYSA-N 1 0 282.300 2.303 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011767 631727573 /nfs/dbraw/zinc/72/75/73/631727573.db2.gz VGWRBWRLHDHDJU-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011751 631727928 /nfs/dbraw/zinc/72/79/28/631727928.db2.gz UQBGGSVFJYUNSM-VIFPVBQESA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897807890 631924509 /nfs/dbraw/zinc/92/45/09/631924509.db2.gz AVCXQXMJNOGWNG-RPERQONWSA-N 1 0 288.347 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+](C)C)c1C ZINC000897823848 631932699 /nfs/dbraw/zinc/93/26/99/631932699.db2.gz NCORJKOBKYVFES-SNVBAGLBSA-N 1 0 293.367 2.139 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[NH+]1CCCCCCCC1 ZINC000840135007 631949898 /nfs/dbraw/zinc/94/98/98/631949898.db2.gz WZTXBWMMNLIVLE-UHFFFAOYSA-N 1 0 252.318 2.405 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)nc1 ZINC000809735101 632134384 /nfs/dbraw/zinc/13/43/84/632134384.db2.gz SKMOCXCPWKWEDT-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905048257 635788375 /nfs/dbraw/zinc/78/83/75/635788375.db2.gz CHGLJFKKCPCLHU-NSHDSACASA-N 1 0 252.314 2.468 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000041678266 632443330 /nfs/dbraw/zinc/44/33/30/632443330.db2.gz CKGGFXREXKMQRM-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000898384692 632475302 /nfs/dbraw/zinc/47/53/02/632475302.db2.gz CSXJROLUHIMMII-IRXDYDNUSA-N 1 0 298.342 2.385 20 5 CEBDRO COc1c(O)ccc(CNC/C=C\Cl)c1[N+](=O)[O-] ZINC000898430291 632492879 /nfs/dbraw/zinc/49/28/79/632492879.db2.gz XZSUJUOTPSEKRQ-DJWKRKHSSA-N 1 0 272.688 2.151 20 5 CEBDRO COc1ccc([C@H](C)CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905140699 635843417 /nfs/dbraw/zinc/84/34/17/635843417.db2.gz VJDHMJWGMMSQLS-LLVKDONJSA-N 1 0 252.314 2.055 20 5 CEBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000815183414 632977549 /nfs/dbraw/zinc/97/75/49/632977549.db2.gz VXOILBSSJWLITC-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO COC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589181 633035736 /nfs/dbraw/zinc/03/57/36/633035736.db2.gz KMPPFVOVXATZGT-VIFPVBQESA-N 1 0 267.329 2.253 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000899875962 633068265 /nfs/dbraw/zinc/06/82/65/633068265.db2.gz LHTIYVDNZHJPIE-KGLIPLIRSA-N 1 0 264.325 2.021 20 5 CEBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000817906910 633765903 /nfs/dbraw/zinc/76/59/03/633765903.db2.gz GTZNXPRAALOOKJ-ZANVPECISA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818967228 634019546 /nfs/dbraw/zinc/01/95/46/634019546.db2.gz ZQVGSQAZNGWROY-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC=CCC2)c1 ZINC000819088474 634065337 /nfs/dbraw/zinc/06/53/37/634065337.db2.gz SMAYACRBBLOJJQ-JSGCOSHPSA-N 1 0 262.309 2.327 20 5 CEBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819137634 634080166 /nfs/dbraw/zinc/08/01/66/634080166.db2.gz GEYULKRHHRHVSX-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO CSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819272235 634123978 /nfs/dbraw/zinc/12/39/78/634123978.db2.gz PGCLGTMCZJZLPM-LBPRGKRZSA-N 1 0 282.365 2.113 20 5 CEBDRO CCSCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819291014 634130057 /nfs/dbraw/zinc/13/00/57/634130057.db2.gz POAVADWUOSZKDZ-ZDUSSCGKSA-N 1 0 284.381 2.361 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1OC(=O)CC[NH2+]C(C)(C)C ZINC000901473215 634138917 /nfs/dbraw/zinc/13/89/17/634138917.db2.gz SWWFUCZKPRMKIP-UHFFFAOYSA-N 1 0 296.323 2.287 20 5 CEBDRO CC[C@H](C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819341486 634146080 /nfs/dbraw/zinc/14/60/80/634146080.db2.gz QOCNDSQOEKLKMA-TUKIKUTGSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819361788 634155244 /nfs/dbraw/zinc/15/52/44/634155244.db2.gz SCYOLXIGAAMFAU-CFVMTHIKSA-N 1 0 294.351 2.174 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000819367938 634157888 /nfs/dbraw/zinc/15/78/88/634157888.db2.gz LVJALXMYRDSFOK-SUZMYJTESA-N 1 0 282.365 2.112 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000819371366 634159875 /nfs/dbraw/zinc/15/98/75/634159875.db2.gz JCOCAIXJQPCYAH-NLRBGTRBSA-N 1 0 294.351 2.031 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1O ZINC000249154087 634332074 /nfs/dbraw/zinc/33/20/74/634332074.db2.gz ZNQJYVXNGNYONI-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056189 634948238 /nfs/dbraw/zinc/94/82/38/634948238.db2.gz RIOYOQFVTLXCHI-GXFFZTMASA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903076622 634958011 /nfs/dbraw/zinc/95/80/11/634958011.db2.gz SPTBPSPELOGEEY-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903098991 634968641 /nfs/dbraw/zinc/96/86/41/634968641.db2.gz WUUDGONYQFPKRQ-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1ccc(-c2noc(C[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000822723352 634981563 /nfs/dbraw/zinc/98/15/63/634981563.db2.gz USLKSNWPGJKDCB-SNVBAGLBSA-N 1 0 288.307 2.105 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822726912 634982334 /nfs/dbraw/zinc/98/23/34/634982334.db2.gz VUWFYQFZKGUCLK-CHWSQXEVSA-N 1 0 299.415 2.059 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(CCO)CC2)cc([N+](=O)[O-])c1 ZINC000903153820 634991786 /nfs/dbraw/zinc/99/17/86/634991786.db2.gz OCWAPWPZDWEVJE-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](C)c1cnnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246179 635027426 /nfs/dbraw/zinc/02/74/26/635027426.db2.gz RVUVQMGTQLINAP-QWRGUYRKSA-N 1 0 289.339 2.178 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286826 635050491 /nfs/dbraw/zinc/05/04/91/635050491.db2.gz HPOIAWUUIMIMIF-GYSYKLTISA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C ZINC000903325395 635055993 /nfs/dbraw/zinc/05/59/93/635055993.db2.gz YXLVXPWNNFQTAV-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO CCCC[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823222525 635103898 /nfs/dbraw/zinc/10/38/98/635103898.db2.gz LZIIOGZCQNTWAS-UHFFFAOYSA-N 1 0 299.415 2.203 20 5 CEBDRO Cc1cc(-c2noc([C@H]3CC[NH2+][C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000823269621 635119406 /nfs/dbraw/zinc/11/94/06/635119406.db2.gz JJTTXVINXSXRNT-CABZTGNLSA-N 1 0 288.307 2.419 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903799097 635276155 /nfs/dbraw/zinc/27/61/55/635276155.db2.gz QOCXAPIYVLQKKW-WFASDCNBSA-N 1 0 293.342 2.437 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000903821665 635290309 /nfs/dbraw/zinc/29/03/09/635290309.db2.gz PAETZIQIWSIQAG-LBPRGKRZSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1cnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000824080704 635341625 /nfs/dbraw/zinc/34/16/25/635341625.db2.gz JKVQUMSMFNJSBE-GFCCVEGCSA-N 1 0 293.348 2.183 20 5 CEBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1Cl ZINC000905152344 635831623 /nfs/dbraw/zinc/83/16/23/635831623.db2.gz BLRWUPTXWNUKCQ-JTQLQIEISA-N 1 0 272.732 2.364 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000905246684 636170675 /nfs/dbraw/zinc/17/06/75/636170675.db2.gz FLNKNEHCASHQCX-YPMHNXCESA-N 1 0 252.289 2.328 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CC1 ZINC000826990511 636180155 /nfs/dbraw/zinc/18/01/55/636180155.db2.gz HPDURXZYFZESRS-SECBINFHSA-N 1 0 284.743 2.499 20 5 CEBDRO CN1CC(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827125438 636224866 /nfs/dbraw/zinc/22/48/66/636224866.db2.gz KQYGEALJGYIGDP-UHFFFAOYSA-N 1 0 283.759 2.242 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828041221 636492608 /nfs/dbraw/zinc/49/26/08/636492608.db2.gz QFOUHPHGXLOYFQ-GFCCVEGCSA-N 1 0 299.415 2.011 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876568929 650334610 /nfs/dbraw/zinc/33/46/10/650334610.db2.gz ULHZBGFEFRFMEY-VIFPVBQESA-N 1 0 299.758 2.205 20 5 CEBDRO C[NH+](C)CCCOC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028079 637847306 /nfs/dbraw/zinc/84/73/06/637847306.db2.gz PIVQIJBSJHQBLZ-UONOGXRCSA-N 1 0 292.335 2.193 20 5 CEBDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182930 638599545 /nfs/dbraw/zinc/59/95/45/638599545.db2.gz LQDXTXMXCPGTGR-GWCFXTLKSA-N 1 0 291.351 2.247 20 5 CEBDRO C[NH+](C)CCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000912593303 638737286 /nfs/dbraw/zinc/73/72/86/638737286.db2.gz XNVXRQJSSVLSOW-UHFFFAOYSA-N 1 0 298.364 2.182 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156592684 639362534 /nfs/dbraw/zinc/36/25/34/639362534.db2.gz BMGAZGZSKYZOGL-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841026969 639620435 /nfs/dbraw/zinc/62/04/35/639620435.db2.gz GKVHURWYQGIWJA-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000841033558 639626830 /nfs/dbraw/zinc/62/68/30/639626830.db2.gz VJCKQFFXHLTNRQ-LLVKDONJSA-N 1 0 283.759 2.337 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1(C)CC1 ZINC000876976637 650515337 /nfs/dbraw/zinc/51/53/37/650515337.db2.gz NMKDXWWJKHBQTP-KPPDAEKUSA-N 1 0 264.329 2.273 20 5 CEBDRO CC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000229621633 639712100 /nfs/dbraw/zinc/71/21/00/639712100.db2.gz WZTVWNUESRDPOH-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173526995 639863089 /nfs/dbraw/zinc/86/30/89/639863089.db2.gz DTEJPRGMPYCSMP-LLVKDONJSA-N 1 0 287.323 2.295 20 5 CEBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877026283 650536704 /nfs/dbraw/zinc/53/67/04/650536704.db2.gz BNEUNEPTOKNDJA-NSHDSACASA-N 1 0 292.257 2.304 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843052093 640255239 /nfs/dbraw/zinc/25/52/39/640255239.db2.gz FZQJUVPKMPBAPT-JTQLQIEISA-N 1 0 283.759 2.290 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)[NH3+] ZINC000843060966 640263869 /nfs/dbraw/zinc/26/38/69/640263869.db2.gz UMXWNWGQJGDTSS-UHFFFAOYSA-N 1 0 271.748 2.417 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000843116041 640286467 /nfs/dbraw/zinc/28/64/67/640286467.db2.gz NLKKEFQQNAGELN-RRFJBIMHSA-N 1 0 296.367 2.013 20 5 CEBDRO Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000843178792 640330364 /nfs/dbraw/zinc/33/03/64/640330364.db2.gz KSDZUVPJDJUOJW-NSHDSACASA-N 1 0 288.307 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)s1 ZINC000843219126 640351365 /nfs/dbraw/zinc/35/13/65/640351365.db2.gz WUODEEJDGDZXDV-QMMMGPOBSA-N 1 0 294.336 2.391 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324259414 640379725 /nfs/dbraw/zinc/37/97/25/640379725.db2.gz CFJULRLDOUKUMU-KBPBESRZSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000153333012 640461739 /nfs/dbraw/zinc/46/17/39/640461739.db2.gz MPVMXLOZUYWTFB-LLVKDONJSA-N 1 0 252.318 2.261 20 5 CEBDRO CC1(C)CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH2+]C1 ZINC000877157647 650601917 /nfs/dbraw/zinc/60/19/17/650601917.db2.gz INHLLUQWYOWQQL-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO CC1(C)CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000877157916 650602058 /nfs/dbraw/zinc/60/20/58/650602058.db2.gz LPGFWRGJDHLTEF-GFCCVEGCSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877173113 650610215 /nfs/dbraw/zinc/61/02/15/650610215.db2.gz YMQRFONEIMULPR-PWSUYJOCSA-N 1 0 299.330 2.310 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000917347716 640877988 /nfs/dbraw/zinc/87/79/88/640877988.db2.gz WGOXLMUEMONHFH-SNVBAGLBSA-N 1 0 253.327 2.176 20 5 CEBDRO Cc1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000847828720 641797779 /nfs/dbraw/zinc/79/77/79/641797779.db2.gz SDQCEEDCCVBDBK-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO CC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCO1 ZINC000848546212 642045909 /nfs/dbraw/zinc/04/59/09/642045909.db2.gz VJORACKEFMIVPO-CYBMUJFWSA-N 1 0 292.335 2.325 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000849331031 642333304 /nfs/dbraw/zinc/33/33/04/642333304.db2.gz IQUBTULAYSESTL-UGFHNGPFSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922725396 643225532 /nfs/dbraw/zinc/22/55/32/643225532.db2.gz YYSNSKGSFMNEQV-YUTCNCBUSA-N 1 0 274.320 2.276 20 5 CEBDRO Cc1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000922800600 643270113 /nfs/dbraw/zinc/27/01/13/643270113.db2.gz ZLCJZBTYYGGGMG-UHFFFAOYSA-N 1 0 292.335 2.146 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CSC1 ZINC000877635235 650826761 /nfs/dbraw/zinc/82/67/61/650826761.db2.gz JVZCRKWUFFMKAR-HWKANZROSA-N 1 0 250.323 2.313 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000852097283 643299332 /nfs/dbraw/zinc/29/93/32/643299332.db2.gz UKWGYVSHGPCXIK-WHOFXGATSA-N 1 0 294.351 2.297 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)cs1 ZINC000923032737 643522512 /nfs/dbraw/zinc/52/25/12/643522512.db2.gz KHFGRFFWAOHEGF-GXFFZTMASA-N 1 0 280.349 2.458 20 5 CEBDRO [NH3+]CC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000923552541 643759101 /nfs/dbraw/zinc/75/91/01/643759101.db2.gz CTDQDMWDVHTQAS-LBPRGKRZSA-N 1 0 298.346 2.442 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877721653 650870207 /nfs/dbraw/zinc/87/02/07/650870207.db2.gz WZIUPMCFPVQONM-UHFFFAOYSA-N 1 0 298.726 2.289 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000877721867 650870004 /nfs/dbraw/zinc/87/00/04/650870004.db2.gz DRRMMBICZORMOF-UHFFFAOYSA-N 1 0 298.726 2.289 20 5 CEBDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C ZINC000853696248 643867839 /nfs/dbraw/zinc/86/78/39/643867839.db2.gz CHRSJQYWEYJYAH-GFCCVEGCSA-N 1 0 293.367 2.442 20 5 CEBDRO C[C@@H]1CO[C@@H](C)CN1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853798365 643903859 /nfs/dbraw/zinc/90/38/59/643903859.db2.gz DNWJBFKHSOHQIQ-MNOVXSKESA-N 1 0 297.330 2.255 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111831583 643966893 /nfs/dbraw/zinc/96/68/93/643966893.db2.gz BSVJKDBLOFDNGW-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@](C)=O ZINC000127157207 651110573 /nfs/dbraw/zinc/11/05/73/651110573.db2.gz KMRSUGCQZLPTQF-FKIZINRSSA-N 1 0 298.408 2.274 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741239 650884717 /nfs/dbraw/zinc/88/47/17/650884717.db2.gz ACWQKXYWGYKCLR-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858501917 645182197 /nfs/dbraw/zinc/18/21/97/645182197.db2.gz FCMZWIYVVFCEER-FZQKWOKYSA-N 1 0 279.340 2.395 20 5 CEBDRO COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521267 645293379 /nfs/dbraw/zinc/29/33/79/645293379.db2.gz LHBIOXXOLSTZDL-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CC1 ZINC000763064803 645498764 /nfs/dbraw/zinc/49/87/64/645498764.db2.gz DPVFEWRFRWKVPG-AWEZNQCLSA-N 1 0 294.351 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859661223 645558919 /nfs/dbraw/zinc/55/89/19/645558919.db2.gz YRORCWOBVOJWGT-SECBINFHSA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000765455062 645771520 /nfs/dbraw/zinc/77/15/20/645771520.db2.gz AFMRDSKLOOSLKW-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC000765770678 645807566 /nfs/dbraw/zinc/80/75/66/645807566.db2.gz PAEVXQADUTZUKO-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862466140 646470791 /nfs/dbraw/zinc/47/07/91/646470791.db2.gz NUICAMRLWYIGPJ-LLVKDONJSA-N 1 0 294.282 2.085 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000771458307 646521384 /nfs/dbraw/zinc/52/13/84/646521384.db2.gz GIVCECDYALEYKI-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)C2CC2)cc1 ZINC000771801104 646552074 /nfs/dbraw/zinc/55/20/74/646552074.db2.gz QCQYCWMFCPYGQL-OAHLLOKOSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[NH+](CC)CCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000772186269 646602823 /nfs/dbraw/zinc/60/28/23/646602823.db2.gz MAKPLRHUQJEPFK-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000772986719 646692764 /nfs/dbraw/zinc/69/27/64/646692764.db2.gz CYQHHTFESVMOHG-IINYFYTJSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000863649226 646776308 /nfs/dbraw/zinc/77/63/08/646776308.db2.gz AXYOFPVWBPITOC-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774162341 646812148 /nfs/dbraw/zinc/81/21/48/646812148.db2.gz HTVCOIZAVBTURI-DOMZBBRYSA-N 1 0 275.352 2.266 20 5 CEBDRO CC1=CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594193 647076933 /nfs/dbraw/zinc/07/69/33/647076933.db2.gz YGWKSJNYFRNHRL-CQSZACIVSA-N 1 0 262.309 2.280 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] ZINC000865694522 647427768 /nfs/dbraw/zinc/42/77/68/647427768.db2.gz UFGLVINZQSICGC-UNPMEBSKSA-N 1 0 288.347 2.416 20 5 CEBDRO Cc1ccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000865998855 647566567 /nfs/dbraw/zinc/56/65/67/647566567.db2.gz UCEMYQOJOZEETH-LBPRGKRZSA-N 1 0 293.367 2.160 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000866209324 647673332 /nfs/dbraw/zinc/67/33/32/647673332.db2.gz QYOHACZPXHFFLM-GHMZBOCLSA-N 1 0 281.381 2.495 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866282960 647716029 /nfs/dbraw/zinc/71/60/29/647716029.db2.gz QFBDPFYUHDLQBL-MNOVXSKESA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866334578 647740293 /nfs/dbraw/zinc/74/02/93/647740293.db2.gz BEKPIAYXZUUZKE-VWYCJHECSA-N 1 0 284.331 2.414 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000866369616 647760163 /nfs/dbraw/zinc/76/01/63/647760163.db2.gz NCZVOPIMTYCTQF-IFUGULHKSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000866376004 647763436 /nfs/dbraw/zinc/76/34/36/647763436.db2.gz ILZYBLYIWTVFTP-NSHDSACASA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000866673767 647864080 /nfs/dbraw/zinc/86/40/80/647864080.db2.gz IFWCHOWGZIVMPG-MWLCHTKSSA-N 1 0 283.759 2.275 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988865 647975860 /nfs/dbraw/zinc/97/58/60/647975860.db2.gz PZDKGKSGSSDTKN-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(C)C[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979877 648009337 /nfs/dbraw/zinc/00/93/37/648009337.db2.gz PPIMSSQDWFEXNE-IAQYHMDHSA-N 1 0 293.367 2.320 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867996368 648015609 /nfs/dbraw/zinc/01/56/09/648015609.db2.gz ZEQLPXVMTRSFBZ-BXUZGUMPSA-N 1 0 293.367 2.139 20 5 CEBDRO C[C@H]([NH2+]CCN1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788808638 648225853 /nfs/dbraw/zinc/22/58/53/648225853.db2.gz YMWJIKOYURXMCQ-LBPRGKRZSA-N 1 0 290.367 2.090 20 5 CEBDRO O=[N+]([O-])CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000791053344 648476525 /nfs/dbraw/zinc/47/65/25/648476525.db2.gz DOWBIJYORTXMKK-UHFFFAOYSA-N 1 0 274.324 2.019 20 5 CEBDRO C[C@H](NC(=O)CC[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869572 648938417 /nfs/dbraw/zinc/93/84/17/648938417.db2.gz ZKHZPLLEZQJDFP-NSHDSACASA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H]([NH2+]CC1(C)COC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034752 649248632 /nfs/dbraw/zinc/24/86/32/649248632.db2.gz ISMQSZSUZRCOMT-VIFPVBQESA-N 1 0 268.288 2.421 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000872043681 649252620 /nfs/dbraw/zinc/25/26/20/649252620.db2.gz KJMULVUASBUPQK-RKDXNWHRSA-N 1 0 297.380 2.231 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1 ZINC000872779011 649485774 /nfs/dbraw/zinc/48/57/74/649485774.db2.gz CIGTYHKUXXKHJE-KBPBESRZSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC([NH+](C)C)C1 ZINC000873135098 649566594 /nfs/dbraw/zinc/56/65/94/649566594.db2.gz WYLYLAXCJMJWKC-UHFFFAOYSA-N 1 0 277.368 2.394 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000873138252 649567659 /nfs/dbraw/zinc/56/76/59/649567659.db2.gz PFJCPCKXPVUHHV-CYBMUJFWSA-N 1 0 278.352 2.401 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873320500 649636951 /nfs/dbraw/zinc/63/69/51/649636951.db2.gz XDBJBQGZIZYCEH-GXTWGEPZSA-N 1 0 290.323 2.001 20 5 CEBDRO COC(=O)C[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000879438060 651304339 /nfs/dbraw/zinc/30/43/39/651304339.db2.gz DZQSEMZRNSEYCN-HNNXBMFYSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880441103 651441855 /nfs/dbraw/zinc/44/18/55/651441855.db2.gz QDOSMYQMNLDBHQ-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@H](C)[NH3+])nn1 ZINC000881365174 651698907 /nfs/dbraw/zinc/69/89/07/651698907.db2.gz NWVCQGOFXOMWPX-UWVGGRQHSA-N 1 0 275.312 2.124 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881751111 651873529 /nfs/dbraw/zinc/87/35/29/651873529.db2.gz CTDDLRYUNMXXIX-JTQLQIEISA-N 1 0 294.286 2.437 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881803056 651887647 /nfs/dbraw/zinc/88/76/47/651887647.db2.gz YFJKRYNQEQZWLT-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881838366 651898486 /nfs/dbraw/zinc/89/84/86/651898486.db2.gz TWASGQWDGJGNIJ-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882035934 651943154 /nfs/dbraw/zinc/94/31/54/651943154.db2.gz RCRUAKGUDHGQBE-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882428712 652067454 /nfs/dbraw/zinc/06/74/54/652067454.db2.gz YAYJCMSNAOMFLX-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883356127 652440693 /nfs/dbraw/zinc/44/06/93/652440693.db2.gz GQOKDKFQVCYGML-SMDDNHRTSA-N 1 0 275.352 2.266 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356954 652441033 /nfs/dbraw/zinc/44/10/33/652441033.db2.gz ZIMFQRPXIIOVDS-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO CC1(C)[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000883442432 652471548 /nfs/dbraw/zinc/47/15/48/652471548.db2.gz LCNQDQUCKKYGTH-NWDGAFQWSA-N 1 0 283.759 2.464 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140307 652725070 /nfs/dbraw/zinc/72/50/70/652725070.db2.gz PCZNWOJPOOAYNN-LBPRGKRZSA-N 1 0 291.351 2.118 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215984038 652963673 /nfs/dbraw/zinc/96/36/73/652963673.db2.gz ORYYRIUGRXQLLL-GXTWGEPZSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1c(C)c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164642621 719210766 /nfs/dbraw/zinc/21/07/66/719210766.db2.gz WUKLWGUWUNEXQP-ZJUUUORDSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1cnc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078629364 721853075 /nfs/dbraw/zinc/85/30/75/721853075.db2.gz BTTRFTIWXFWGML-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265512642 721930846 /nfs/dbraw/zinc/93/08/46/721930846.db2.gz KOCCAHJYDSYTBE-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000696569845 805655451 /nfs/dbraw/zinc/65/54/51/805655451.db2.gz AMCPYGDOSXOZON-LLVKDONJSA-N 1 0 268.288 2.345 20 5 CEBDRO COc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001226581035 805661651 /nfs/dbraw/zinc/66/16/51/805661651.db2.gz IWYZSCNQGKYEHL-XYPYZODXSA-N 1 0 295.339 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c2ccncc21 ZINC001168226271 806421690 /nfs/dbraw/zinc/42/16/90/806421690.db2.gz AQNSOVBBYGWELU-YPMHNXCESA-N 1 0 290.298 2.255 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000704665336 809744441 /nfs/dbraw/zinc/74/44/41/809744441.db2.gz GSQAZHSHHXAICL-WDEREUQCSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)=C(F)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125592129 803131475 /nfs/dbraw/zinc/13/14/75/803131475.db2.gz AKKPFBMKBBRUIR-UHFFFAOYSA-N 1 0 295.314 2.064 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC000724800340 803296795 /nfs/dbraw/zinc/29/67/95/803296795.db2.gz LTJWJOUWUGCHHC-RISCZKNCSA-N 1 0 280.299 2.345 20 5 CEBDRO CCN1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712525040 814763635 /nfs/dbraw/zinc/76/36/35/814763635.db2.gz AZDALVFNOAGSST-MRVPVSSYSA-N 1 0 270.720 2.149 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000892424518 803484189 /nfs/dbraw/zinc/48/41/89/803484189.db2.gz DPFCSVKFRVRGNH-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[NH2+]C3)sc2c1 ZINC001218284615 803576513 /nfs/dbraw/zinc/57/65/13/803576513.db2.gz UAZWTZIYEIDXGE-SECBINFHSA-N 1 0 279.321 2.335 20 5 CEBDRO C[NH2+][C@@H](C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC001117953624 814968455 /nfs/dbraw/zinc/96/84/55/814968455.db2.gz JUJFQLDYUFBDSP-PZBABLGHSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177072 815022898 /nfs/dbraw/zinc/02/28/98/815022898.db2.gz XKPMIMCAKNQVAL-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO CC(C)([NH3+])CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000710690065 805041096 /nfs/dbraw/zinc/04/10/96/805041096.db2.gz QVRBGRJFRMMVEP-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000721776406 805400785 /nfs/dbraw/zinc/40/07/85/805400785.db2.gz MXFZPHILDBMWLX-CYBMUJFWSA-N 1 0 278.352 2.230 20 5 CEBDRO CC1(C)C[C@H](CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)O1 ZINC001168457066 807600694 /nfs/dbraw/zinc/60/06/94/807600694.db2.gz TZJNEFZBIQXDNS-LLVKDONJSA-N 1 0 277.324 2.177 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122268010 807632386 /nfs/dbraw/zinc/63/23/86/807632386.db2.gz UNIAITKNNWBQTH-XHDPSFHLSA-N 1 0 293.367 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122391333 807677234 /nfs/dbraw/zinc/67/72/34/807677234.db2.gz JKPIGHZVGFLBCH-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NC1(c3cccnn3)CC1)C[NH2+]C2 ZINC001168516041 807915174 /nfs/dbraw/zinc/91/51/74/807915174.db2.gz RRAIWJJSVCDSCC-UHFFFAOYSA-N 1 0 297.318 2.089 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC001119947723 815175105 /nfs/dbraw/zinc/17/51/05/815175105.db2.gz FANKIGBSBZBQCN-LBPRGKRZSA-N 1 0 295.387 2.108 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001168600865 808698140 /nfs/dbraw/zinc/69/81/40/808698140.db2.gz GHNSOTITEZERKC-QWRGUYRKSA-N 1 0 298.774 2.350 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001120591200 815242654 /nfs/dbraw/zinc/24/26/54/815242654.db2.gz VBSRHWUBPYOBTA-KBPBESRZSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)OCCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168681373 808958862 /nfs/dbraw/zinc/95/88/62/808958862.db2.gz YPPJUXFIOURZMZ-UHFFFAOYSA-N 1 0 279.340 2.425 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000700626505 809333722 /nfs/dbraw/zinc/33/37/22/809333722.db2.gz YPVHWXGRZAZBBY-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631450 809335034 /nfs/dbraw/zinc/33/50/34/809335034.db2.gz JKUZPLGUTKOUSY-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO O=[N+]([O-])c1ccsc1N[C@@H]1C[NH+]2CCC1CC2 ZINC001120891301 815291499 /nfs/dbraw/zinc/29/14/99/815291499.db2.gz YIWDVQQTQNPPLQ-SECBINFHSA-N 1 0 253.327 2.162 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CSC1 ZINC000702025249 809487776 /nfs/dbraw/zinc/48/77/76/809487776.db2.gz JICKJSJNRNMCBH-UHFFFAOYSA-N 1 0 258.730 2.453 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702049954 809490786 /nfs/dbraw/zinc/49/07/86/809490786.db2.gz NEZWSFOOGWUPPY-MNOVXSKESA-N 1 0 297.742 2.104 20 5 CEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000702062557 809492186 /nfs/dbraw/zinc/49/21/86/809492186.db2.gz IFQQSFCACDEDPO-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702636986 809572055 /nfs/dbraw/zinc/57/20/55/809572055.db2.gz WIFCXYSCRBFQBU-KCJUWKMLSA-N 1 0 269.732 2.170 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000706543986 809834618 /nfs/dbraw/zinc/83/46/18/809834618.db2.gz NTAPVEMWGXBBKC-UWVGGRQHSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000709933160 809976058 /nfs/dbraw/zinc/97/60/58/809976058.db2.gz LKWMRYUTMRCIAZ-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1nn(C[NH+](CC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000115514408 810598400 /nfs/dbraw/zinc/59/84/00/810598400.db2.gz IYIIYSBFGZPLQI-UHFFFAOYSA-N 1 0 278.356 2.488 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167277 815389567 /nfs/dbraw/zinc/38/95/67/815389567.db2.gz STGYACKGGFHCHV-HZMBPMFUSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1cc(-n2cnc(C[NH3+])c2)nc2ccc([N+](=O)[O-])cc12 ZINC001154906202 810772881 /nfs/dbraw/zinc/77/28/81/810772881.db2.gz DLQBYEXRXXITPU-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO Cc1nc(NC[C@@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001155021075 810922575 /nfs/dbraw/zinc/92/25/75/810922575.db2.gz UDLCNGJCSVRROV-PWSUYJOCSA-N 1 0 278.356 2.346 20 5 CEBDRO Cc1nc(NC[C@]2(F)CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001155115797 810984813 /nfs/dbraw/zinc/98/48/13/810984813.db2.gz VOBZUWAXPOQMIA-ZDUSSCGKSA-N 1 0 282.319 2.192 20 5 CEBDRO CCOC(=O)CCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979177 811308710 /nfs/dbraw/zinc/30/87/10/811308710.db2.gz WXYMQFCJINPIQB-CHWSQXEVSA-N 1 0 286.372 2.145 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC001168984866 811311498 /nfs/dbraw/zinc/31/14/98/811311498.db2.gz AUHOUHISEHNKMO-BDAKNGLRSA-N 1 0 254.252 2.364 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC001168984867 811311609 /nfs/dbraw/zinc/31/16/09/811311609.db2.gz AUHOUHISEHNKMO-DTWKUNHWSA-N 1 0 254.252 2.364 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001168958785 811312128 /nfs/dbraw/zinc/31/21/28/811312128.db2.gz PPOKUPGDZNRQER-DGCLKSJQSA-N 1 0 252.289 2.361 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC001168955478 811312158 /nfs/dbraw/zinc/31/21/58/811312158.db2.gz ARURXBABGDFWNC-QWRGUYRKSA-N 1 0 254.355 2.326 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001168955479 811312456 /nfs/dbraw/zinc/31/24/56/811312456.db2.gz ARURXBABGDFWNC-WDEREUQCSA-N 1 0 254.355 2.326 20 5 CEBDRO COc1ccccc1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959567 811314348 /nfs/dbraw/zinc/31/43/48/811314348.db2.gz WTWIBKXLLPJROH-TZMCWYRMSA-N 1 0 278.352 2.273 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnccc2Cl)C1 ZINC001168963057 811315141 /nfs/dbraw/zinc/31/51/41/811315141.db2.gz NPQFVWKKKRCEMA-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO [NH3+]Cc1nc2ccccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964193 811316980 /nfs/dbraw/zinc/31/69/80/811316980.db2.gz RTCTUJPMPXNEOO-WDEREUQCSA-N 1 0 274.324 2.113 20 5 CEBDRO [NH3+]Cc1nc2ccccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964190 811317625 /nfs/dbraw/zinc/31/76/25/811317625.db2.gz RTCTUJPMPXNEOO-GHMZBOCLSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001168965275 811317911 /nfs/dbraw/zinc/31/79/11/811317911.db2.gz YXVOWWIEIITBBZ-OUAUKWLOSA-N 1 0 262.300 2.457 20 5 CEBDRO [NH3+]CCc1nc2ccccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966828 811318675 /nfs/dbraw/zinc/31/86/75/811318675.db2.gz LMDVZYPOKYCNKV-NEPJUHHUSA-N 1 0 288.351 2.155 20 5 CEBDRO CCOC1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999737 811326154 /nfs/dbraw/zinc/32/61/54/811326154.db2.gz UUBLYGCHIRYFQW-ZIHBUVQPSA-N 1 0 270.373 2.369 20 5 CEBDRO CCC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997747 811326164 /nfs/dbraw/zinc/32/61/64/811326164.db2.gz FKEPMJYVJZIQHQ-CHWSQXEVSA-N 1 0 270.373 2.228 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168997754 811327395 /nfs/dbraw/zinc/32/73/95/811327395.db2.gz FKSNNAJBAFUKDU-YIYPIFLZSA-N 1 0 298.383 2.143 20 5 CEBDRO Cn1ncc2c1cccc2C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002015 811328851 /nfs/dbraw/zinc/32/88/51/811328851.db2.gz JDGWTHBUAGAFQD-WCQYABFASA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccncc32)C1 ZINC001169003501 811329756 /nfs/dbraw/zinc/32/97/56/811329756.db2.gz NVFPAANNZRHPRZ-KYOSRNDESA-N 1 0 275.352 2.494 20 5 CEBDRO COc1ccc2c(c1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169006620 811332090 /nfs/dbraw/zinc/33/20/90/811332090.db2.gz IRINQJILLSGLIA-IUODEOHRSA-N 1 0 290.363 2.499 20 5 CEBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@H]12 ZINC001169007585 811332848 /nfs/dbraw/zinc/33/28/48/811332848.db2.gz OIBNIIQAQUOFNJ-CRWXNKLISA-N 1 0 280.368 2.265 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C1 ZINC001169011366 811334111 /nfs/dbraw/zinc/33/41/11/811334111.db2.gz KAOSOZWIVSKGHY-WYUUTHIRSA-N 1 0 274.311 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC001169010599 811334804 /nfs/dbraw/zinc/33/48/04/811334804.db2.gz FAMVSBDWDCDFMR-DGCLKSJQSA-N 1 0 276.336 2.196 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987256 811335697 /nfs/dbraw/zinc/33/56/97/811335697.db2.gz HSVMFNDPLRIYGB-NEPJUHHUSA-N 1 0 282.315 2.369 20 5 CEBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988634 811337735 /nfs/dbraw/zinc/33/77/35/811337735.db2.gz TYBLZDFLIIXXTK-BNOWGMLFSA-N 1 0 278.352 2.358 20 5 CEBDRO C[N@H+](CCOc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027111 811339634 /nfs/dbraw/zinc/33/96/34/811339634.db2.gz PDMLVXXDKHWJIX-KBPBESRZSA-N 1 0 278.352 2.443 20 5 CEBDRO CSC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033001 811344692 /nfs/dbraw/zinc/34/46/92/811344692.db2.gz AWVADLHCMLWKLU-MNOVXSKESA-N 1 0 258.387 2.259 20 5 CEBDRO CC[N@H+](Cc1cccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033638 811345199 /nfs/dbraw/zinc/34/51/99/811345199.db2.gz CRHNTJAKVPZOIE-OCCSQVGLSA-N 1 0 263.341 2.349 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC001169034218 811346501 /nfs/dbraw/zinc/34/65/01/811346501.db2.gz GAHYJVPSNJXDIM-VHDGCEQUSA-N 1 0 275.352 2.316 20 5 CEBDRO CC[N@H+](CCN1CCCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039737 811348679 /nfs/dbraw/zinc/34/86/79/811348679.db2.gz SUWCPEODMKQRAV-CABCVRRESA-N 1 0 283.416 2.240 20 5 CEBDRO CC[N@H+](CCN1CCCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039739 811348801 /nfs/dbraw/zinc/34/88/01/811348801.db2.gz SUWCPEODMKQRAV-HUUCEWRRSA-N 1 0 283.416 2.240 20 5 CEBDRO C[N@H+](Cc1cscn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040362 811350443 /nfs/dbraw/zinc/35/04/43/811350443.db2.gz ZJPOKPIGGHRJLQ-GXSJLCMTSA-N 1 0 255.343 2.020 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001169047918 811357153 /nfs/dbraw/zinc/35/71/53/811357153.db2.gz SNQHVMXQKLZINT-KGLIPLIRSA-N 1 0 282.384 2.324 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001169726284 811627946 /nfs/dbraw/zinc/62/79/46/811627946.db2.gz QESKQBAHANVPSE-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000771287896 811953933 /nfs/dbraw/zinc/95/39/33/811953933.db2.gz NFSMVNPMTHJCCC-NXEZZACHSA-N 1 0 267.304 2.263 20 5 CEBDRO CCOCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294837 812375238 /nfs/dbraw/zinc/37/52/38/812375238.db2.gz DEJVENGGDHBEOU-LLVKDONJSA-N 1 0 282.340 2.161 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC001170299595 812376308 /nfs/dbraw/zinc/37/63/08/812376308.db2.gz VDWSGZJFZQERFD-RISCZKNCSA-N 1 0 296.367 2.141 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccon2)c([N+](=O)[O-])c1 ZINC001170297780 812377091 /nfs/dbraw/zinc/37/70/91/812377091.db2.gz RXDRZJCYSMHOCM-JTQLQIEISA-N 1 0 291.307 2.312 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnco2)c([N+](=O)[O-])c1 ZINC001170308271 812392646 /nfs/dbraw/zinc/39/26/46/812392646.db2.gz MKHGXCSNUKKWPL-JTQLQIEISA-N 1 0 291.307 2.312 20 5 CEBDRO [NH3+][C@@H]1CCCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900338 815539695 /nfs/dbraw/zinc/53/96/95/815539695.db2.gz SMZKUNABBMJUEU-CABCVRRESA-N 1 0 289.379 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccncn1)CC2 ZINC001172899082 815539882 /nfs/dbraw/zinc/53/98/82/815539882.db2.gz LGTHKQVEIHVOSB-AWEZNQCLSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC13COC3)CC2 ZINC001172916096 815543507 /nfs/dbraw/zinc/54/35/07/815543507.db2.gz QPWFCYJPWHXGAN-AWEZNQCLSA-N 1 0 288.347 2.317 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001158348891 812667772 /nfs/dbraw/zinc/66/77/72/812667772.db2.gz MVBNPAIZUUWQDH-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO O=[N+]([O-])c1cccc2nc(N3CCC4(C[NH2+]C4)CC3)ccc21 ZINC001159042477 813194320 /nfs/dbraw/zinc/19/43/20/813194320.db2.gz VQNJUCFHBJMBSZ-UHFFFAOYSA-N 1 0 298.346 2.333 20 5 CEBDRO C[C@@H]([NH3+])CCNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001170887326 813616241 /nfs/dbraw/zinc/61/62/41/813616241.db2.gz SRXFZTSUOGQDTR-ZCFIWIBFSA-N 1 0 285.735 2.065 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001144262045 814005544 /nfs/dbraw/zinc/00/55/44/814005544.db2.gz KTHJPIOMLZFZGZ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@H]3CCCC[NH2+]3)ccc12 ZINC001171326991 814542400 /nfs/dbraw/zinc/54/24/00/814542400.db2.gz BKHZZPRRZCEBMH-SECBINFHSA-N 1 0 275.312 2.025 20 5 CEBDRO Cc1ccc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000714020182 814882335 /nfs/dbraw/zinc/88/23/35/814882335.db2.gz VYGCDFYMCWQTQJ-NSHDSACASA-N 1 0 291.273 2.225 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000714728746 814914347 /nfs/dbraw/zinc/91/43/47/814914347.db2.gz ABHKMPRDQIGYSP-AULYBMBSSA-N 1 0 250.298 2.109 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221139 815625901 /nfs/dbraw/zinc/62/59/01/815625901.db2.gz KJURWJGRFGSKMU-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO COC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220519 815626064 /nfs/dbraw/zinc/62/60/64/815626064.db2.gz FQZWRLWLZPEGRF-GHMZBOCLSA-N 1 0 280.324 2.067 20 5 CEBDRO CCOC(=O)[C@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222776 815628117 /nfs/dbraw/zinc/62/81/17/815628117.db2.gz ZCVITRRJUWZFHR-NEPJUHHUSA-N 1 0 294.351 2.315 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C2CC2)CC1 ZINC001173229369 815631204 /nfs/dbraw/zinc/63/12/04/815631204.db2.gz TVVHKPRHASZTBQ-CYBMUJFWSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC[C@@H]1F ZINC001173230024 815631670 /nfs/dbraw/zinc/63/16/70/815631670.db2.gz PXUDDNQUHDMUCV-BPNCWPANSA-N 1 0 282.315 2.242 20 5 CEBDRO COC[C@H]1CC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232505 815632978 /nfs/dbraw/zinc/63/29/78/815632978.db2.gz BUXFNGDLZUDCTL-SMDDNHRTSA-N 1 0 264.325 2.247 20 5 CEBDRO Cc1cnc(C[NH3+])n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233458 815633026 /nfs/dbraw/zinc/63/30/26/815633026.db2.gz IVNLEIIGAWBKJS-JTQLQIEISA-N 1 0 274.324 2.362 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149434690 816773645 /nfs/dbraw/zinc/77/36/45/816773645.db2.gz BPFYCHDMFPSDEX-IUCAKERBSA-N 1 0 284.747 2.207 20 5 CEBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c[nH+]cn2c1 ZINC001179304334 816847781 /nfs/dbraw/zinc/84/77/81/816847781.db2.gz ORRWXSNWQIQVHW-UHFFFAOYSA-N 1 0 296.286 2.424 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601292117 346814027 /nfs/dbraw/zinc/81/40/27/346814027.db2.gz SEGWFVYHJWLQFA-GMXVVIOVSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)N(C)C ZINC000449088420 282095467 /nfs/dbraw/zinc/09/54/67/282095467.db2.gz IENCGVRCLISDOV-WBMJQRKESA-N 1 0 291.395 2.456 20 5 CEBDRO CC(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000121385485 365560872 /nfs/dbraw/zinc/56/08/72/365560872.db2.gz FCHYGSGSIWTJKB-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1cccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000127728811 187329182 /nfs/dbraw/zinc/32/91/82/187329182.db2.gz OCMFODHCXUQNEQ-ZDUSSCGKSA-N 1 0 293.367 2.349 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000449122402 282108491 /nfs/dbraw/zinc/10/84/91/282108491.db2.gz LGFGKPFSNXHIPP-WCQYABFASA-N 1 0 264.325 2.294 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035120997 361816505 /nfs/dbraw/zinc/81/65/05/361816505.db2.gz NRPRPIGKSDHWBG-VIFPVBQESA-N 1 0 291.311 2.027 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143285 282117371 /nfs/dbraw/zinc/11/73/71/282117371.db2.gz PXAMPHGHGGZZIK-SMDDNHRTSA-N 1 0 266.341 2.132 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323680 346820514 /nfs/dbraw/zinc/82/05/14/346820514.db2.gz DIAIOFJMLRDQBY-CYBMUJFWSA-N 1 0 263.341 2.298 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000601323684 346820684 /nfs/dbraw/zinc/82/06/84/346820684.db2.gz DIAIOFJMLRDQBY-ZDUSSCGKSA-N 1 0 263.341 2.298 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125230342 187175578 /nfs/dbraw/zinc/17/55/78/187175578.db2.gz JWBRSHATNCCOIN-SMDDNHRTSA-N 1 0 264.325 2.188 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335244 346823724 /nfs/dbraw/zinc/82/37/24/346823724.db2.gz RYHQZVZALRYJSQ-FZMZJTMJSA-N 1 0 293.342 2.308 20 5 CEBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000125252023 187176431 /nfs/dbraw/zinc/17/64/31/187176431.db2.gz VJLQIYHMRCGOPK-QPJJXVBHSA-N 1 0 286.335 2.437 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000449194867 282138196 /nfs/dbraw/zinc/13/81/96/282138196.db2.gz PRLSVXLKNGCBFQ-ZDUSSCGKSA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000449205682 282141813 /nfs/dbraw/zinc/14/18/13/282141813.db2.gz OOQOPLIMZFSFNS-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430962 178439633 /nfs/dbraw/zinc/43/96/33/178439633.db2.gz CJNOELQXXMBHDK-JTQLQIEISA-N 1 0 258.705 2.109 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563123 361904800 /nfs/dbraw/zinc/90/48/00/361904800.db2.gz OTYBQHOYAMKUSN-SECBINFHSA-N 1 0 266.326 2.031 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000449239440 282154345 /nfs/dbraw/zinc/15/43/45/282154345.db2.gz JMYRUYVNIVTCPU-XAAFQQQXSA-N 1 0 298.408 2.225 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000449297480 282177222 /nfs/dbraw/zinc/17/72/22/282177222.db2.gz GNJQQIMJBHMDCW-AWEZNQCLSA-N 1 0 289.379 2.377 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449308235 282181841 /nfs/dbraw/zinc/18/18/41/282181841.db2.gz VORSCVXSVDFTSY-NSHDSACASA-N 1 0 293.367 2.334 20 5 CEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000273157943 192060267 /nfs/dbraw/zinc/06/02/67/192060267.db2.gz BETMHLIWWQFPID-LLVKDONJSA-N 1 0 293.367 2.378 20 5 CEBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334954 187233508 /nfs/dbraw/zinc/23/35/08/187233508.db2.gz NUKBKQBXDRKPLK-DGCLKSJQSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000126616482 187251060 /nfs/dbraw/zinc/25/10/60/187251060.db2.gz SXROVKXOCJTJQP-PBWFPOADSA-N 1 0 276.336 2.391 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449431854 282234745 /nfs/dbraw/zinc/23/47/45/282234745.db2.gz ZJBRJZMCDGLMDA-QWRGUYRKSA-N 1 0 270.354 2.249 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027270904 343392284 /nfs/dbraw/zinc/39/22/84/343392284.db2.gz VXVUFYBMOZJZIO-ZDUSSCGKSA-N 1 0 291.351 2.458 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000031825647 343410210 /nfs/dbraw/zinc/41/02/10/343410210.db2.gz MBSBVZGHKARAOE-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449500387 282259843 /nfs/dbraw/zinc/25/98/43/282259843.db2.gz DHOROJHVONHKSZ-HOTGVXAUSA-N 1 0 290.363 2.482 20 5 CEBDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766530 343430627 /nfs/dbraw/zinc/43/06/27/343430627.db2.gz APXYSQTXUNTTLE-ZWNOBZJWSA-N 1 0 279.340 2.145 20 5 CEBDRO Cc1cccc(OCc2nc(C(C)(C)[NH3+])no2)c1[N+](=O)[O-] ZINC000043402671 343463720 /nfs/dbraw/zinc/46/37/20/343463720.db2.gz UYEFKRARVNWMBH-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000043588154 343464937 /nfs/dbraw/zinc/46/49/37/343464937.db2.gz HPUQXGUXYZMBKL-LLVKDONJSA-N 1 0 277.324 2.313 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047145551 343512121 /nfs/dbraw/zinc/51/21/21/343512121.db2.gz QOVOJACOPXFNGB-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000047388310 343515286 /nfs/dbraw/zinc/51/52/86/343515286.db2.gz JHJZGQHVOCFIOJ-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)CC1 ZINC000052819940 343565881 /nfs/dbraw/zinc/56/58/81/343565881.db2.gz ZYCBJNHPAHNQFS-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)CC1 ZINC000052819941 343566161 /nfs/dbraw/zinc/56/61/61/343566161.db2.gz ZYCBJNHPAHNQFS-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601974603 346947914 /nfs/dbraw/zinc/94/79/14/346947914.db2.gz TXRHRJXLYSFJIS-BETUJISGSA-N 1 0 292.335 2.072 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000601973659 346947213 /nfs/dbraw/zinc/94/72/13/346947213.db2.gz IERJKJXXYUNURX-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295049946 199319121 /nfs/dbraw/zinc/31/91/21/199319121.db2.gz NISXYGLPJXGGSK-WDEREUQCSA-N 1 0 274.267 2.089 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC000057854557 343639206 /nfs/dbraw/zinc/63/92/06/343639206.db2.gz ZJQGCFUPTWSGBF-UHFFFAOYSA-N 1 0 275.312 2.097 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000060846754 343663186 /nfs/dbraw/zinc/66/31/86/343663186.db2.gz IYABPQYFDGTEQO-NSHDSACASA-N 1 0 276.296 2.298 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000067636974 343741087 /nfs/dbraw/zinc/74/10/87/343741087.db2.gz ZZJRWISOETXTIX-GFCCVEGCSA-N 1 0 291.351 2.055 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000602070030 346968937 /nfs/dbraw/zinc/96/89/37/346968937.db2.gz HCVUGFRQNZLCBX-FZMZJTMJSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602073496 346969057 /nfs/dbraw/zinc/96/90/57/346969057.db2.gz OWGNDBUIMXATSI-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1c(NC(=O)C[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000602028812 346963965 /nfs/dbraw/zinc/96/39/65/346963965.db2.gz FVLVFUQWNGPBCC-LLVKDONJSA-N 1 0 277.324 2.184 20 5 CEBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072861953 343813597 /nfs/dbraw/zinc/81/35/97/343813597.db2.gz FVIQBLNIILFTNU-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128089485 187351333 /nfs/dbraw/zinc/35/13/33/187351333.db2.gz DNFRDHWUINFVMR-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC1(O)CCC1 ZINC000411689773 529933976 /nfs/dbraw/zinc/93/39/76/529933976.db2.gz GFBYNJCJAITXOL-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449639358 282314776 /nfs/dbraw/zinc/31/47/76/282314776.db2.gz OPBWOERALCDTEQ-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078670885 343960724 /nfs/dbraw/zinc/96/07/24/343960724.db2.gz IUOZMOBWJJJREW-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO C[C@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075036 362331898 /nfs/dbraw/zinc/33/18/98/362331898.db2.gz KZUSTOROGPRAGV-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO C[C@H]([NH2+]CCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000049075132 362332888 /nfs/dbraw/zinc/33/28/88/362332888.db2.gz WEUFUVGQRBIUTB-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000089603276 344126149 /nfs/dbraw/zinc/12/61/49/344126149.db2.gz NRQPLBCWMOLRLX-HNNXBMFYSA-N 1 0 291.351 2.260 20 5 CEBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000090998384 344147810 /nfs/dbraw/zinc/14/78/10/344147810.db2.gz YFJOXDKGOSUABF-UHFFFAOYSA-N 1 0 275.255 2.170 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000093223609 344216896 /nfs/dbraw/zinc/21/68/96/344216896.db2.gz DVASYQHYXCXMDP-UHFFFAOYSA-N 1 0 289.339 2.097 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000092621889 344196321 /nfs/dbraw/zinc/19/63/21/344196321.db2.gz WAEIEXYBEUARQQ-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438860 347033924 /nfs/dbraw/zinc/03/39/24/347033924.db2.gz BNQLWCANKALZIV-ZYHUDNBSSA-N 1 0 266.345 2.339 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602454615 347040690 /nfs/dbraw/zinc/04/06/90/347040690.db2.gz OKNNDTHRJKIWHH-CMPLNLGQSA-N 1 0 264.329 2.093 20 5 CEBDRO COc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111046758 344270420 /nfs/dbraw/zinc/27/04/20/344270420.db2.gz DRXKVPWILPWYME-NSHDSACASA-N 1 0 291.351 2.500 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468123 347044763 /nfs/dbraw/zinc/04/47/63/347044763.db2.gz UGNSTZIXBLFCJI-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@@H](CO)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000121267295 344301638 /nfs/dbraw/zinc/30/16/38/344301638.db2.gz ZIRQJUOMPKKTTA-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H](CO)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530315 344303274 /nfs/dbraw/zinc/30/32/74/344303274.db2.gz WQWXDOJXQRYVHF-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc(OCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122501581 344306357 /nfs/dbraw/zinc/30/63/57/344306357.db2.gz PLXSNDMLSXUSBX-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1OCC[C@H]1CC[NH2+]C1 ZINC000122461829 344306450 /nfs/dbraw/zinc/30/64/50/344306450.db2.gz BCVJRFHOIVQFBP-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122570377 344307101 /nfs/dbraw/zinc/30/71/01/344307101.db2.gz YBWSBCPBVGBNTA-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CCCC1 ZINC000159329187 344454637 /nfs/dbraw/zinc/45/46/37/344454637.db2.gz AGNPEAMKXYXGDU-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000228560560 344560802 /nfs/dbraw/zinc/56/08/02/344560802.db2.gz IHAYGRJDKLNMJE-NSHDSACASA-N 1 0 274.280 2.378 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCCC2)cs1 ZINC000053096690 362480823 /nfs/dbraw/zinc/48/08/23/362480823.db2.gz WRYBFTOHQAZYTF-UHFFFAOYSA-N 1 0 270.354 2.441 20 5 CEBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270854010 344666676 /nfs/dbraw/zinc/66/66/76/344666676.db2.gz HECNASPFVUIOMW-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272392788 344667788 /nfs/dbraw/zinc/66/77/88/344667788.db2.gz YFWRGCZWBCFRPZ-ZBFHGGJFSA-N 1 0 289.379 2.163 20 5 CEBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279676056 344673202 /nfs/dbraw/zinc/67/32/02/344673202.db2.gz DWXCAIZGFKKQQL-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514601 347063613 /nfs/dbraw/zinc/06/36/13/347063613.db2.gz LGSGEMYPDBLKSF-RKDXNWHRSA-N 1 0 261.281 2.482 20 5 CEBDRO COc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000311568249 344734755 /nfs/dbraw/zinc/73/47/55/344734755.db2.gz BKHLNHWZCFXOGH-JTQLQIEISA-N 1 0 267.329 2.274 20 5 CEBDRO CCCN1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148156 344754436 /nfs/dbraw/zinc/75/44/36/344754436.db2.gz CSXAWQBMSDFLBP-CQSZACIVSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000327965696 344754698 /nfs/dbraw/zinc/75/46/98/344754698.db2.gz DTLWPDNXGHUJLU-IUODEOHRSA-N 1 0 278.352 2.278 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000273216516 192076985 /nfs/dbraw/zinc/07/69/85/192076985.db2.gz URZFAMPXTOBWLX-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000602569241 347081687 /nfs/dbraw/zinc/08/16/87/347081687.db2.gz PRKCTIQSSQXIBI-SJORKVTESA-N 1 0 298.342 2.385 20 5 CEBDRO CC[C@@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776077 282362792 /nfs/dbraw/zinc/36/27/92/282362792.db2.gz OCNNNPYLQGXYMN-BMGYJQCNSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305709 344872073 /nfs/dbraw/zinc/87/20/73/344872073.db2.gz KDHWMTGIGNGTCF-OUAUKWLOSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404360351 344879948 /nfs/dbraw/zinc/87/99/48/344879948.db2.gz DXVZSVWCLXGEMM-WCQYABFASA-N 1 0 291.351 2.184 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]12 ZINC000584771358 344984797 /nfs/dbraw/zinc/98/47/97/344984797.db2.gz HLSOZARZJCKJGE-BYCMXARLSA-N 1 0 298.346 2.317 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273241100 192084250 /nfs/dbraw/zinc/08/42/50/192084250.db2.gz YTBLSTJQWNTQEJ-ZDUSSCGKSA-N 1 0 287.323 2.100 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111172 345065946 /nfs/dbraw/zinc/06/59/46/345065946.db2.gz SQDGPLZSLCCWIV-SNVBAGLBSA-N 1 0 298.774 2.209 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111403 345066111 /nfs/dbraw/zinc/06/61/11/345066111.db2.gz IHAMXAKJISOWIZ-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590012833 345109916 /nfs/dbraw/zinc/10/99/16/345109916.db2.gz ZLIZBBQDBSBFLH-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000591442855 345255911 /nfs/dbraw/zinc/25/59/11/345255911.db2.gz BDISTZBBKFJGIR-CHWSQXEVSA-N 1 0 298.346 2.189 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000591275568 345236777 /nfs/dbraw/zinc/23/67/77/345236777.db2.gz DQPBFPDRIFGQEK-ZDUSSCGKSA-N 1 0 263.341 2.135 20 5 CEBDRO CC1(C)CN(c2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC000591444551 345256408 /nfs/dbraw/zinc/25/64/08/345256408.db2.gz PQSJZNZVDDTOLB-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ncccc12 ZINC000591435520 345253078 /nfs/dbraw/zinc/25/30/78/345253078.db2.gz DONXSUPBVJUFKX-TXEJJXNPSA-N 1 0 298.346 2.474 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591436851 345253726 /nfs/dbraw/zinc/25/37/26/345253726.db2.gz BYSNPFMQJCRUOI-NWDGAFQWSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437706 345254365 /nfs/dbraw/zinc/25/43/65/345254365.db2.gz JCKOFIDQCKLARH-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591438185 345254379 /nfs/dbraw/zinc/25/43/79/345254379.db2.gz MPKYNICSMDFLRG-ZYHUDNBSSA-N 1 0 279.315 2.231 20 5 CEBDRO CCOc1cccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591439881 345255099 /nfs/dbraw/zinc/25/50/99/345255099.db2.gz ZMQAOQGPPIQVAT-RYUDHWBXSA-N 1 0 291.351 2.182 20 5 CEBDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577855 345266015 /nfs/dbraw/zinc/26/60/15/345266015.db2.gz IWIASBHJNNYHDC-YPMHNXCESA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581324 345266785 /nfs/dbraw/zinc/26/67/85/345266785.db2.gz PVXKZWBXKNBVRM-ZANVPECISA-N 1 0 263.341 2.254 20 5 CEBDRO Cc1cc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000591593480 345267487 /nfs/dbraw/zinc/26/74/87/345267487.db2.gz JEGILBNXYWSJCU-UHFFFAOYSA-N 1 0 255.343 2.471 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC(C)([NH3+])CC1 ZINC000592431653 345352797 /nfs/dbraw/zinc/35/27/97/345352797.db2.gz VRIVOQMSXMXBJX-UHFFFAOYSA-N 1 0 263.341 2.216 20 5 CEBDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182728 345450361 /nfs/dbraw/zinc/45/03/61/345450361.db2.gz BIBFARNGGUDFIX-IUODEOHRSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592753610 345393143 /nfs/dbraw/zinc/39/31/43/345393143.db2.gz YTCCZIAFUJYFJL-MISXGVKJSA-N 1 0 291.351 2.112 20 5 CEBDRO CN(CC[NH+](C)C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593466595 345492437 /nfs/dbraw/zinc/49/24/37/345492437.db2.gz YZTXPGMDFOUENN-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000127406928 187303357 /nfs/dbraw/zinc/30/33/57/187303357.db2.gz WLLQPZKDXKHNTK-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295113168 199352003 /nfs/dbraw/zinc/35/20/03/199352003.db2.gz XNPXHEQYEYTQNY-RNCFNFMXSA-N 1 0 281.356 2.377 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000593716496 345526368 /nfs/dbraw/zinc/52/63/68/345526368.db2.gz HKKBIGAOALDVRE-SCRDCRAPSA-N 1 0 291.351 2.290 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3c2CCC3)c1 ZINC000593605095 345512027 /nfs/dbraw/zinc/51/20/27/345512027.db2.gz GRPGXOKDVULSKS-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076465 290755944 /nfs/dbraw/zinc/75/59/44/290755944.db2.gz YBRRDPBXTCNHMN-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594427960 345627447 /nfs/dbraw/zinc/62/74/47/345627447.db2.gz YNGLEBCLKPACTQ-SWLSCSKDSA-N 1 0 289.335 2.231 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594514561 345641493 /nfs/dbraw/zinc/64/14/93/345641493.db2.gz LFDUDUWMMDJQBF-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000057994220 362603698 /nfs/dbraw/zinc/60/36/98/362603698.db2.gz ILUDLGAYOXXGJH-ZDUSSCGKSA-N 1 0 277.368 2.416 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCO2)n1 ZINC000595071142 345739218 /nfs/dbraw/zinc/73/92/18/345739218.db2.gz QAONDLKXNZTAEY-XQQFMLRXSA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595233330 345746749 /nfs/dbraw/zinc/74/67/49/345746749.db2.gz MVMOJJVQWBZOHC-UHFFFAOYSA-N 1 0 294.355 2.413 20 5 CEBDRO Cc1c(NC(=O)NCC2([NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000595229877 345746769 /nfs/dbraw/zinc/74/67/69/345746769.db2.gz GSAUWYUUMFVPBR-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000594926876 345705037 /nfs/dbraw/zinc/70/50/37/345705037.db2.gz XBJIJRCUAQXISA-VXGBXAGGSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)[N@H+](CCc1c[nH]nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295687 345756724 /nfs/dbraw/zinc/75/67/24/345756724.db2.gz PCTBWGZHOARUPV-UHFFFAOYSA-N 1 0 289.339 2.166 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)C1CCC1 ZINC000594956320 345715766 /nfs/dbraw/zinc/71/57/66/345715766.db2.gz JGZUXCONPQXESE-VCDPDADVSA-N 1 0 276.336 2.359 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000595003149 345724830 /nfs/dbraw/zinc/72/48/30/345724830.db2.gz FGNRDAYHSYVDDR-NSHDSACASA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000595036770 345732100 /nfs/dbraw/zinc/73/21/00/345732100.db2.gz VZPBREAOQLOXOQ-CMPLNLGQSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595064682 345738244 /nfs/dbraw/zinc/73/82/44/345738244.db2.gz AFEBXJBICZPYSZ-WDEREUQCSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1noc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1[N+](=O)[O-] ZINC000595556221 345812123 /nfs/dbraw/zinc/81/21/23/345812123.db2.gz AVFOTINIKOTLCY-JTQLQIEISA-N 1 0 295.339 2.282 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429138 345781024 /nfs/dbraw/zinc/78/10/24/345781024.db2.gz LZPZTQNAQPPRKR-VHSXEESVSA-N 1 0 298.314 2.411 20 5 CEBDRO Cc1noc(CN2CCC[C@@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444576 345783718 /nfs/dbraw/zinc/78/37/18/345783718.db2.gz BLTBZAQPQZCVJU-GFCCVEGCSA-N 1 0 295.339 2.282 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456515 345787693 /nfs/dbraw/zinc/78/76/93/345787693.db2.gz YZPLZQRVHLSCAX-ZANVPECISA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1noc(C[N@@H+]2CCCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595474902 345791972 /nfs/dbraw/zinc/79/19/72/345791972.db2.gz HYPYXMGCTRFECY-LLVKDONJSA-N 1 0 283.328 2.018 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CCO)CCCC1 ZINC000595508683 345799146 /nfs/dbraw/zinc/79/91/46/345799146.db2.gz IYBUXDFOMQHPEM-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO C[C@@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595734408 345862628 /nfs/dbraw/zinc/86/26/28/345862628.db2.gz ZNVUNUCWRWZQLT-NXEZZACHSA-N 1 0 282.315 2.183 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595828424 345887196 /nfs/dbraw/zinc/88/71/96/345887196.db2.gz DSDULSNQQOUVNU-UONOGXRCSA-N 1 0 276.336 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827859 345887582 /nfs/dbraw/zinc/88/75/82/345887582.db2.gz SUIOJAHTTFNZKR-NEPJUHHUSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595828999 345888482 /nfs/dbraw/zinc/88/84/82/345888482.db2.gz GCMCGLRZODHZSE-STQMWFEESA-N 1 0 292.335 2.072 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595828996 345888745 /nfs/dbraw/zinc/88/87/45/345888745.db2.gz GCMCGLRZODHZSE-CHWSQXEVSA-N 1 0 292.335 2.072 20 5 CEBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000595857597 345899558 /nfs/dbraw/zinc/89/95/58/345899558.db2.gz LZTIINXMMDQPRC-YOGCLGLASA-N 1 0 264.329 2.054 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595873246 345902864 /nfs/dbraw/zinc/90/28/64/345902864.db2.gz KWGCBLJJGUSPHA-RISCZKNCSA-N 1 0 264.325 2.045 20 5 CEBDRO Cc1c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875174 345904096 /nfs/dbraw/zinc/90/40/96/345904096.db2.gz PYVDYYQHMFDQOK-IAQYHMDHSA-N 1 0 278.352 2.354 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595907097 345911163 /nfs/dbraw/zinc/91/11/63/345911163.db2.gz GIZLCIQHIYILLQ-UHFFFAOYSA-N 1 0 298.346 2.412 20 5 CEBDRO CC12CC(C1)C[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000595914460 345912108 /nfs/dbraw/zinc/91/21/08/345912108.db2.gz AMMWIPJEDQSRBG-UHFFFAOYSA-N 1 0 262.309 2.458 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602582193 347088409 /nfs/dbraw/zinc/08/84/09/347088409.db2.gz PHQKGIDQIFJMJT-SNVBAGLBSA-N 1 0 292.257 2.474 20 5 CEBDRO C[NH+](C)CC1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596171108 345958750 /nfs/dbraw/zinc/95/87/50/345958750.db2.gz GLAYVTZDHLLJOH-UHFFFAOYSA-N 1 0 294.355 2.228 20 5 CEBDRO Cc1cc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000596091952 345937680 /nfs/dbraw/zinc/93/76/80/345937680.db2.gz QJINUYKGAORVDN-SECBINFHSA-N 1 0 255.343 2.471 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596118951 345943937 /nfs/dbraw/zinc/94/39/37/345943937.db2.gz HLBWATRIHZCYRB-UHFFFAOYSA-N 1 0 269.370 2.497 20 5 CEBDRO O=c1[nH]ccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596257943 345982916 /nfs/dbraw/zinc/98/29/16/345982916.db2.gz DBJDIDAFGSCVEQ-UHFFFAOYSA-N 1 0 292.339 2.124 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ncc1[N+](=O)[O-] ZINC000596309293 345995960 /nfs/dbraw/zinc/99/59/60/345995960.db2.gz XRDJKMQMPJSYIB-NSHDSACASA-N 1 0 278.356 2.005 20 5 CEBDRO C[NH+](C)CCC[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000596566317 346056793 /nfs/dbraw/zinc/05/67/93/346056793.db2.gz IQGFBDOCUGRCAH-LLVKDONJSA-N 1 0 299.396 2.203 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654008 346072968 /nfs/dbraw/zinc/07/29/68/346072968.db2.gz NJMRREUFFALWLC-MWLCHTKSSA-N 1 0 251.330 2.162 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597231106 346155799 /nfs/dbraw/zinc/15/57/99/346155799.db2.gz NNYLBEHMMNYRHU-ZIAGYGMSSA-N 1 0 276.336 2.372 20 5 CEBDRO C[C@@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295126818 199359006 /nfs/dbraw/zinc/35/90/06/199359006.db2.gz JKAIKUNGMFIDBE-LLVKDONJSA-N 1 0 282.340 2.065 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000597701581 346218736 /nfs/dbraw/zinc/21/87/36/346218736.db2.gz UUUCRRUDTIVYLB-DGCLKSJQSA-N 1 0 291.351 2.068 20 5 CEBDRO CCC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000061030910 362674420 /nfs/dbraw/zinc/67/44/20/362674420.db2.gz XBDVFZDVIBMOHC-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598342495 346331872 /nfs/dbraw/zinc/33/18/72/346331872.db2.gz NWYPFXQJADBLNF-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CN(CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)F ZINC000599022179 346447612 /nfs/dbraw/zinc/44/76/12/346447612.db2.gz IOQRJZFOYLWAOU-XQRVVYSFSA-N 1 0 299.321 2.395 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913207 346433238 /nfs/dbraw/zinc/43/32/38/346433238.db2.gz FEXOBAPMMKLQGG-SECBINFHSA-N 1 0 298.318 2.373 20 5 CEBDRO CC1([NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598915804 346433791 /nfs/dbraw/zinc/43/37/91/346433791.db2.gz PHLCPUAHCJZODQ-UHFFFAOYSA-N 1 0 296.302 2.079 20 5 CEBDRO O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916409 346433864 /nfs/dbraw/zinc/43/38/64/346433864.db2.gz YFYMZWFYJDHBIE-QMMMGPOBSA-N 1 0 298.730 2.122 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093164 346459276 /nfs/dbraw/zinc/45/92/76/346459276.db2.gz PMUUTLQSOASCMV-GAFUQQFSSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000599110491 346461142 /nfs/dbraw/zinc/46/11/42/346461142.db2.gz UMFHURXCPQGKMJ-OCAPTIKFSA-N 1 0 255.343 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000062999687 362739733 /nfs/dbraw/zinc/73/97/33/362739733.db2.gz GJTUMPKYGHDKBX-OAHLLOKOSA-N 1 0 272.304 2.418 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599614963 346546308 /nfs/dbraw/zinc/54/63/08/346546308.db2.gz WSRPFODTZGSSPS-JQWIXIFHSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599622433 346547281 /nfs/dbraw/zinc/54/72/81/346547281.db2.gz DDCGENSZXHUWOU-DYNIEEOBSA-N 1 0 264.325 2.496 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000599625575 346547713 /nfs/dbraw/zinc/54/77/13/346547713.db2.gz NGDPZSWSEDRSQO-OHTBPHCPSA-N 1 0 294.351 2.375 20 5 CEBDRO C/C=C\C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690708 346568624 /nfs/dbraw/zinc/56/86/24/346568624.db2.gz PJZMUESAOFRQPD-ZRMMWKCHSA-N 1 0 278.356 2.470 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600695463 346673364 /nfs/dbraw/zinc/67/33/64/346673364.db2.gz NCFJMMVFONQDMB-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccc([C@H](C)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600710176 346675119 /nfs/dbraw/zinc/67/51/19/346675119.db2.gz QUQRWAZQDJEFCS-LBPRGKRZSA-N 1 0 293.367 2.062 20 5 CEBDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714967 346676601 /nfs/dbraw/zinc/67/66/01/346676601.db2.gz WHYOLIXLEGNYOK-ZLKJLUDKSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715484 346676780 /nfs/dbraw/zinc/67/67/80/346676780.db2.gz YWRDGGOMNNTSMB-GMXVVIOVSA-N 1 0 263.341 2.304 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000601130049 346763315 /nfs/dbraw/zinc/76/33/15/346763315.db2.gz DDGMWLZNXGHTAW-JQWIXIFHSA-N 1 0 294.330 2.049 20 5 CEBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812416 365851655 /nfs/dbraw/zinc/85/16/55/365851655.db2.gz AFRYOVYJMILNAX-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@H](C)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149335 346770111 /nfs/dbraw/zinc/77/01/11/346770111.db2.gz LKIIVONGMIBVAG-SMDDNHRTSA-N 1 0 266.341 2.438 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129370994 365853011 /nfs/dbraw/zinc/85/30/11/365853011.db2.gz RCCOJJGNZJPZJL-MNOVXSKESA-N 1 0 276.340 2.335 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601109681 346755698 /nfs/dbraw/zinc/75/56/98/346755698.db2.gz WUMKOBHXSHQXQL-LLVKDONJSA-N 1 0 298.346 2.214 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635648 347116413 /nfs/dbraw/zinc/11/64/13/347116413.db2.gz AULVEXLDAJDTQW-IUCAKERBSA-N 1 0 292.364 2.455 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602690580 347149035 /nfs/dbraw/zinc/14/90/35/347149035.db2.gz JXVJFOBYVVNSGN-XBXGTLAGSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@@](C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])OC ZINC000602659208 347127680 /nfs/dbraw/zinc/12/76/80/347127680.db2.gz JYCOVWFINHMJAP-AWEZNQCLSA-N 1 0 281.356 2.175 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccoc1 ZINC000602771639 347192132 /nfs/dbraw/zinc/19/21/32/347192132.db2.gz JQNYLKWSJMYYBE-UHFFFAOYSA-N 1 0 278.312 2.215 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000602787520 347198215 /nfs/dbraw/zinc/19/82/15/347198215.db2.gz ZCVDMDDYDWPRBJ-WDEREUQCSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798188 347202547 /nfs/dbraw/zinc/20/25/47/347202547.db2.gz AYJTVPUJIVWLHQ-VHSXEESVSA-N 1 0 254.334 2.124 20 5 CEBDRO CCN(C#N)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803578 347206115 /nfs/dbraw/zinc/20/61/15/347206115.db2.gz CUDGYMPOLYXDCZ-GFCCVEGCSA-N 1 0 276.340 2.357 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000602817071 347211595 /nfs/dbraw/zinc/21/15/95/347211595.db2.gz SBKCOIXLVXRXIQ-WOPDTQHZSA-N 1 0 280.372 2.466 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602744078 347182818 /nfs/dbraw/zinc/18/28/18/347182818.db2.gz OERLUWAGXPMUOU-KWQFWETISA-N 1 0 292.257 2.039 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc[nH]c(=O)c1 ZINC000602827376 347215399 /nfs/dbraw/zinc/21/53/99/347215399.db2.gz ZSKDLBYFPJVXGB-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cs1 ZINC000085978265 179208628 /nfs/dbraw/zinc/20/86/28/179208628.db2.gz OHECHIXXRFLPFW-MNOVXSKESA-N 1 0 270.354 2.297 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000085985268 179211202 /nfs/dbraw/zinc/21/12/02/179211202.db2.gz NGBUOXQQGUFQKD-TZMCWYRMSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH2+]C(C)(C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186999 347303361 /nfs/dbraw/zinc/30/33/61/347303361.db2.gz ZDMATWAXXMCLER-JTQLQIEISA-N 1 0 289.339 2.250 20 5 CEBDRO CC[C@](C)([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217827 347311792 /nfs/dbraw/zinc/31/17/92/347311792.db2.gz KNCZLSZEVSGOBL-HZMBPMFUSA-N 1 0 289.339 2.380 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249314 347321319 /nfs/dbraw/zinc/32/13/19/347321319.db2.gz GQOAILACKKIEDE-GHMZBOCLSA-N 1 0 289.339 2.384 20 5 CEBDRO CN(CCCC[NH+]1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000603422258 347366417 /nfs/dbraw/zinc/36/64/17/347366417.db2.gz DYMHHFMLKFOIJG-UHFFFAOYSA-N 1 0 295.387 2.031 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000603427061 347367856 /nfs/dbraw/zinc/36/78/56/347367856.db2.gz LNQJTLNYKZVVIY-VXGBXAGGSA-N 1 0 266.345 2.350 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C2CCCC2)CC1 ZINC000603848703 347391950 /nfs/dbraw/zinc/39/19/50/347391950.db2.gz XMSFYFXWQOSVKF-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](CC2CC2)CC1 ZINC000603869664 347394119 /nfs/dbraw/zinc/39/41/19/347394119.db2.gz SKIXRKSPYPHEFK-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CCO)CC2)cc1 ZINC000609312194 347634241 /nfs/dbraw/zinc/63/42/41/347634241.db2.gz LQPIEDXGYPQCRI-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000610112027 347660531 /nfs/dbraw/zinc/66/05/31/347660531.db2.gz RFKJKUOYBCNJOD-UHFFFAOYSA-N 1 0 285.369 2.070 20 5 CEBDRO CC[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580952 347693673 /nfs/dbraw/zinc/69/36/73/347693673.db2.gz LAEXKGQLBDIYPW-UHFFFAOYSA-N 1 0 279.296 2.204 20 5 CEBDRO C[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000610656621 347698847 /nfs/dbraw/zinc/69/88/47/347698847.db2.gz WYBFJHHMGKYILO-ZJUUUORDSA-N 1 0 262.313 2.027 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000610664931 347699255 /nfs/dbraw/zinc/69/92/55/347699255.db2.gz FJCVMQMQJWIYDB-ZYHUDNBSSA-N 1 0 266.345 2.268 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000611165835 347746343 /nfs/dbraw/zinc/74/63/43/347746343.db2.gz ZKZHYDQACGGIIE-NSHDSACASA-N 1 0 297.380 2.322 20 5 CEBDRO CC[NH+](CC)CCOCCNc1sccc1[N+](=O)[O-] ZINC000612453154 347889053 /nfs/dbraw/zinc/88/90/53/347889053.db2.gz UYMFCXJPZFBROW-UHFFFAOYSA-N 1 0 287.385 2.427 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568767628 299152052 /nfs/dbraw/zinc/15/20/52/299152052.db2.gz TZBKRRPFMIMQKC-LLVKDONJSA-N 1 0 291.351 2.213 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000087018381 179381290 /nfs/dbraw/zinc/38/12/90/179381290.db2.gz KXBNMDJQMVKFAK-UHFFFAOYSA-N 1 0 258.705 2.109 20 5 CEBDRO CCCN(CC[NH+](CC)CC)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450446321 282614267 /nfs/dbraw/zinc/61/42/67/282614267.db2.gz NGXUGBGFNGHGHP-UHFFFAOYSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1cc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000273993273 192392418 /nfs/dbraw/zinc/39/24/18/192392418.db2.gz RUHJWSBLNLDNEC-UHFFFAOYSA-N 1 0 295.314 2.416 20 5 CEBDRO CC1(C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000619705904 349225617 /nfs/dbraw/zinc/22/56/17/349225617.db2.gz BWJASBKJWFJUCX-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000619567063 349199861 /nfs/dbraw/zinc/19/98/61/349199861.db2.gz MKMVFPBEOBDDRA-LLVKDONJSA-N 1 0 297.380 2.213 20 5 CEBDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513203 179807676 /nfs/dbraw/zinc/80/76/76/179807676.db2.gz ZHOJTJMEKNZZSF-LBPRGKRZSA-N 1 0 293.367 2.331 20 5 CEBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000339635491 215280799 /nfs/dbraw/zinc/28/07/99/215280799.db2.gz ZOCDRZAARTUWRX-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1cc(N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000223908506 539736697 /nfs/dbraw/zinc/73/66/97/539736697.db2.gz QRLJSJOBATWARI-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090517625 179996132 /nfs/dbraw/zinc/99/61/32/179996132.db2.gz FCVIAVXPYBAIQH-NSHDSACASA-N 1 0 291.351 2.019 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847941 180044118 /nfs/dbraw/zinc/04/41/18/180044118.db2.gz XHZBROFGIDSXBJ-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090880822 180052611 /nfs/dbraw/zinc/05/26/11/180052611.db2.gz CZPGZDWZDPMRNI-LBPRGKRZSA-N 1 0 293.367 2.408 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000412066189 233328114 /nfs/dbraw/zinc/32/81/14/233328114.db2.gz DBKXWPKJECYWSO-OCCSQVGLSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000412066186 233328223 /nfs/dbraw/zinc/32/82/23/233328223.db2.gz DBKXWPKJECYWSO-GXTWGEPZSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071889 233329286 /nfs/dbraw/zinc/32/92/86/233329286.db2.gz HAEHHVABVCVDIE-AAEUAGOBSA-N 1 0 264.325 2.188 20 5 CEBDRO CCc1nn(C)c(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000091560448 180191667 /nfs/dbraw/zinc/19/16/67/180191667.db2.gz CQGSGEKSRFLDMY-LLVKDONJSA-N 1 0 295.387 2.177 20 5 CEBDRO CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106408547 186114865 /nfs/dbraw/zinc/11/48/65/186114865.db2.gz HCRHGAWLUKWXIS-LBPRGKRZSA-N 1 0 265.313 2.120 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106879542 186145979 /nfs/dbraw/zinc/14/59/79/186145979.db2.gz ATSQAHQHZOYFEH-ZDUSSCGKSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092457062 180389722 /nfs/dbraw/zinc/38/97/22/180389722.db2.gz IWPMVXUVSUHUDH-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO CC(C)NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130667775 365978256 /nfs/dbraw/zinc/97/82/56/365978256.db2.gz GVLGJMDKKCUICR-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cscn1 ZINC000111626107 186434086 /nfs/dbraw/zinc/43/40/86/186434086.db2.gz MXGXVUFVRBYTLF-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074506 363026794 /nfs/dbraw/zinc/02/67/94/363026794.db2.gz SKIOAHYSDCMWAM-AAEUAGOBSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504496 366059948 /nfs/dbraw/zinc/05/99/48/366059948.db2.gz WVEPGYFLCIRLGH-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+](C)C ZINC000291755746 198082227 /nfs/dbraw/zinc/08/22/27/198082227.db2.gz GCTATWOWZGAUII-LLVKDONJSA-N 1 0 281.356 2.351 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000123627940 187101625 /nfs/dbraw/zinc/10/16/25/187101625.db2.gz HNSQBPRUIZINKD-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072557628 363144740 /nfs/dbraw/zinc/14/47/40/363144740.db2.gz BCEFGRXBRNCOAN-ZDUSSCGKSA-N 1 0 277.324 2.042 20 5 CEBDRO C[C@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000072873075 363174873 /nfs/dbraw/zinc/17/48/73/363174873.db2.gz HDHPUBPMXDPHBN-QWRGUYRKSA-N 1 0 277.324 2.121 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000133468205 187686566 /nfs/dbraw/zinc/68/65/66/187686566.db2.gz OQSKKZMBUUFWES-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535153 191197531 /nfs/dbraw/zinc/19/75/31/191197531.db2.gz SPVGHQNZABCYJA-YPMHNXCESA-N 1 0 291.351 2.255 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292074305 198153905 /nfs/dbraw/zinc/15/39/05/198153905.db2.gz LKYJAXJLJROIET-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292074304 198154242 /nfs/dbraw/zinc/15/42/42/198154242.db2.gz LKYJAXJLJROIET-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000292092680 198160366 /nfs/dbraw/zinc/16/03/66/198160366.db2.gz NMAOXPGJANLXIB-JTQLQIEISA-N 1 0 279.340 2.151 20 5 CEBDRO CC(C)([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000292111946 198167732 /nfs/dbraw/zinc/16/77/32/198167732.db2.gz JCYNNPFHBYKVEU-LLVKDONJSA-N 1 0 292.335 2.373 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000073000353 363191075 /nfs/dbraw/zinc/19/10/75/363191075.db2.gz ZGLLXFLSHUIYNG-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591829 191230889 /nfs/dbraw/zinc/23/08/89/191230889.db2.gz GPVCFIOGVNPMSN-QMTHXVAHSA-N 1 0 261.325 2.489 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000292261009 198221602 /nfs/dbraw/zinc/22/16/02/198221602.db2.gz YOWQAXOHFOSYJU-HNNXBMFYSA-N 1 0 293.342 2.262 20 5 CEBDRO CCCC[N@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154207093 188128967 /nfs/dbraw/zinc/12/89/67/188128967.db2.gz KJXSBAMVMYBGDJ-OAHLLOKOSA-N 1 0 296.367 2.377 20 5 CEBDRO C[NH+](C)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073854692 363258935 /nfs/dbraw/zinc/25/89/35/363258935.db2.gz JYBZEDCXKSKIDC-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC23CCCC3)n1 ZINC000451452249 282994668 /nfs/dbraw/zinc/99/46/68/282994668.db2.gz CZQHXLJCTSHLFO-LLVKDONJSA-N 1 0 264.329 2.104 20 5 CEBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000074136974 363298856 /nfs/dbraw/zinc/29/88/56/363298856.db2.gz YIQQVKXKUGEPFH-AWEZNQCLSA-N 1 0 293.367 2.301 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168131164 188646064 /nfs/dbraw/zinc/64/60/64/188646064.db2.gz DLDZRWNRHOAWAN-BDAKNGLRSA-N 1 0 272.732 2.355 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000133246639 366208177 /nfs/dbraw/zinc/20/81/77/366208177.db2.gz NPWDJFULRJLPMM-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541417 219501447 /nfs/dbraw/zinc/50/14/47/219501447.db2.gz XMSUEMFVIOIFGI-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634580 283059072 /nfs/dbraw/zinc/05/90/72/283059072.db2.gz RUYXKVPKPSOQFL-CORIIIEPSA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@@H](CCn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000272526096 191769533 /nfs/dbraw/zinc/76/95/33/191769533.db2.gz OGELGHFIOLYTFA-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000075757105 363486866 /nfs/dbraw/zinc/48/68/66/363486866.db2.gz MZFFMUWDLHBWHA-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2cccn2)cs1 ZINC000134477282 366327892 /nfs/dbraw/zinc/32/78/92/366327892.db2.gz RDQLWEKUGFUXDJ-UHFFFAOYSA-N 1 0 266.326 2.033 20 5 CEBDRO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355547808 283291799 /nfs/dbraw/zinc/29/17/99/283291799.db2.gz AEIXBDZBSXYAHI-UHFFFAOYSA-N 1 0 254.334 2.196 20 5 CEBDRO Cc1ccc(NC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000414652710 236433148 /nfs/dbraw/zinc/43/31/48/236433148.db2.gz DTKYFBNZEDEPIV-UHFFFAOYSA-N 1 0 294.355 2.352 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000135104179 366396269 /nfs/dbraw/zinc/39/62/69/366396269.db2.gz BGHIPURNSZPAAA-LBPRGKRZSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135209035 366409069 /nfs/dbraw/zinc/40/90/69/366409069.db2.gz PRBANPQFMKZWBA-ZYHUDNBSSA-N 1 0 250.298 2.109 20 5 CEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000577893046 366414197 /nfs/dbraw/zinc/41/41/97/366414197.db2.gz YDVYAEUFUBVPPP-UHFFFAOYSA-N 1 0 296.286 2.173 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000294915981 199245768 /nfs/dbraw/zinc/24/57/68/199245768.db2.gz BERLPXKWVSHYRI-GBIKHYSHSA-N 1 0 250.298 2.250 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135707072 366470644 /nfs/dbraw/zinc/47/06/44/366470644.db2.gz HLNKWZKBSDCOFG-NEPJUHHUSA-N 1 0 293.367 2.406 20 5 CEBDRO CN(Cc1ccc(N)nc1)c1ccc([N+](=O)[O-])cc1F ZINC000135985046 366487326 /nfs/dbraw/zinc/48/73/26/366487326.db2.gz YRAQDCIGOHEZDP-UHFFFAOYSA-N 1 0 276.271 2.348 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000338786867 366522083 /nfs/dbraw/zinc/52/20/83/366522083.db2.gz QFIISZWMFJNVCN-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000417407963 237114582 /nfs/dbraw/zinc/11/45/82/237114582.db2.gz UALWJRGEKJMTKF-COPLHBTASA-N 1 0 264.325 2.467 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCC1 ZINC000579140511 366600869 /nfs/dbraw/zinc/60/08/69/366600869.db2.gz HCGNIAMSBZXWOU-LBPRGKRZSA-N 1 0 262.309 2.087 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081520721 363724486 /nfs/dbraw/zinc/72/44/86/363724486.db2.gz SUPMREOMKMRYFO-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000341967354 216171848 /nfs/dbraw/zinc/17/18/48/216171848.db2.gz LHHLGPGVTWOSAU-OAHLLOKOSA-N 1 0 292.335 2.358 20 5 CEBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000342047774 216200383 /nfs/dbraw/zinc/20/03/83/216200383.db2.gz XKHRCXNRMMJRTH-GFCCVEGCSA-N 1 0 267.304 2.486 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)o2)c1 ZINC000179950843 189229306 /nfs/dbraw/zinc/22/93/06/189229306.db2.gz FOMGTUDZHUYRQI-CYBMUJFWSA-N 1 0 288.303 2.421 20 5 CEBDRO C[C@@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000180186416 189241992 /nfs/dbraw/zinc/24/19/92/189241992.db2.gz ORMWGPSTEBJTDP-YVARQFDVSA-N 1 0 262.309 2.065 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000342242175 216275441 /nfs/dbraw/zinc/27/54/41/216275441.db2.gz IKAXINHISUYOQM-QWHCGFSZSA-N 1 0 278.352 2.483 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCO)CC1 ZINC000339783321 366715876 /nfs/dbraw/zinc/71/58/76/366715876.db2.gz QIZWSLZGSLVVCE-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000153901373 366743761 /nfs/dbraw/zinc/74/37/61/366743761.db2.gz AZXROGKUSMJKGW-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000342364285 216327228 /nfs/dbraw/zinc/32/72/28/216327228.db2.gz VZCFOGAJKQVDCR-MFKMUULPSA-N 1 0 292.339 2.199 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000282244277 283667039 /nfs/dbraw/zinc/66/70/39/283667039.db2.gz QMCNGRFYYRHZKL-ZDUSSCGKSA-N 1 0 290.367 2.242 20 5 CEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183382676 189357565 /nfs/dbraw/zinc/35/75/65/189357565.db2.gz SJMIBQRGWHQNDD-HNNXBMFYSA-N 1 0 292.335 2.288 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301771203 201185466 /nfs/dbraw/zinc/18/54/66/201185466.db2.gz FSHPEXWKCBLHFG-UHFFFAOYSA-N 1 0 285.294 2.405 20 5 CEBDRO CCCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991595 361604649 /nfs/dbraw/zinc/60/46/49/361604649.db2.gz WNKQYTAHEMUUGS-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccccn1 ZINC000020049622 361575463 /nfs/dbraw/zinc/57/54/63/361575463.db2.gz JLPXICANTHVGFO-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000184783221 189395520 /nfs/dbraw/zinc/39/55/20/189395520.db2.gz UGWWLTIUKQUKCJ-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301974539 201282585 /nfs/dbraw/zinc/28/25/85/201282585.db2.gz AYEIQNSKSOIVGL-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302135881 201357430 /nfs/dbraw/zinc/35/74/30/201357430.db2.gz AZGLTBAXRJTJDY-LBPRGKRZSA-N 1 0 293.371 2.451 20 5 CEBDRO C[C@H](CCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000094943894 364310719 /nfs/dbraw/zinc/31/07/19/364310719.db2.gz IKCFLRMBQNPJIY-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158536873 366858991 /nfs/dbraw/zinc/85/89/91/366858991.db2.gz PXGAVPXLLBKHHP-VHSXEESVSA-N 1 0 297.380 2.212 20 5 CEBDRO [NH3+]CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000111832049 364764098 /nfs/dbraw/zinc/76/40/98/364764098.db2.gz DLTMCLRQCANVMB-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000113199064 364874204 /nfs/dbraw/zinc/87/42/04/364874204.db2.gz JILGCNARXCREJZ-NSHDSACASA-N 1 0 295.339 2.182 20 5 CEBDRO CC[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000115572978 365014795 /nfs/dbraw/zinc/01/47/95/365014795.db2.gz HTTKIKGPPPBBMV-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000120171553 365382770 /nfs/dbraw/zinc/38/27/70/365382770.db2.gz LAEAXPJJSZBCAX-YVARQFDVSA-N 1 0 262.309 2.377 20 5 CEBDRO COC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343099961 216657227 /nfs/dbraw/zinc/65/72/27/216657227.db2.gz ADGMHLDSGDEHNI-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1C ZINC000245452441 370822945 /nfs/dbraw/zinc/82/29/45/370822945.db2.gz QIUWFJUXQSGHPW-WDEREUQCSA-N 1 0 277.324 2.406 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000601154591 367215461 /nfs/dbraw/zinc/21/54/61/367215461.db2.gz PMRAZDJMXHPCTF-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO Cc1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000341336643 367290684 /nfs/dbraw/zinc/29/06/84/367290684.db2.gz DWAVWHQHLURYJS-ALCCZGGFSA-N 1 0 286.335 2.440 20 5 CEBDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173358651 367902097 /nfs/dbraw/zinc/90/20/97/367902097.db2.gz QMVYQSNBWNPCMH-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343588294 367902277 /nfs/dbraw/zinc/90/22/77/367902277.db2.gz FWKZEOIIKIBOPP-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc(OCC[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000173921023 367959523 /nfs/dbraw/zinc/95/95/23/367959523.db2.gz WBDYGLZEDGBHJF-UHFFFAOYSA-N 1 0 280.324 2.467 20 5 CEBDRO CC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242206 368001178 /nfs/dbraw/zinc/00/11/78/368001178.db2.gz YTUMFWSWHPYKFL-ZDUSSCGKSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000174432056 368022598 /nfs/dbraw/zinc/02/25/98/368022598.db2.gz FBVFOLJHNRMTHC-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182147857 368528676 /nfs/dbraw/zinc/52/86/76/368528676.db2.gz GAJKOAWTXVOJFZ-NEPJUHHUSA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000346617360 368738066 /nfs/dbraw/zinc/73/80/66/368738066.db2.gz CQMVOBHWSZZINQ-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000348142589 368917048 /nfs/dbraw/zinc/91/70/48/368917048.db2.gz IGYNEEALTFHBDO-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000348314728 368997741 /nfs/dbraw/zinc/99/77/41/368997741.db2.gz ZQDUDPJPUIABQT-SNVBAGLBSA-N 1 0 290.323 2.188 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CC1 ZINC000349010131 369219700 /nfs/dbraw/zinc/21/97/00/369219700.db2.gz QKVINHZBLIFPBA-OCOPJHETSA-N 1 0 276.336 2.359 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000276175146 193233493 /nfs/dbraw/zinc/23/34/93/193233493.db2.gz GLLIRMPGMISRLJ-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410054 369513053 /nfs/dbraw/zinc/51/30/53/369513053.db2.gz NCCIAVGUKCGMDT-NWDGAFQWSA-N 1 0 293.367 2.421 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276311941 193282244 /nfs/dbraw/zinc/28/22/44/193282244.db2.gz ZQVVTDAUDCDITK-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417508 369722618 /nfs/dbraw/zinc/72/26/18/369722618.db2.gz QDPOWFODVDROOJ-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](CCO)CC1CC1 ZINC000352484949 369752800 /nfs/dbraw/zinc/75/28/00/369752800.db2.gz VPUVILQFGXQYTB-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000192464691 369816282 /nfs/dbraw/zinc/81/62/82/369816282.db2.gz UEAWDBAOGWPCMQ-MRVPVSSYSA-N 1 0 272.374 2.440 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000192898298 369869096 /nfs/dbraw/zinc/86/90/96/369869096.db2.gz OMGIIRMSIVGZAQ-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000352814440 369890618 /nfs/dbraw/zinc/89/06/18/369890618.db2.gz GKYQTKCKWOUDNI-WDEREUQCSA-N 1 0 282.365 2.315 20 5 CEBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193142731 369898409 /nfs/dbraw/zinc/89/84/09/369898409.db2.gz NBKIWJVPGMKXNS-JQWIXIFHSA-N 1 0 266.345 2.206 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000193501250 369949297 /nfs/dbraw/zinc/94/92/97/369949297.db2.gz RBZYHPLQXLIEFL-NWDGAFQWSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386479 369936159 /nfs/dbraw/zinc/93/61/59/369936159.db2.gz CJRJGKWFDXQESM-NSHDSACASA-N 1 0 278.356 2.463 20 5 CEBDRO C[C@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000219192659 370221288 /nfs/dbraw/zinc/22/12/88/370221288.db2.gz SWXLKEMZFFTDIB-LBPRGKRZSA-N 1 0 295.408 2.294 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000221449329 370241642 /nfs/dbraw/zinc/24/16/42/370241642.db2.gz HLJCOUVABXNRCN-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000354206267 370260455 /nfs/dbraw/zinc/26/04/55/370260455.db2.gz JTDKUHWHQUQVMC-BZPMIXESSA-N 1 0 294.351 2.065 20 5 CEBDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000223476671 370266790 /nfs/dbraw/zinc/26/67/90/370266790.db2.gz VRCAYHMDXOOMCN-LBPRGKRZSA-N 1 0 295.408 2.294 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000230161291 370442655 /nfs/dbraw/zinc/44/26/55/370442655.db2.gz FYNIMZFPAMZTFF-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000231351232 370478294 /nfs/dbraw/zinc/47/82/94/370478294.db2.gz JSIAZZIYMHPDJD-NSHDSACASA-N 1 0 252.339 2.498 20 5 CEBDRO COc1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000230905106 370470090 /nfs/dbraw/zinc/47/00/90/370470090.db2.gz RIGIJBKJQXLUIC-UHFFFAOYSA-N 1 0 297.380 2.064 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550076 370596763 /nfs/dbraw/zinc/59/67/63/370596763.db2.gz FQXKWKLJUYTCAE-WDEREUQCSA-N 1 0 266.345 2.339 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000236417075 370588196 /nfs/dbraw/zinc/58/81/96/370588196.db2.gz PUXCRIRTNLYHQD-GJZGRUSLSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000236413274 370588681 /nfs/dbraw/zinc/58/86/81/370588681.db2.gz DLACHQGMUQUWKS-LSDHHAIUSA-N 1 0 276.336 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCC1)C1CC1 ZINC000358336086 371019628 /nfs/dbraw/zinc/01/96/28/371019628.db2.gz CDHYVSJTUNJSPQ-HNNXBMFYSA-N 1 0 289.379 2.211 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000248577164 371215781 /nfs/dbraw/zinc/21/57/81/371215781.db2.gz UDYUIQQWFIMOHQ-WOPDTQHZSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252890336 371488330 /nfs/dbraw/zinc/48/83/30/371488330.db2.gz HIPOQPPVUHSXRU-NWDGAFQWSA-N 1 0 295.314 2.009 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251892703 371423065 /nfs/dbraw/zinc/42/30/65/371423065.db2.gz QKNYNJKEYGQIBR-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000359560767 371470379 /nfs/dbraw/zinc/47/03/79/371470379.db2.gz ACMFMPMANFBFFW-GHMZBOCLSA-N 1 0 281.360 2.014 20 5 CEBDRO COc1cc(C[NH2+]CCCCF)c([N+](=O)[O-])cc1OC ZINC000361080779 371640854 /nfs/dbraw/zinc/64/08/54/371640854.db2.gz MAEJNZCXAAJPGX-UHFFFAOYSA-N 1 0 286.303 2.451 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261574836 371657528 /nfs/dbraw/zinc/65/75/28/371657528.db2.gz YININPOLCXWLQM-ZDUSSCGKSA-N 1 0 263.341 2.073 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261820840 371741264 /nfs/dbraw/zinc/74/12/64/371741264.db2.gz TXRYWBDYLVRLPG-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327131 217150916 /nfs/dbraw/zinc/15/09/16/217150916.db2.gz JIEGHMWVPWCXHK-IINYFYTJSA-N 1 0 281.331 2.306 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344386818 217178145 /nfs/dbraw/zinc/17/81/45/217178145.db2.gz SKBLCTOONYMMMU-CQSZACIVSA-N 1 0 280.324 2.120 20 5 CEBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000344385456 217178302 /nfs/dbraw/zinc/17/83/02/217178302.db2.gz PHGVRMHBAYXLEF-CYBMUJFWSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000365337984 372830693 /nfs/dbraw/zinc/83/06/93/372830693.db2.gz RNSPJXJUVQBBHE-TZMCWYRMSA-N 1 0 292.339 2.121 20 5 CEBDRO CCN1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344622542 217251077 /nfs/dbraw/zinc/25/10/77/217251077.db2.gz ZLDWECKZRMWSHY-JSGCOSHPSA-N 1 0 277.368 2.067 20 5 CEBDRO COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1O ZINC000344694121 217278769 /nfs/dbraw/zinc/27/87/69/217278769.db2.gz AUSHBTJIUIGJTE-UHFFFAOYSA-N 1 0 266.297 2.199 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270949238 373029224 /nfs/dbraw/zinc/02/92/24/373029224.db2.gz SOMTVJQHFHTTLL-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000270984837 373047029 /nfs/dbraw/zinc/04/70/29/373047029.db2.gz FOWYECSXEKXUDS-UHFFFAOYSA-N 1 0 266.341 2.498 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271036106 373083794 /nfs/dbraw/zinc/08/37/94/373083794.db2.gz YEMVBXXWVFGFLM-GHMZBOCLSA-N 1 0 292.257 2.386 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[S@](C)=O ZINC000344849996 217332855 /nfs/dbraw/zinc/33/28/55/217332855.db2.gz HABNPLQMQPCLJF-DBBZSVRUSA-N 1 0 296.392 2.356 20 5 CEBDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000289756811 197472045 /nfs/dbraw/zinc/47/20/45/197472045.db2.gz LLWXTVWHIMMPEC-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272113091 373310944 /nfs/dbraw/zinc/31/09/44/373310944.db2.gz NZMNNEKMDKMTRY-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]([NH2+][C@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055345 217398322 /nfs/dbraw/zinc/39/83/22/217398322.db2.gz YQKGEWCTNXFIKS-LOWVWBTDSA-N 1 0 262.309 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261964437 220222249 /nfs/dbraw/zinc/22/22/49/220222249.db2.gz HPSGEKONHKBAFW-CQSZACIVSA-N 1 0 295.770 2.434 20 5 CEBDRO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961307 373735251 /nfs/dbraw/zinc/73/52/51/373735251.db2.gz SMCZYRIPSDJOCJ-OLZOCXBDSA-N 1 0 296.367 2.311 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275191065 374181012 /nfs/dbraw/zinc/18/10/12/374181012.db2.gz OWQYUHBUYQNQOH-JTQLQIEISA-N 1 0 276.296 2.048 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334104526 206014035 /nfs/dbraw/zinc/01/40/35/206014035.db2.gz VZYNADZTFFGBRG-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO CCOc1cc(CN2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000276931144 374349563 /nfs/dbraw/zinc/34/95/63/374349563.db2.gz QVIGEGLOLMBMTD-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000373985394 374461649 /nfs/dbraw/zinc/46/16/49/374461649.db2.gz XLTPTVSUTWEMBX-ZFWWWQNUSA-N 1 0 292.335 2.261 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277911805 374681991 /nfs/dbraw/zinc/68/19/91/374681991.db2.gz PMZDNFDCTBQGHJ-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000376763293 374730807 /nfs/dbraw/zinc/73/08/07/374730807.db2.gz DKULHOQAHDHDJW-ZDUSSCGKSA-N 1 0 290.367 2.242 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C2CC2)C1 ZINC000377217526 374816423 /nfs/dbraw/zinc/81/64/23/374816423.db2.gz ZORXPLDLZFVAGV-OAHLLOKOSA-N 1 0 292.335 2.214 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000377769542 374948294 /nfs/dbraw/zinc/94/82/94/374948294.db2.gz ANYHYGAWDDKNMX-GFCCVEGCSA-N 1 0 286.335 2.273 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378528389 375123478 /nfs/dbraw/zinc/12/34/78/375123478.db2.gz SYTJIRZAQFIDCS-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385608754 375235781 /nfs/dbraw/zinc/23/57/81/375235781.db2.gz DYYOTCAZRFZAFU-DZGCQCFKSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911599 375249784 /nfs/dbraw/zinc/24/97/84/375249784.db2.gz RCAHKWDARZRECY-MWLCHTKSSA-N 1 0 284.743 2.451 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000382433990 375185820 /nfs/dbraw/zinc/18/58/20/375185820.db2.gz TZIGMQBWOLKBDU-LDYMZIIASA-N 1 0 297.742 2.105 20 5 CEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000387683624 375279145 /nfs/dbraw/zinc/27/91/45/375279145.db2.gz STQYVTRMWQYVAI-GFCCVEGCSA-N 1 0 293.367 2.235 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408310341 375449500 /nfs/dbraw/zinc/44/95/00/375449500.db2.gz RKZNIFKJGNMHQN-IJLUTSLNSA-N 1 0 278.356 2.481 20 5 CEBDRO CC(C)(C)n1ncnc1CNCc1csc([N+](=O)[O-])c1 ZINC000282656562 375541196 /nfs/dbraw/zinc/54/11/96/375541196.db2.gz LNTFTWKDZBSRLD-UHFFFAOYSA-N 1 0 295.368 2.293 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000282658549 375542375 /nfs/dbraw/zinc/54/23/75/375542375.db2.gz LRDALJWGDSTSEQ-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937041 375617960 /nfs/dbraw/zinc/61/79/60/375617960.db2.gz YQIXRXFLUGIUQK-GXFFZTMASA-N 1 0 297.330 2.110 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000284045905 375801411 /nfs/dbraw/zinc/80/14/11/375801411.db2.gz KBACGPJMFMQNSP-VWYCJHECSA-N 1 0 281.356 2.235 20 5 CEBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160354 375819423 /nfs/dbraw/zinc/81/94/23/375819423.db2.gz PTBHJBJFRQVCDF-YPMHNXCESA-N 1 0 292.383 2.312 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158075 375819624 /nfs/dbraw/zinc/81/96/24/375819624.db2.gz PQZVDAXCMWVWSV-GXSJLCMTSA-N 1 0 265.313 2.007 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000414610006 375875149 /nfs/dbraw/zinc/87/51/49/375875149.db2.gz ALRLZSZNTXDDNT-ZETCQYMHSA-N 1 0 265.273 2.019 20 5 CEBDRO [NH3+]C1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CCC1 ZINC000414627216 375885970 /nfs/dbraw/zinc/88/59/70/375885970.db2.gz LREGINMYPRJZEH-UHFFFAOYSA-N 1 0 299.290 2.464 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414660033 375906510 /nfs/dbraw/zinc/90/65/10/375906510.db2.gz NWFWGWBHYBLZBP-WDEREUQCSA-N 1 0 292.339 2.165 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000286444372 375955206 /nfs/dbraw/zinc/95/52/06/375955206.db2.gz SUVSMUGYPFHSQQ-UHFFFAOYSA-N 1 0 284.385 2.364 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000414805666 375992020 /nfs/dbraw/zinc/99/20/20/375992020.db2.gz MDOQCMNHCYDOQJ-SMDDNHRTSA-N 1 0 277.368 2.243 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287166889 376163828 /nfs/dbraw/zinc/16/38/28/376163828.db2.gz GUSFFISDQKDDRM-UHFFFAOYSA-N 1 0 295.339 2.136 20 5 CEBDRO C[C@@H](CO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312669 376186322 /nfs/dbraw/zinc/18/63/22/376186322.db2.gz OBLBBPPQUKHIDH-IINYFYTJSA-N 1 0 264.325 2.333 20 5 CEBDRO COc1ncccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000289749323 376481504 /nfs/dbraw/zinc/48/15/04/376481504.db2.gz IDPIOIMGJJOBHC-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO CN(c1nccc2cc([N+](=O)[O-])ccc21)C1CC[NH2+]CC1 ZINC000420142916 376579539 /nfs/dbraw/zinc/57/95/39/376579539.db2.gz VYVGFCRPVRBNFW-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+](C)C)cc1 ZINC000264505810 190114508 /nfs/dbraw/zinc/11/45/08/190114508.db2.gz WNDZLHWGLSBHOC-UHFFFAOYSA-N 1 0 289.339 2.176 20 5 CEBDRO Cc1c(CN(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000420996532 376767644 /nfs/dbraw/zinc/76/76/44/376767644.db2.gz FRUIKMNWMZZIAB-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194465 377107805 /nfs/dbraw/zinc/10/78/05/377107805.db2.gz RNSAOKAOQDXEHK-WCQYABFASA-N 1 0 263.341 2.306 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236260 377155147 /nfs/dbraw/zinc/15/51/47/377155147.db2.gz NVLVRUZHVAIJRK-WCQYABFASA-N 1 0 293.367 2.396 20 5 CEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292678667 377262013 /nfs/dbraw/zinc/26/20/13/377262013.db2.gz DNIZYAQUKJVVEL-HNNXBMFYSA-N 1 0 290.367 2.099 20 5 CEBDRO [NH3+]C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276913 377199816 /nfs/dbraw/zinc/19/98/16/377199816.db2.gz NMFBAZABIWPMPL-LSDHHAIUSA-N 1 0 275.352 2.299 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292867579 377322452 /nfs/dbraw/zinc/32/24/52/377322452.db2.gz BDRMKZFSZYNMMQ-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000564714584 377437067 /nfs/dbraw/zinc/43/70/67/377437067.db2.gz AIJXFMIFUWITAF-UHFFFAOYSA-N 1 0 292.339 2.024 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293282330 377503256 /nfs/dbraw/zinc/50/32/56/377503256.db2.gz CUVVBGGTXVMAJH-JSGCOSHPSA-N 1 0 264.325 2.333 20 5 CEBDRO C[NH+](C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000564904549 377499822 /nfs/dbraw/zinc/49/98/22/377499822.db2.gz NJUBXXZPQGVXNB-UHFFFAOYSA-N 1 0 290.367 2.375 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000332225584 377546255 /nfs/dbraw/zinc/54/62/55/377546255.db2.gz KKEFVGBBXUSXLP-YDHLFZDLSA-N 1 0 276.336 2.188 20 5 CEBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000293618980 377659522 /nfs/dbraw/zinc/65/95/22/377659522.db2.gz BYZRVYGHPPOKKV-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293654052 377681301 /nfs/dbraw/zinc/68/13/01/377681301.db2.gz LBPXLPFAXFXXAA-UHFFFAOYSA-N 1 0 293.367 2.161 20 5 CEBDRO Cn1cc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000265833450 190211084 /nfs/dbraw/zinc/21/10/84/190211084.db2.gz LHEYIANLBODRKM-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293898512 377813998 /nfs/dbraw/zinc/81/39/98/377813998.db2.gz HCCOUGAJPNJARS-SNVBAGLBSA-N 1 0 272.732 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCOC1)CC2 ZINC000438116678 377888425 /nfs/dbraw/zinc/88/84/25/377888425.db2.gz NOTNGDNPQLKACI-LBPRGKRZSA-N 1 0 276.336 2.380 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000266007009 190222514 /nfs/dbraw/zinc/22/25/14/190222514.db2.gz MHRPRGPQBIWLFH-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000295314267 378099189 /nfs/dbraw/zinc/09/91/89/378099189.db2.gz LKGSLHDGKSEWQC-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296218707 378456641 /nfs/dbraw/zinc/45/66/41/378456641.db2.gz DDOPENWLRVKXDZ-LLVKDONJSA-N 1 0 293.371 2.370 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000296223154 378458544 /nfs/dbraw/zinc/45/85/44/378458544.db2.gz CAIGJVYKQYLYAO-CKYFFXLPSA-N 1 0 250.298 2.250 20 5 CEBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1=CC[N@H+](C)CC1 ZINC000450439025 378418350 /nfs/dbraw/zinc/41/83/50/378418350.db2.gz WQAAPQMYLFENDS-JTQLQIEISA-N 1 0 262.313 2.052 20 5 CEBDRO Cc1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450602153 378494540 /nfs/dbraw/zinc/49/45/40/378494540.db2.gz ZXYRCAPWLAQHQG-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO C[C@H](O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604466 378496005 /nfs/dbraw/zinc/49/60/05/378496005.db2.gz WOMZXZJUVPSPHK-NSHDSACASA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000453209538 378828891 /nfs/dbraw/zinc/82/88/91/378828891.db2.gz LPKGYPLYFQKSIC-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245650 378839341 /nfs/dbraw/zinc/83/93/41/378839341.db2.gz HPOIAWUUIMIMIF-COPLHBTASA-N 1 0 263.341 2.196 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337657 378866641 /nfs/dbraw/zinc/86/66/41/378866641.db2.gz ZRIGWMVVYAPXHX-NEPJUHHUSA-N 1 0 291.351 2.175 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000346973339 218074622 /nfs/dbraw/zinc/07/46/22/218074622.db2.gz DDSHWBWGZGDUCH-UHFFFAOYSA-N 1 0 279.340 2.492 20 5 CEBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000299262360 378946839 /nfs/dbraw/zinc/94/68/39/378946839.db2.gz VWALNXGUPATICP-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347109227 218125340 /nfs/dbraw/zinc/12/53/40/218125340.db2.gz MTXNVSSIAGEIKG-NHYWBVRUSA-N 1 0 277.368 2.462 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH2+]CC1 ZINC000347120808 218128787 /nfs/dbraw/zinc/12/87/87/218128787.db2.gz YVQSKOILRWCZQV-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170226 218143583 /nfs/dbraw/zinc/14/35/83/218143583.db2.gz NMMSMRBTHGMXCE-LVDDQXARSA-N 1 0 275.352 2.279 20 5 CEBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278656751 194088172 /nfs/dbraw/zinc/08/81/72/194088172.db2.gz JYIPJOCHQQFMIU-MRVPVSSYSA-N 1 0 260.297 2.359 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000347340288 218194819 /nfs/dbraw/zinc/19/48/19/218194819.db2.gz NVDFGHDUFHHNND-JLHYYAGUSA-N 1 0 275.352 2.246 20 5 CEBDRO Cc1nn(C)c(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000301104387 379195877 /nfs/dbraw/zinc/19/58/77/379195877.db2.gz RPQXMODFZBSYDU-UHFFFAOYSA-N 1 0 295.387 2.312 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000517127866 379345612 /nfs/dbraw/zinc/34/56/12/379345612.db2.gz QHSPHNPDZYHJFX-LLVKDONJSA-N 1 0 292.257 2.040 20 5 CEBDRO Cc1c(CN2CC[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000347595615 218284391 /nfs/dbraw/zinc/28/43/91/218284391.db2.gz GWGWWUCKWRUGKZ-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000302564041 379397747 /nfs/dbraw/zinc/39/77/47/379397747.db2.gz NDRPJLRXNVETBF-CABZTGNLSA-N 1 0 252.339 2.436 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772990 190279584 /nfs/dbraw/zinc/27/95/84/190279584.db2.gz KEFOSBNSPSCILS-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772993 190279881 /nfs/dbraw/zinc/27/98/81/190279881.db2.gz KEFOSBNSPSCILS-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304239156 379534126 /nfs/dbraw/zinc/53/41/26/379534126.db2.gz LGXUDMKKNDYUPO-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C(C)C ZINC000304071206 379520682 /nfs/dbraw/zinc/52/06/82/379520682.db2.gz VLHWEOQZOGHEFZ-OAHLLOKOSA-N 1 0 296.367 2.490 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267061436 190300696 /nfs/dbraw/zinc/30/06/96/190300696.db2.gz TUNIIFBCYGREFD-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000267000587 190296242 /nfs/dbraw/zinc/29/62/42/190296242.db2.gz FLGRVHBHPKCGPN-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000268220547 190387654 /nfs/dbraw/zinc/38/76/54/190387654.db2.gz WQOAXVFSMBPUBI-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO COCCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489391848 380183795 /nfs/dbraw/zinc/18/37/95/380183795.db2.gz ATIKMRBNXLODIP-GXTWGEPZSA-N 1 0 294.351 2.221 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000490045818 380230505 /nfs/dbraw/zinc/23/05/05/380230505.db2.gz HMLUTLBUHAMKJY-CQSZACIVSA-N 1 0 294.351 2.141 20 5 CEBDRO Cn1ccnc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554723511 380791924 /nfs/dbraw/zinc/79/19/24/380791924.db2.gz HQJLOBVJLJSIEV-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO Cc1ccc(C(=O)N2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000555532697 380832153 /nfs/dbraw/zinc/83/21/53/380832153.db2.gz BZHTXJKXYSQMGW-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000289883069 197517038 /nfs/dbraw/zinc/51/70/38/197517038.db2.gz RXWBBMBNETXPMN-GFCCVEGCSA-N 1 0 295.383 2.422 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000269276174 285095099 /nfs/dbraw/zinc/09/50/99/285095099.db2.gz IUSDZHNYJSFOQJ-UHFFFAOYSA-N 1 0 279.315 2.455 20 5 CEBDRO CCCC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353771954 220323005 /nfs/dbraw/zinc/32/30/05/220323005.db2.gz CDCKDEMQUAOQPQ-UHFFFAOYSA-N 1 0 296.323 2.036 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C[C@H](C)O ZINC000350454861 219022884 /nfs/dbraw/zinc/02/28/84/219022884.db2.gz GBJSIKDKBSGRNG-MNOVXSKESA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000408464377 285172753 /nfs/dbraw/zinc/17/27/53/285172753.db2.gz FDCFMEHUDQSQRT-LLVKDONJSA-N 1 0 294.330 2.194 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000413069220 285180683 /nfs/dbraw/zinc/18/06/83/285180683.db2.gz YSHIIHCNCHPHOK-ZJUUUORDSA-N 1 0 280.303 2.168 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093988655 184748729 /nfs/dbraw/zinc/74/87/29/184748729.db2.gz OZYNRGPTNYXMII-UWVGGRQHSA-N 1 0 297.380 2.177 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000094798143 184866499 /nfs/dbraw/zinc/86/64/99/184866499.db2.gz DLGWYSTWRRQSRV-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO CCC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000226249539 130821797 /nfs/dbraw/zinc/82/17/97/130821797.db2.gz UAQTWWPOFMHRPO-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070176742 291995229 /nfs/dbraw/zinc/99/52/29/291995229.db2.gz LYJASWWUDPORIK-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1c(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000261942169 131178837 /nfs/dbraw/zinc/17/88/37/131178837.db2.gz DSXUDKNGFYAODY-WDEREUQCSA-N 1 0 277.324 2.359 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000262617451 131242412 /nfs/dbraw/zinc/24/24/12/131242412.db2.gz HACFPLMYOCXSKA-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[NH2+]CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000263276436 131288182 /nfs/dbraw/zinc/28/81/82/131288182.db2.gz YNKHCBNNIQFGCI-UHFFFAOYSA-N 1 0 293.348 2.101 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000263920673 131361210 /nfs/dbraw/zinc/36/12/10/131361210.db2.gz ORCQUSOWYKITBT-SNVBAGLBSA-N 1 0 297.380 2.131 20 5 CEBDRO Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000300093239 394452846 /nfs/dbraw/zinc/45/28/46/394452846.db2.gz RZPNOGNQHFTKOD-GWCFXTLKSA-N 1 0 263.341 2.467 20 5 CEBDRO C[NH+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026186 394466771 /nfs/dbraw/zinc/46/67/71/394466771.db2.gz TWYJGCVIAVXBMZ-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO Cc1cc(N2CCC(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228453862 394475759 /nfs/dbraw/zinc/47/57/59/394475759.db2.gz AZRRRQDMZPOMEK-UHFFFAOYSA-N 1 0 287.319 2.413 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179816 394498792 /nfs/dbraw/zinc/49/87/92/394498792.db2.gz MZDUWIVVSGDMLW-CYBMUJFWSA-N 1 0 282.315 2.469 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCC2(O)CCC2)c1 ZINC000421374592 394516029 /nfs/dbraw/zinc/51/60/29/394516029.db2.gz OAPHUYHOWYFYIS-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CCCN1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1=O ZINC000421355480 394508884 /nfs/dbraw/zinc/50/88/84/394508884.db2.gz UMKROGBFZQEMFN-JTQLQIEISA-N 1 0 297.380 2.004 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413328038 394527399 /nfs/dbraw/zinc/52/73/99/394527399.db2.gz WSUQEOQBFWEPSG-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561554 394666721 /nfs/dbraw/zinc/66/67/21/394666721.db2.gz XTOVIYQZVVQSEC-MNOVXSKESA-N 1 0 252.314 2.359 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309488 394631274 /nfs/dbraw/zinc/63/12/74/394631274.db2.gz QIWWERSQQTXAQF-NWDGAFQWSA-N 1 0 293.367 2.406 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422723180 394741484 /nfs/dbraw/zinc/74/14/84/394741484.db2.gz ZUDYRWGAUPTUIK-BXUZGUMPSA-N 1 0 293.367 2.224 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(O)C1 ZINC000267294435 394675836 /nfs/dbraw/zinc/67/58/36/394675836.db2.gz AQOWPBIAMKUSRA-GWCFXTLKSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000357008829 394680097 /nfs/dbraw/zinc/68/00/97/394680097.db2.gz VDHQVWHWZVCJJZ-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000358339018 394718181 /nfs/dbraw/zinc/71/81/81/394718181.db2.gz JFFQIUBYNFZRQI-CYBMUJFWSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000269714917 394721208 /nfs/dbraw/zinc/72/12/08/394721208.db2.gz RPNFSUZUUQTEII-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422694213 394724297 /nfs/dbraw/zinc/72/42/97/394724297.db2.gz SPMNQQADXBNYEH-GFCCVEGCSA-N 1 0 291.351 2.083 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414910381 394800106 /nfs/dbraw/zinc/80/01/06/394800106.db2.gz CNYGMAUHVXNFGE-LJXYTEIVSA-N 1 0 275.352 2.196 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414945725 394816432 /nfs/dbraw/zinc/81/64/32/394816432.db2.gz RYXBRMWVYAULTD-TVQRCGJNSA-N 1 0 283.759 2.336 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414968988 394830649 /nfs/dbraw/zinc/83/06/49/394830649.db2.gz YWLMCUMVTVACDN-SMDDNHRTSA-N 1 0 293.367 2.081 20 5 CEBDRO COC[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719690 394834121 /nfs/dbraw/zinc/83/41/21/394834121.db2.gz MCIMRLUEBFQNFB-DZGCQCFKSA-N 1 0 294.351 2.223 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278881246 394837991 /nfs/dbraw/zinc/83/79/91/394837991.db2.gz SOEVOKJTNYNEIT-BYCMXARLSA-N 1 0 294.351 2.439 20 5 CEBDRO COCC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364368917 394893862 /nfs/dbraw/zinc/89/38/62/394893862.db2.gz SLGQZFDHRIFASZ-UHFFFAOYSA-N 1 0 291.351 2.221 20 5 CEBDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570073 394953531 /nfs/dbraw/zinc/95/35/31/394953531.db2.gz WUCXFEHCMKPWOE-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO COCC[N@H+]1[C@H](C)CN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000131920864 394922057 /nfs/dbraw/zinc/92/20/57/394922057.db2.gz RNPNYWGXMYXNIR-BETUJISGSA-N 1 0 293.367 2.140 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480007 394929142 /nfs/dbraw/zinc/92/91/42/394929142.db2.gz VXBSHJNYJOXZMU-ZYHUDNBSSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415424030 394930975 /nfs/dbraw/zinc/93/09/75/394930975.db2.gz ACBSMWVNIURFGQ-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415510802 394940024 /nfs/dbraw/zinc/94/00/24/394940024.db2.gz ZUZLPDOBTRBOFH-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000286504334 395023425 /nfs/dbraw/zinc/02/34/25/395023425.db2.gz YLTYDENLAFAHSQ-OCCSQVGLSA-N 1 0 290.367 2.361 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423681176 394964632 /nfs/dbraw/zinc/96/46/32/394964632.db2.gz NXPCGCCVXHVBMC-BDAKNGLRSA-N 1 0 297.380 2.172 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035044 395070920 /nfs/dbraw/zinc/07/09/20/395070920.db2.gz BQGODCZALMFAKP-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000374036975 395071155 /nfs/dbraw/zinc/07/11/55/395071155.db2.gz JBHLTSGAULPGJG-AWEZNQCLSA-N 1 0 278.352 2.232 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163732434 395084384 /nfs/dbraw/zinc/08/43/84/395084384.db2.gz HQBOCGYFVPHLQE-MNOVXSKESA-N 1 0 292.339 2.043 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375048487 395090001 /nfs/dbraw/zinc/09/00/01/395090001.db2.gz ILXKXVRRVSTXQM-TVQRCGJNSA-N 1 0 297.305 2.403 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375048488 395090384 /nfs/dbraw/zinc/09/03/84/395090384.db2.gz ILXKXVRRVSTXQM-ZANVPECISA-N 1 0 297.305 2.403 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430604326 395164915 /nfs/dbraw/zinc/16/49/15/395164915.db2.gz MTIMCPLNSPOSON-SNVBAGLBSA-N 1 0 267.304 2.047 20 5 CEBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000180826046 395206580 /nfs/dbraw/zinc/20/65/80/395206580.db2.gz MBBRYFGUXIIPFT-SECBINFHSA-N 1 0 260.297 2.477 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292869996 395208043 /nfs/dbraw/zinc/20/80/43/395208043.db2.gz SXSVMVWNQGEFFN-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678359 395281984 /nfs/dbraw/zinc/28/19/84/395281984.db2.gz SHXZWVQWSUDYRK-GXFFZTMASA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H]1C[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358230 395298611 /nfs/dbraw/zinc/29/86/11/395298611.db2.gz DQLGFKROSCVHBZ-RYUDHWBXSA-N 1 0 291.351 2.163 20 5 CEBDRO COCCCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000419383613 395267894 /nfs/dbraw/zinc/26/78/94/395267894.db2.gz LFOLCATYQYKBLF-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420623 395375212 /nfs/dbraw/zinc/37/52/12/395375212.db2.gz YAXCFQZFKLCDQE-QWRGUYRKSA-N 1 0 281.331 2.151 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000192535281 395386556 /nfs/dbraw/zinc/38/65/56/395386556.db2.gz HDWUAALLDZSHTJ-NSHDSACASA-N 1 0 281.360 2.014 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420629160 395393007 /nfs/dbraw/zinc/39/30/07/395393007.db2.gz CAMJAKFIBCEEGD-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420357252 395344702 /nfs/dbraw/zinc/34/47/02/395344702.db2.gz SAPNFQPRSOLFJV-SUNKGSAMSA-N 1 0 263.341 2.386 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955255 395344852 /nfs/dbraw/zinc/34/48/52/395344852.db2.gz SHYUFXCCIKNLAF-VXGBXAGGSA-N 1 0 280.324 2.261 20 5 CEBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412071753 395347736 /nfs/dbraw/zinc/34/77/36/395347736.db2.gz HUNBCJQEDODLGT-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000420365558 395352511 /nfs/dbraw/zinc/35/25/11/395352511.db2.gz LHESKYBVGRRSMO-RULNRJAQSA-N 1 0 281.331 2.210 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000565654217 395479458 /nfs/dbraw/zinc/47/94/58/395479458.db2.gz JBVZPNILVJPAJJ-OAHLLOKOSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000451361726 395610127 /nfs/dbraw/zinc/61/01/27/395610127.db2.gz NWBCTKAPSOOQMM-LLVKDONJSA-N 1 0 282.340 2.065 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000419387184 400568793 /nfs/dbraw/zinc/56/87/93/400568793.db2.gz MYPRZKHYYDBDES-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000221345465 153312808 /nfs/dbraw/zinc/31/28/08/153312808.db2.gz SKVARISTZUAVEB-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000226771960 153336854 /nfs/dbraw/zinc/33/68/54/153336854.db2.gz GGMDLPQXEDGMSU-QMMMGPOBSA-N 1 0 258.347 2.194 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(Cl)c1 ZINC000228104744 153359818 /nfs/dbraw/zinc/35/98/18/153359818.db2.gz SPOAWTOSWUHZQN-MRCXROJRSA-N 1 0 296.754 2.451 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000230316619 153391624 /nfs/dbraw/zinc/39/16/24/153391624.db2.gz BTDIJVXDQGROHS-KBPBESRZSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361558729 292295508 /nfs/dbraw/zinc/29/55/08/292295508.db2.gz YJTJMOPVJJXQIC-ABAIWWIYSA-N 1 0 291.351 2.162 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000261897785 153871172 /nfs/dbraw/zinc/87/11/72/153871172.db2.gz YFDKHIDZBCDAHV-VHODGJRUSA-N 1 0 288.307 2.299 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000261923017 153877324 /nfs/dbraw/zinc/87/73/24/153877324.db2.gz KSSGOMACCRQPMX-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263145391 154025947 /nfs/dbraw/zinc/02/59/47/154025947.db2.gz CQEVGYNATRSXIA-IUODEOHRSA-N 1 0 291.351 2.119 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](O)CC1 ZINC000354748451 154349044 /nfs/dbraw/zinc/34/90/44/154349044.db2.gz QICPKDPRTFPVDM-JHAQOBCDSA-N 1 0 276.336 2.455 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430906 155010075 /nfs/dbraw/zinc/01/00/75/155010075.db2.gz SVRSMIWLJHJCIT-SWLSCSKDSA-N 1 0 294.351 2.359 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363677220 156039564 /nfs/dbraw/zinc/03/95/64/156039564.db2.gz RAYLCZJPWCKXNL-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000368681812 156384812 /nfs/dbraw/zinc/38/48/12/156384812.db2.gz BFBFPCCVYUAKJH-OAHLLOKOSA-N 1 0 278.352 2.435 20 5 CEBDRO CC[C@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670418 156500111 /nfs/dbraw/zinc/50/01/11/156500111.db2.gz MGSLEVJYWCPZQA-NSHDSACASA-N 1 0 266.345 2.474 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000375391288 157091026 /nfs/dbraw/zinc/09/10/26/157091026.db2.gz KVKGKOLBBTUUGS-ZDUSSCGKSA-N 1 0 287.323 2.023 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC1CC([NH+]2CCCCC2)C1 ZINC000376013933 157175197 /nfs/dbraw/zinc/17/51/97/157175197.db2.gz KPDSOYSJEYRINB-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000160139756 162323627 /nfs/dbraw/zinc/32/36/27/162323627.db2.gz WVCXCWJKQLCEQK-UHFFFAOYSA-N 1 0 294.351 2.246 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261621383 162549869 /nfs/dbraw/zinc/54/98/69/162549869.db2.gz AAEYHVAFSZPHQP-QMTHXVAHSA-N 1 0 281.331 2.436 20 5 CEBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000020186488 171050096 /nfs/dbraw/zinc/05/00/96/171050096.db2.gz BUWFCBORNDEFSQ-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000020186490 171050204 /nfs/dbraw/zinc/05/02/04/171050204.db2.gz NWBYSSWJRYIQJL-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000020208250 171071920 /nfs/dbraw/zinc/07/19/20/171071920.db2.gz MJYFAOYSQQNFOA-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1nccn1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351870 196257766 /nfs/dbraw/zinc/25/77/66/196257766.db2.gz PPTHNBSKENVXFM-UHFFFAOYSA-N 1 0 288.351 2.274 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285471929 196294244 /nfs/dbraw/zinc/29/42/44/196294244.db2.gz KOGNKYSBLSVCIA-ONGXEEELSA-N 1 0 270.354 2.419 20 5 CEBDRO CCC[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471737 196295041 /nfs/dbraw/zinc/29/50/41/196295041.db2.gz HOENNODEJBGWLC-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000285606563 196341802 /nfs/dbraw/zinc/34/18/02/196341802.db2.gz CEOCCWJPLGLUGA-VXGBXAGGSA-N 1 0 284.385 2.055 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038096894 174111077 /nfs/dbraw/zinc/11/10/77/174111077.db2.gz SZEKKYJUEYPDIR-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600681 174350875 /nfs/dbraw/zinc/35/08/75/174350875.db2.gz DVTLCESMTYBYNT-LLVKDONJSA-N 1 0 281.331 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCSC2)cc1 ZINC000040675860 174373229 /nfs/dbraw/zinc/37/32/29/174373229.db2.gz RZYSCSHZZBFLNE-LLVKDONJSA-N 1 0 252.339 2.232 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632427 414845169 /nfs/dbraw/zinc/84/51/69/414845169.db2.gz RTGOUSDGAUDLKD-GMSGAONNSA-N 1 0 278.230 2.169 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000046444100 175396100 /nfs/dbraw/zinc/39/61/00/175396100.db2.gz TUJMMVVNOMAXHZ-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359538 175889020 /nfs/dbraw/zinc/88/90/20/175889020.db2.gz VGDZWGAGDFCHMD-DGCLKSJQSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000070479438 175951880 /nfs/dbraw/zinc/95/18/80/175951880.db2.gz IVOWSWUIEJPJPK-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[NH2+]C1 ZINC000071315126 176121660 /nfs/dbraw/zinc/12/16/60/176121660.db2.gz UXZUGNNYNQOXGT-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000071919942 176299886 /nfs/dbraw/zinc/29/98/86/176299886.db2.gz NUOZOEIJMJAWLG-UHFFFAOYSA-N 1 0 294.355 2.367 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000076519758 177032050 /nfs/dbraw/zinc/03/20/50/177032050.db2.gz CFZZAFUBSHLXED-INIZCTEOSA-N 1 0 286.331 2.288 20 5 CEBDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449190454 260287568 /nfs/dbraw/zinc/28/75/68/260287568.db2.gz IVUKMMLTLCCQDJ-MDZLAQPJSA-N 1 0 266.345 2.206 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251101 260315658 /nfs/dbraw/zinc/31/56/58/260315658.db2.gz QTJDRDLRJGYZSS-VPOWOMEUSA-N 1 0 278.352 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccncc2)cc1 ZINC000038079407 270225814 /nfs/dbraw/zinc/22/58/14/270225814.db2.gz ZOPLQYGPZIQGEL-UHFFFAOYSA-N 1 0 273.292 2.158 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000322548080 270335043 /nfs/dbraw/zinc/33/50/43/270335043.db2.gz UYGTZDSFRRCBKG-ZDUSSCGKSA-N 1 0 252.314 2.500 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000397796297 270355073 /nfs/dbraw/zinc/35/50/73/270355073.db2.gz UBRUURXIASZLAN-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000399587658 270371325 /nfs/dbraw/zinc/37/13/25/270371325.db2.gz PMXCKXPIVBLUFI-BXUZGUMPSA-N 1 0 293.367 2.173 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]3O)o2)c1 ZINC000424194044 271030190 /nfs/dbraw/zinc/03/01/90/271030190.db2.gz AGUMTEFRMNCESK-ZIAGYGMSSA-N 1 0 288.303 2.468 20 5 CEBDRO CCC1(CC)[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1OC ZINC000429292610 271319683 /nfs/dbraw/zinc/31/96/83/271319683.db2.gz XJAXRPRZUAQUCR-RYUDHWBXSA-N 1 0 296.371 2.012 20 5 CEBDRO COCC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000275426512 274031269 /nfs/dbraw/zinc/03/12/69/274031269.db2.gz IIMZMAGHRVRKBQ-CYBMUJFWSA-N 1 0 293.367 2.060 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000131785182 274255608 /nfs/dbraw/zinc/25/56/08/274255608.db2.gz TYGHHZPXJZZGGX-MXWKQRLJSA-N 1 0 252.314 2.262 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000344441302 275035980 /nfs/dbraw/zinc/03/59/80/275035980.db2.gz VZGMQTFYTBLKTF-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000150889819 275036172 /nfs/dbraw/zinc/03/61/72/275036172.db2.gz MHOXFUNHEMSVDA-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000413060038 275040694 /nfs/dbraw/zinc/04/06/94/275040694.db2.gz IHDAYQYVACFUMG-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000173503944 276130101 /nfs/dbraw/zinc/13/01/01/276130101.db2.gz FRSNHGFSYIHUPJ-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278058430 276163755 /nfs/dbraw/zinc/16/37/55/276163755.db2.gz UQVQBXLGGDGBIG-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCC1 ZINC000091550300 276722231 /nfs/dbraw/zinc/72/22/31/276722231.db2.gz TVIMANRUSZJSMX-LLVKDONJSA-N 1 0 295.387 2.263 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000078617750 276831982 /nfs/dbraw/zinc/83/19/82/276831982.db2.gz AIAAVVWAIFDVJT-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000020217818 277049794 /nfs/dbraw/zinc/04/97/94/277049794.db2.gz VCKPRSGOWFYOCH-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272178143 277147154 /nfs/dbraw/zinc/14/71/54/277147154.db2.gz JTBBWMCDPAUKKP-YGRLFVJLSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000364308488 277147218 /nfs/dbraw/zinc/14/72/18/277147218.db2.gz OSZBRTMARFCWST-RISCZKNCSA-N 1 0 261.325 2.125 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000287805901 277199167 /nfs/dbraw/zinc/19/91/67/277199167.db2.gz PNZWUTXKZIPSAH-AOOOYVTPSA-N 1 0 281.743 2.246 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000130026856 277599448 /nfs/dbraw/zinc/59/94/48/277599448.db2.gz SUYGIOFWKFJORR-RNCFNFMXSA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070076466 288010795 /nfs/dbraw/zinc/01/07/95/288010795.db2.gz YBRRDPBXTCNHMN-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H](CO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312668 278290624 /nfs/dbraw/zinc/29/06/24/278290624.db2.gz OBLBBPPQUKHIDH-HZMBPMFUSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070176050 278784372 /nfs/dbraw/zinc/78/43/72/278784372.db2.gz NTHIRNNCTBNSFV-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414517554 278964467 /nfs/dbraw/zinc/96/44/67/278964467.db2.gz QSGREODJCCHBGT-NTZNESFSSA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262848343 279037097 /nfs/dbraw/zinc/03/70/97/279037097.db2.gz YYKYOXHTFSLKBQ-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179190489 279292269 /nfs/dbraw/zinc/29/22/69/279292269.db2.gz YCFGNMXRWOQVCU-MRVPVSSYSA-N 1 0 293.348 2.229 20 5 CEBDRO COCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134650963 280027820 /nfs/dbraw/zinc/02/78/20/280027820.db2.gz CSSOAPMAPLXIIM-UHFFFAOYSA-N 1 0 252.314 2.152 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313249534 280106003 /nfs/dbraw/zinc/10/60/03/280106003.db2.gz AWTVYWDEWYXCBI-ZPIQOJFGSA-N 1 0 291.351 2.098 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000422827376 280927191 /nfs/dbraw/zinc/92/71/91/280927191.db2.gz DKBKEXDDWQUXAG-JTQLQIEISA-N 1 0 279.340 2.137 20 5 CEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422828188 280927737 /nfs/dbraw/zinc/92/77/37/280927737.db2.gz NUNRFQKRMPLZRH-SECBINFHSA-N 1 0 293.367 2.105 20 5 CEBDRO COc1ccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946527 280976209 /nfs/dbraw/zinc/97/62/09/280976209.db2.gz OXFJUNAABSTHRA-WCQYABFASA-N 1 0 293.367 2.224 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719055 281082331 /nfs/dbraw/zinc/08/23/31/281082331.db2.gz DWZHZUYKKCWCRG-QWRGUYRKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH2+]CCCN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000424022824 281113200 /nfs/dbraw/zinc/11/32/00/281113200.db2.gz VAMBGRBEGYRUHS-UHFFFAOYSA-N 1 0 293.367 2.400 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424147140 281122477 /nfs/dbraw/zinc/12/24/77/281122477.db2.gz XSTFSJZCQKVUAW-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC23CC3)n1 ZINC000424315817 281148555 /nfs/dbraw/zinc/14/85/55/281148555.db2.gz DVQUQECLRDWQBD-IJLUTSLNSA-N 1 0 276.340 2.417 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000429762423 281253023 /nfs/dbraw/zinc/25/30/23/281253023.db2.gz PUBLHPWGQAEREC-MFKMUULPSA-N 1 0 282.315 2.375 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623488 281270426 /nfs/dbraw/zinc/27/04/26/281270426.db2.gz GXHSSCFCRWXUCK-DOMZBBRYSA-N 1 0 293.367 2.175 20 5 CEBDRO C=Cn1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000447818964 281870308 /nfs/dbraw/zinc/87/03/08/281870308.db2.gz VUBLZBHDIAKOJJ-UHFFFAOYSA-N 1 0 288.307 2.190 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000268178388 289211770 /nfs/dbraw/zinc/21/17/70/289211770.db2.gz MYCLKMLOANPXEB-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000158253360 289230575 /nfs/dbraw/zinc/23/05/75/289230575.db2.gz MZBLVEYWPKEVLY-CHWSQXEVSA-N 1 0 293.367 2.046 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000459450234 290152294 /nfs/dbraw/zinc/15/22/94/290152294.db2.gz UGVTVUATYQWLCP-UHFFFAOYSA-N 1 0 294.742 2.277 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000459784565 290238644 /nfs/dbraw/zinc/23/86/44/290238644.db2.gz XLCOEYMDRRUMAU-OLZOCXBDSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)n1 ZINC000487063958 290330517 /nfs/dbraw/zinc/33/05/17/290330517.db2.gz BCSBGSKXMDHBLP-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491863474 290538900 /nfs/dbraw/zinc/53/89/00/290538900.db2.gz CKMHQEVYCXYVGL-GUOLPTJISA-N 1 0 291.351 2.064 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000044528611 295251532 /nfs/dbraw/zinc/25/15/32/295251532.db2.gz VMBNXBQIBJAMPR-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)c1ncc([N+](=O)[O-])cc1F ZINC000515216559 297567433 /nfs/dbraw/zinc/56/74/33/297567433.db2.gz JFNMRVWFKMBMII-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO C[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000564712288 298841962 /nfs/dbraw/zinc/84/19/62/298841962.db2.gz IDBYSVSIXSFRSF-NWDGAFQWSA-N 1 0 293.367 2.155 20 5 CEBDRO CCC(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565535262 298908454 /nfs/dbraw/zinc/90/84/54/298908454.db2.gz LRPYNQNBQPBIIB-ZDUSSCGKSA-N 1 0 296.367 2.360 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746918 299021209 /nfs/dbraw/zinc/02/12/09/299021209.db2.gz BSEULLNOKGAGME-OCCSQVGLSA-N 1 0 264.325 2.189 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000382485736 321840348 /nfs/dbraw/zinc/84/03/48/321840348.db2.gz ZIZRXAKOHSVJQN-HTQZYQBOSA-N 1 0 270.720 2.325 20 5 CEBDRO CN1CCO[C@@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711412 322337877 /nfs/dbraw/zinc/33/78/77/322337877.db2.gz CWPHKHAXEAKYHW-SNVBAGLBSA-N 1 0 286.328 2.157 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106883390 533843867 /nfs/dbraw/zinc/84/38/67/533843867.db2.gz CGWFJWMYUTVJEQ-GFCCVEGCSA-N 1 0 250.298 2.124 20 5 CEBDRO CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351241 521021586 /nfs/dbraw/zinc/02/15/86/521021586.db2.gz KUEMYSAUQKDUOS-AWEZNQCLSA-N 1 0 264.325 2.360 20 5 CEBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051687 522295281 /nfs/dbraw/zinc/29/52/81/522295281.db2.gz XZRDDKDRWVWSOP-NXEZZACHSA-N 1 0 279.340 2.218 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443398 522573854 /nfs/dbraw/zinc/57/38/54/522573854.db2.gz QPMCADGSFPPRAN-JTQLQIEISA-N 1 0 258.705 2.109 20 5 CEBDRO CN1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443681 523968257 /nfs/dbraw/zinc/96/82/57/523968257.db2.gz IRZLTDNHHKIBJB-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070077831 524995139 /nfs/dbraw/zinc/99/51/39/524995139.db2.gz KOZNUZQSTNWNDP-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053712343 525067317 /nfs/dbraw/zinc/06/73/17/525067317.db2.gz WEPUKIJJXQFAGC-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO COc1cccc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000185354740 526129904 /nfs/dbraw/zinc/12/99/04/526129904.db2.gz BCPDBIQKJUCKAM-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCCC[C@@H]32)n1 ZINC000366099614 527407290 /nfs/dbraw/zinc/40/72/90/527407290.db2.gz UPATXTPUWIPKSP-NEPJUHHUSA-N 1 0 264.329 2.056 20 5 CEBDRO CCC[C@]1(COC)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000194943036 528526717 /nfs/dbraw/zinc/52/67/17/528526717.db2.gz WYIATSXJCQHMNM-CQSZACIVSA-N 1 0 296.371 2.072 20 5 CEBDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192617116 529132849 /nfs/dbraw/zinc/13/28/49/529132849.db2.gz KVAAQAXSEJITPZ-CQSZACIVSA-N 1 0 291.351 2.086 20 5 CEBDRO CCN(CC)C(=O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000726606192 574428058 /nfs/dbraw/zinc/42/80/58/574428058.db2.gz CMDILJFXVWVOFM-CLFYSBASSA-N 1 0 291.351 2.066 20 5 CEBDRO COC(=O)CCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000733899290 574690196 /nfs/dbraw/zinc/69/01/96/574690196.db2.gz WJHUOTHRUBGQAG-UHFFFAOYSA-N 1 0 294.351 2.459 20 5 CEBDRO C[N@@H+](CCc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 ZINC000746671410 575162479 /nfs/dbraw/zinc/16/24/79/575162479.db2.gz LMEWTEJSCMYPFJ-UHFFFAOYSA-N 1 0 292.314 2.105 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000890888551 623043829 /nfs/dbraw/zinc/04/38/29/623043829.db2.gz ZYTUYGKAZBVHFB-UHFFFAOYSA-N 1 0 293.367 2.255 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000062350998 625652589 /nfs/dbraw/zinc/65/25/89/625652589.db2.gz GVHVBZJCBCFYNO-RISCZKNCSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@H](CCO)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090740047 623508239 /nfs/dbraw/zinc/50/82/39/623508239.db2.gz GNDKTAJSKSFKLC-SECBINFHSA-N 1 0 272.732 2.356 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926439476 624728805 /nfs/dbraw/zinc/72/88/05/624728805.db2.gz JQXUEVNKQHDXDR-MEBBXXQBSA-N 1 0 289.335 2.243 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892521091 625891209 /nfs/dbraw/zinc/89/12/09/625891209.db2.gz IXBDGNOXBHBAJI-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO CO[C@@H](C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000311191191 627388014 /nfs/dbraw/zinc/38/80/14/627388014.db2.gz CVGZOPBPINEDQN-JTQLQIEISA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295212090 628038986 /nfs/dbraw/zinc/03/89/86/628038986.db2.gz URZITHRLIALADC-SECBINFHSA-N 1 0 270.304 2.325 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)SC)c1[N+](=O)[O-] ZINC000893180435 628095303 /nfs/dbraw/zinc/09/53/03/628095303.db2.gz GJWQZHAOEHCQFV-QMMMGPOBSA-N 1 0 286.353 2.150 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000931043636 628343042 /nfs/dbraw/zinc/34/30/42/628343042.db2.gz SFBDYQWWZQCVBZ-SMDDNHRTSA-N 1 0 263.341 2.119 20 5 CEBDRO CNc1cc(N(C)CCc2ccccc2[N+](=O)[O-])ncn1 ZINC000893817809 629005784 /nfs/dbraw/zinc/00/57/84/629005784.db2.gz UHKXEGDULHDNMO-UHFFFAOYSA-N 1 0 287.323 2.105 20 5 CEBDRO COc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000261731718 629165202 /nfs/dbraw/zinc/16/52/02/629165202.db2.gz RGZXTKAYKRTARH-JTQLQIEISA-N 1 0 293.323 2.074 20 5 CEBDRO C[NH+]1C[C@]2(C)CN(c3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894797241 629645968 /nfs/dbraw/zinc/64/59/68/629645968.db2.gz KFCQQMJWVWGNDX-HUUCEWRRSA-N 1 0 275.352 2.373 20 5 CEBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894797239 629646355 /nfs/dbraw/zinc/64/63/55/629646355.db2.gz KFCQQMJWVWGNDX-GASCZTMLSA-N 1 0 275.352 2.373 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC000841232173 629774742 /nfs/dbraw/zinc/77/47/42/629774742.db2.gz BEDJAFOIBUSJIN-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000928553150 629962747 /nfs/dbraw/zinc/96/27/47/629962747.db2.gz YDPPOIVNNAGXJO-GFCCVEGCSA-N 1 0 299.330 2.182 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC(C)=NO1 ZINC000895312584 630104278 /nfs/dbraw/zinc/10/42/78/630104278.db2.gz YVUOLCPOIBCEKQ-ZDUSSCGKSA-N 1 0 293.323 2.248 20 5 CEBDRO CC(C)Oc1nc(N[C@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736536 630326641 /nfs/dbraw/zinc/32/66/41/630326641.db2.gz KLNSZKIOUBXIJX-MNOVXSKESA-N 1 0 294.355 2.282 20 5 CEBDRO C[C@H]1[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C ZINC000895736888 630326665 /nfs/dbraw/zinc/32/66/65/630326665.db2.gz PMJMRSITYYFDRL-UWVGGRQHSA-N 1 0 287.323 2.043 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000895769064 630337742 /nfs/dbraw/zinc/33/77/42/630337742.db2.gz MOXBNNSEKPCQLN-LLVKDONJSA-N 1 0 272.308 2.259 20 5 CEBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000896116274 630468866 /nfs/dbraw/zinc/46/88/66/630468866.db2.gz FUYGKWOWQIPIOE-VIFPVBQESA-N 1 0 273.358 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000896516609 630587248 /nfs/dbraw/zinc/58/72/48/630587248.db2.gz QMSKFMUIWDCLCQ-HNNXBMFYSA-N 1 0 291.351 2.260 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912123 630795978 /nfs/dbraw/zinc/79/59/78/630795978.db2.gz NVINRRNZNZIRQE-SKDRFNHKSA-N 1 0 267.354 2.044 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151952 631091665 /nfs/dbraw/zinc/09/16/65/631091665.db2.gz FWLBHTOMPIZWHM-JQWIXIFHSA-N 1 0 287.323 2.024 20 5 CEBDRO C[C@H](CCO)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461286 631530857 /nfs/dbraw/zinc/53/08/57/631530857.db2.gz ZIVLFBKLPSXRKQ-GHMZBOCLSA-N 1 0 252.314 2.059 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011768 631727274 /nfs/dbraw/zinc/72/72/74/631727274.db2.gz VGWRBWRLHDHDJU-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC12CC(O)C2 ZINC000897851064 631945518 /nfs/dbraw/zinc/94/55/18/631945518.db2.gz OFBFALGOWNAWKL-GFBGMSKBSA-N 1 0 274.320 2.111 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)C2)c1 ZINC000897960594 631992424 /nfs/dbraw/zinc/99/24/24/631992424.db2.gz WRNPNHCEMLAIFO-NKKIYXDUSA-N 1 0 276.340 2.273 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084002 632451994 /nfs/dbraw/zinc/45/19/94/632451994.db2.gz JTSNQKFVAJBMJF-QWHCGFSZSA-N 1 0 294.351 2.359 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812860971 632595217 /nfs/dbraw/zinc/59/52/17/632595217.db2.gz CBCYARBCIVJEEH-GJZGRUSLSA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@H]2CCCC[NH2+]C2)n1 ZINC000899629715 632926441 /nfs/dbraw/zinc/92/64/41/632926441.db2.gz ITGDOQSAHHQPHH-LBPRGKRZSA-N 1 0 279.340 2.375 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553143 633031425 /nfs/dbraw/zinc/03/14/25/633031425.db2.gz SKDQRBSKJRNNCS-SNVBAGLBSA-N 1 0 272.308 2.423 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817132074 633590314 /nfs/dbraw/zinc/59/03/14/633590314.db2.gz ZPZNMRMLSFQEJD-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000818958802 634016243 /nfs/dbraw/zinc/01/62/43/634016243.db2.gz WBMYOERXZQBPRN-OAHLLOKOSA-N 1 0 290.319 2.362 20 5 CEBDRO CSCC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088167 634064721 /nfs/dbraw/zinc/06/47/21/634064721.db2.gz SBTBREIAIJSYQI-MFKMUULPSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@H](CSC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207793 634105277 /nfs/dbraw/zinc/10/52/77/634105277.db2.gz PBCKZCZNWNDASP-DGCLKSJQSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819346203 634147883 /nfs/dbraw/zinc/14/78/83/634147883.db2.gz UHUAGVDYQPVPMN-SCDSUCTJSA-N 1 0 264.325 2.264 20 5 CEBDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCCCC1 ZINC000822207940 634870276 /nfs/dbraw/zinc/87/02/76/634870276.db2.gz TVGWYJPEHMQQRG-UHFFFAOYSA-N 1 0 299.415 2.203 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056004 634948197 /nfs/dbraw/zinc/94/81/97/634948197.db2.gz OVRHCDWHENMROL-UWVGGRQHSA-N 1 0 268.313 2.289 20 5 CEBDRO Cc1ccc(-c2noc([C@H]3CC[NH2+][C@H]3C)n2)cc1[N+](=O)[O-] ZINC000822722987 634981403 /nfs/dbraw/zinc/98/14/03/634981403.db2.gz MSYQJZAKGBEMQV-ONGXEEELSA-N 1 0 288.307 2.419 20 5 CEBDRO C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCCC1 ZINC000822795228 634998124 /nfs/dbraw/zinc/99/81/24/634998124.db2.gz AIMNQAQUPQCLKD-UHFFFAOYSA-N 1 0 299.415 2.203 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903184782 635002099 /nfs/dbraw/zinc/00/20/99/635002099.db2.gz YZZBGPYNMSDPRK-ZIBATOQPSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H](C[NH2+][C@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903246379 635025354 /nfs/dbraw/zinc/02/53/54/635025354.db2.gz UEFPQSCLYFPGJP-WZRBSPASSA-N 1 0 264.325 2.323 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286589 635050628 /nfs/dbraw/zinc/05/06/28/635050628.db2.gz BRHSFPZLXXZJCQ-GBIKHYSHSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903321521 635055897 /nfs/dbraw/zinc/05/58/97/635055897.db2.gz GQNFTJWNKHKLSB-YPMHNXCESA-N 1 0 263.341 2.258 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903403789 635111604 /nfs/dbraw/zinc/11/16/04/635111604.db2.gz GOVLKVIRZQPUPM-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(-c2noc([C@H](C)[C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270627 635120436 /nfs/dbraw/zinc/12/04/36/635120436.db2.gz UGHAKNREJDNFBG-RKDXNWHRSA-N 1 0 276.296 2.404 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903856414 635307960 /nfs/dbraw/zinc/30/79/60/635307960.db2.gz RHYONWHEFITMKG-HZMBPMFUSA-N 1 0 279.315 2.047 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903856417 635308186 /nfs/dbraw/zinc/30/81/86/635308186.db2.gz RHYONWHEFITMKG-YGRLFVJLSA-N 1 0 279.315 2.047 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987806 635407031 /nfs/dbraw/zinc/40/70/31/635407031.db2.gz JVIAKEJRVJLKAA-NQBHXWOUSA-N 1 0 263.341 2.243 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000905365596 636246883 /nfs/dbraw/zinc/24/68/83/636246883.db2.gz KOJTVKQIYOOPIS-MRXNPFEDSA-N 1 0 286.331 2.253 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000906094039 636595391 /nfs/dbraw/zinc/59/53/91/636595391.db2.gz LHVADHXMTSGWLJ-ZJUUUORDSA-N 1 0 265.313 2.285 20 5 CEBDRO C[NH+](C)CC1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCCC1 ZINC000828461322 636602783 /nfs/dbraw/zinc/60/27/83/636602783.db2.gz SGFWZTGAAHYXRU-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876522006 650301550 /nfs/dbraw/zinc/30/15/50/650301550.db2.gz DQEHYUKFCSLRJC-LBPRGKRZSA-N 1 0 299.330 2.230 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000876532236 650307849 /nfs/dbraw/zinc/30/78/49/650307849.db2.gz CHOLCMAHYRWXBK-ZYHUDNBSSA-N 1 0 291.351 2.021 20 5 CEBDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000876545220 650316391 /nfs/dbraw/zinc/31/63/91/650316391.db2.gz JCFLYZHKEROCFL-MLRMMBSGSA-N 1 0 275.308 2.089 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000876549315 650319458 /nfs/dbraw/zinc/31/94/58/650319458.db2.gz AWXXCZQOEKXETO-PHIMTYICSA-N 1 0 277.324 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000834383641 637807527 /nfs/dbraw/zinc/80/75/27/637807527.db2.gz UZYAXJWCZMVARS-ZIAGYGMSSA-N 1 0 262.309 2.113 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182840 638599542 /nfs/dbraw/zinc/59/95/42/638599542.db2.gz JDPWUGKGIAAJPL-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000876797465 650436954 /nfs/dbraw/zinc/43/69/54/650436954.db2.gz VCUAXOYZWFHRGM-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H](CC[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841051917 639632971 /nfs/dbraw/zinc/63/29/71/639632971.db2.gz RQWNCPBAXURLPX-MRVPVSSYSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000841056730 639634347 /nfs/dbraw/zinc/63/43/47/639634347.db2.gz CGXWXJFLANGTEN-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841063879 639639143 /nfs/dbraw/zinc/63/91/43/639639143.db2.gz BHLQBDCRKQLDLE-RNCFNFMXSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNCCC[NH2+]C1CC1 ZINC000841094354 639655815 /nfs/dbraw/zinc/65/58/15/639655815.db2.gz XAWFYHUYDNIDEW-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1c(C(=O)NCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000170555495 639663012 /nfs/dbraw/zinc/66/30/12/639663012.db2.gz HDIZCTRGLPDVRI-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877006035 650528893 /nfs/dbraw/zinc/52/88/93/650528893.db2.gz FLPCGTKYCLVLDU-UHFFFAOYSA-N 1 0 287.319 2.169 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842475197 640074156 /nfs/dbraw/zinc/07/41/56/640074156.db2.gz LHXNGWKZYZJAAK-LBPRGKRZSA-N 1 0 269.320 2.197 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843100050 640280853 /nfs/dbraw/zinc/28/08/53/640280853.db2.gz SSSRNRKGMDTCSY-NJZAAPMLSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000843117491 640287234 /nfs/dbraw/zinc/28/72/34/640287234.db2.gz ZAESLMDTJWEDOU-KKUMJFAQSA-N 1 0 296.367 2.013 20 5 CEBDRO COc1cccc(-c2nc([C@@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843151152 640309689 /nfs/dbraw/zinc/30/96/89/640309689.db2.gz CUPOWQOPTUQCHT-JTQLQIEISA-N 1 0 292.295 2.309 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000843187353 640338370 /nfs/dbraw/zinc/33/83/70/640338370.db2.gz OEFCZFDNNHMYIB-LBPRGKRZSA-N 1 0 288.307 2.233 20 5 CEBDRO CCC[NH2+][C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232768 640361822 /nfs/dbraw/zinc/36/18/22/640361822.db2.gz BWUFAJMVTBKRCQ-VIFPVBQESA-N 1 0 270.333 2.118 20 5 CEBDRO Cc1c(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000843237769 640364559 /nfs/dbraw/zinc/36/45/59/640364559.db2.gz GGGOBWIACDZSMT-DTORHVGOSA-N 1 0 274.280 2.158 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[C@@H](C4CC4)[NH2+]3)n2)o1 ZINC000844921071 640866274 /nfs/dbraw/zinc/86/62/74/640866274.db2.gz XGXXNDAVXDZWFL-DTWKUNHWSA-N 1 0 290.279 2.441 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000845526836 640994318 /nfs/dbraw/zinc/99/43/18/640994318.db2.gz AMQZMSGDXCWVJC-DTORHVGOSA-N 1 0 299.733 2.385 20 5 CEBDRO CCC[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477099 642008611 /nfs/dbraw/zinc/00/86/11/642008611.db2.gz LWKDYJJNXMRMOR-AWEZNQCLSA-N 1 0 291.351 2.210 20 5 CEBDRO [NH3+]C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848714616 642109551 /nfs/dbraw/zinc/10/95/51/642109551.db2.gz ROAWAATYDNDBIH-VIFPVBQESA-N 1 0 297.664 2.227 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H](C)CCO ZINC000877615199 650815526 /nfs/dbraw/zinc/81/55/26/650815526.db2.gz OADZTJCMQZJXOV-LLVKDONJSA-N 1 0 266.341 2.414 20 5 CEBDRO CC(C)O[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000922611168 643160711 /nfs/dbraw/zinc/16/07/11/643160711.db2.gz HWBPUQLMEOHYCC-OAHLLOKOSA-N 1 0 294.351 2.269 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534739 643461174 /nfs/dbraw/zinc/46/11/74/643461174.db2.gz OUZQUGDUBKTASE-RISCZKNCSA-N 1 0 280.299 2.202 20 5 CEBDRO CC12CC(C1)C[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852786151 643550472 /nfs/dbraw/zinc/55/04/72/643550472.db2.gz KWLFYAJTOHWGED-AWAWDMARSA-N 1 0 262.309 2.113 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1([NH3+])CC1 ZINC000852807787 643560396 /nfs/dbraw/zinc/56/03/96/643560396.db2.gz YWINUKRVOVNOSC-UHFFFAOYSA-N 1 0 297.742 2.088 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000853245052 643720453 /nfs/dbraw/zinc/72/04/53/643720453.db2.gz QODDNVIQXYANTF-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO C[C@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]C1 ZINC000853311573 643736057 /nfs/dbraw/zinc/73/60/57/643736057.db2.gz UTYHTODTCVHFGF-LBPRGKRZSA-N 1 0 298.730 2.122 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517598 643748270 /nfs/dbraw/zinc/74/82/70/643748270.db2.gz FNBBQNJVOONYAX-CMPLNLGQSA-N 1 0 295.770 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000853580954 643821229 /nfs/dbraw/zinc/82/12/29/643821229.db2.gz QYXBQPULICJANT-ZYHUDNBSSA-N 1 0 272.308 2.244 20 5 CEBDRO C[N@H+](C[C@@H]1CCc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000853610364 643832109 /nfs/dbraw/zinc/83/21/09/643832109.db2.gz PBQMZPQLWPBSJQ-ZDUSSCGKSA-N 1 0 286.335 2.411 20 5 CEBDRO C[NH+](C)CC1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000853651875 643846839 /nfs/dbraw/zinc/84/68/39/643846839.db2.gz SCJLZFLIAZJROA-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO Cc1c(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000854159565 644001346 /nfs/dbraw/zinc/00/13/46/644001346.db2.gz GGGOBWIACDZSMT-KYZUINATSA-N 1 0 274.280 2.158 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877743280 650888919 /nfs/dbraw/zinc/88/89/19/650888919.db2.gz JLEXWTNEEYXPSW-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000755720440 644550465 /nfs/dbraw/zinc/55/04/65/644550465.db2.gz NDEDZHJBPVHLHS-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858547327 645197181 /nfs/dbraw/zinc/19/71/81/645197181.db2.gz JVYRMRQXUNGGKL-FMSQNYNMSA-N 1 0 291.351 2.395 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761982481 645345896 /nfs/dbraw/zinc/34/58/96/645345896.db2.gz VMMYRLYZKJFJHY-LLVKDONJSA-N 1 0 293.323 2.021 20 5 CEBDRO COC1CC(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000859296185 645448758 /nfs/dbraw/zinc/44/87/58/645448758.db2.gz DMAZTGNFGXFPAU-UHFFFAOYSA-N 1 0 278.352 2.494 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC000859627190 645544686 /nfs/dbraw/zinc/54/46/86/645544686.db2.gz JQBFIVXUBLWVCV-CQSZACIVSA-N 1 0 262.309 2.255 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859829435 645622496 /nfs/dbraw/zinc/62/24/96/645622496.db2.gz QJLRZNUGURCORG-ABNINFQISA-N 1 0 294.351 2.030 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)[NH+](C)C)c1 ZINC000771071133 646485988 /nfs/dbraw/zinc/48/59/88/646485988.db2.gz PZNAAXLRFXNOJG-QMMMGPOBSA-N 1 0 271.292 2.105 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)C1CC1 ZINC000772988628 646693643 /nfs/dbraw/zinc/69/36/43/646693643.db2.gz SNMHPYAQIUMSGU-BXUZGUMPSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](C)[NH3+] ZINC000863568453 646758411 /nfs/dbraw/zinc/75/84/11/646758411.db2.gz MKDBNIBGDRZMNU-QWRGUYRKSA-N 1 0 251.330 2.243 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000774528067 646858415 /nfs/dbraw/zinc/85/84/15/646858415.db2.gz AHKLQCIDVOHKDD-AWEZNQCLSA-N 1 0 261.325 2.268 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000776600655 647078047 /nfs/dbraw/zinc/07/80/47/647078047.db2.gz CSQPGXNHKMBWNZ-CMPLNLGQSA-N 1 0 286.278 2.215 20 5 CEBDRO COC1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776605572 647078698 /nfs/dbraw/zinc/07/86/98/647078698.db2.gz MTRWOJOJVUGUPH-CQSZACIVSA-N 1 0 294.351 2.129 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000865488141 647321123 /nfs/dbraw/zinc/32/11/23/647321123.db2.gz KJIYEHLYLQMFPH-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865817937 647476854 /nfs/dbraw/zinc/47/68/54/647476854.db2.gz JLFUNLREROMVLI-SNVBAGLBSA-N 1 0 299.346 2.367 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000865839927 647486923 /nfs/dbraw/zinc/48/69/23/647486923.db2.gz YETWYVYEWYFIHG-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866206098 647669372 /nfs/dbraw/zinc/66/93/72/647669372.db2.gz JCQQLIFKAZCJDX-GXFFZTMASA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866206102 647669471 /nfs/dbraw/zinc/66/94/71/647669471.db2.gz JCQQLIFKAZCJDX-ZWNOBZJWSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1CCCC1 ZINC000866216104 647676373 /nfs/dbraw/zinc/67/63/73/647676373.db2.gz PUBINSCCTNQVDQ-LBPRGKRZSA-N 1 0 295.358 2.350 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000866309042 647729989 /nfs/dbraw/zinc/72/99/89/647729989.db2.gz BEJKVDLGLJLBGV-YGRLFVJLSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000866346544 647747334 /nfs/dbraw/zinc/74/73/34/647747334.db2.gz AXYZRRCFXQWWFX-CDWSIMAYSA-N 1 0 296.342 2.416 20 5 CEBDRO CC(C)(O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783677089 647747466 /nfs/dbraw/zinc/74/74/66/647747466.db2.gz HKNPUJVVYHTFCN-UHFFFAOYSA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000866388162 647768364 /nfs/dbraw/zinc/76/83/64/647768364.db2.gz CKJATOJWEAUBTP-QWRGUYRKSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000866394069 647771650 /nfs/dbraw/zinc/77/16/50/647771650.db2.gz SPHFAXPSJWWDBC-JTQLQIEISA-N 1 0 290.298 2.245 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000784034764 647791021 /nfs/dbraw/zinc/79/10/21/647791021.db2.gz NAWULBKNSFWLLR-NSHDSACASA-N 1 0 266.345 2.425 20 5 CEBDRO Cc1ccc(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000866666969 647861484 /nfs/dbraw/zinc/86/14/84/647861484.db2.gz YDPMMBYXLKGNNV-SLEUVZQESA-N 1 0 277.368 2.379 20 5 CEBDRO Cc1c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000866724360 647883685 /nfs/dbraw/zinc/88/36/85/647883685.db2.gz LMTASLPYYAMPJW-DZGCQCFKSA-N 1 0 275.352 2.230 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866726669 647885268 /nfs/dbraw/zinc/88/52/68/647885268.db2.gz YUBDGLIFGDFSJR-TZMCWYRMSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000868081208 648046752 /nfs/dbraw/zinc/04/67/52/648046752.db2.gz PWRQUZDGZNOQEC-MRXNPFEDSA-N 1 0 299.330 2.311 20 5 CEBDRO CC[N@@H+](CC(=O)NC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787407736 648106121 /nfs/dbraw/zinc/10/61/21/648106121.db2.gz QVSFEIBDARXBHD-WQLSENKSSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788692814 648216206 /nfs/dbraw/zinc/21/62/06/648216206.db2.gz QWHAFYFBXSZBPT-ZYHUDNBSSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]1C[C@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791053544 648476252 /nfs/dbraw/zinc/47/62/52/648476252.db2.gz TWXGNTGCAIMGGH-GOEBONIOSA-N 1 0 291.395 2.248 20 5 CEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000792202512 648625458 /nfs/dbraw/zinc/62/54/58/648625458.db2.gz OZWKUIUUUSPTOT-RYUDHWBXSA-N 1 0 278.308 2.026 20 5 CEBDRO CC[C@H](C[NH+](C)C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870555585 648836153 /nfs/dbraw/zinc/83/61/53/648836153.db2.gz YAXXVDPPZFTBPJ-SNVBAGLBSA-N 1 0 266.297 2.092 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024601 649244127 /nfs/dbraw/zinc/24/41/27/649244127.db2.gz UHVDNEMZPPKSCD-GHMZBOCLSA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077355 649265218 /nfs/dbraw/zinc/26/52/18/649265218.db2.gz HGAFVKZLVIEZKX-JTQLQIEISA-N 1 0 292.314 2.361 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090359 649270631 /nfs/dbraw/zinc/27/06/31/649270631.db2.gz BOWTWYAWKNKJEC-OIBJUYFYSA-N 1 0 292.257 2.401 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126346 649285118 /nfs/dbraw/zinc/28/51/18/649285118.db2.gz LQUVOWLOCBQILH-YRGRVCCFSA-N 1 0 278.352 2.276 20 5 CEBDRO CC(C)(CCc1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000872182379 649310753 /nfs/dbraw/zinc/31/07/53/649310753.db2.gz KNVUOTVIDZYNKM-GZTOBOFZSA-N 1 0 294.355 2.070 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000872231390 649323078 /nfs/dbraw/zinc/32/30/78/649323078.db2.gz JRRJOJXPRJHOEE-JTQLQIEISA-N 1 0 292.257 2.306 20 5 CEBDRO COCCOC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873062612 649547347 /nfs/dbraw/zinc/54/73/47/649547347.db2.gz UZAFVCJLPRAMJG-NSHDSACASA-N 1 0 282.340 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)C[NH+](C)C ZINC000873126781 649564684 /nfs/dbraw/zinc/56/46/84/649564684.db2.gz COIMWYKVMJGZBO-NSHDSACASA-N 1 0 279.384 2.499 20 5 CEBDRO Cc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873230348 649602201 /nfs/dbraw/zinc/60/22/01/649602201.db2.gz QAHWTHZKTJSHHE-CABCVRRESA-N 1 0 275.352 2.277 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000873299223 649633082 /nfs/dbraw/zinc/63/30/82/649633082.db2.gz PEZQDTKXQWKQRK-VXGBXAGGSA-N 1 0 291.351 2.163 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@@](C)=O ZINC000127157928 651110443 /nfs/dbraw/zinc/11/04/43/651110443.db2.gz KMRSUGCQZLPTQF-ODXCJYRJSA-N 1 0 298.408 2.274 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127752959 651303402 /nfs/dbraw/zinc/30/34/02/651303402.db2.gz ADSYUBGYMWVXLE-GFCCVEGCSA-N 1 0 297.330 2.179 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000880130054 651387089 /nfs/dbraw/zinc/38/70/89/651387089.db2.gz BUMAOFYDNGPKSO-GJZGRUSLSA-N 1 0 293.342 2.402 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880132290 651387793 /nfs/dbraw/zinc/38/77/93/651387793.db2.gz OADPYIZTLYMRLZ-CABCVRRESA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880296324 651418370 /nfs/dbraw/zinc/41/83/70/651418370.db2.gz ZQIGAVMFIJTPMO-LLVKDONJSA-N 1 0 268.288 2.265 20 5 CEBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429189 651439159 /nfs/dbraw/zinc/43/91/59/651439159.db2.gz UYVLEZYCBCIDRN-GJZGRUSLSA-N 1 0 294.351 2.139 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881908225 651911051 /nfs/dbraw/zinc/91/10/51/651911051.db2.gz KKNYWNYBUVFUAQ-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882820117 652228615 /nfs/dbraw/zinc/22/86/15/652228615.db2.gz GFEGPBJDNJFMGF-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882960948 652292278 /nfs/dbraw/zinc/29/22/78/652292278.db2.gz ZZDSZXYMSFPNBD-VIFPVBQESA-N 1 0 283.303 2.249 20 5 CEBDRO CC[C@@H]([NH2+]CC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130911843 652354337 /nfs/dbraw/zinc/35/43/37/652354337.db2.gz SQLVDEYLOLMIAS-BFUOFWGJSA-N 1 0 284.381 2.404 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)CC(F)F ZINC000883104119 652364427 /nfs/dbraw/zinc/36/44/27/652364427.db2.gz PQWIHPYVLFEKMR-SNVBAGLBSA-N 1 0 288.294 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000131430352 652424836 /nfs/dbraw/zinc/42/48/36/652424836.db2.gz QQSYCWZCTZCAKP-JTQLQIEISA-N 1 0 256.689 2.127 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355923 652440506 /nfs/dbraw/zinc/44/05/06/652440506.db2.gz AHLAPMYZKABKFT-GHMZBOCLSA-N 1 0 281.331 2.479 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000883441912 652471480 /nfs/dbraw/zinc/47/14/80/652471480.db2.gz ACPDANRHPRXJSE-NEPJUHHUSA-N 1 0 283.759 2.464 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000883449217 652473314 /nfs/dbraw/zinc/47/33/14/652473314.db2.gz FJPULIHSVSKUHX-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000800084920 652645254 /nfs/dbraw/zinc/64/52/54/652645254.db2.gz REBUFUAHWMAQFM-UHFFFAOYSA-N 1 0 270.285 2.077 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000884078699 652697852 /nfs/dbraw/zinc/69/78/52/652697852.db2.gz SVRRCQZHKFOEIN-ZWNOBZJWSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1C ZINC000884279537 652777467 /nfs/dbraw/zinc/77/74/67/652777467.db2.gz NKYZWOMTAVMSBR-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000884372256 652820983 /nfs/dbraw/zinc/82/09/83/652820983.db2.gz JLMKZJLMWIMSQC-UWVGGRQHSA-N 1 0 279.340 2.067 20 5 CEBDRO CC(C)NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134477418 652843939 /nfs/dbraw/zinc/84/39/39/652843939.db2.gz VDOICLFSPOWWJP-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164638690 719179565 /nfs/dbraw/zinc/17/95/65/719179565.db2.gz RGGIASICOAKTBK-NXEZZACHSA-N 1 0 298.774 2.480 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164638694 719179895 /nfs/dbraw/zinc/17/98/95/719179895.db2.gz RGGIASICOAKTBK-VHSXEESVSA-N 1 0 298.774 2.480 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000689351303 806325279 /nfs/dbraw/zinc/32/52/79/806325279.db2.gz WEVFPRSDWQALNU-IINYFYTJSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226718 806421621 /nfs/dbraw/zinc/42/16/21/806421621.db2.gz NQWNGVLNIYTLDM-ZJUUUORDSA-N 1 0 253.277 2.015 20 5 CEBDRO Cc1c(NC(=O)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000721255917 806702421 /nfs/dbraw/zinc/70/24/21/806702421.db2.gz UOECLOTYWUGTNW-UHFFFAOYSA-N 1 0 265.313 2.217 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000160405664 806869861 /nfs/dbraw/zinc/86/98/61/806869861.db2.gz FALLPCSZWTUGKZ-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO COc1ccccc1OC[C@H](C)OCC[N+](C)(C)C ZINC001224773252 806949880 /nfs/dbraw/zinc/94/98/80/806949880.db2.gz GTZXVAJCNHUVAR-ZDUSSCGKSA-N 1 0 268.377 2.185 20 5 CEBDRO CCC[NH+]1CCC(CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001117683980 814936166 /nfs/dbraw/zinc/93/61/66/814936166.db2.gz BPOVWISJISXLCP-UHFFFAOYSA-N 1 0 292.383 2.254 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724998651 803382223 /nfs/dbraw/zinc/38/22/23/803382223.db2.gz MZPQLHUWGOAUKP-YDGIUTOCSA-N 1 0 282.727 2.251 20 5 CEBDRO Cc1cccc(CO[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217859806 803474102 /nfs/dbraw/zinc/47/41/02/803474102.db2.gz HKHKFSCROFFFAL-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000694693902 803580364 /nfs/dbraw/zinc/58/03/64/803580364.db2.gz MPFWFOMTQVLMLV-YGRLFVJLSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC1(C)OCCO1 ZINC000716023511 815015141 /nfs/dbraw/zinc/01/51/41/815015141.db2.gz YNVWQFRMUPIWCV-GFCCVEGCSA-N 1 0 294.351 2.474 20 5 CEBDRO N=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)SCC[NH3+] ZINC001167909165 804690664 /nfs/dbraw/zinc/69/06/64/804690664.db2.gz FJMIVVJSBGSCAV-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO Cc1cc(C(=O)NCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000698110493 806988928 /nfs/dbraw/zinc/98/89/28/806988928.db2.gz GPQSCQQACOGRSF-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788249 805417243 /nfs/dbraw/zinc/41/72/43/805417243.db2.gz LPJIFJZBDYVHQG-LLVKDONJSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC001119342433 815095442 /nfs/dbraw/zinc/09/54/42/815095442.db2.gz QWGSGRDFFZLFIT-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001233555495 807420098 /nfs/dbraw/zinc/42/00/98/807420098.db2.gz HVHGESJOXWQXRZ-NSHDSACASA-N 1 0 265.313 2.160 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001171448292 815127837 /nfs/dbraw/zinc/12/78/37/815127837.db2.gz YFZMNDBQDDTGAR-UHFFFAOYSA-N 1 0 284.279 2.068 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699841825 807869796 /nfs/dbraw/zinc/86/97/96/807869796.db2.gz AAHWCTQLWHCMRU-PELKAZGASA-N 1 0 270.716 2.373 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CN(CC[NH+]1CCCC1)C2 ZINC001119733811 815155485 /nfs/dbraw/zinc/15/54/85/815155485.db2.gz VTSGBMMCYDBSEC-UHFFFAOYSA-N 1 0 261.325 2.006 20 5 CEBDRO Nc1ccnc(N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168545369 808570303 /nfs/dbraw/zinc/57/03/03/808570303.db2.gz WUJKNCDGWNRBBA-SNVBAGLBSA-N 1 0 299.334 2.156 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120474592 815226621 /nfs/dbraw/zinc/22/66/21/815226621.db2.gz KJANCCVMJMBUNC-DGCLKSJQSA-N 1 0 294.351 2.113 20 5 CEBDRO COc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cnc1[N+](=O)[O-] ZINC001168600869 808697946 /nfs/dbraw/zinc/69/79/46/808697946.db2.gz GNAASOKYQWTXAF-RYUDHWBXSA-N 1 0 294.355 2.283 20 5 CEBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001120591203 815242166 /nfs/dbraw/zinc/24/21/66/815242166.db2.gz VBSRHWUBPYOBTA-ZIAGYGMSSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702066012 809491576 /nfs/dbraw/zinc/49/15/76/809491576.db2.gz ZBXFMOSXKKDIOR-WPRPVWTQSA-N 1 0 297.742 2.200 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065060 809491531 /nfs/dbraw/zinc/49/15/31/809491531.db2.gz VGAQZXOXKXCDCC-PSASIEDQSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707631699 809916305 /nfs/dbraw/zinc/91/63/05/809916305.db2.gz KHGSYBCPHQNVBR-WAAGHKOSSA-N 1 0 270.716 2.109 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000708596653 809946824 /nfs/dbraw/zinc/94/68/24/809946824.db2.gz XTTSPKBWUZYQSJ-DGCLKSJQSA-N 1 0 268.288 2.079 20 5 CEBDRO CCOc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154990948 810895688 /nfs/dbraw/zinc/89/56/88/810895688.db2.gz ZJWWQKBZXSAFMT-NXEZZACHSA-N 1 0 280.328 2.070 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000712296058 811180345 /nfs/dbraw/zinc/18/03/45/811180345.db2.gz SDJPLECQQYPPRB-LJWDBELGSA-N 1 0 296.754 2.451 20 5 CEBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])ccc3Cl)cc2C1 ZINC001168816707 811245186 /nfs/dbraw/zinc/24/51/86/811245186.db2.gz SFNMPPRTRFDLLD-SECBINFHSA-N 1 0 292.726 2.250 20 5 CEBDRO Cc1cc(-n2cnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001168842616 811267344 /nfs/dbraw/zinc/26/73/44/811267344.db2.gz ZNKAEISICAVNOJ-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978264 811306562 /nfs/dbraw/zinc/30/65/62/811306562.db2.gz QJLKNZYNPDSVSG-VXGBXAGGSA-N 1 0 286.372 2.143 20 5 CEBDRO Cc1ncn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979707 811308417 /nfs/dbraw/zinc/30/84/17/811308417.db2.gz ZLTDJZNXTYFWEK-RYUDHWBXSA-N 1 0 298.412 2.001 20 5 CEBDRO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168979213 811308483 /nfs/dbraw/zinc/30/84/83/811308483.db2.gz XEVXIOQUHMGDDV-GHMZBOCLSA-N 1 0 269.370 2.295 20 5 CEBDRO Cc1ccnc(CCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168979479 811308665 /nfs/dbraw/zinc/30/86/65/811308665.db2.gz YKVMGRRZNYFEGN-UKRRQHHQSA-N 1 0 277.368 2.358 20 5 CEBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981232 811309946 /nfs/dbraw/zinc/30/99/46/811309946.db2.gz GVWPCQFHGWROLJ-XHSDSOJGSA-N 1 0 292.379 2.279 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(OC)c1 ZINC001168958712 811312980 /nfs/dbraw/zinc/31/29/80/811312980.db2.gz ONSLUTXRURBKJK-WCQYABFASA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001168966081 811319274 /nfs/dbraw/zinc/31/92/74/811319274.db2.gz GBSUPVLGUBRFEF-STQMWFEESA-N 1 0 270.373 2.107 20 5 CEBDRO CCCCN(CC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967347 811319411 /nfs/dbraw/zinc/31/94/11/811319411.db2.gz OYPVJUFISWDSPN-KBPBESRZSA-N 1 0 271.405 2.143 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001168969254 811320102 /nfs/dbraw/zinc/32/01/02/811320102.db2.gz CONKUOFLAJRVBO-GMXVVIOVSA-N 1 0 264.325 2.488 20 5 CEBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970750 811320629 /nfs/dbraw/zinc/32/06/29/811320629.db2.gz IYSOECQQPDVUQO-HIFRSBDPSA-N 1 0 290.363 2.256 20 5 CEBDRO Cc1cccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168998562 811326429 /nfs/dbraw/zinc/32/64/29/811326429.db2.gz OPWKDDHGAZANRZ-ZIAGYGMSSA-N 1 0 289.379 2.457 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168997752 811326493 /nfs/dbraw/zinc/32/64/93/811326493.db2.gz FKSNNAJBAFUKDU-MQYQWHSLSA-N 1 0 298.383 2.143 20 5 CEBDRO CC(C)(Cc1ccccn1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998212 811326957 /nfs/dbraw/zinc/32/69/57/811326957.db2.gz JUHMSPKKJLKTJX-OLZOCXBDSA-N 1 0 277.368 2.438 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999751 811329263 /nfs/dbraw/zinc/32/92/63/811329263.db2.gz VBKCLLPFJHFXLE-MWLCHTKSSA-N 1 0 298.289 2.183 20 5 CEBDRO O=C1c2ccccc2CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004116 811329908 /nfs/dbraw/zinc/32/99/08/811329908.db2.gz PXCCZEVKIKDGCN-ZLDLUXBVSA-N 1 0 288.347 2.219 20 5 CEBDRO CC(C)(Cc1cccnc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006335 811332738 /nfs/dbraw/zinc/33/27/38/811332738.db2.gz XOIJSDGLZOIVKW-OCCSQVGLSA-N 1 0 277.368 2.438 20 5 CEBDRO C[N@H+](Cc1cccc(O)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011795 811334858 /nfs/dbraw/zinc/33/48/58/811334858.db2.gz MJGZQMAXLMADHQ-CHWSQXEVSA-N 1 0 264.325 2.269 20 5 CEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169013608 811335078 /nfs/dbraw/zinc/33/50/78/811335078.db2.gz VRMQTDKMAVUART-GMTAPVOTSA-N 1 0 262.300 2.409 20 5 CEBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169013609 811335207 /nfs/dbraw/zinc/33/52/07/811335207.db2.gz VRMQTDKMAVUART-MXWKQRLJSA-N 1 0 262.300 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccnc3)C2)C1 ZINC001169034219 811345139 /nfs/dbraw/zinc/34/51/39/811345139.db2.gz GAHYJVPSNJXDIM-YUELXQCFSA-N 1 0 275.352 2.316 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034186 811347071 /nfs/dbraw/zinc/34/70/71/811347071.db2.gz FVUWYTJMWRNJQB-XQQFMLRXSA-N 1 0 298.383 2.095 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001169036077 811347373 /nfs/dbraw/zinc/34/73/73/811347373.db2.gz MWUYGHNRYYTFNT-STQMWFEESA-N 1 0 268.357 2.077 20 5 CEBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)o1 ZINC001169038862 811349215 /nfs/dbraw/zinc/34/92/15/811349215.db2.gz LBPTXJPPPRSDQQ-JHJVBQTASA-N 1 0 294.355 2.003 20 5 CEBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169040245 811349526 /nfs/dbraw/zinc/34/95/26/811349526.db2.gz ZBNZQSNKEUSMJF-BFHYXJOUSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3occc3C2)C1 ZINC001169039957 811349662 /nfs/dbraw/zinc/34/96/62/811349662.db2.gz WHICRCIKVSXCRL-ZYHUDNBSSA-N 1 0 250.298 2.083 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncccn2)C1 ZINC001169050640 811357323 /nfs/dbraw/zinc/35/73/23/811357323.db2.gz CBYXWAUOBAADDG-UPJWGTAASA-N 1 0 276.340 2.059 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001169710991 811637345 /nfs/dbraw/zinc/63/73/45/811637345.db2.gz DTQHFQRTKNLRRC-UHFFFAOYSA-N 1 0 287.751 2.180 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001156594648 811832594 /nfs/dbraw/zinc/83/25/94/811832594.db2.gz NMOKIUAOBWAPEN-UHFFFAOYSA-N 1 0 297.318 2.404 20 5 CEBDRO Cc1c(C)c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266469 812062125 /nfs/dbraw/zinc/06/21/25/812062125.db2.gz SRSUYFYEFVADEH-TZMCWYRMSA-N 1 0 290.367 2.137 20 5 CEBDRO C[NH+]1CC(CNc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001170253533 812372247 /nfs/dbraw/zinc/37/22/47/812372247.db2.gz NRJYCGQNKHBRSS-UHFFFAOYSA-N 1 0 299.334 2.025 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001170304705 812379445 /nfs/dbraw/zinc/37/94/45/812379445.db2.gz FXNQWZHLCUXUBM-XXILOJSOSA-N 1 0 268.288 2.234 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC001170327941 812389694 /nfs/dbraw/zinc/38/96/94/812389694.db2.gz SSNJGTBJLZHIKE-WDEREUQCSA-N 1 0 296.367 2.283 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC2COC2)c([N+](=O)[O-])c1 ZINC001170352807 812392391 /nfs/dbraw/zinc/39/23/91/812392391.db2.gz QRZHWSXIZZZWED-LLVKDONJSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)nc1Cl ZINC001157739309 812419785 /nfs/dbraw/zinc/41/97/85/812419785.db2.gz CBMODPUTQJBCSY-BDAKNGLRSA-N 1 0 284.747 2.268 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncnc1)CC2 ZINC001172899879 815539225 /nfs/dbraw/zinc/53/92/25/815539225.db2.gz PMIDPMRAWVCHTP-HNNXBMFYSA-N 1 0 298.346 2.422 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897891 815539848 /nfs/dbraw/zinc/53/98/48/815539848.db2.gz FURVPPLLWCLGRD-UONOGXRCSA-N 1 0 278.352 2.203 20 5 CEBDRO CN(C)CC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908773 815541107 /nfs/dbraw/zinc/54/11/07/815541107.db2.gz NZWLZGCVTPNCQL-OAHLLOKOSA-N 1 0 291.395 2.336 20 5 CEBDRO CCN(c1ncc([N+](=O)[O-])c(C)c1C)[C@H]1CCC[NH2+]C1 ZINC001158205324 812634380 /nfs/dbraw/zinc/63/43/80/812634380.db2.gz NYEKYMHDEOOEAJ-LBPRGKRZSA-N 1 0 278.356 2.185 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001170864882 813561396 /nfs/dbraw/zinc/56/13/96/813561396.db2.gz JYPUVVJDLLJBTM-SNVBAGLBSA-N 1 0 293.245 2.083 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333460 814586121 /nfs/dbraw/zinc/58/61/21/814586121.db2.gz DFMCUYCTAXIUDW-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000714467098 814906522 /nfs/dbraw/zinc/90/65/22/814906522.db2.gz YEDOSIZGQBKYRJ-KLPPZKSPSA-N 1 0 250.298 2.109 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000714471574 814906604 /nfs/dbraw/zinc/90/66/04/814906604.db2.gz PUWKMXQWCAEOGU-JGZJWPJOSA-N 1 0 268.288 2.249 20 5 CEBDRO COC(C)(C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173217915 815624825 /nfs/dbraw/zinc/62/48/25/815624825.db2.gz HKCZILFPEUOGEA-LLVKDONJSA-N 1 0 282.340 2.124 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccncn1 ZINC001173225395 815629545 /nfs/dbraw/zinc/62/95/45/815629545.db2.gz JQXQSMACFWAZBP-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO CCCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173228785 815631688 /nfs/dbraw/zinc/63/16/88/815631688.db2.gz KINNWUVSACWOGW-RISCZKNCSA-N 1 0 293.367 2.160 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]12CCOC2 ZINC001173233371 815632087 /nfs/dbraw/zinc/63/20/87/815632087.db2.gz VZAHLRRYSDHCTD-DOMZBBRYSA-N 1 0 276.336 2.391 20 5 CEBDRO CC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230725 815632697 /nfs/dbraw/zinc/63/26/97/815632697.db2.gz DXYYHXRPDWWBED-SMDDNHRTSA-N 1 0 276.336 2.437 20 5 CEBDRO CCOC(=O)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212135 815635542 /nfs/dbraw/zinc/63/55/42/815635542.db2.gz WZKXCELOJFSDFJ-NSHDSACASA-N 1 0 280.324 2.069 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCOC1 ZINC001173214126 815637447 /nfs/dbraw/zinc/63/74/47/815637447.db2.gz MFRSCOMHRCYLSZ-WCQYABFASA-N 1 0 264.325 2.294 20 5 CEBDRO COc1nccc(N)c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175733865 816270700 /nfs/dbraw/zinc/27/07/00/816270700.db2.gz KGMXWEJQGXBBHY-UHFFFAOYSA-N 1 0 278.243 2.463 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000124325789 187132904 /nfs/dbraw/zinc/13/29/04/187132904.db2.gz WEAVCDOPQYIGDQ-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO COCCOCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079415609 343979793 /nfs/dbraw/zinc/97/97/93/343979793.db2.gz JYWDPUUXWVOFJB-GFCCVEGCSA-N 1 0 282.340 2.251 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601333342 346822773 /nfs/dbraw/zinc/82/27/73/346822773.db2.gz CKMJPSRNUMQFOJ-ZFWWWQNUSA-N 1 0 275.352 2.169 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449179602 282133317 /nfs/dbraw/zinc/13/33/17/282133317.db2.gz WSLDECOJMYJBAA-RYUDHWBXSA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449192256 282137168 /nfs/dbraw/zinc/13/71/68/282137168.db2.gz UAFDGWWJNOFSAD-HTGLOVNISA-N 1 0 298.408 2.273 20 5 CEBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036283122 361838216 /nfs/dbraw/zinc/83/82/16/361838216.db2.gz SXLXYLOISPJFPX-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@](C)(CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220411 282146662 /nfs/dbraw/zinc/14/66/62/282146662.db2.gz QBAOOVBEJIRXLU-BXUZGUMPSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000125753525 187198850 /nfs/dbraw/zinc/19/88/50/187198850.db2.gz GFKMGYYRMHPSDR-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000725270120 539215130 /nfs/dbraw/zinc/21/51/30/539215130.db2.gz XTRIRKDTVKOOAI-KBPBESRZSA-N 1 0 262.309 2.109 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000097934223 529602259 /nfs/dbraw/zinc/60/22/59/529602259.db2.gz ZNKQCFZNBIDGQK-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000269946890 190573827 /nfs/dbraw/zinc/57/38/27/190573827.db2.gz HUWOJPRJMCVKGF-UHFFFAOYSA-N 1 0 258.709 2.053 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041319031 362030007 /nfs/dbraw/zinc/03/00/07/362030007.db2.gz SNQMWZDVNIAHBG-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000041677923 362045905 /nfs/dbraw/zinc/04/59/05/362045905.db2.gz CEAPJDDXXSCVKR-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000031825683 343410240 /nfs/dbraw/zinc/41/02/40/343410240.db2.gz KZLIQWNKMBMXKE-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000042504474 343451857 /nfs/dbraw/zinc/45/18/57/343451857.db2.gz OWQGDUNHBJWJBV-LLVKDONJSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601969816 346946357 /nfs/dbraw/zinc/94/63/57/346946357.db2.gz FNPYAWDQDGYJFP-WQDDEOEWSA-N 1 0 287.363 2.340 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057706277 343635541 /nfs/dbraw/zinc/63/55/41/343635541.db2.gz RQILUWPDDRQZAE-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C12CCC[NH+](CCC1)C2 ZINC000602026728 346964511 /nfs/dbraw/zinc/96/45/11/346964511.db2.gz MMXKCMFOOUELNE-UHFFFAOYSA-N 1 0 289.335 2.409 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000068341435 343761687 /nfs/dbraw/zinc/76/16/87/343761687.db2.gz RSQZVXHKBRWFSL-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)CC1 ZINC000075621128 343860112 /nfs/dbraw/zinc/86/01/12/343860112.db2.gz WWIDDMKADWKOBH-JTQLQIEISA-N 1 0 250.298 2.113 20 5 CEBDRO CN(CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415108203 529906592 /nfs/dbraw/zinc/90/65/92/529906592.db2.gz LXULVPHYGQOIOX-UHFFFAOYSA-N 1 0 275.308 2.245 20 5 CEBDRO C[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295086616 199337311 /nfs/dbraw/zinc/33/73/11/199337311.db2.gz DUYPUCMQMXJESG-JTQLQIEISA-N 1 0 252.314 2.186 20 5 CEBDRO COCC[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000088484238 344110076 /nfs/dbraw/zinc/11/00/76/344110076.db2.gz PCMZANYJLBKWNS-ZDUSSCGKSA-N 1 0 293.367 2.142 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)c1 ZINC000088719440 344113640 /nfs/dbraw/zinc/11/36/40/344113640.db2.gz ZTLSISSXZIFWTE-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088720973 344113680 /nfs/dbraw/zinc/11/36/80/344113680.db2.gz LQIZDJOALGZDIY-CYBMUJFWSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC1 ZINC000049237685 362348523 /nfs/dbraw/zinc/34/85/23/362348523.db2.gz MIANCABTLUEWKW-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO COc1cc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000091481623 344164728 /nfs/dbraw/zinc/16/47/28/344164728.db2.gz DWGLFIGWEFLHOY-ZDUSSCGKSA-N 1 0 297.330 2.495 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057176 344135222 /nfs/dbraw/zinc/13/52/22/344135222.db2.gz SQEMDSDVBWQJEQ-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144074 344215272 /nfs/dbraw/zinc/21/52/72/344215272.db2.gz ZQLNKMRHECJKRV-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1C)C(C)C ZINC000092641845 344197610 /nfs/dbraw/zinc/19/76/10/344197610.db2.gz HMKUXDLZMDBQNK-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000092652084 344197622 /nfs/dbraw/zinc/19/76/22/344197622.db2.gz HXBGQEJAJZCIHC-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000092672350 344199257 /nfs/dbraw/zinc/19/92/57/344199257.db2.gz TYEQQQIPUIUPEE-MNOVXSKESA-N 1 0 276.340 2.335 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449694264 282333136 /nfs/dbraw/zinc/33/31/36/282333136.db2.gz BGDTXGWKSAHQNN-LLVKDONJSA-N 1 0 297.380 2.083 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000096848022 344242200 /nfs/dbraw/zinc/24/22/00/344242200.db2.gz MTMDVZWUQOZLBC-MRXNPFEDSA-N 1 0 298.346 2.333 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541481 344337314 /nfs/dbraw/zinc/33/73/14/344337314.db2.gz VXYOEGPDXSHMDP-CHWSQXEVSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1c(C[N@@H+](C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000134845129 344378209 /nfs/dbraw/zinc/37/82/09/344378209.db2.gz SIMNTTQWOPOZJF-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159336648 344454335 /nfs/dbraw/zinc/45/43/35/344454335.db2.gz WFMRGCBSYIUBEJ-WDEREUQCSA-N 1 0 262.313 2.029 20 5 CEBDRO O=[N+]([O-])c1ncccc1NCC[NH+]1CCCCCC1 ZINC000159326551 344454668 /nfs/dbraw/zinc/45/46/68/344454668.db2.gz SSQKDXBHURLPCW-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2nc[nH]c2C1 ZINC000220532534 344538653 /nfs/dbraw/zinc/53/86/53/344538653.db2.gz CTXAZABAAJPQKX-VIFPVBQESA-N 1 0 286.291 2.062 20 5 CEBDRO Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000228560672 344560832 /nfs/dbraw/zinc/56/08/32/344560832.db2.gz DKONBNHCDMYECX-SNVBAGLBSA-N 1 0 274.280 2.378 20 5 CEBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229935057 344569340 /nfs/dbraw/zinc/56/93/40/344569340.db2.gz JAPVTUHZQZUFIK-LLVKDONJSA-N 1 0 295.730 2.298 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCO3)nc2c1 ZINC000602499209 347058622 /nfs/dbraw/zinc/05/86/22/347058622.db2.gz PDCXEIOXDXTZIY-JTQLQIEISA-N 1 0 277.280 2.005 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415499193 530003028 /nfs/dbraw/zinc/00/30/28/530003028.db2.gz JUBCJIUACOVXKZ-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@@H](O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272624247 344667936 /nfs/dbraw/zinc/66/79/36/344667936.db2.gz VEUHLEKSSBMZEG-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285320243 344678588 /nfs/dbraw/zinc/67/85/88/344678588.db2.gz MXYPSSSWFZNQRZ-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO COc1cc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000311568250 344734874 /nfs/dbraw/zinc/73/48/74/344734874.db2.gz BKHLNHWZCFXOGH-SNVBAGLBSA-N 1 0 267.329 2.274 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000312515299 344738699 /nfs/dbraw/zinc/73/86/99/344738699.db2.gz ATUWJQRGEHJEAS-HTQZYQBOSA-N 1 0 293.352 2.152 20 5 CEBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000313449735 344742328 /nfs/dbraw/zinc/74/23/28/344742328.db2.gz BVIDKJUBJOFYGH-QMMMGPOBSA-N 1 0 295.730 2.168 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602549990 347073325 /nfs/dbraw/zinc/07/33/25/347073325.db2.gz HAOJJHZZVDOLLU-UHFFFAOYSA-N 1 0 292.257 2.474 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCCC[NH+]1CCCC1 ZINC000401176899 344867346 /nfs/dbraw/zinc/86/73/46/344867346.db2.gz XXYIDHMUPPYXPV-UHFFFAOYSA-N 1 0 268.292 2.027 20 5 CEBDRO Cc1sc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602577674 347085885 /nfs/dbraw/zinc/08/58/85/347085885.db2.gz IPESCDWLWPKXJR-SNVBAGLBSA-N 1 0 297.380 2.308 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000588071899 345037618 /nfs/dbraw/zinc/03/76/18/345037618.db2.gz NTLOOZCGBUIGCB-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053185 345112051 /nfs/dbraw/zinc/11/20/51/345112051.db2.gz POJQXGJCRXTDSO-FYBPAHAJSA-N 1 0 288.347 2.168 20 5 CEBDRO CCC(C)(C)[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000590778305 345180063 /nfs/dbraw/zinc/18/00/63/345180063.db2.gz TXPZSTUDULWGCQ-SNVBAGLBSA-N 1 0 254.334 2.206 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000590375323 345131585 /nfs/dbraw/zinc/13/15/85/345131585.db2.gz HJPFKCYTMNIBKM-ZJUUUORDSA-N 1 0 278.308 2.222 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000590657809 345156336 /nfs/dbraw/zinc/15/63/36/345156336.db2.gz NULACFQUGORIQZ-KGLIPLIRSA-N 1 0 292.335 2.335 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160947 345227044 /nfs/dbraw/zinc/22/70/44/345227044.db2.gz MVDCCNUCAIRBQX-ZYHUDNBSSA-N 1 0 294.330 2.192 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000591673417 345273082 /nfs/dbraw/zinc/27/30/82/345273082.db2.gz VEGYKMKKWPHMEL-JTQLQIEISA-N 1 0 299.277 2.087 20 5 CEBDRO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC000591895831 345294389 /nfs/dbraw/zinc/29/43/89/345294389.db2.gz DMWNCBHSMWVEIL-SNVBAGLBSA-N 1 0 278.356 2.231 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N)nc1 ZINC000592432701 345352578 /nfs/dbraw/zinc/35/25/78/345352578.db2.gz OCHHHWOOMDPBAG-UHFFFAOYSA-N 1 0 286.335 2.077 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593108859 345441040 /nfs/dbraw/zinc/44/10/40/345441040.db2.gz DVQIBHXOJZKHOJ-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[N@H+]1C ZINC000127445805 187306399 /nfs/dbraw/zinc/30/63/99/187306399.db2.gz VSIGEUBNUADSOU-PHIMTYICSA-N 1 0 281.331 2.258 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H](CO)CCF)C1CC1 ZINC000593718532 345526699 /nfs/dbraw/zinc/52/66/99/345526699.db2.gz IKMCFSKYHIKGTI-UONOGXRCSA-N 1 0 296.342 2.226 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000602579454 347086639 /nfs/dbraw/zinc/08/66/39/347086639.db2.gz SSVUIRGNESDAEA-LLVKDONJSA-N 1 0 295.314 2.077 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CO)CCC1 ZINC000594500386 345639049 /nfs/dbraw/zinc/63/90/49/345639049.db2.gz LPOHRKTYCAVAFA-ZDUSSCGKSA-N 1 0 276.336 2.334 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000594590795 345653101 /nfs/dbraw/zinc/65/31/01/345653101.db2.gz BWUAZAZNIAKKCX-PHIMTYICSA-N 1 0 290.367 2.315 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595106152 345742819 /nfs/dbraw/zinc/74/28/19/345742819.db2.gz JXCXFVKZBWGQPN-BNOWGMLFSA-N 1 0 262.309 2.349 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000595306550 345759457 /nfs/dbraw/zinc/75/94/57/345759457.db2.gz OLNVHBPTHWMYLA-CQSZACIVSA-N 1 0 293.342 2.404 20 5 CEBDRO C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000595264378 345751571 /nfs/dbraw/zinc/75/15/71/345751571.db2.gz WQAQATAORBZNSR-SNVBAGLBSA-N 1 0 294.355 2.035 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925121 345704430 /nfs/dbraw/zinc/70/44/30/345704430.db2.gz KSMAVCJOBREPCV-YPMHNXCESA-N 1 0 250.298 2.252 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926853 345705169 /nfs/dbraw/zinc/70/51/69/345705169.db2.gz WATAIKZQVSVQLX-RDBQEKCUSA-N 1 0 292.335 2.443 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936849 345709204 /nfs/dbraw/zinc/70/92/04/345709204.db2.gz WXWCXTRZODJRRM-LYIQGSDWSA-N 1 0 292.335 2.443 20 5 CEBDRO C[NH+](C)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298090 345757639 /nfs/dbraw/zinc/75/76/39/345757639.db2.gz MKEPZLASAUATPO-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCO ZINC000595009885 345726346 /nfs/dbraw/zinc/72/63/46/345726346.db2.gz UEMSYFLYYCQPMV-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000595024188 345729648 /nfs/dbraw/zinc/72/96/48/345729648.db2.gz YIFALTTYNCWNPE-UWVGGRQHSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000595034535 345732130 /nfs/dbraw/zinc/73/21/30/345732130.db2.gz XJPBZOBCWOWBMN-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000595039637 345732879 /nfs/dbraw/zinc/73/28/79/345732879.db2.gz UPDZHLAOHRUHAL-NEPJUHHUSA-N 1 0 295.383 2.452 20 5 CEBDRO COC[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000595059909 345736709 /nfs/dbraw/zinc/73/67/09/345736709.db2.gz ILUGFAIONVDNJS-SMDDNHRTSA-N 1 0 282.340 2.297 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595061581 345737415 /nfs/dbraw/zinc/73/74/15/345737415.db2.gz RVHIQFKQRZNNFX-CORIIIEPSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595347252 345766354 /nfs/dbraw/zinc/76/63/54/345766354.db2.gz PESDCWZFCYEFEN-CMPLNLGQSA-N 1 0 296.371 2.196 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508756 345798959 /nfs/dbraw/zinc/79/89/59/345798959.db2.gz BGOHJQJDWWJBEE-NEPJUHHUSA-N 1 0 296.298 2.165 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000595515585 345801695 /nfs/dbraw/zinc/80/16/95/345801695.db2.gz YRJDOKNFJSGTBU-QJPTWQEYSA-N 1 0 295.339 2.017 20 5 CEBDRO CO[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1(C)C ZINC000595519629 345801976 /nfs/dbraw/zinc/80/19/76/345801976.db2.gz APJOEAZXHYZLDI-LLVKDONJSA-N 1 0 283.328 2.138 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827863 345887299 /nfs/dbraw/zinc/88/72/99/345887299.db2.gz SUIOJAHTTFNZKR-RYUDHWBXSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835779 345892463 /nfs/dbraw/zinc/89/24/63/345892463.db2.gz VLEUBNRAFGUJMN-AAEUAGOBSA-N 1 0 292.335 2.072 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776403 345874044 /nfs/dbraw/zinc/87/40/44/345874044.db2.gz AWXYJZRJIRFBIX-KGLIPLIRSA-N 1 0 276.336 2.296 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808609 345880271 /nfs/dbraw/zinc/88/02/71/345880271.db2.gz DHTNWWWZGMVSAK-JQWIXIFHSA-N 1 0 290.319 2.223 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809607 345880901 /nfs/dbraw/zinc/88/09/01/345880901.db2.gz HZGOAHBAHMECRC-ZYHUDNBSSA-N 1 0 262.309 2.445 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC2CC1(C[NH3+])C2 ZINC000595903063 345910747 /nfs/dbraw/zinc/91/07/47/345910747.db2.gz GYNGKJIAYWTKHN-BZUNDVKYSA-N 1 0 275.352 2.387 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000595941541 345916192 /nfs/dbraw/zinc/91/61/92/345916192.db2.gz RPUGSVGYEIHJCL-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000595952350 345917447 /nfs/dbraw/zinc/91/74/47/345917447.db2.gz ZNLLOXUKHGUDFE-CQSZACIVSA-N 1 0 293.367 2.017 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000596016784 345923596 /nfs/dbraw/zinc/92/35/96/345923596.db2.gz UQWLJXNQGGWGOB-ZDUSSCGKSA-N 1 0 296.758 2.223 20 5 CEBDRO CC[C@@H](NC(=O)CCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000236889272 370646740 /nfs/dbraw/zinc/64/67/40/370646740.db2.gz RCOGQEIHZLZTFX-CYBMUJFWSA-N 1 0 279.340 2.162 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNCc1csc([N+](=O)[O-])c1 ZINC000596101324 345939974 /nfs/dbraw/zinc/93/99/74/345939974.db2.gz FTBIYRZUWBIIFF-SNVBAGLBSA-N 1 0 257.359 2.119 20 5 CEBDRO CCCC[N@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596120866 345944415 /nfs/dbraw/zinc/94/44/15/345944415.db2.gz BOTJBPIMGGWCMM-UHFFFAOYSA-N 1 0 286.763 2.209 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596237467 345976872 /nfs/dbraw/zinc/97/68/72/345976872.db2.gz YGEGMSSBGNWMNP-SNVBAGLBSA-N 1 0 282.344 2.228 20 5 CEBDRO C[C@H](CCNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425840 346020118 /nfs/dbraw/zinc/02/01/18/346020118.db2.gz WOUOEXJSTPAEAE-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)c1 ZINC000596431828 346022041 /nfs/dbraw/zinc/02/20/41/346022041.db2.gz NHLPYBFUFFADPB-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596308396 345995933 /nfs/dbraw/zinc/99/59/33/345995933.db2.gz RNGZXMOMLIQMKZ-GFCCVEGCSA-N 1 0 292.383 2.252 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295121714 199357222 /nfs/dbraw/zinc/35/72/22/199357222.db2.gz NIRHVJKZBDDOPN-CQSZACIVSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@H](C)O)CC1 ZINC000597235057 346157254 /nfs/dbraw/zinc/15/72/54/346157254.db2.gz SNQXLIHHLUTJTO-RYUDHWBXSA-N 1 0 278.352 2.419 20 5 CEBDRO COC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000181079169 232398726 /nfs/dbraw/zinc/39/87/26/232398726.db2.gz PQQHLBDTEGLXBQ-UHFFFAOYSA-N 1 0 256.327 2.315 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)C2CC2)c([N+](=O)[O-])cc1O ZINC000295131904 199361724 /nfs/dbraw/zinc/36/17/24/199361724.db2.gz YELIYMVYZPRSCP-MRVPVSSYSA-N 1 0 266.297 2.197 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)F ZINC000295130723 199362210 /nfs/dbraw/zinc/36/22/10/199362210.db2.gz YAPSPAWBPYHJOE-RYUDHWBXSA-N 1 0 288.294 2.397 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142448 199369037 /nfs/dbraw/zinc/36/90/37/199369037.db2.gz IWVISXULLGQRMO-JTQLQIEISA-N 1 0 265.313 2.230 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@H+](CC)C1 ZINC000598042597 346274546 /nfs/dbraw/zinc/27/45/46/346274546.db2.gz QLDDBDDXLQEUSK-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000598343043 346332118 /nfs/dbraw/zinc/33/21/18/346332118.db2.gz POGCFBYKTVUWQG-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062161080 362713413 /nfs/dbraw/zinc/71/34/13/362713413.db2.gz YIUQSHOIJVIUAP-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC1CC[NH+](C)CC1 ZINC000314736544 201930057 /nfs/dbraw/zinc/93/00/57/201930057.db2.gz HAILTGMWFPLXQP-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO Cc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719190 346407406 /nfs/dbraw/zinc/40/74/06/346407406.db2.gz LWDKAGRQGUKSHS-UKRRQHHQSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598647696 346392333 /nfs/dbraw/zinc/39/23/33/346392333.db2.gz CTJBDWCXZZRSLA-OCCSQVGLSA-N 1 0 278.352 2.088 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647125 346392385 /nfs/dbraw/zinc/39/23/85/346392385.db2.gz NRRXASZHNOLFKK-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO COc1cc(C[NH2+]CC2CC(C)C2)c([N+](=O)[O-])cc1O ZINC000598648386 346393086 /nfs/dbraw/zinc/39/30/86/346393086.db2.gz OEVBJGITEYMHAB-UHFFFAOYSA-N 1 0 280.324 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000599010637 346446084 /nfs/dbraw/zinc/44/60/84/346446084.db2.gz SUKNQZWYEAIGHQ-RISCZKNCSA-N 1 0 280.299 2.391 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943384 362735832 /nfs/dbraw/zinc/73/58/32/362735832.db2.gz JKQDGSQLUOKGDV-LLVKDONJSA-N 1 0 279.315 2.408 20 5 CEBDRO C/C=C/C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599078048 346456892 /nfs/dbraw/zinc/45/68/92/346456892.db2.gz DBHOJZCSLBXGHJ-FQVTYBBZSA-N 1 0 264.329 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000599164728 346470743 /nfs/dbraw/zinc/47/07/43/346470743.db2.gz KZVPEJJPCWYMHH-CYBMUJFWSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599589361 346543257 /nfs/dbraw/zinc/54/32/57/346543257.db2.gz RVSJGHDCCAYMJS-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599605435 346545315 /nfs/dbraw/zinc/54/53/15/346545315.db2.gz WCUZKAINVCJWJN-MNOVXSKESA-N 1 0 292.339 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599640272 346551954 /nfs/dbraw/zinc/55/19/54/346551954.db2.gz SWVWDDBQWVCSOQ-GOEBONIOSA-N 1 0 290.363 2.232 20 5 CEBDRO Cc1ccc([C@@H](C)C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000600142489 346604849 /nfs/dbraw/zinc/60/48/49/346604849.db2.gz OOCOSTXCHHPBBT-ZDUSSCGKSA-N 1 0 288.351 2.493 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600311007 346633469 /nfs/dbraw/zinc/63/34/69/346633469.db2.gz NJOSZQZXMRFEEI-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000600312424 346633591 /nfs/dbraw/zinc/63/35/91/346633591.db2.gz RYVZYOBZMUGYDR-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129345310 365849469 /nfs/dbraw/zinc/84/94/69/365849469.db2.gz ODAUPDBISQNRGI-WLRWDXFRSA-N 1 0 284.381 2.150 20 5 CEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC000600793333 346691444 /nfs/dbraw/zinc/69/14/44/346691444.db2.gz NKEYOOJENZWEHE-UHFFFAOYSA-N 1 0 298.342 2.442 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC[C@@H]1O ZINC000601156110 346772501 /nfs/dbraw/zinc/77/25/01/346772501.db2.gz LHMXWBTXFQLALS-QMDMKJMKSA-N 1 0 262.309 2.111 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000601188194 346781281 /nfs/dbraw/zinc/78/12/81/346781281.db2.gz CYMZQTMCGKWFLF-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602619724 347106938 /nfs/dbraw/zinc/10/69/38/347106938.db2.gz PWWKGTUSYGCPFN-ZRMMWKCHSA-N 1 0 264.325 2.054 20 5 CEBDRO CCCC[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602673706 347135943 /nfs/dbraw/zinc/13/59/43/347135943.db2.gz BMNWNPIHBMKAPO-SNVBAGLBSA-N 1 0 254.334 2.339 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602674000 347136368 /nfs/dbraw/zinc/13/63/68/347136368.db2.gz BQHHGPQUFUQNIK-ZDUSSCGKSA-N 1 0 291.307 2.251 20 5 CEBDRO CS[C@@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794503 347201597 /nfs/dbraw/zinc/20/15/97/347201597.db2.gz CPIYTQCECCNAPN-GFCCVEGCSA-N 1 0 298.412 2.317 20 5 CEBDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803579 347206130 /nfs/dbraw/zinc/20/61/30/347206130.db2.gz CUDGYMPOLYXDCZ-LBPRGKRZSA-N 1 0 276.340 2.357 20 5 CEBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602805334 347206874 /nfs/dbraw/zinc/20/68/74/347206874.db2.gz KDOJTFIWXFBGAR-MRVPVSSYSA-N 1 0 293.327 2.055 20 5 CEBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819005 347212922 /nfs/dbraw/zinc/21/29/22/347212922.db2.gz PKLCDQXXUGPENZ-NEPJUHHUSA-N 1 0 298.412 2.482 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813976 347210680 /nfs/dbraw/zinc/21/06/80/347210680.db2.gz AYUUVLXCUWWVKP-MXWKQRLJSA-N 1 0 266.345 2.195 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000602739151 347180866 /nfs/dbraw/zinc/18/08/66/347180866.db2.gz JWOBLDXWOCBSQE-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)C(C)C ZINC000602761236 347187846 /nfs/dbraw/zinc/18/78/46/347187846.db2.gz AKBAIJUTYIMRPA-UHFFFAOYSA-N 1 0 268.361 2.466 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602931315 347250569 /nfs/dbraw/zinc/25/05/69/347250569.db2.gz PLRXBUHALVVKBK-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000602833342 347217600 /nfs/dbraw/zinc/21/76/00/347217600.db2.gz OZECIQFAITVSBK-CYBMUJFWSA-N 1 0 278.356 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000602844662 347221285 /nfs/dbraw/zinc/22/12/85/347221285.db2.gz FTAVFLGSIPHYJY-AXFHLTTASA-N 1 0 266.345 2.076 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000085982723 179210291 /nfs/dbraw/zinc/21/02/91/179210291.db2.gz LVZOJIBSFUFKFV-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[NH2+]Cc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250095 347321365 /nfs/dbraw/zinc/32/13/65/347321365.db2.gz JQALIMYWUYSJKR-LLVKDONJSA-N 1 0 289.339 2.214 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC000603405482 347360857 /nfs/dbraw/zinc/36/08/57/347360857.db2.gz JFULLYHLFOYDLD-WDEREUQCSA-N 1 0 264.329 2.130 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC000603406678 347361373 /nfs/dbraw/zinc/36/13/73/347361373.db2.gz NLCFGCQJPFAGEK-YUMQZZPRSA-N 1 0 270.358 2.192 20 5 CEBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435780 347370052 /nfs/dbraw/zinc/37/00/52/347370052.db2.gz ZFMYWULDRMUKQV-BIMULSAOSA-N 1 0 263.341 2.371 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000065945402 362847963 /nfs/dbraw/zinc/84/79/63/362847963.db2.gz BUXIMEPRYYZQSG-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO C[N@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000608886367 347623273 /nfs/dbraw/zinc/62/32/73/347623273.db2.gz ASHDENVYYWLXDY-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+](C)C ZINC000610111747 347660465 /nfs/dbraw/zinc/66/04/65/347660465.db2.gz BMNRXIPKJPVEQJ-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCc3sccc3C2)c1 ZINC000610447871 347681983 /nfs/dbraw/zinc/68/19/83/347681983.db2.gz MFHCNKADHAKDDD-UHFFFAOYSA-N 1 0 292.364 2.301 20 5 CEBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585528 347694422 /nfs/dbraw/zinc/69/44/22/347694422.db2.gz RXSYHIDMXCIJKF-AAEUAGOBSA-N 1 0 289.335 2.408 20 5 CEBDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762500 347712350 /nfs/dbraw/zinc/71/23/50/347712350.db2.gz QGGLPLHEKMLZMA-RISCZKNCSA-N 1 0 289.335 2.408 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000610762783 347712748 /nfs/dbraw/zinc/71/27/48/347712748.db2.gz VIWXDRFRNXVMGB-AAEUAGOBSA-N 1 0 292.335 2.467 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)C(C)C ZINC000336837599 365908977 /nfs/dbraw/zinc/90/89/77/365908977.db2.gz LYHMLTMPSDXWAA-UHFFFAOYSA-N 1 0 283.376 2.262 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610282344 347669780 /nfs/dbraw/zinc/66/97/80/347669780.db2.gz MZKKHJNZPWADIJ-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611370865 347770526 /nfs/dbraw/zinc/77/05/26/347770526.db2.gz ZUQQJHQGQDERJA-VHSXEESVSA-N 1 0 287.410 2.138 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000611370627 347770738 /nfs/dbraw/zinc/77/07/38/347770738.db2.gz MBCBSCDLUGQDBR-SNVBAGLBSA-N 1 0 255.343 2.408 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610990631 347727298 /nfs/dbraw/zinc/72/72/98/347727298.db2.gz DKZDLSHWKWKVBO-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084401 347737310 /nfs/dbraw/zinc/73/73/10/347737310.db2.gz PNGKSIDJSNQDOT-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[NH+](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336844527 365918702 /nfs/dbraw/zinc/91/87/02/365918702.db2.gz ZUZFORZJRXYQHC-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H](F)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872614 219233008 /nfs/dbraw/zinc/23/30/08/219233008.db2.gz FCSYHBWEWLHABR-WDEREUQCSA-N 1 0 282.319 2.224 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087028143 179381911 /nfs/dbraw/zinc/38/19/11/179381911.db2.gz NMXUJZKTXJSAAM-GFCCVEGCSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000128878198 187395940 /nfs/dbraw/zinc/39/59/40/187395940.db2.gz HHTFWXXYYQIREB-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO COc1cc(C[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000351970788 219271477 /nfs/dbraw/zinc/27/14/77/219271477.db2.gz JFHCLIDXCFXDQX-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000271002061 190902238 /nfs/dbraw/zinc/90/22/38/190902238.db2.gz QJDSJDOTSUEQCX-MNOVXSKESA-N 1 0 292.257 2.386 20 5 CEBDRO C[C@H](C(=O)NCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617728988 348774804 /nfs/dbraw/zinc/77/48/04/348774804.db2.gz DHRJCUHIRNYSAW-LBPRGKRZSA-N 1 0 293.367 2.156 20 5 CEBDRO NC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000339533151 215232263 /nfs/dbraw/zinc/23/22/63/215232263.db2.gz CTCDKSAGAVTMNV-OAHLLOKOSA-N 1 0 299.330 2.301 20 5 CEBDRO Cc1cnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000090692112 180024471 /nfs/dbraw/zinc/02/44/71/180024471.db2.gz MMMHZMXBQSGPTB-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720516 180030560 /nfs/dbraw/zinc/03/05/60/180030560.db2.gz PPUVXBIOLHYDPG-DGCLKSJQSA-N 1 0 263.341 2.167 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412069614 233329768 /nfs/dbraw/zinc/32/97/68/233329768.db2.gz FVAOVTCWTNWAMS-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412087502 233335029 /nfs/dbraw/zinc/33/50/29/233335029.db2.gz OZIPSENTVWDVDX-AAEUAGOBSA-N 1 0 264.325 2.188 20 5 CEBDRO CCC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352183329 219347639 /nfs/dbraw/zinc/34/76/39/219347639.db2.gz CESUDDADYAMSST-LBPRGKRZSA-N 1 0 283.303 2.403 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000339747453 215322808 /nfs/dbraw/zinc/32/28/08/215322808.db2.gz JZDHOEADUCWIGL-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000107829632 186194101 /nfs/dbraw/zinc/19/41/01/186194101.db2.gz UUKLPXGHLSQYBJ-CMPLNLGQSA-N 1 0 262.313 2.029 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000109705382 186268403 /nfs/dbraw/zinc/26/84/03/186268403.db2.gz MSCVLDNQZJKZSW-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000110939743 186334408 /nfs/dbraw/zinc/33/44/08/186334408.db2.gz AIHNOJQPXIZZDG-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)CSC)cc1[N+](=O)[O-] ZINC000130726030 365984886 /nfs/dbraw/zinc/98/48/86/365984886.db2.gz VDWGMERKRHVEAF-SECBINFHSA-N 1 0 270.354 2.445 20 5 CEBDRO Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110791465 186324326 /nfs/dbraw/zinc/32/43/26/186324326.db2.gz BMHDCNVOWIHTMP-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791445 186324540 /nfs/dbraw/zinc/32/45/40/186324540.db2.gz LSIWGVHTGQBXPH-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO COCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312335 186571428 /nfs/dbraw/zinc/57/14/28/186571428.db2.gz BTQFEZHFHIFWMC-UHFFFAOYSA-N 1 0 293.348 2.454 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000569062879 299176351 /nfs/dbraw/zinc/17/63/51/299176351.db2.gz WYYFCCMNBFDADA-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074728 363026749 /nfs/dbraw/zinc/02/67/49/363026749.db2.gz LNHOHGCIBFPUSG-RYUDHWBXSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171982 363045276 /nfs/dbraw/zinc/04/52/76/363045276.db2.gz WMOHZRSPFXHXFI-MWLCHTKSSA-N 1 0 269.370 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070149075 363036403 /nfs/dbraw/zinc/03/64/03/363036403.db2.gz ZBXARYKHNVHDMJ-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO C[NH2+]CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000070189094 363050960 /nfs/dbraw/zinc/05/09/60/363050960.db2.gz UGIASKFPGUHRSJ-UHFFFAOYSA-N 1 0 283.397 2.478 20 5 CEBDRO C[NH2+]CCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000070189238 363051161 /nfs/dbraw/zinc/05/11/61/363051161.db2.gz HPMUCLZCCDJKRL-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000121818290 186997826 /nfs/dbraw/zinc/99/78/26/186997826.db2.gz SAPKVQSNROVVDA-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000123443934 187092143 /nfs/dbraw/zinc/09/21/43/187092143.db2.gz UBBILADABXMWBH-VHSXEESVSA-N 1 0 297.380 2.211 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072697437 363158155 /nfs/dbraw/zinc/15/81/55/363158155.db2.gz DVVWSGPFOPLWHV-PHIMTYICSA-N 1 0 291.351 2.457 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857740 363171393 /nfs/dbraw/zinc/17/13/93/363171393.db2.gz ZTFBKUDGRRNPEW-CQSZACIVSA-N 1 0 277.368 2.368 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530149 191194736 /nfs/dbraw/zinc/19/47/36/191194736.db2.gz RWPBVVFEJGTMMC-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530137 191195072 /nfs/dbraw/zinc/19/50/72/191195072.db2.gz RWPBVVFEJGTMMC-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134795850 187773541 /nfs/dbraw/zinc/77/35/41/187773541.db2.gz DSCYGTNOMACSKL-NSHDSACASA-N 1 0 297.742 2.024 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158431609 290346746 /nfs/dbraw/zinc/34/67/46/290346746.db2.gz RDGAEBCSTONYSM-SNVBAGLBSA-N 1 0 279.340 2.018 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153918104 188111901 /nfs/dbraw/zinc/11/19/01/188111901.db2.gz KLGKDNRMSRZKBH-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]([N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295183235 199393755 /nfs/dbraw/zinc/39/37/55/199393755.db2.gz QAMRUTRVCMFCCJ-GFCCVEGCSA-N 1 0 296.367 2.455 20 5 CEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074073637 363290988 /nfs/dbraw/zinc/29/09/88/363290988.db2.gz ZWULAAMOCWCIED-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000074334018 363327162 /nfs/dbraw/zinc/32/71/62/363327162.db2.gz PIIAYGAVOIUROP-UHFFFAOYSA-N 1 0 299.330 2.244 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451502034 283013272 /nfs/dbraw/zinc/01/32/72/283013272.db2.gz PHBPKLLOYLZRMR-UONOGXRCSA-N 1 0 294.351 2.377 20 5 CEBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247422 366208586 /nfs/dbraw/zinc/20/85/86/366208586.db2.gz RVRKMAAAHMMFTC-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451571059 283038213 /nfs/dbraw/zinc/03/82/13/283038213.db2.gz POCKYNBOLDCGKK-RISCZKNCSA-N 1 0 294.351 2.460 20 5 CEBDRO Cc1cc(NCCC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074745439 363381274 /nfs/dbraw/zinc/38/12/74/363381274.db2.gz MOWISFXJBQQMLT-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000451633932 283059026 /nfs/dbraw/zinc/05/90/26/283059026.db2.gz SBQKQKZPZKWSDC-DGCLKSJQSA-N 1 0 298.314 2.400 20 5 CEBDRO CCOCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362650 366318038 /nfs/dbraw/zinc/31/80/38/366318038.db2.gz SVIILUQBUJZJHC-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000338380496 366329398 /nfs/dbraw/zinc/32/93/98/366329398.db2.gz KGNKDQATMJXNQU-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134549150 366337295 /nfs/dbraw/zinc/33/72/95/366337295.db2.gz PBWVZZDLBFCZJE-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338432677 366356314 /nfs/dbraw/zinc/35/63/14/366356314.db2.gz WCQKANWKIABDJI-UHFFFAOYSA-N 1 0 280.328 2.057 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)CO ZINC000134980220 366380900 /nfs/dbraw/zinc/38/09/00/366380900.db2.gz VFGUXTDJEXRYPI-RKDXNWHRSA-N 1 0 272.732 2.355 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313037335 535361765 /nfs/dbraw/zinc/36/17/65/535361765.db2.gz YOMWKGMLGSWMHG-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCCO1 ZINC000176235740 283269064 /nfs/dbraw/zinc/26/90/64/283269064.db2.gz JSBUSZXIJWBRPX-ZDUSSCGKSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527691 299263282 /nfs/dbraw/zinc/26/32/82/299263282.db2.gz QZGXLPWESFQWMK-BXUZGUMPSA-N 1 0 277.368 2.369 20 5 CEBDRO Cc1cn2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc2n1 ZINC000294360279 199011420 /nfs/dbraw/zinc/01/14/20/199011420.db2.gz ATNLSAPVOBPPAM-UHFFFAOYSA-N 1 0 290.323 2.417 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294851627 199212998 /nfs/dbraw/zinc/21/29/98/199212998.db2.gz SCDRYRSSHKYXHD-UHFFFAOYSA-N 1 0 266.341 2.354 20 5 CEBDRO Cc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136128759 366497303 /nfs/dbraw/zinc/49/73/03/366497303.db2.gz AEWSNDAYTJTCEU-AWEZNQCLSA-N 1 0 277.324 2.374 20 5 CEBDRO C[N@@H+](Cc1ccco1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813959 366526658 /nfs/dbraw/zinc/52/66/58/366526658.db2.gz VKOIKCYSYUWASD-CQSZACIVSA-N 1 0 276.292 2.353 20 5 CEBDRO CC[C@@H](COC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000079743226 363626448 /nfs/dbraw/zinc/62/64/48/363626448.db2.gz KXRWMHFRZHBCFV-LBPRGKRZSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cc(F)c(NC(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000296798892 200000754 /nfs/dbraw/zinc/00/07/54/200000754.db2.gz QQCOYKZBFZJNCE-VIFPVBQESA-N 1 0 298.318 2.114 20 5 CEBDRO C[C@H]([NH2+]Cc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC000341585046 216022177 /nfs/dbraw/zinc/02/21/77/216022177.db2.gz KRJOPXAVIKQSRV-VIFPVBQESA-N 1 0 290.275 2.104 20 5 CEBDRO CN(C)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000418115552 237291582 /nfs/dbraw/zinc/29/15/82/237291582.db2.gz OYRHHAZBDOIZMZ-FNORWQNLSA-N 1 0 275.352 2.292 20 5 CEBDRO CN(C)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000418115551 237293876 /nfs/dbraw/zinc/29/38/76/237293876.db2.gz OYRHHAZBDOIZMZ-ALCCZGGFSA-N 1 0 275.352 2.292 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000137111039 366535825 /nfs/dbraw/zinc/53/58/25/366535825.db2.gz DAEBLGIXMNLMPM-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000139805448 366558726 /nfs/dbraw/zinc/55/87/26/366558726.db2.gz RUAVCPAAVYCUOM-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000080899391 363688733 /nfs/dbraw/zinc/68/87/33/363688733.db2.gz YJGLLDAYFDFRKD-GFCCVEGCSA-N 1 0 272.732 2.499 20 5 CEBDRO CC(=O)c1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298301039 200388371 /nfs/dbraw/zinc/38/83/71/200388371.db2.gz MCRBPRUQVMSLPT-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341938191 216159396 /nfs/dbraw/zinc/15/93/96/216159396.db2.gz TWODFABXCIXCNU-CHWSQXEVSA-N 1 0 292.383 2.395 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000177850124 189074237 /nfs/dbraw/zinc/07/42/37/189074237.db2.gz LIMWFKSXHZIZDV-LLVKDONJSA-N 1 0 254.334 2.159 20 5 CEBDRO CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000178021313 189086277 /nfs/dbraw/zinc/08/62/77/189086277.db2.gz PKALYQJBKDONBJ-GXFFZTMASA-N 1 0 279.340 2.112 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373477 189111281 /nfs/dbraw/zinc/11/12/81/189111281.db2.gz KDTYSVXLENEKSK-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380057 189111952 /nfs/dbraw/zinc/11/19/52/189111952.db2.gz FMEIXHXGTWGATP-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(F)c1 ZINC000275057921 192896842 /nfs/dbraw/zinc/89/68/42/192896842.db2.gz NZOJMAATBUMUMO-IINYFYTJSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342236569 216272690 /nfs/dbraw/zinc/27/26/90/216272690.db2.gz VOQQMRPKFNVGRX-CYBMUJFWSA-N 1 0 266.341 2.257 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180431236 189254429 /nfs/dbraw/zinc/25/44/29/189254429.db2.gz QWGFCFWBQYHXIT-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1c(C[NH2+][C@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000180619709 189265585 /nfs/dbraw/zinc/26/55/85/189265585.db2.gz VNGRHECUTUJMBT-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153912808 366744583 /nfs/dbraw/zinc/74/45/83/366744583.db2.gz XNLIAYUBWNRMFP-KOLCDFICSA-N 1 0 298.774 2.420 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1C ZINC000154453509 366773766 /nfs/dbraw/zinc/77/37/66/366773766.db2.gz WCGMBTDSADYENC-NSHDSACASA-N 1 0 277.324 2.326 20 5 CEBDRO CCC[NH2+]CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000154538299 366777553 /nfs/dbraw/zinc/77/75/53/366777553.db2.gz ONAVGLOYSIVUSR-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018178754 361517352 /nfs/dbraw/zinc/51/73/52/361517352.db2.gz IFUCZFGWYWRKOU-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO C[NH+](C)CCN1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301996364 201292456 /nfs/dbraw/zinc/29/24/56/201292456.db2.gz PTWHDSBLUFCDQS-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO CN(CCC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000302042238 201314210 /nfs/dbraw/zinc/31/42/10/201314210.db2.gz WWQSUZHECGMERF-UHFFFAOYSA-N 1 0 272.736 2.031 20 5 CEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302135877 201358309 /nfs/dbraw/zinc/35/83/09/201358309.db2.gz AZGLTBAXRJTJDY-GFCCVEGCSA-N 1 0 293.371 2.451 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000093873469 364237075 /nfs/dbraw/zinc/23/70/75/364237075.db2.gz QQMZNBMTRRMSJV-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380316 364802927 /nfs/dbraw/zinc/80/29/27/364802927.db2.gz XOQXKNYERAOXMJ-NHYWBVRUSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1ccc(C[NH2+][C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120249088 365395657 /nfs/dbraw/zinc/39/56/57/365395657.db2.gz NJVZMYGVOSMMIA-CYBMUJFWSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583261717 367023461 /nfs/dbraw/zinc/02/34/61/367023461.db2.gz CXSAPHGXLJEUOT-HBNTYKKESA-N 1 0 294.355 2.081 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500321 367092118 /nfs/dbraw/zinc/09/21/18/367092118.db2.gz PSFBSMVYZNKPLY-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000341293577 367272897 /nfs/dbraw/zinc/27/28/97/367272897.db2.gz PTFRVVPMNDWNTG-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721531 367499511 /nfs/dbraw/zinc/49/95/11/367499511.db2.gz NKKKWSPZEQZCLT-IAQYHMDHSA-N 1 0 294.351 2.460 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000171564594 367568596 /nfs/dbraw/zinc/56/85/96/367568596.db2.gz BEOBSKPMJRXNDA-UHFFFAOYSA-N 1 0 297.380 2.070 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434451 367911357 /nfs/dbraw/zinc/91/13/57/367911357.db2.gz VWXAZTKPCFETHT-GBIKHYSHSA-N 1 0 284.381 2.358 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000343552531 367879739 /nfs/dbraw/zinc/87/97/39/367879739.db2.gz WBGPSVDKBIPWLW-GFCCVEGCSA-N 1 0 275.352 2.436 20 5 CEBDRO COCC[N@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318155 367895858 /nfs/dbraw/zinc/89/58/58/367895858.db2.gz HJMUBARALYCBCL-ZDUSSCGKSA-N 1 0 295.383 2.214 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346044 367899047 /nfs/dbraw/zinc/89/90/47/367899047.db2.gz IBZPLINGSPAJEM-SWLSCSKDSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000344779277 368136086 /nfs/dbraw/zinc/13/60/86/368136086.db2.gz XSUYEOFZOYSWRS-SKDRFNHKSA-N 1 0 288.294 2.132 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000182687460 368580662 /nfs/dbraw/zinc/58/06/62/368580662.db2.gz MOPYWPPPOPJPGF-NSHDSACASA-N 1 0 266.345 2.350 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183364319 368624921 /nfs/dbraw/zinc/62/49/21/368624921.db2.gz QLERPOJPIIZFKN-CYBMUJFWSA-N 1 0 292.335 2.431 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000330597281 203018798 /nfs/dbraw/zinc/01/87/98/203018798.db2.gz CSCBAHOVIQYJBC-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(CN2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346643325 368748892 /nfs/dbraw/zinc/74/88/92/368748892.db2.gz CRBXNRQEVWYZEL-NWDGAFQWSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000348146314 368919697 /nfs/dbraw/zinc/91/96/97/368919697.db2.gz USYAVVIRBBDAGN-QWHCGFSZSA-N 1 0 294.351 2.378 20 5 CEBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000348574051 369094406 /nfs/dbraw/zinc/09/44/06/369094406.db2.gz ZSBQHNOQEOYHAA-MRXNPFEDSA-N 1 0 291.395 2.409 20 5 CEBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348482410 369059422 /nfs/dbraw/zinc/05/94/22/369059422.db2.gz VZGPVMCKISZANP-GXSJLCMTSA-N 1 0 284.385 2.092 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000349955982 369463717 /nfs/dbraw/zinc/46/37/17/369463717.db2.gz ATJCIUQOROMTQA-QMMMGPOBSA-N 1 0 293.348 2.277 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000189338655 369499677 /nfs/dbraw/zinc/49/96/77/369499677.db2.gz GXNASLBRVIPJJQ-UONOGXRCSA-N 1 0 294.351 2.243 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276265650 193263398 /nfs/dbraw/zinc/26/33/98/193263398.db2.gz SOPUDNZIKSBLOJ-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000189894716 369577553 /nfs/dbraw/zinc/57/75/53/369577553.db2.gz VVQFURTUTPZGDU-UHFFFAOYSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352400190 369710699 /nfs/dbraw/zinc/71/06/99/369710699.db2.gz PRKKULHZVZHCDN-JTQLQIEISA-N 1 0 250.298 2.445 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192015292 369764109 /nfs/dbraw/zinc/76/41/09/369764109.db2.gz MLKRJIHTQKFBGO-RYUDHWBXSA-N 1 0 293.367 2.315 20 5 CEBDRO CSc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000352802516 369883664 /nfs/dbraw/zinc/88/36/64/369883664.db2.gz UDAMQIOCORPAIN-UHFFFAOYSA-N 1 0 298.393 2.365 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(CO)CC2)c(F)c1 ZINC000352835106 369903634 /nfs/dbraw/zinc/90/36/34/369903634.db2.gz XIDZYTUUCJJQFK-UHFFFAOYSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000193277782 369915201 /nfs/dbraw/zinc/91/52/01/369915201.db2.gz QCGNSZPEFXVNBN-NSHDSACASA-N 1 0 252.314 2.326 20 5 CEBDRO COC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000353033898 369994141 /nfs/dbraw/zinc/99/41/41/369994141.db2.gz PCVLBDISALELEM-UHFFFAOYSA-N 1 0 292.335 2.213 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1cn[nH]c1 ZINC000353224525 370081425 /nfs/dbraw/zinc/08/14/25/370081425.db2.gz KECXSIMTZZMBMW-HWKANZROSA-N 1 0 272.308 2.163 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000227116119 370360411 /nfs/dbraw/zinc/36/04/11/370360411.db2.gz CAIDCVAUUIOZOX-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H](O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227952918 370389417 /nfs/dbraw/zinc/38/94/17/370389417.db2.gz NFIFQVFNEIGUSJ-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000228593084 370408090 /nfs/dbraw/zinc/40/80/90/370408090.db2.gz DMOLBLVEXZXUTJ-AAEUAGOBSA-N 1 0 264.325 2.418 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230222915 370446497 /nfs/dbraw/zinc/44/64/97/370446497.db2.gz LMYTVVGCENMULN-CQSZACIVSA-N 1 0 282.340 2.244 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230378357 370458807 /nfs/dbraw/zinc/45/88/07/370458807.db2.gz OJORUUKVZZCFNM-OAHLLOKOSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1cc(NCC(F)(F)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000231779664 370493291 /nfs/dbraw/zinc/49/32/91/370493291.db2.gz CCSJSONQZCQQCB-UHFFFAOYSA-N 1 0 297.261 2.491 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@H]1C ZINC000234889312 370546907 /nfs/dbraw/zinc/54/69/07/370546907.db2.gz JYBJRLKIBFCKEN-IINYFYTJSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235721514 370576172 /nfs/dbraw/zinc/57/61/72/370576172.db2.gz HLDFEWXXNQQEEC-GZMMTYOYSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1sc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236833982 370637410 /nfs/dbraw/zinc/63/74/10/370637410.db2.gz RYIUEHGRCVJPJC-GFCCVEGCSA-N 1 0 285.369 2.068 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000247028624 371050103 /nfs/dbraw/zinc/05/01/03/371050103.db2.gz UVWUQKRKSUHTLB-MNOVXSKESA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000247265617 371085136 /nfs/dbraw/zinc/08/51/36/371085136.db2.gz FHBCYDHFTUONLD-WCQYABFASA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248345685 371177549 /nfs/dbraw/zinc/17/75/49/371177549.db2.gz NBPZDCSCPSBVLU-NEPJUHHUSA-N 1 0 291.351 2.288 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249955195 371371985 /nfs/dbraw/zinc/37/19/85/371371985.db2.gz JDJHQJLWPFAEHG-BFHYXJOUSA-N 1 0 262.309 2.252 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000359560769 371470455 /nfs/dbraw/zinc/47/04/55/371470455.db2.gz ACMFMPMANFBFFW-MNOVXSKESA-N 1 0 281.360 2.014 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000361399886 371828931 /nfs/dbraw/zinc/82/89/31/371828931.db2.gz JZIHPVSNVGQERO-CYBMUJFWSA-N 1 0 272.308 2.238 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268463226 372109618 /nfs/dbraw/zinc/10/96/18/372109618.db2.gz HOSCIPXMKQHVBR-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796054 372226942 /nfs/dbraw/zinc/22/69/42/372226942.db2.gz BRXHUUZRGRTHEY-JSGCOSHPSA-N 1 0 291.351 2.256 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000269038480 372321478 /nfs/dbraw/zinc/32/14/78/372321478.db2.gz SXWIJIYXWHPUHN-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000269130696 372351231 /nfs/dbraw/zinc/35/12/31/372351231.db2.gz VDYNZJOOCZKPQY-GFCCVEGCSA-N 1 0 297.742 2.007 20 5 CEBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269672351 372527561 /nfs/dbraw/zinc/52/75/61/372527561.db2.gz VGNDNGNJKUMMHQ-AWEZNQCLSA-N 1 0 296.367 2.111 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000270220014 372707290 /nfs/dbraw/zinc/70/72/90/372707290.db2.gz YYRKVCQYDWVDIP-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000344761797 217302894 /nfs/dbraw/zinc/30/28/94/217302894.db2.gz QSPMTBCJFKBNOH-GFCCVEGCSA-N 1 0 278.352 2.421 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC1 ZINC000344811664 217319571 /nfs/dbraw/zinc/31/95/71/217319571.db2.gz MKYKACUTAUZNEU-LWMSPQMPSA-N 1 0 262.309 2.377 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1ccnc1 ZINC000344857000 217333972 /nfs/dbraw/zinc/33/39/72/217333972.db2.gz FPCXXEUPYATGHT-UKTHLTGXSA-N 1 0 286.335 2.484 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCO ZINC000271153208 373145376 /nfs/dbraw/zinc/14/53/76/373145376.db2.gz QXHCQCQKJFGISY-NSHDSACASA-N 1 0 284.381 2.438 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)c1 ZINC000369454421 373421501 /nfs/dbraw/zinc/42/15/01/373421501.db2.gz ZZPMUAMFLQXUMQ-JSGCOSHPSA-N 1 0 278.356 2.446 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272654028 373602323 /nfs/dbraw/zinc/60/23/23/373602323.db2.gz ZYEREJDDZRIVHP-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@H+]1CC=C(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000274040660 373792470 /nfs/dbraw/zinc/79/24/70/373792470.db2.gz XRRSMZMFLLMDAN-UHFFFAOYSA-N 1 0 265.288 2.408 20 5 CEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000373941639 374453615 /nfs/dbraw/zinc/45/36/15/374453615.db2.gz SKIZSWFHMYGGJK-AWEZNQCLSA-N 1 0 298.346 2.340 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282161153 375417142 /nfs/dbraw/zinc/41/71/42/375417142.db2.gz UFVOHMJCYBZAKN-DDTOSNHZSA-N 1 0 264.325 2.406 20 5 CEBDRO CC(C)OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282546091 375515063 /nfs/dbraw/zinc/51/50/63/375515063.db2.gz WPUWNZJGUDQPHZ-UHFFFAOYSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254612 375681135 /nfs/dbraw/zinc/68/11/35/375681135.db2.gz VQCLZXRIKLTHCK-ZWNOBZJWSA-N 1 0 282.315 2.469 20 5 CEBDRO C[NH+](C)C1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000283656951 375740389 /nfs/dbraw/zinc/74/03/89/375740389.db2.gz CWRAMHWEWWHPOO-UHFFFAOYSA-N 1 0 298.730 2.026 20 5 CEBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000284045890 375800706 /nfs/dbraw/zinc/80/07/06/375800706.db2.gz KBACGPJMFMQNSP-OUAUKWLOSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230875 375880128 /nfs/dbraw/zinc/88/01/28/375880128.db2.gz DQWYDONKXQDSFZ-NEPJUHHUSA-N 1 0 276.340 2.053 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000414649638 375898934 /nfs/dbraw/zinc/89/89/34/375898934.db2.gz AEICMJOVEJNOAL-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000414655216 375903118 /nfs/dbraw/zinc/90/31/18/375903118.db2.gz GTVLSSZCWCCSKL-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000414665335 375907477 /nfs/dbraw/zinc/90/74/77/375907477.db2.gz VGILJUWGUMGKSB-CQSZACIVSA-N 1 0 294.355 2.398 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286487988 375971497 /nfs/dbraw/zinc/97/14/97/375971497.db2.gz LPRXDNHNJKBIJG-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286532610 375985020 /nfs/dbraw/zinc/98/50/20/375985020.db2.gz TUPLSNWTQUVISU-SNVBAGLBSA-N 1 0 299.321 2.257 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261780787 190044041 /nfs/dbraw/zinc/04/40/41/190044041.db2.gz LCYKMDDLBAZUEE-WPRPVWTQSA-N 1 0 297.380 2.164 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000289624363 376424505 /nfs/dbraw/zinc/42/45/05/376424505.db2.gz SZMBGPKKEMUJNB-CQSZACIVSA-N 1 0 264.325 2.236 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC1(C)C ZINC000419309683 376439395 /nfs/dbraw/zinc/43/93/95/376439395.db2.gz CBCXXLLVYXPWGE-OLZOCXBDSA-N 1 0 293.367 2.171 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000289732091 376470284 /nfs/dbraw/zinc/47/02/84/376470284.db2.gz HYRNMSIRTGXVHJ-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCO)c2ccccc2)c1 ZINC000305840367 376513917 /nfs/dbraw/zinc/51/39/17/376513917.db2.gz QWRWKPCCLJMZFZ-HNNXBMFYSA-N 1 0 272.304 2.266 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCO)c2ccccc2)c1 ZINC000305840368 376514065 /nfs/dbraw/zinc/51/40/65/376514065.db2.gz QWRWKPCCLJMZFZ-OAHLLOKOSA-N 1 0 272.304 2.266 20 5 CEBDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574070846 299476595 /nfs/dbraw/zinc/47/65/95/299476595.db2.gz AEBHKQPQHLIDLF-GXTWGEPZSA-N 1 0 296.367 2.216 20 5 CEBDRO COc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000305863224 376523249 /nfs/dbraw/zinc/52/32/49/376523249.db2.gz YVEHXEYKNHRPTF-LLVKDONJSA-N 1 0 282.340 2.195 20 5 CEBDRO CCC(=O)c1ccc(NC[C@@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000420185162 376596939 /nfs/dbraw/zinc/59/69/39/376596939.db2.gz BMCBETQVUNYSAR-JTQLQIEISA-N 1 0 279.340 2.455 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000264314905 190103307 /nfs/dbraw/zinc/10/33/07/190103307.db2.gz DXVRNEIXTJXHAA-SNVBAGLBSA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@H](C[NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420213801 376621873 /nfs/dbraw/zinc/62/18/73/376621873.db2.gz IAUXLUPCNQSODS-ZCFIWIBFSA-N 1 0 278.234 2.015 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390093 376685778 /nfs/dbraw/zinc/68/57/78/376685778.db2.gz XXMMSGRQADXHCM-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000311951425 376696600 /nfs/dbraw/zinc/69/66/00/376696600.db2.gz MUYZCTVFLAREAL-QWHCGFSZSA-N 1 0 264.325 2.500 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1C ZINC000421012124 376790117 /nfs/dbraw/zinc/79/01/17/376790117.db2.gz SUVZDBHCVWNQPR-OAHLLOKOSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000423200200 377115402 /nfs/dbraw/zinc/11/54/02/377115402.db2.gz DUKFMZRABDBGPJ-NWDGAFQWSA-N 1 0 295.408 2.417 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[NH3+] ZINC000423176751 377087711 /nfs/dbraw/zinc/08/77/11/377087711.db2.gz CYMZEIWAEKDFQD-JTQLQIEISA-N 1 0 269.370 2.014 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000331135122 377296026 /nfs/dbraw/zinc/29/60/26/377296026.db2.gz IAHQLYFMVBUTQE-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293210656 377473830 /nfs/dbraw/zinc/47/38/30/377473830.db2.gz YFGYVLAZCHXECH-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2nccc(C)c2[N+](=O)[O-])C1 ZINC000265260901 190170470 /nfs/dbraw/zinc/17/04/70/190170470.db2.gz SKGPEUYRSMJOMF-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217957 377610984 /nfs/dbraw/zinc/61/09/84/377610984.db2.gz NKVGNKCQFKKSND-ZWNOBZJWSA-N 1 0 264.325 2.190 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000565241962 377621087 /nfs/dbraw/zinc/62/10/87/377621087.db2.gz AWFWAOVVQWHPCL-GNXNZQSNSA-N 1 0 262.309 2.492 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000313111848 249383837 /nfs/dbraw/zinc/38/38/37/249383837.db2.gz FRHJGHWLIDIHJA-CYBMUJFWSA-N 1 0 264.325 2.418 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192829 249388893 /nfs/dbraw/zinc/38/88/93/249388893.db2.gz OWFNAMVECJSSBW-DGCLKSJQSA-N 1 0 282.340 2.243 20 5 CEBDRO COC[C@H]1CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000293673603 377692279 /nfs/dbraw/zinc/69/22/79/377692279.db2.gz PAEVNDGVQNHEAZ-DIECRNLCSA-N 1 0 262.309 2.329 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768069 377748972 /nfs/dbraw/zinc/74/89/72/377748972.db2.gz RWIZKODKGMDDIG-YMTOWFKASA-N 1 0 279.340 2.253 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000567448014 377818778 /nfs/dbraw/zinc/81/87/78/377818778.db2.gz OSMHQEGKVPHMKG-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000265974402 190220167 /nfs/dbraw/zinc/22/01/67/190220167.db2.gz CMLVCXMSPNKHRN-LLVKDONJSA-N 1 0 294.311 2.033 20 5 CEBDRO Nc1c(F)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000443425273 378052455 /nfs/dbraw/zinc/05/24/55/378052455.db2.gz CXZVBLWPYPIFDA-UWVGGRQHSA-N 1 0 294.330 2.355 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@@H]1C ZINC000443515066 378058235 /nfs/dbraw/zinc/05/82/35/378058235.db2.gz JDUGIPDOIHKPJX-VHSXEESVSA-N 1 0 284.385 2.148 20 5 CEBDRO CCC[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295293350 378089111 /nfs/dbraw/zinc/08/91/11/378089111.db2.gz JLWQJPUOHIGAAC-CQSZACIVSA-N 1 0 266.341 2.230 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000449780827 378230299 /nfs/dbraw/zinc/23/02/99/378230299.db2.gz VYFANUKHNMBZFZ-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000296043021 378400121 /nfs/dbraw/zinc/40/01/21/378400121.db2.gz UMQBJRUOUZNATJ-MXWKQRLJSA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@@H](O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450604465 378496108 /nfs/dbraw/zinc/49/61/08/378496108.db2.gz WOMZXZJUVPSPHK-LLVKDONJSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296712264 378627109 /nfs/dbraw/zinc/62/71/09/378627109.db2.gz MBAXYAZNRDSNLB-JQWIXIFHSA-N 1 0 278.308 2.199 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC3)o2)cc1 ZINC000346680583 217985494 /nfs/dbraw/zinc/98/54/94/217985494.db2.gz BWJVEPLZADNWLK-UHFFFAOYSA-N 1 0 287.319 2.260 20 5 CEBDRO Cc1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000266205809 190240433 /nfs/dbraw/zinc/24/04/33/190240433.db2.gz KXNJIEFQDFNSHW-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298677334 378798284 /nfs/dbraw/zinc/79/82/84/378798284.db2.gz MDVKQJVPRZDNLM-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO Cc1cnc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222630 190241330 /nfs/dbraw/zinc/24/13/30/190241330.db2.gz QVABGUYHDDLUKW-RYUDHWBXSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cnc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222626 190241718 /nfs/dbraw/zinc/24/17/18/190241718.db2.gz QVABGUYHDDLUKW-NWDGAFQWSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000453394625 378885138 /nfs/dbraw/zinc/88/51/38/378885138.db2.gz WJQBFVZGGMQDRO-SCDSUCTJSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405982 378889480 /nfs/dbraw/zinc/88/94/80/378889480.db2.gz OYHSGTDYQGIGRG-PWSUYJOCSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CN(C)C ZINC000453627247 378926072 /nfs/dbraw/zinc/92/60/72/378926072.db2.gz VLCZGVMUHBSLCX-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299237579 378938218 /nfs/dbraw/zinc/93/82/18/378938218.db2.gz ICADEIZYGIAYME-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000453597963 378916479 /nfs/dbraw/zinc/91/64/79/378916479.db2.gz OVDYEMPXCBDAFL-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037943 218100685 /nfs/dbraw/zinc/10/06/85/218100685.db2.gz GEMJYPIWPBPIMG-GXTWGEPZSA-N 1 0 277.368 2.462 20 5 CEBDRO C[C@@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347100488 218122030 /nfs/dbraw/zinc/12/20/30/218122030.db2.gz JVHYKOOOILTQOP-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000347121389 218129523 /nfs/dbraw/zinc/12/95/23/218129523.db2.gz OWQZCBJRXLLLLF-CYBMUJFWSA-N 1 0 279.315 2.060 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347169825 218144066 /nfs/dbraw/zinc/14/40/66/218144066.db2.gz MQGBYVTZNMGHJG-DYLGSBMWSA-N 1 0 275.352 2.421 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC(O)C1 ZINC000347376575 218211338 /nfs/dbraw/zinc/21/13/38/218211338.db2.gz OITXLDPMPOHZFH-WDZFZDKYSA-N 1 0 276.336 2.453 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(O)C1 ZINC000347363562 218206633 /nfs/dbraw/zinc/20/66/33/218206633.db2.gz RWGGDCMEXJUPAV-PINLSGDHSA-N 1 0 276.336 2.455 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000299719836 379117583 /nfs/dbraw/zinc/11/75/83/379117583.db2.gz ZAQWTSJLRAOJAD-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515074751 379186581 /nfs/dbraw/zinc/18/65/81/379186581.db2.gz ZOSOROQNDZPVAM-ZWNOBZJWSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670567 379237307 /nfs/dbraw/zinc/23/73/07/379237307.db2.gz PWPSHXKPQKEVES-BXUZGUMPSA-N 1 0 286.335 2.457 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000347591248 218283404 /nfs/dbraw/zinc/28/34/04/218283404.db2.gz ZJPQBNOIFCRPIZ-UHFFFAOYSA-N 1 0 288.298 2.301 20 5 CEBDRO Cc1cnc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267105121 190304060 /nfs/dbraw/zinc/30/40/60/190304060.db2.gz PXSJQFFUOZOSJE-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](COC)C1 ZINC000267003266 190295900 /nfs/dbraw/zinc/29/59/00/190295900.db2.gz DQUQEVRFYUFCMA-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)C1 ZINC000267152020 190307350 /nfs/dbraw/zinc/30/73/50/190307350.db2.gz MRVONXFINOPZID-RYUDHWBXSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305177247 379673435 /nfs/dbraw/zinc/67/34/35/379673435.db2.gz LZWSKRKHTHBEKR-ABAIWWIYSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000267448965 190331003 /nfs/dbraw/zinc/33/10/03/190331003.db2.gz DVJDFAPJMLNHFD-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)(CO)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000347781005 218354821 /nfs/dbraw/zinc/35/48/21/218354821.db2.gz PTYDMNWGZCBVTJ-UHFFFAOYSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267771146 190353842 /nfs/dbraw/zinc/35/38/42/190353842.db2.gz VKXXSAQQZMHEGO-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO CNC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268802472 190434352 /nfs/dbraw/zinc/43/43/52/190434352.db2.gz GQBMRZPTCZKKEN-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO CC(C)C(C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000551593247 380647340 /nfs/dbraw/zinc/64/73/40/380647340.db2.gz ZANDMYQXWPEVEK-UHFFFAOYSA-N 1 0 268.361 2.309 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000348259784 218532670 /nfs/dbraw/zinc/53/26/70/218532670.db2.gz AZECCGCOVLZSMS-UKRRQHHQSA-N 1 0 286.335 2.185 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493030978 380771704 /nfs/dbraw/zinc/77/17/04/380771704.db2.gz HNPIROOMSBAABT-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000171831653 285075911 /nfs/dbraw/zinc/07/59/11/285075911.db2.gz IUXJMHUMTUBONM-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000367104714 285110605 /nfs/dbraw/zinc/11/06/05/285110605.db2.gz ASNNUYAGZWADLQ-DZGCQCFKSA-N 1 0 276.336 2.248 20 5 CEBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000289418989 197337709 /nfs/dbraw/zinc/33/77/09/197337709.db2.gz CJKKPSMOVZDATC-YPMHNXCESA-N 1 0 278.356 2.373 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000376725743 285115133 /nfs/dbraw/zinc/11/51/33/285115133.db2.gz HXBJGDMPSQPMOC-UHFFFAOYSA-N 1 0 286.335 2.417 20 5 CEBDRO Cc1sc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281171585 195135146 /nfs/dbraw/zinc/13/51/46/195135146.db2.gz XUTMDHUJQBPKOX-UHFFFAOYSA-N 1 0 297.380 2.179 20 5 CEBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000289110537 197237243 /nfs/dbraw/zinc/23/72/43/197237243.db2.gz QDNNIEHXPCZWKY-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCCC2)CC1 ZINC000295950438 285165994 /nfs/dbraw/zinc/16/59/94/285165994.db2.gz HKJXDAZRBOTOGX-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191266906 130211053 /nfs/dbraw/zinc/21/10/53/130211053.db2.gz DXCUYGHABZAGOA-QWRGUYRKSA-N 1 0 264.325 2.329 20 5 CEBDRO Cc1c(C[NH2+][C@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000231040814 130912343 /nfs/dbraw/zinc/91/23/43/130912343.db2.gz BHZOFWPDDGEASA-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO COC(=O)C1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237121665 131005925 /nfs/dbraw/zinc/00/59/25/131005925.db2.gz NDKBGGNKWXIDDM-UHFFFAOYSA-N 1 0 292.335 2.416 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000261748619 131166315 /nfs/dbraw/zinc/16/63/15/131166315.db2.gz SUOHYEDIJSASMR-NURSFMCSSA-N 1 0 291.351 2.020 20 5 CEBDRO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261870248 131175104 /nfs/dbraw/zinc/17/51/04/131175104.db2.gz XUGIUVBPPRMSQK-VHRBIJSZSA-N 1 0 291.351 2.290 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccco1 ZINC000413021942 394464576 /nfs/dbraw/zinc/46/45/76/394464576.db2.gz BZKUMRKVFSUABL-LLVKDONJSA-N 1 0 294.286 2.437 20 5 CEBDRO Cc1nc(NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000230183933 394479068 /nfs/dbraw/zinc/47/90/68/394479068.db2.gz WIEJWCOQLDFDEX-SECBINFHSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421361612 394510486 /nfs/dbraw/zinc/51/04/86/394510486.db2.gz LDYQXHFKHRFPTE-DGCLKSJQSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000355772031 394526453 /nfs/dbraw/zinc/52/64/53/394526453.db2.gz YJKMHDYJWZGNQZ-WCQYABFASA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000355782137 394530371 /nfs/dbraw/zinc/53/03/71/394530371.db2.gz DPUGATNWQWSLGR-GRYCIOLGSA-N 1 0 266.345 2.158 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000355782139 394530492 /nfs/dbraw/zinc/53/04/92/394530492.db2.gz DPUGATNWQWSLGR-UTUOFQBUSA-N 1 0 266.345 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000267076437 394672981 /nfs/dbraw/zinc/67/29/81/394672981.db2.gz RPOHRDLEOYLYJY-CQSZACIVSA-N 1 0 273.336 2.354 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414830865 394759233 /nfs/dbraw/zinc/75/92/33/394759233.db2.gz BRVWGFXUWKLUHX-SNVBAGLBSA-N 1 0 257.359 2.119 20 5 CEBDRO COc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865144 394777803 /nfs/dbraw/zinc/77/78/03/394777803.db2.gz YYQUVDPMZMDRQD-DGCLKSJQSA-N 1 0 293.367 2.081 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274689358 394800070 /nfs/dbraw/zinc/80/00/70/394800070.db2.gz QECAPSIOIRISLT-SNVBAGLBSA-N 1 0 296.346 2.460 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931567 394808825 /nfs/dbraw/zinc/80/88/25/394808825.db2.gz USKPHKPVSIJILM-WDEREUQCSA-N 1 0 267.304 2.093 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414941971 394814337 /nfs/dbraw/zinc/81/43/37/394814337.db2.gz DDEAIYLDQCWULH-DGCLKSJQSA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[NH2+]C1 ZINC000415072943 394876193 /nfs/dbraw/zinc/87/61/93/394876193.db2.gz XODJPMODIRRXHW-ZDUSSCGKSA-N 1 0 263.341 2.135 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422875378 394843165 /nfs/dbraw/zinc/84/31/65/394843165.db2.gz FAKKGRKGRPHTQC-LBPRGKRZSA-N 1 0 291.351 2.282 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423582553 394953564 /nfs/dbraw/zinc/95/35/64/394953564.db2.gz AOMIEIJDSDHSBT-VXGBXAGGSA-N 1 0 291.351 2.211 20 5 CEBDRO Cc1cc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415421374 394931044 /nfs/dbraw/zinc/93/10/44/394931044.db2.gz UVMQPWMJKKQLTH-CYBMUJFWSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000286263847 395018408 /nfs/dbraw/zinc/01/84/08/395018408.db2.gz DACSJRQRRRJHGI-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415769243 394962756 /nfs/dbraw/zinc/96/27/56/394962756.db2.gz WKMQIPPGXMZHMA-ZDUSSCGKSA-N 1 0 292.339 2.016 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239825 394964396 /nfs/dbraw/zinc/96/43/96/394964396.db2.gz OCGFCSSFARYNFF-FZMZJTMJSA-N 1 0 291.351 2.151 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423681178 394964962 /nfs/dbraw/zinc/96/49/62/394964962.db2.gz NXPCGCCVXHVBMC-IUCAKERBSA-N 1 0 297.380 2.172 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427123518 395093346 /nfs/dbraw/zinc/09/33/46/395093346.db2.gz XXTWFOPZQHBGFD-ZFWWWQNUSA-N 1 0 275.352 2.087 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174842349 395128586 /nfs/dbraw/zinc/12/85/86/395128586.db2.gz JMAPJSDIHNYDQE-UHFFFAOYSA-N 1 0 266.345 2.444 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000378448576 395156058 /nfs/dbraw/zinc/15/60/58/395156058.db2.gz COYNUQAIUFTODX-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000177825285 395157302 /nfs/dbraw/zinc/15/73/02/395157302.db2.gz WMXMVEULOGYVNE-DOMZBBRYSA-N 1 0 286.335 2.484 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)CC1(C)C ZINC000349973497 395177629 /nfs/dbraw/zinc/17/76/29/395177629.db2.gz VCPSNYPFFBNTLI-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397974138 395231480 /nfs/dbraw/zinc/23/14/80/395231480.db2.gz IRDZGESEPAYLSC-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000292143875 395186240 /nfs/dbraw/zinc/18/62/40/395186240.db2.gz YHLBSJNTLQVKIA-SNVBAGLBSA-N 1 0 283.328 2.038 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292300860 395191294 /nfs/dbraw/zinc/19/12/94/395191294.db2.gz NQPCMNHDAYLGQM-CQSZACIVSA-N 1 0 279.315 2.266 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000433151830 395203937 /nfs/dbraw/zinc/20/39/37/395203937.db2.gz PBNGZQLBLBEDDG-CMPLNLGQSA-N 1 0 280.324 2.118 20 5 CEBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000433191187 395207554 /nfs/dbraw/zinc/20/75/54/395207554.db2.gz ZLWFUCMERMHRTK-JTQLQIEISA-N 1 0 297.742 2.007 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295208377 395290351 /nfs/dbraw/zinc/29/03/51/395290351.db2.gz LWAVQXTYYKKNPY-LBPRGKRZSA-N 1 0 295.295 2.160 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+][C@@H](C)C1 ZINC000420288597 395297305 /nfs/dbraw/zinc/29/73/05/395297305.db2.gz JIXQIRYWNINFFN-RYUDHWBXSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1(C)C ZINC000419315883 395257575 /nfs/dbraw/zinc/25/75/75/395257575.db2.gz KOIYXCLSKDJJSC-QWRGUYRKSA-N 1 0 266.345 2.206 20 5 CEBDRO CC(C)(C)[C@H](CN)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420366553 395353608 /nfs/dbraw/zinc/35/36/08/395353608.db2.gz RJGBEJYRTVJICO-ZDUSSCGKSA-N 1 0 265.357 2.100 20 5 CEBDRO Cc1c(CN(C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435245631 395360180 /nfs/dbraw/zinc/36/01/80/395360180.db2.gz MWJJMANJBGZQEB-AWEZNQCLSA-N 1 0 275.352 2.230 20 5 CEBDRO CC(C)(O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189904228 395334021 /nfs/dbraw/zinc/33/40/21/395334021.db2.gz NKCXESYSCCDCFC-UHFFFAOYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444686833 395445505 /nfs/dbraw/zinc/44/55/05/395445505.db2.gz XXUQJAYUXXRHBP-NOZJJQNGSA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850178 395500494 /nfs/dbraw/zinc/50/04/94/395500494.db2.gz WLPHZYAIJUGZTQ-IUCAKERBSA-N 1 0 260.297 2.217 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250296 395598620 /nfs/dbraw/zinc/59/86/20/395598620.db2.gz DHGHIDZGTDNUAR-OLZOCXBDSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451258849 395600206 /nfs/dbraw/zinc/60/02/06/395600206.db2.gz RXPYFAYTXIEZRX-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000320528880 297497753 /nfs/dbraw/zinc/49/77/53/297497753.db2.gz NLEMRLJCLFUFBZ-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417842956 292244904 /nfs/dbraw/zinc/24/49/04/292244904.db2.gz GQADLRLILHNWPM-QWRGUYRKSA-N 1 0 294.355 2.001 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000360775599 155370583 /nfs/dbraw/zinc/37/05/83/155370583.db2.gz JFFNCAFRWHNXPD-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000189313101 153091938 /nfs/dbraw/zinc/09/19/38/153091938.db2.gz YGDBBISSKJLKGW-UFBFGSQYSA-N 1 0 297.742 2.119 20 5 CEBDRO O=C(c1ccc([N+](=O)[O-])s1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190742979 153144048 /nfs/dbraw/zinc/14/40/48/153144048.db2.gz VTVPNZZALXIPDP-SECBINFHSA-N 1 0 295.364 2.013 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@@H]1C ZINC000192498256 153208735 /nfs/dbraw/zinc/20/87/35/153208735.db2.gz BCQLRCMVNUZZGZ-NSHDSACASA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH3+])C1 ZINC000217513691 153295287 /nfs/dbraw/zinc/29/52/87/153295287.db2.gz AKJHOQJTLMCUTG-NEPJUHHUSA-N 1 0 263.341 2.327 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316615 153391548 /nfs/dbraw/zinc/39/15/48/153391548.db2.gz BTDIJVXDQGROHS-KGLIPLIRSA-N 1 0 262.309 2.252 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC000261642377 153797677 /nfs/dbraw/zinc/79/76/77/153797677.db2.gz AJYSVFAFCHRUAR-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000261672904 153805410 /nfs/dbraw/zinc/80/54/10/153805410.db2.gz GIFLINQEEWJRNT-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000272284330 292295446 /nfs/dbraw/zinc/29/54/46/292295446.db2.gz GBYIJKSYMFOOKQ-NEPJUHHUSA-N 1 0 264.325 2.278 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430903 155012804 /nfs/dbraw/zinc/01/28/04/155012804.db2.gz SVRSMIWLJHJCIT-IUODEOHRSA-N 1 0 294.351 2.359 20 5 CEBDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000368077871 156279976 /nfs/dbraw/zinc/27/99/76/156279976.db2.gz WPLKBHHSOLSPBI-TZMCWYRMSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1c(C[N@H+]2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000376501432 157232003 /nfs/dbraw/zinc/23/20/03/157232003.db2.gz PMKVWOOZWZPLKG-LLVKDONJSA-N 1 0 264.325 2.372 20 5 CEBDRO C[C@@H]1COCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376502740 157237257 /nfs/dbraw/zinc/23/72/57/157237257.db2.gz YLRDAIVOXYQAAQ-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCC2)n1 ZINC000162622122 162331643 /nfs/dbraw/zinc/33/16/43/162331643.db2.gz LUXVECCATWLLNO-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000171826332 162391045 /nfs/dbraw/zinc/39/10/45/162391045.db2.gz AMNCQUKKKNVTEG-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000377391001 162689672 /nfs/dbraw/zinc/68/96/72/162689672.db2.gz KZUZLVJIZBOWTM-CABCVRRESA-N 1 0 292.335 2.131 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCCC1 ZINC000176200646 165159348 /nfs/dbraw/zinc/15/93/48/165159348.db2.gz XBRZJWBBRWDSSJ-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182481699 165373686 /nfs/dbraw/zinc/37/36/86/165373686.db2.gz CBEWBRIBORMOQA-YUTCNCBUSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000020208239 171072311 /nfs/dbraw/zinc/07/23/11/171072311.db2.gz OUDYDBYAOYHTHH-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO COC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672347 196108234 /nfs/dbraw/zinc/10/82/34/196108234.db2.gz YSSYGIAUTWDJHC-CYBMUJFWSA-N 1 0 294.351 2.221 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285148791 196206949 /nfs/dbraw/zinc/20/69/49/196206949.db2.gz MCALRCYVTBQETC-GHMZBOCLSA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000285753997 196387370 /nfs/dbraw/zinc/38/73/70/196387370.db2.gz VTCKYQMVRPEAEF-DTWKUNHWSA-N 1 0 286.278 2.388 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000037738534 173658823 /nfs/dbraw/zinc/65/88/23/173658823.db2.gz DLIMVDQKSPILIP-QWRGUYRKSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088238 174101673 /nfs/dbraw/zinc/10/16/73/174101673.db2.gz FYPCTTMXPZPWAJ-GHMZBOCLSA-N 1 0 251.330 2.196 20 5 CEBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000040444326 174264341 /nfs/dbraw/zinc/26/43/41/174264341.db2.gz VNVFAVWUZYECFR-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040464245 174273635 /nfs/dbraw/zinc/27/36/35/174273635.db2.gz ZBSWASFBOZQIHR-JOYOIKCWSA-N 1 0 279.340 2.145 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601338 174351322 /nfs/dbraw/zinc/35/13/22/174351322.db2.gz YWUHCMGPZKEZLA-ZDUSSCGKSA-N 1 0 293.367 2.035 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044533132 175197519 /nfs/dbraw/zinc/19/75/19/175197519.db2.gz JHJYICHLNIHDHC-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045072388 175302215 /nfs/dbraw/zinc/30/22/15/175302215.db2.gz PDDWAPKHCOBYAK-GFCCVEGCSA-N 1 0 293.367 2.470 20 5 CEBDRO Cc1c(NC(=O)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000070944205 176016614 /nfs/dbraw/zinc/01/66/14/176016614.db2.gz UNSHOQVKLBPWJM-UHFFFAOYSA-N 1 0 265.313 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071300931 176114078 /nfs/dbraw/zinc/11/40/78/176114078.db2.gz CAMFXFKMNPPIIL-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314080 176120506 /nfs/dbraw/zinc/12/05/06/176120506.db2.gz LTGCZIGSZQNZRH-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076711055 177067748 /nfs/dbraw/zinc/06/77/48/177067748.db2.gz UIGCUCNMVDBYPZ-SNVBAGLBSA-N 1 0 268.313 2.070 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078781810 177388002 /nfs/dbraw/zinc/38/80/02/177388002.db2.gz DLPKKGUPIGMLFS-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000567343369 299054119 /nfs/dbraw/zinc/05/41/19/299054119.db2.gz JUGAFSVEYDBVCG-LLVKDONJSA-N 1 0 291.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCO)CC1 ZINC000401091676 260146772 /nfs/dbraw/zinc/14/67/72/260146772.db2.gz YECIKGXMCMDUFW-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO CC[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000518520279 260444763 /nfs/dbraw/zinc/44/47/63/260444763.db2.gz DMISOAKQYWORRS-NSHDSACASA-N 1 0 272.732 2.151 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000449073929 261150051 /nfs/dbraw/zinc/15/00/51/261150051.db2.gz JSBFPRQSANIJGS-STQMWFEESA-N 1 0 288.351 2.401 20 5 CEBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190039815 270266195 /nfs/dbraw/zinc/26/61/95/270266195.db2.gz ANBGETXGNKHBFL-QWHCGFSZSA-N 1 0 298.412 2.445 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1C ZINC000190288401 270268089 /nfs/dbraw/zinc/26/80/89/270268089.db2.gz NFTVTELOTVQSKF-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420349006 270522550 /nfs/dbraw/zinc/52/25/50/270522550.db2.gz NMNIVMGOFCMFEV-PHIMTYICSA-N 1 0 279.315 2.060 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422723183 270741143 /nfs/dbraw/zinc/74/11/43/270741143.db2.gz ZUDYRWGAUPTUIK-SMDDNHRTSA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1c(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000423069309 270826914 /nfs/dbraw/zinc/82/69/14/270826914.db2.gz DQMLVJCKRCKUPZ-PBWFPOADSA-N 1 0 275.352 2.276 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423998825 271000562 /nfs/dbraw/zinc/00/05/62/271000562.db2.gz AWMKSPBUAWKMFY-WCBMZHEXSA-N 1 0 297.380 2.022 20 5 CEBDRO CCN(CCC[NH+](C)C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000425256103 271147832 /nfs/dbraw/zinc/14/78/32/271147832.db2.gz OPHFBAZLIKKYRQ-UHFFFAOYSA-N 1 0 292.383 2.341 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000430211748 271363473 /nfs/dbraw/zinc/36/34/73/271363473.db2.gz YPLPFMJCUAVPMD-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO CCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000337908242 273614313 /nfs/dbraw/zinc/61/43/13/273614313.db2.gz FHPUSJKJCJGUET-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289694539 273763734 /nfs/dbraw/zinc/76/37/34/273763734.db2.gz SSFSFYZAWNJCIN-VXGBXAGGSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049075943 274232711 /nfs/dbraw/zinc/23/27/11/274232711.db2.gz IWSSRRFRQGSQQQ-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000344427049 275035965 /nfs/dbraw/zinc/03/59/65/275035965.db2.gz YQOLMTFXEOOZSS-CQSZACIVSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000252673585 275037151 /nfs/dbraw/zinc/03/71/51/275037151.db2.gz KWFUTLCDJABSMU-QWRGUYRKSA-N 1 0 262.313 2.029 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193407064 275656704 /nfs/dbraw/zinc/65/67/04/275656704.db2.gz HTLUVNRDMSOAQB-UHFFFAOYSA-N 1 0 278.356 2.144 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860501 276074780 /nfs/dbraw/zinc/07/47/80/276074780.db2.gz KDASBAQTFOPJJD-OAHLLOKOSA-N 1 0 291.395 2.411 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000285758499 276866684 /nfs/dbraw/zinc/86/66/84/276866684.db2.gz VHHXPXVPPJEUHF-CYBMUJFWSA-N 1 0 290.323 2.485 20 5 CEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345449 277255185 /nfs/dbraw/zinc/25/51/85/277255185.db2.gz ZLQFHRNQHRJDSQ-IAQYHMDHSA-N 1 0 291.351 2.114 20 5 CEBDRO COC(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037416840 277316428 /nfs/dbraw/zinc/31/64/28/277316428.db2.gz ZFSXZSQYDDIRHI-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000135204481 278357740 /nfs/dbraw/zinc/35/77/40/278357740.db2.gz NRSYDGWZRAQUFK-PWSUYJOCSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1cccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338788492 278923622 /nfs/dbraw/zinc/92/36/22/278923622.db2.gz UTZPUWPLGAXCDK-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1c[nH+]ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000413341336 279027805 /nfs/dbraw/zinc/02/78/05/279027805.db2.gz XHWNDTXQZPCIPB-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000314048893 279132317 /nfs/dbraw/zinc/13/23/17/279132317.db2.gz OWKRQJVQXKMOEU-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235658531 280335865 /nfs/dbraw/zinc/33/58/65/280335865.db2.gz SOHPFHAXTKYKEQ-GXFFZTMASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000261596118 280529386 /nfs/dbraw/zinc/52/93/86/280529386.db2.gz AWJHWVHMIUXAAI-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464121 281048104 /nfs/dbraw/zinc/04/81/04/281048104.db2.gz LVRPLGIHUQNASH-RISCZKNCSA-N 1 0 263.341 2.299 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530418 281063681 /nfs/dbraw/zinc/06/36/81/281063681.db2.gz WRLQNCDUZGHOJK-CABCVRRESA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423536540 281064686 /nfs/dbraw/zinc/06/46/86/281064686.db2.gz ZOHJJMPHXKIPGI-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000430610530 281269313 /nfs/dbraw/zinc/26/93/13/281269313.db2.gz LBRZXHIVYFWDOX-IUODEOHRSA-N 1 0 293.367 2.175 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430636102 281271935 /nfs/dbraw/zinc/27/19/35/281271935.db2.gz XNUOUNSIIQTMGT-ZWNOBZJWSA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000433172689 281372326 /nfs/dbraw/zinc/37/23/26/281372326.db2.gz DFHYUMICDIBXRL-BXKDBHETSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526949 281832138 /nfs/dbraw/zinc/83/21/38/281832138.db2.gz FJUCRUBEGIRQMM-BZPMIXESSA-N 1 0 296.371 2.026 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000155879737 289184763 /nfs/dbraw/zinc/18/47/63/289184763.db2.gz KPLXARMVFNXABS-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312618826 289281413 /nfs/dbraw/zinc/28/14/13/289281413.db2.gz ARJUKHLPOIMYNW-UMNHJUIQSA-N 1 0 279.315 2.216 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312618803 289281423 /nfs/dbraw/zinc/28/14/23/289281423.db2.gz ARJUKHLPOIMYNW-JBLDHEPKSA-N 1 0 279.315 2.216 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471799243 290284298 /nfs/dbraw/zinc/28/42/98/290284298.db2.gz QDDPQYQSOXKDPD-FJYXQWIHSA-N 1 0 262.309 2.063 20 5 CEBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000488439029 290399741 /nfs/dbraw/zinc/39/97/41/290399741.db2.gz HOBNQTSTAOGJEU-CMPLNLGQSA-N 1 0 298.412 2.301 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000320587563 297497839 /nfs/dbraw/zinc/49/78/39/297497839.db2.gz VDQGFXZBWUFLFK-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cccn1 ZINC000536875919 298206875 /nfs/dbraw/zinc/20/68/75/298206875.db2.gz KNZQFGUDWMRNIR-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000537968173 298222785 /nfs/dbraw/zinc/22/27/85/298222785.db2.gz SZXPDHXIOPFGIH-SWLSCSKDSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000538361413 298227474 /nfs/dbraw/zinc/22/74/74/298227474.db2.gz CKAOKDSQXRHJJV-AWEZNQCLSA-N 1 0 298.346 2.340 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159159 298263318 /nfs/dbraw/zinc/26/33/18/298263318.db2.gz XTBVZENXUUPBCC-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000563735767 298797390 /nfs/dbraw/zinc/79/73/90/298797390.db2.gz WAHZIYPTMYFQLR-GXFFZTMASA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1ccnc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301308041 302271427 /nfs/dbraw/zinc/27/14/27/302271427.db2.gz WGRTZIHUIAMVPF-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000568474119 313958052 /nfs/dbraw/zinc/95/80/52/313958052.db2.gz CPLRXJLNTGXKTP-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO CC(C)CC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000575916648 314225247 /nfs/dbraw/zinc/22/52/47/314225247.db2.gz UJMBAGMFVVWGBW-AWEZNQCLSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CCO)CC1 ZINC000576291721 314261713 /nfs/dbraw/zinc/26/17/13/314261713.db2.gz QCYHMLNBEMGDKN-CYBMUJFWSA-N 1 0 276.336 2.334 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668478 314505926 /nfs/dbraw/zinc/50/59/26/314505926.db2.gz DRNXINWKSIDXTK-GWCFXTLKSA-N 1 0 296.392 2.286 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000384669825 321853350 /nfs/dbraw/zinc/85/33/50/321853350.db2.gz XSBAOQXRHHAFCJ-GYSYKLTISA-N 1 0 280.324 2.129 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000581443441 322397644 /nfs/dbraw/zinc/39/76/44/322397644.db2.gz ZJJHDSUYYZCVMM-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000560590364 327328897 /nfs/dbraw/zinc/32/88/97/327328897.db2.gz OMHHWVQAPQUTFZ-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438605 533790216 /nfs/dbraw/zinc/79/02/16/533790216.db2.gz HUMCPHFIXLCROS-JQWIXIFHSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174874248 533822686 /nfs/dbraw/zinc/82/26/86/533822686.db2.gz GPJDPQOQMWVZSV-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156716421 519796355 /nfs/dbraw/zinc/79/63/55/519796355.db2.gz QPGMKBXIPSCVKC-ZDUSSCGKSA-N 1 0 294.355 2.432 20 5 CEBDRO CC(C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452969 519813220 /nfs/dbraw/zinc/81/32/20/519813220.db2.gz OTZGRQZLDATXJE-SMDDNHRTSA-N 1 0 291.351 2.334 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736645 520064970 /nfs/dbraw/zinc/06/49/70/520064970.db2.gz LLNCDYGTCMSALR-BXUZGUMPSA-N 1 0 282.340 2.033 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000150272190 521191019 /nfs/dbraw/zinc/19/10/19/521191019.db2.gz KPGHLTUZPHDJDA-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051998930 524608407 /nfs/dbraw/zinc/60/84/07/524608407.db2.gz HJKGSBHOZYWTAD-JSGCOSHPSA-N 1 0 264.325 2.296 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069134544 525103137 /nfs/dbraw/zinc/10/31/37/525103137.db2.gz BVDHWEXGGVZXJP-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(=O)NC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000263695274 534841193 /nfs/dbraw/zinc/84/11/93/534841193.db2.gz PTKGDHPJTPNAEB-UHFFFAOYSA-N 1 0 291.351 2.132 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163168 525243975 /nfs/dbraw/zinc/24/39/75/525243975.db2.gz RZCCJPVXOSSWMH-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444831 527212311 /nfs/dbraw/zinc/21/23/11/527212311.db2.gz YIAJXXFBTJGSQV-JTQLQIEISA-N 1 0 283.759 2.419 20 5 CEBDRO CCOc1cc(NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111046751 528328818 /nfs/dbraw/zinc/32/88/18/528328818.db2.gz HUSXTZSDRIVUHS-LLVKDONJSA-N 1 0 279.340 2.357 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313799179 536861094 /nfs/dbraw/zinc/86/10/94/536861094.db2.gz FSKVVWBUPQQJIS-IAQYHMDHSA-N 1 0 293.367 2.020 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000730088709 574500889 /nfs/dbraw/zinc/50/08/89/574500889.db2.gz MBJVFUYQNUCOFM-ZDUSSCGKSA-N 1 0 280.324 2.224 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000754080069 574522773 /nfs/dbraw/zinc/52/27/73/574522773.db2.gz PWLISXLDVOYNPF-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000734160968 574704048 /nfs/dbraw/zinc/70/40/48/574704048.db2.gz ISLWENSHYDEYMU-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO CC(C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146820 575007590 /nfs/dbraw/zinc/00/75/90/575007590.db2.gz NNBSPVFEQMAYBQ-UHFFFAOYSA-N 1 0 289.339 2.399 20 5 CEBDRO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000742238922 575012879 /nfs/dbraw/zinc/01/28/79/575012879.db2.gz IREXJDIRJFIJIB-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411887 575020373 /nfs/dbraw/zinc/02/03/73/575020373.db2.gz JUMOYQQPJHNXJV-GHMZBOCLSA-N 1 0 289.339 2.137 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C(C2CC2)C2CC2)c1 ZINC000749662496 575228711 /nfs/dbraw/zinc/22/87/11/575228711.db2.gz MDNBCLNAPFSGFV-AWEZNQCLSA-N 1 0 276.336 2.406 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923801 575301343 /nfs/dbraw/zinc/30/13/43/575301343.db2.gz BLRQXCVRNSWQDK-AOOOYVTPSA-N 1 0 289.339 2.193 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000253336708 622702863 /nfs/dbraw/zinc/70/28/63/622702863.db2.gz YPLFYVBJLJTBSW-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388058 623708211 /nfs/dbraw/zinc/70/82/11/623708211.db2.gz WVSRFZZTDCGEGB-SWLSCSKDSA-N 1 0 274.320 2.396 20 5 CEBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000891608412 623825100 /nfs/dbraw/zinc/82/51/00/623825100.db2.gz DBGNSSBNWCBDHW-UHFFFAOYSA-N 1 0 266.297 2.293 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000235651116 625691997 /nfs/dbraw/zinc/69/19/97/625691997.db2.gz NXAMTIWLQZOUON-RNCFNFMXSA-N 1 0 268.288 2.391 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@@H]1C ZINC000891819551 623993568 /nfs/dbraw/zinc/99/35/68/623993568.db2.gz XVXMNKBYXKOVBU-WDEREUQCSA-N 1 0 281.360 2.003 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000892081363 624303201 /nfs/dbraw/zinc/30/32/01/624303201.db2.gz XTDVBPOFQUIAQU-LLVKDONJSA-N 1 0 294.355 2.141 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@H]1CCO ZINC000050104917 624537359 /nfs/dbraw/zinc/53/73/59/624537359.db2.gz JNLKPOLXQBHLSN-ZDUSSCGKSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295212091 628038875 /nfs/dbraw/zinc/03/88/75/628038875.db2.gz URZITHRLIALADC-VIFPVBQESA-N 1 0 270.304 2.325 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280387 628235818 /nfs/dbraw/zinc/23/58/18/628235818.db2.gz WUXRSZRIUHMAEB-PZTHBURQSA-N 1 0 294.351 2.438 20 5 CEBDRO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429028 634650252 /nfs/dbraw/zinc/65/02/52/634650252.db2.gz JJIDYFXBEBDGDZ-MBNYWOFBSA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000893366793 628511105 /nfs/dbraw/zinc/51/11/05/628511105.db2.gz GTBJQFVKYBFXOU-JOYOIKCWSA-N 1 0 282.727 2.275 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000931695633 628787135 /nfs/dbraw/zinc/78/71/35/628787135.db2.gz YHHQXSWTFCYULA-ZDUSSCGKSA-N 1 0 266.366 2.443 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840975018 628976510 /nfs/dbraw/zinc/97/65/10/628976510.db2.gz RZNOKAPPJZJXBA-SECBINFHSA-N 1 0 299.758 2.251 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000893984309 629076988 /nfs/dbraw/zinc/07/69/88/629076988.db2.gz UCSLXYXOBLNLLR-UHFFFAOYSA-N 1 0 281.360 2.006 20 5 CEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841103084 629121742 /nfs/dbraw/zinc/12/17/42/629121742.db2.gz KYKFWLWCCHMZMJ-MRVPVSSYSA-N 1 0 298.730 2.203 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000894366969 629396947 /nfs/dbraw/zinc/39/69/47/629396947.db2.gz PQYYNEJPRRIAQF-CYBMUJFWSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895098703 629892120 /nfs/dbraw/zinc/89/21/20/629892120.db2.gz ADAUFYRBTRXFMN-TXEJJXNPSA-N 1 0 278.356 2.217 20 5 CEBDRO CCO[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896117573 630469298 /nfs/dbraw/zinc/46/92/98/630469298.db2.gz JZHURSHZSNNALA-NSHDSACASA-N 1 0 285.319 2.113 20 5 CEBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000896559738 630594860 /nfs/dbraw/zinc/59/48/60/630594860.db2.gz TXQSWQZJGOTTBL-CABZTGNLSA-N 1 0 283.759 2.430 20 5 CEBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896593537 630608174 /nfs/dbraw/zinc/60/81/74/630608174.db2.gz BLKQSGRTNPJOTA-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000896650941 630624921 /nfs/dbraw/zinc/62/49/21/630624921.db2.gz NRAAOJGPMAIAAD-ZDUSSCGKSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC000896651854 630625885 /nfs/dbraw/zinc/62/58/85/630625885.db2.gz YZVZMKRDCCRZAN-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000799343138 631016852 /nfs/dbraw/zinc/01/68/52/631016852.db2.gz AVSQVJXHCCWLRY-GLQYFDAESA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@H](C[NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000897461309 631531222 /nfs/dbraw/zinc/53/12/22/631531222.db2.gz ZSWQABAECLABJR-NEPJUHHUSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465983 631531855 /nfs/dbraw/zinc/53/18/55/631531855.db2.gz LYPKDWLVIXDSAP-DYEKYZERSA-N 1 0 277.368 2.238 20 5 CEBDRO COC1CC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897466270 631532797 /nfs/dbraw/zinc/53/27/97/631532797.db2.gz QPOHVHDRQUWJFX-VOMCLLRMSA-N 1 0 264.325 2.465 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000785836712 631742042 /nfs/dbraw/zinc/74/20/42/631742042.db2.gz CKULFBONQFVYKW-VHSXEESVSA-N 1 0 267.304 2.263 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C)CC1 ZINC000807918535 631887550 /nfs/dbraw/zinc/88/75/50/631887550.db2.gz VPHPRXIXACUKNM-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cn3cnnc3)C2)cc1 ZINC000840127016 631909310 /nfs/dbraw/zinc/90/93/10/631909310.db2.gz QOOKLQAENYYPHZ-CYBMUJFWSA-N 1 0 287.323 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1Cl ZINC000898204232 632085421 /nfs/dbraw/zinc/08/54/21/632085421.db2.gz QJIVNXRLFUYKHF-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898207006 632087519 /nfs/dbraw/zinc/08/75/19/632087519.db2.gz YFNAAHOCWWYZHL-AWEZNQCLSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H](COC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N+](=O)[O-] ZINC000813112730 632628514 /nfs/dbraw/zinc/62/85/14/632628514.db2.gz KCYXDOAAVDFGDK-LBPRGKRZSA-N 1 0 292.335 2.104 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000814173720 632799724 /nfs/dbraw/zinc/79/97/24/632799724.db2.gz ORHCUXLCZOXCPP-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO Cn1cc(CC[NH2+]CC[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000905228860 635873730 /nfs/dbraw/zinc/87/37/30/635873730.db2.gz INMSYINNBXFLDV-UHFFFAOYSA-N 1 0 281.743 2.241 20 5 CEBDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000815640461 633041600 /nfs/dbraw/zinc/04/16/00/633041600.db2.gz YQCCEUBDKGKROY-NSHDSACASA-N 1 0 289.339 2.007 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907734 633767066 /nfs/dbraw/zinc/76/70/66/633767066.db2.gz SYTCAGZNBNZRPO-RYUDHWBXSA-N 1 0 269.732 2.218 20 5 CEBDRO C[C@H](NCC1([NH3+])CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938983 633788505 /nfs/dbraw/zinc/78/85/05/633788505.db2.gz WTIBSQFWDCYZBV-NSHDSACASA-N 1 0 292.383 2.489 20 5 CEBDRO CCC([NH3+])(CC)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959386 633801265 /nfs/dbraw/zinc/80/12/65/633801265.db2.gz CQAQCNBBVZBGRY-SNVBAGLBSA-N 1 0 280.372 2.345 20 5 CEBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962252 633804419 /nfs/dbraw/zinc/80/44/19/633804419.db2.gz KAAKUVNEKWSKSK-CMPLNLGQSA-N 1 0 280.372 2.345 20 5 CEBDRO CCCCOCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818982770 634029251 /nfs/dbraw/zinc/02/92/51/634029251.db2.gz QWWBTWKEQFXXDU-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc([C@@H]3CCC[NH2+]C3)on2)o1 ZINC000901398926 634091434 /nfs/dbraw/zinc/09/14/34/634091434.db2.gz NVEJQUIMAHZEGT-MRVPVSSYSA-N 1 0 263.253 2.310 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc(C[C@@H]3CCC[NH2+]C3)on2)o1 ZINC000901398715 634091621 /nfs/dbraw/zinc/09/16/21/634091621.db2.gz HAWACPLBIBOZOP-VIFPVBQESA-N 1 0 277.280 2.385 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000819259033 634120187 /nfs/dbraw/zinc/12/01/87/634120187.db2.gz DQFYJVHVQJUMQH-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000819382459 634164332 /nfs/dbraw/zinc/16/43/32/634164332.db2.gz GELWYSYWDQZXCR-GFQSEFKGSA-N 1 0 262.309 2.016 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000903078051 634958798 /nfs/dbraw/zinc/95/87/98/634958798.db2.gz BYNFIHCRFZZGFN-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903103587 634971112 /nfs/dbraw/zinc/97/11/12/634971112.db2.gz KKKABYFCVLPIBJ-GHMZBOCLSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903109652 634973739 /nfs/dbraw/zinc/97/37/39/634973739.db2.gz HCIBTZBRIDUSDA-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903097614 634977850 /nfs/dbraw/zinc/97/78/50/634977850.db2.gz HBMDIYCGRLLSEU-HZMBPMFUSA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCn2cccn2)cc([N+](=O)[O-])c1 ZINC000903116089 634979013 /nfs/dbraw/zinc/97/90/13/634979013.db2.gz KBAMBNVTAAJHNN-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](CO)CC2CC2)cc([N+](=O)[O-])c1 ZINC000903126920 634982158 /nfs/dbraw/zinc/98/21/58/634982158.db2.gz FPKZANKVWQAHCR-GXFFZTMASA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286590 635050602 /nfs/dbraw/zinc/05/06/02/635050602.db2.gz BRHSFPZLXXZJCQ-NRUUGDAUSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903287950 635051540 /nfs/dbraw/zinc/05/15/40/635051540.db2.gz UBTMFZYLNISCMQ-KGEFTFBZSA-N 1 0 289.335 2.003 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnc3n1CCC3)C2 ZINC000824820011 635505189 /nfs/dbraw/zinc/50/51/89/635505189.db2.gz XGIXPHLXWFXNLI-UHFFFAOYSA-N 1 0 298.346 2.296 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000824892815 635519285 /nfs/dbraw/zinc/51/92/85/635519285.db2.gz CEICIWRMJMFGOR-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000904273114 635534830 /nfs/dbraw/zinc/53/48/30/635534830.db2.gz RJWHMYOURVXBJG-LBPRGKRZSA-N 1 0 292.339 2.023 20 5 CEBDRO C[C@@H]1C[C@H](O)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825316744 635613451 /nfs/dbraw/zinc/61/34/51/635613451.db2.gz SNGPLGAQDYVDNI-KOLCDFICSA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000905083307 635798525 /nfs/dbraw/zinc/79/85/25/635798525.db2.gz VRIARIDGPGABBV-ONGXEEELSA-N 1 0 274.242 2.428 20 5 CEBDRO O=[N+]([O-])CCNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000905320045 636217570 /nfs/dbraw/zinc/21/75/70/636217570.db2.gz SNFLHCZRQRBBLO-UHFFFAOYSA-N 1 0 263.341 2.014 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828268743 636553710 /nfs/dbraw/zinc/55/37/10/636553710.db2.gz IPNHVMIREPJGQM-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000043474421 637053422 /nfs/dbraw/zinc/05/34/22/637053422.db2.gz OXWCCKCXZFFOSW-UHFFFAOYSA-N 1 0 283.303 2.451 20 5 CEBDRO Cc1c(NC(=O)CCC23CC(C2)C[NH2+]3)cccc1[N+](=O)[O-] ZINC000876549789 650320210 /nfs/dbraw/zinc/32/02/10/650320210.db2.gz IZXLEEIMQKUKPH-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000876550131 650320394 /nfs/dbraw/zinc/32/03/94/650320394.db2.gz PWOUKFIQUXNZPL-SKDRFNHKSA-N 1 0 277.324 2.215 20 5 CEBDRO C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905241 637983521 /nfs/dbraw/zinc/98/35/21/637983521.db2.gz SFUUHJOLHQXWKO-RNCFNFMXSA-N 1 0 279.340 2.253 20 5 CEBDRO O=c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c[nH]1 ZINC000876739124 650414336 /nfs/dbraw/zinc/41/43/36/650414336.db2.gz FSOYEGWCVZRIRB-UHFFFAOYSA-N 1 0 285.303 2.254 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000221949533 639340992 /nfs/dbraw/zinc/34/09/92/639340992.db2.gz UBPUYNLLCZDFIJ-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000227689118 639601765 /nfs/dbraw/zinc/60/17/65/639601765.db2.gz LUDWZNVBLRWNEC-AAEUAGOBSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000841032333 639623524 /nfs/dbraw/zinc/62/35/24/639623524.db2.gz COAHLJMAMTUUKI-JTQLQIEISA-N 1 0 283.759 2.337 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841058436 639635169 /nfs/dbraw/zinc/63/51/69/639635169.db2.gz HAFKWYFGHBAPDT-ZANVPECISA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064079 639639121 /nfs/dbraw/zinc/63/91/21/639639121.db2.gz PABNSEHPPHFDPX-TVQRCGJNSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232899 639713701 /nfs/dbraw/zinc/71/37/01/639713701.db2.gz GGDNBIOULGIKBX-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210373 639746554 /nfs/dbraw/zinc/74/65/54/639746554.db2.gz BJENWCKURXPKER-GXFFZTMASA-N 1 0 280.324 2.397 20 5 CEBDRO COC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000231024576 639822837 /nfs/dbraw/zinc/82/28/37/639822837.db2.gz DIHRTWKPNGZGGN-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1([NH+](C)C)CC1 ZINC000842046706 639930419 /nfs/dbraw/zinc/93/04/19/639930419.db2.gz DINPDOWFBXBELY-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CSCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877049861 650547971 /nfs/dbraw/zinc/54/79/71/650547971.db2.gz HGFZZMSTZYZZLP-UHFFFAOYSA-N 1 0 284.385 2.228 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC=CCC3)C2)c1 ZINC000877055805 650551986 /nfs/dbraw/zinc/55/19/86/650551986.db2.gz OVWRIKPORGYJJP-VOMCLLRMSA-N 1 0 262.313 2.193 20 5 CEBDRO C[NH2+]C[C@H](C)c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000842582039 640108872 /nfs/dbraw/zinc/10/88/72/640108872.db2.gz GQOUJJOBNIKLJG-JTQLQIEISA-N 1 0 290.323 2.086 20 5 CEBDRO CC(C)(CCc1nc(-c2ccc(C[NH3+])cc2)no1)[N+](=O)[O-] ZINC000842649823 640135191 /nfs/dbraw/zinc/13/51/91/640135191.db2.gz JEPRILNEJMGMGX-UHFFFAOYSA-N 1 0 290.323 2.183 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044404 640249838 /nfs/dbraw/zinc/24/98/38/640249838.db2.gz BBFYIOPEDHGANT-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000843044653 640249969 /nfs/dbraw/zinc/24/99/69/640249969.db2.gz DPRIGAAGQVOBNO-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO CCNCc1noc(-c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000843141336 640301987 /nfs/dbraw/zinc/30/19/87/640301987.db2.gz LXMCMHUCWLEPOX-UHFFFAOYSA-N 1 0 292.295 2.071 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000843388323 640413596 /nfs/dbraw/zinc/41/35/96/640413596.db2.gz ZOJJNQNINSRYAW-ZDUSSCGKSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000843512135 640446989 /nfs/dbraw/zinc/44/69/89/640446989.db2.gz PVGXOROWBCKIBM-UHFFFAOYSA-N 1 0 297.330 2.291 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc[nH]1 ZINC000877125024 650582917 /nfs/dbraw/zinc/58/29/17/650582917.db2.gz UEURUVAIAZNURJ-KPPDAEKUSA-N 1 0 275.312 2.174 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000915513127 640582998 /nfs/dbraw/zinc/58/29/98/640582998.db2.gz VKUBUYVEWHVURZ-JTQLQIEISA-N 1 0 282.296 2.219 20 5 CEBDRO CC(C)(CCc1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1)[N+](=O)[O-] ZINC000844920566 640866636 /nfs/dbraw/zinc/86/66/36/640866636.db2.gz SUFARSNDQOLBBC-MNOVXSKESA-N 1 0 294.355 2.261 20 5 CEBDRO Cc1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000845815990 641099695 /nfs/dbraw/zinc/09/96/95/641099695.db2.gz MOWBJHQJXKFGRZ-NEPJUHHUSA-N 1 0 292.335 2.400 20 5 CEBDRO C[C@@H]([NH2+]CCC1(CO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846209295 641222866 /nfs/dbraw/zinc/22/28/66/641222866.db2.gz CPEZUDGKDPABSY-LLVKDONJSA-N 1 0 293.367 2.380 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877252962 650642952 /nfs/dbraw/zinc/64/29/52/650642952.db2.gz DULFGYHTXVLYCP-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000112310494 641944239 /nfs/dbraw/zinc/94/42/39/641944239.db2.gz DCKQZDUTHDVXCN-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1CC(O)C1 ZINC000877463785 650730482 /nfs/dbraw/zinc/73/04/82/650730482.db2.gz HQZFFXZHUKHJAR-UHFFFAOYSA-N 1 0 278.352 2.414 20 5 CEBDRO Cc1c(CNC(=[NH2+])Nc2ccccn2)cccc1[N+](=O)[O-] ZINC000849092961 642261468 /nfs/dbraw/zinc/26/14/68/642261468.db2.gz MTWNXHLGYUVREQ-UHFFFAOYSA-N 1 0 285.307 2.435 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877474330 650738535 /nfs/dbraw/zinc/73/85/35/650738535.db2.gz SYPQGQKYKIQESV-YPMHNXCESA-N 1 0 292.335 2.335 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnn(CCF)c1 ZINC000921790966 642619987 /nfs/dbraw/zinc/61/99/87/642619987.db2.gz IBWQDPRAZVGSHN-UHFFFAOYSA-N 1 0 292.314 2.093 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494312 643314786 /nfs/dbraw/zinc/31/47/86/643314786.db2.gz DKHRMCPAQXRAPI-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO CCC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OCC ZINC000877648551 650832111 /nfs/dbraw/zinc/83/21/11/650832111.db2.gz PVFLGCUWGQMUJS-YIZWMMSDSA-N 1 0 296.371 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852584351 643482424 /nfs/dbraw/zinc/48/24/24/643482424.db2.gz LKUWPWLAZWINRP-STQMWFEESA-N 1 0 280.299 2.127 20 5 CEBDRO C[C@@H](NC(=O)C=C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000852812261 643561855 /nfs/dbraw/zinc/56/18/55/643561855.db2.gz RKJOYPVWCFEXJB-LLVKDONJSA-N 1 0 289.335 2.082 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000923441116 643717854 /nfs/dbraw/zinc/71/78/54/643717854.db2.gz HYOQPRHOJHGNGT-AGIUHOORSA-N 1 0 293.367 2.044 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000923441213 643718185 /nfs/dbraw/zinc/71/81/85/643718185.db2.gz IQUNIMQMSCKBRN-FRRDWIJNSA-N 1 0 293.367 2.044 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111829535 643965954 /nfs/dbraw/zinc/96/59/54/643965954.db2.gz PRDBFASKPBVSRC-JTQLQIEISA-N 1 0 299.758 2.351 20 5 CEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497496 644071332 /nfs/dbraw/zinc/07/13/32/644071332.db2.gz QYFPPMSGCSVQBF-SECBINFHSA-N 1 0 294.355 2.282 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000877743274 650889342 /nfs/dbraw/zinc/88/93/42/650889342.db2.gz JLEXWTNEEYXPSW-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000126715661 650903433 /nfs/dbraw/zinc/90/34/33/650903433.db2.gz ZDGROPCPJUPVGK-AWEZNQCLSA-N 1 0 276.336 2.406 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000754535246 644385911 /nfs/dbraw/zinc/38/59/11/644385911.db2.gz FRACOMOAAWKQEP-GFCCVEGCSA-N 1 0 296.298 2.165 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000754542276 644387951 /nfs/dbraw/zinc/38/79/51/644387951.db2.gz UFDZQWVKXZFXJR-LBPRGKRZSA-N 1 0 296.298 2.165 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000755716339 644549225 /nfs/dbraw/zinc/54/92/25/644549225.db2.gz XHQJXZLKPJBMRW-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)o1 ZINC000857252358 644870976 /nfs/dbraw/zinc/87/09/76/644870976.db2.gz FAQMOTUHMUODAK-SECBINFHSA-N 1 0 292.295 2.170 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC(O)C1 ZINC000759871838 645086347 /nfs/dbraw/zinc/08/63/47/645086347.db2.gz XUMCQQXGDUXLLK-UHFFFAOYSA-N 1 0 270.716 2.203 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740241 645573270 /nfs/dbraw/zinc/57/32/70/645573270.db2.gz YVDFMJAFZCBRNV-ZWNOBZJWSA-N 1 0 290.319 2.341 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849349 645816723 /nfs/dbraw/zinc/81/67/23/645816723.db2.gz PAOZLWFXPYXVLP-CABZTGNLSA-N 1 0 293.348 2.436 20 5 CEBDRO Cc1sc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000773198725 646715235 /nfs/dbraw/zinc/71/52/35/646715235.db2.gz OPWFRMSIAOXLSE-VIFPVBQESA-N 1 0 297.380 2.179 20 5 CEBDRO CCC[N@H+](C)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773984302 646792978 /nfs/dbraw/zinc/79/29/78/646792978.db2.gz CZFDONQRRZWBIT-UHFFFAOYSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863919880 646850346 /nfs/dbraw/zinc/85/03/46/646850346.db2.gz FHZXRDIWQUHCFV-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776582784 647074584 /nfs/dbraw/zinc/07/45/84/647074584.db2.gz BYSOPZHPKWSKGH-MJVIPROJSA-N 1 0 296.392 2.454 20 5 CEBDRO CCN(CC(=O)NC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778940160 647274997 /nfs/dbraw/zinc/27/49/97/647274997.db2.gz KONJKKLENBDDJW-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO CC[NH+](CC)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865402182 647276128 /nfs/dbraw/zinc/27/61/28/647276128.db2.gz SKBDHKSULKZCDC-UHFFFAOYSA-N 1 0 299.346 2.370 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865472297 647312085 /nfs/dbraw/zinc/31/20/85/647312085.db2.gz WZFNBYMYRUAJDM-SNVBAGLBSA-N 1 0 299.346 2.368 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000865787717 647465089 /nfs/dbraw/zinc/46/50/89/647465089.db2.gz RSCCIRJXVVDWSA-UHFFFAOYSA-N 1 0 286.335 2.336 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265929 647704853 /nfs/dbraw/zinc/70/48/53/647704853.db2.gz VODFKSFZSVXYCK-GWCFXTLKSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CC1 ZINC000866277647 647713187 /nfs/dbraw/zinc/71/31/87/647713187.db2.gz GNJTYQDZQOHNIZ-JTQLQIEISA-N 1 0 282.315 2.027 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000866319884 647735235 /nfs/dbraw/zinc/73/52/35/647735235.db2.gz CVTFWDGLZBSSEF-VIFPVBQESA-N 1 0 279.271 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CC2)cc1Cl ZINC000783635472 647741478 /nfs/dbraw/zinc/74/14/78/647741478.db2.gz VMQBQLDMUSGSMH-LLVKDONJSA-N 1 0 270.716 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c(F)c1 ZINC000866724354 647883413 /nfs/dbraw/zinc/88/34/13/647883413.db2.gz LJMVYSXPSIEPHI-UONOGXRCSA-N 1 0 279.315 2.060 20 5 CEBDRO C/C(=C/C(=O)NC[C@@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785204250 647913749 /nfs/dbraw/zinc/91/37/49/647913749.db2.gz KEXFCZNDRDNOEV-UCQJPZFISA-N 1 0 291.351 2.064 20 5 CEBDRO C/C(=C/C(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785204249 647913771 /nfs/dbraw/zinc/91/37/71/647913771.db2.gz KEXFCZNDRDNOEV-MMRAYRKESA-N 1 0 291.351 2.064 20 5 CEBDRO CC[C@H](C)[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942746 647996223 /nfs/dbraw/zinc/99/62/23/647996223.db2.gz VXTJPPRPXVGEET-FIXISWKDSA-N 1 0 293.367 2.320 20 5 CEBDRO CN(CCC1CC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867977521 648007947 /nfs/dbraw/zinc/00/79/47/648007947.db2.gz JJKPIAOBBSWRPT-OAHLLOKOSA-N 1 0 291.351 2.027 20 5 CEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052947 648476365 /nfs/dbraw/zinc/47/63/65/648476365.db2.gz PWNKMPRARSISIG-CHWSQXEVSA-N 1 0 270.373 2.323 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037166 649249218 /nfs/dbraw/zinc/24/92/18/649249218.db2.gz BNGRUHPHOXCJMO-NXEZZACHSA-N 1 0 295.314 2.005 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062212 649258726 /nfs/dbraw/zinc/25/87/26/649258726.db2.gz LAKGDYZIEFSDHA-QMTHXVAHSA-N 1 0 298.314 2.190 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000872079136 649265768 /nfs/dbraw/zinc/26/57/68/649265768.db2.gz VFHCADLSHVXROP-ATZCPNFKSA-N 1 0 282.365 2.491 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000872125788 649285152 /nfs/dbraw/zinc/28/51/52/649285152.db2.gz GQSNPTXJLZLKMF-GVXVVHGQSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127447 649286101 /nfs/dbraw/zinc/28/61/01/649286101.db2.gz TWPMOJMBPOAOJC-KWBADKCTSA-N 1 0 282.315 2.025 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000872218789 649319601 /nfs/dbraw/zinc/31/96/01/649319601.db2.gz NSWBOMBQKABWQZ-MJBXVCDLSA-N 1 0 282.315 2.499 20 5 CEBDRO CS[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872224750 649321431 /nfs/dbraw/zinc/32/14/31/649321431.db2.gz LBGVPKCSOFLXMC-RAIGVLPGSA-N 1 0 282.365 2.112 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781730 649488750 /nfs/dbraw/zinc/48/87/50/649488750.db2.gz XWAHCWQHJLTSER-NEPJUHHUSA-N 1 0 296.758 2.316 20 5 CEBDRO CC[C@@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873076823 649553181 /nfs/dbraw/zinc/55/31/81/649553181.db2.gz BPFZETLXVOZEFV-GFCCVEGCSA-N 1 0 266.341 2.462 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873092230 649557731 /nfs/dbraw/zinc/55/77/31/649557731.db2.gz BYCOADBASBHNBE-UHFFFAOYSA-N 1 0 293.367 2.073 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C1(CO)CC1 ZINC000873135739 649566325 /nfs/dbraw/zinc/56/63/25/649566325.db2.gz MNEHKLLZFMZNOI-GFCCVEGCSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000873299199 649633212 /nfs/dbraw/zinc/63/32/12/649633212.db2.gz OIYSQMTWGVJCBV-SKDRFNHKSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873722113 649720279 /nfs/dbraw/zinc/72/02/79/649720279.db2.gz RRBLIAZKTGKJKU-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C)CC1 ZINC000873836309 649724948 /nfs/dbraw/zinc/72/49/48/649724948.db2.gz ZLNLTIJTYIWXML-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000879146143 651251174 /nfs/dbraw/zinc/25/11/74/651251174.db2.gz BBQBOGVAMOCTAZ-MFKMUULPSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@]12C[C@@H]1CCCC2 ZINC000879263202 651272908 /nfs/dbraw/zinc/27/29/08/651272908.db2.gz ITUFUJASBWASGO-SGMGOOAPSA-N 1 0 278.356 2.350 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127753189 651302924 /nfs/dbraw/zinc/30/29/24/651302924.db2.gz ADSYUBGYMWVXLE-LBPRGKRZSA-N 1 0 297.330 2.179 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879618112 651330787 /nfs/dbraw/zinc/33/07/87/651330787.db2.gz RPKZEXNEEDYBTG-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC1(CC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000880094300 651383516 /nfs/dbraw/zinc/38/35/16/651383516.db2.gz FBORGXMTIOHVAX-UHFFFAOYSA-N 1 0 293.367 2.411 20 5 CEBDRO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000880135132 651388830 /nfs/dbraw/zinc/38/88/30/651388830.db2.gz ZWCRSXLNGBVXEB-CVEARBPZSA-N 1 0 289.379 2.306 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880297470 651418828 /nfs/dbraw/zinc/41/88/28/651418828.db2.gz NHYXJJYWHMGTJF-LLVKDONJSA-N 1 0 295.314 2.215 20 5 CEBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880471251 651446856 /nfs/dbraw/zinc/44/68/56/651446856.db2.gz YDRNHMKVFHPBBL-WDEREUQCSA-N 1 0 283.328 2.186 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883187891 652393516 /nfs/dbraw/zinc/39/35/16/652393516.db2.gz YUSXGOBFODTPDW-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883200303 652398024 /nfs/dbraw/zinc/39/80/24/652398024.db2.gz FYMKSIFIMCBTDS-UONOGXRCSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883356126 652440321 /nfs/dbraw/zinc/44/03/21/652440321.db2.gz GQOKDKFQVCYGML-RISCZKNCSA-N 1 0 275.352 2.266 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000800186107 652678135 /nfs/dbraw/zinc/67/81/35/652678135.db2.gz SMROLVFSFBOBKN-UHFFFAOYSA-N 1 0 296.323 2.189 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884356123 652809484 /nfs/dbraw/zinc/80/94/84/652809484.db2.gz YZMMKYKIDIZTSQ-STQMWFEESA-N 1 0 291.351 2.013 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361031 652813402 /nfs/dbraw/zinc/81/34/02/652813402.db2.gz KPMKHIKOAZSZKU-OLZOCXBDSA-N 1 0 291.351 2.067 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164642313 719168830 /nfs/dbraw/zinc/16/88/30/719168830.db2.gz XJDBMFKOCUGGMF-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000408169518 719209965 /nfs/dbraw/zinc/20/99/65/719209965.db2.gz OCLVZJAEQVEYPR-VXGBXAGGSA-N 1 0 278.356 2.135 20 5 CEBDRO C[C@@H](CCNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000697869444 806719023 /nfs/dbraw/zinc/71/90/23/806719023.db2.gz HEOANFZSYMPWRE-NSHDSACASA-N 1 0 251.330 2.025 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160367482 806868709 /nfs/dbraw/zinc/86/87/09/806868709.db2.gz XRZZHOPAKBBRDL-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO COc1cccc2c1[C@H](OCC[N+](C)(C)C)CCO2 ZINC001224776609 806952777 /nfs/dbraw/zinc/95/27/77/806952777.db2.gz YHZLSPZQNFQUNX-CQSZACIVSA-N 1 0 266.361 2.242 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711370732 810064478 /nfs/dbraw/zinc/06/44/78/810064478.db2.gz RSIYBOWVDMYIEI-LLVKDONJSA-N 1 0 277.324 2.087 20 5 CEBDRO [NH3+]C[C@@]1(F)CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001157812657 812474476 /nfs/dbraw/zinc/47/44/76/812474476.db2.gz DUEQMQVRUKRLLP-AWEZNQCLSA-N 1 0 290.298 2.020 20 5 CEBDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892526 803079549 /nfs/dbraw/zinc/07/95/49/803079549.db2.gz OKPUBFAEYPQIRW-LLVKDONJSA-N 1 0 279.340 2.018 20 5 CEBDRO CCCc1nnc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)o1 ZINC001217733157 803415417 /nfs/dbraw/zinc/41/54/17/803415417.db2.gz MDPZJYOPTBNOKW-LLVKDONJSA-N 1 0 276.296 2.173 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218384543 803594578 /nfs/dbraw/zinc/59/45/78/803594578.db2.gz PXESQZRUSHIGFM-QUBYGPBYSA-N 1 0 276.214 2.353 20 5 CEBDRO CC[N@@H+]1CC[C@H](OCc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001223514276 804549237 /nfs/dbraw/zinc/54/92/37/804549237.db2.gz RXTRAARMJXFCTF-ZDUSSCGKSA-N 1 0 280.324 2.214 20 5 CEBDRO CC[N@@H+]1CC[C@@H](OCc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001223514275 804549591 /nfs/dbraw/zinc/54/95/91/804549591.db2.gz RXTRAARMJXFCTF-CYBMUJFWSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(O[C@@H]3CCC[NH2+]C3)c2c1 ZINC000710661842 805038906 /nfs/dbraw/zinc/03/89/06/805038906.db2.gz DIBYGDOWKYAWJP-GFCCVEGCSA-N 1 0 273.292 2.274 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000698119855 806991629 /nfs/dbraw/zinc/99/16/29/806991629.db2.gz NTQYOPRSQQOECO-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716858965 815147485 /nfs/dbraw/zinc/14/74/85/815147485.db2.gz ASJUSFNQEWPMIA-PSASIEDQSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833083 807865140 /nfs/dbraw/zinc/86/51/40/807865140.db2.gz FIZMFOPWNANOGP-VXGBXAGGSA-N 1 0 280.324 2.118 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631333 809335173 /nfs/dbraw/zinc/33/51/73/809335173.db2.gz CAUGBAHDWXYEPO-JTQLQIEISA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067650 809384986 /nfs/dbraw/zinc/38/49/86/809384986.db2.gz FXVYPDSVMUNMMN-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000702411793 809552272 /nfs/dbraw/zinc/55/22/72/809552272.db2.gz SCKFZVOUTQCJPR-YGRLFVJLSA-N 1 0 279.315 2.122 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCSC2)cc1 ZINC000704796011 809753283 /nfs/dbraw/zinc/75/32/83/809753283.db2.gz HJADMKWHLFDJIW-SMDDNHRTSA-N 1 0 296.392 2.361 20 5 CEBDRO CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000709506532 809962693 /nfs/dbraw/zinc/96/26/93/809962693.db2.gz CTGBKRGUZBUKKW-SNVBAGLBSA-N 1 0 270.304 2.325 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+](C)C ZINC001163776591 810191826 /nfs/dbraw/zinc/19/18/26/810191826.db2.gz FEFYBMQLGWLQKM-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC001165252131 810403022 /nfs/dbraw/zinc/40/30/22/810403022.db2.gz AMTWDFGLQXRQQB-SECBINFHSA-N 1 0 299.762 2.182 20 5 CEBDRO CCCC(=O)N(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273236426 810532821 /nfs/dbraw/zinc/53/28/21/810532821.db2.gz BHUJERRODNAJJA-UHFFFAOYSA-N 1 0 293.367 2.333 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001122166852 815389814 /nfs/dbraw/zinc/38/98/14/815389814.db2.gz OKIRPQXYBWMECL-MFKMUULPSA-N 1 0 291.351 2.160 20 5 CEBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001155298350 811035242 /nfs/dbraw/zinc/03/52/42/811035242.db2.gz RKQHHXNAFGARJV-SNVBAGLBSA-N 1 0 288.282 2.150 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712335487 811193398 /nfs/dbraw/zinc/19/33/98/811193398.db2.gz KKVGJAJFNNASBA-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(NC(=O)CCC23CC(C2)C[NH2+]3)cc([N+](=O)[O-])c1 ZINC001122598825 815429393 /nfs/dbraw/zinc/42/93/93/815429393.db2.gz BFIXKQMPFUTKKE-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N(CC[NH3+])c1cccnc1 ZINC001168836417 811262829 /nfs/dbraw/zinc/26/28/29/811262829.db2.gz MEVBSIKJKICTBJ-UHFFFAOYSA-N 1 0 272.308 2.395 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccncc3)CC2)C1 ZINC001168976219 811305879 /nfs/dbraw/zinc/30/58/79/811305879.db2.gz ZRJXGWUGFUYEGP-YPMHNXCESA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC001168978199 811306195 /nfs/dbraw/zinc/30/61/95/811306195.db2.gz PSLURXCLIAQEHB-AEGPPILISA-N 1 0 278.352 2.145 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Nc1ccccc1 ZINC001168978285 811306455 /nfs/dbraw/zinc/30/64/55/811306455.db2.gz QSLAFBWLBXMCFT-GXTWGEPZSA-N 1 0 291.351 2.050 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC001168977752 811306535 /nfs/dbraw/zinc/30/65/35/811306535.db2.gz LPDKKPYDOGHLOB-OCCSQVGLSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCc2ccccn2)C1 ZINC001168977433 811307158 /nfs/dbraw/zinc/30/71/58/811307158.db2.gz JSGOSEVQUYTOFF-ZFWWWQNUSA-N 1 0 277.368 2.439 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982854 811309468 /nfs/dbraw/zinc/30/94/68/811309468.db2.gz JCWINVJROXVWBL-WDMOLILDSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3ncoc32)C1 ZINC001168985021 811310733 /nfs/dbraw/zinc/31/07/33/811310733.db2.gz CBQHABABQHVLIS-JQWIXIFHSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001168985949 811313978 /nfs/dbraw/zinc/31/39/78/811313978.db2.gz VVVDUIIPRVJYQT-UBHSHLNASA-N 1 0 276.336 2.025 20 5 CEBDRO Cn1c2ccccc2nc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960190 811314009 /nfs/dbraw/zinc/31/40/09/811314009.db2.gz DNYLGMZFGVTHHX-RYUDHWBXSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001168959554 811314362 /nfs/dbraw/zinc/31/43/62/811314362.db2.gz WQKLAMOZBGFWPX-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO CCOC(CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCC ZINC001168961938 811314995 /nfs/dbraw/zinc/31/49/95/811314995.db2.gz LKHCMEFQDDVBRN-QWHCGFSZSA-N 1 0 288.388 2.201 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC001168963687 811317316 /nfs/dbraw/zinc/31/73/16/811317316.db2.gz PSLURXCLIAQEHB-BPLDGKMQSA-N 1 0 278.352 2.145 20 5 CEBDRO CN(C)[C@H](C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968347 811319644 /nfs/dbraw/zinc/31/96/44/811319644.db2.gz XWVXYFCEQZNXII-NUEKZKHPSA-N 1 0 291.395 2.324 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001168970746 811320862 /nfs/dbraw/zinc/32/08/62/811320862.db2.gz IVTPLESWXAMGJG-NWDGAFQWSA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3C2)C1 ZINC001168993580 811325755 /nfs/dbraw/zinc/32/57/55/811325755.db2.gz NKCMXIURYHUTLA-IPYPFGDCSA-N 1 0 290.363 2.273 20 5 CEBDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168997555 811327009 /nfs/dbraw/zinc/32/70/09/811327009.db2.gz DHUMMSMFJZFZSI-RYUDHWBXSA-N 1 0 279.340 2.015 20 5 CEBDRO CC(C)(Cc1ccncc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999082 811327546 /nfs/dbraw/zinc/32/75/46/811327546.db2.gz RUGAPGVIBJHIBX-KGLIPLIRSA-N 1 0 277.368 2.438 20 5 CEBDRO Cc1ccc([C@@H](CO)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169002017 811328217 /nfs/dbraw/zinc/32/82/17/811328217.db2.gz JEZNOZYYRAZIRL-AEGPPILISA-N 1 0 278.352 2.063 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccncc32)C1 ZINC001169003506 811329592 /nfs/dbraw/zinc/32/95/92/811329592.db2.gz NVFPAANNZRHPRZ-UXIGCNINSA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cc(Cl)ccn2)C1 ZINC001169005447 811329716 /nfs/dbraw/zinc/32/97/16/811329716.db2.gz UMIJESLKZBCUJK-CMPLNLGQSA-N 1 0 299.758 2.149 20 5 CEBDRO O=c1[nH]c2cc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)ccc2o1 ZINC001169006555 811331464 /nfs/dbraw/zinc/33/14/64/811331464.db2.gz YTDFKJGLRXUAIB-QWRGUYRKSA-N 1 0 291.307 2.068 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC001169007141 811331536 /nfs/dbraw/zinc/33/15/36/811331536.db2.gz LLVCANXGBXUPMI-GDBMZVCRSA-N 1 0 289.379 2.254 20 5 CEBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169011987 811333741 /nfs/dbraw/zinc/33/37/41/811333741.db2.gz OKGRCPACKHZNKJ-KKOKHZNYSA-N 1 0 262.300 2.204 20 5 CEBDRO Cn1nc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168989830 811338606 /nfs/dbraw/zinc/33/86/06/811338606.db2.gz WVQAZXUTCDHSPG-RYUDHWBXSA-N 1 0 288.351 2.108 20 5 CEBDRO CSC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033000 811344395 /nfs/dbraw/zinc/34/43/95/811344395.db2.gz AWVADLHCMLWKLU-GHMZBOCLSA-N 1 0 258.387 2.259 20 5 CEBDRO COc1cccc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169046826 811357436 /nfs/dbraw/zinc/35/74/36/811357436.db2.gz NNCLPQJZNUZORO-JSGCOSHPSA-N 1 0 290.363 2.499 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001169230001 811442447 /nfs/dbraw/zinc/44/24/47/811442447.db2.gz NMWVGCZANYUGGX-SECBINFHSA-N 1 0 287.323 2.074 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169232417 811446004 /nfs/dbraw/zinc/44/60/04/811446004.db2.gz FACYGTSLFCBXBC-VIFPVBQESA-N 1 0 276.296 2.117 20 5 CEBDRO C/C=C(\C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156344556 811584507 /nfs/dbraw/zinc/58/45/07/811584507.db2.gz ZXXXOXQBHOGYPL-KGVSQERTSA-N 1 0 291.351 2.157 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)c1 ZINC001169725272 811626820 /nfs/dbraw/zinc/62/68/20/811626820.db2.gz DPAFPWXYOATUNA-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO COc1cnc(NC(C)(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001169716340 811639703 /nfs/dbraw/zinc/63/97/03/811639703.db2.gz QUVURCIFUHKKJX-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO C[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001156689260 811883861 /nfs/dbraw/zinc/88/38/61/811883861.db2.gz RAGHVVHSQRUESF-ZCFIWIBFSA-N 1 0 291.138 2.095 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000771287900 811954582 /nfs/dbraw/zinc/95/45/82/811954582.db2.gz NFSMVNPMTHJCCC-VHSXEESVSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001123454428 815519363 /nfs/dbraw/zinc/51/93/63/815519363.db2.gz XZRUWPLNKVXIRL-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO COCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294596 812374631 /nfs/dbraw/zinc/37/46/31/812374631.db2.gz BOUAUURTJWNKFT-NSHDSACASA-N 1 0 282.340 2.161 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001170297037 812376950 /nfs/dbraw/zinc/37/69/50/812376950.db2.gz KHZVFAFQCBCGGG-DGCLKSJQSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC001170304262 812380314 /nfs/dbraw/zinc/38/03/14/812380314.db2.gz AQOAZNQUTXACBS-LLVKDONJSA-N 1 0 294.351 2.039 20 5 CEBDRO CCCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123573395 815533597 /nfs/dbraw/zinc/53/35/97/815533597.db2.gz GSTIQMCUCQXUTI-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO COC(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172901150 815539951 /nfs/dbraw/zinc/53/99/51/815539951.db2.gz KCCHPDNEUPJBOR-CYBMUJFWSA-N 1 0 294.351 2.051 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908117 815540673 /nfs/dbraw/zinc/54/06/73/815540673.db2.gz KZIUIJUMUXDSJJ-WPGHFRTFSA-N 1 0 290.363 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[N@@H+]4CC[C@H]4C3)nc2c1 ZINC001158422676 812695469 /nfs/dbraw/zinc/69/54/69/812695469.db2.gz DYJKDQSDIMIYST-ZDUSSCGKSA-N 1 0 284.319 2.037 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001170889128 813616846 /nfs/dbraw/zinc/61/68/46/813616846.db2.gz KFRVSELIHMXBHO-MRVPVSSYSA-N 1 0 278.287 2.431 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000689625059 813990415 /nfs/dbraw/zinc/99/04/15/813990415.db2.gz JFFQDOREJYWNRL-RYUDHWBXSA-N 1 0 286.278 2.263 20 5 CEBDRO CC(C)([NH3+])CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001171188860 814081205 /nfs/dbraw/zinc/08/12/05/814081205.db2.gz TWJHDDVZGHYAGR-UHFFFAOYSA-N 1 0 285.735 2.065 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(C)(C)C[NH3+])c1F ZINC001173177352 815617047 /nfs/dbraw/zinc/61/70/47/815617047.db2.gz SXMQZLUSKPZCTI-VIFPVBQESA-N 1 0 299.346 2.000 20 5 CEBDRO CN(C)c1ccc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171335648 814601246 /nfs/dbraw/zinc/60/12/46/814601246.db2.gz PTDZQGNRFDPGND-NSHDSACASA-N 1 0 278.356 2.215 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000714612766 814905013 /nfs/dbraw/zinc/90/50/13/814905013.db2.gz GYFKJPKZUDHYSQ-OTCDBFHCSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)C1 ZINC001173215209 815623831 /nfs/dbraw/zinc/62/38/31/815623831.db2.gz UINKIJSLECEMRW-TZMCWYRMSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1cc(C[NH3+])nn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215100 815623934 /nfs/dbraw/zinc/62/39/34/815623934.db2.gz SBNKGCZFHDXFEG-JTQLQIEISA-N 1 0 274.324 2.362 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C=C(N)C=CC1 ZINC001173220931 815625871 /nfs/dbraw/zinc/62/58/71/815625871.db2.gz IMXFFPZPSJFGHJ-LLVKDONJSA-N 1 0 259.309 2.198 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC001173221974 815626135 /nfs/dbraw/zinc/62/61/35/815626135.db2.gz OBCJROJGAPRKIR-TYNCELHUSA-N 1 0 278.352 2.229 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222219 815628208 /nfs/dbraw/zinc/62/82/08/815628208.db2.gz QSBRGDUKIWDORJ-AAEUAGOBSA-N 1 0 292.335 2.021 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226644 815630638 /nfs/dbraw/zinc/63/06/38/815630638.db2.gz NDTFELUMZAZWJN-ZDUSSCGKSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC001173229970 815631028 /nfs/dbraw/zinc/63/10/28/815631028.db2.gz WRAAIYYXQAIULW-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CCOC1 ZINC001173229174 815631182 /nfs/dbraw/zinc/63/11/82/815631182.db2.gz LTSNRBLYMXDATC-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO CCOC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232374 815632217 /nfs/dbraw/zinc/63/22/17/815632217.db2.gz FTOXRUOAWCMESV-LBPRGKRZSA-N 1 0 294.351 2.411 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCCC1 ZINC001173213041 815635291 /nfs/dbraw/zinc/63/52/91/815635291.db2.gz CZBBITOJJSJHJJ-CYBMUJFWSA-N 1 0 277.368 2.211 20 5 CEBDRO Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000036964534 816379515 /nfs/dbraw/zinc/37/95/15/816379515.db2.gz HKUHDTGJPGVLOL-CYBMUJFWSA-N 1 0 261.325 2.409 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000449066031 282086630 /nfs/dbraw/zinc/08/66/30/282086630.db2.gz YMIHRSXTEWNWMF-GFCCVEGCSA-N 1 0 279.384 2.456 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298733 346815348 /nfs/dbraw/zinc/81/53/48/346815348.db2.gz KDLSQEDKVKPFJO-LDYMZIIASA-N 1 0 274.267 2.262 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127662136 187324951 /nfs/dbraw/zinc/32/49/51/187324951.db2.gz SKJHQWPCKSZMPY-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337544448 214147318 /nfs/dbraw/zinc/14/73/18/214147318.db2.gz LNFRVEJCFKBIHP-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335246 346823857 /nfs/dbraw/zinc/82/38/57/346823857.db2.gz RYHQZVZALRYJSQ-SMDDNHRTSA-N 1 0 293.342 2.308 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190704 282136543 /nfs/dbraw/zinc/13/65/43/282136543.db2.gz NNGZCIGRXDTLGW-DGCLKSJQSA-N 1 0 298.408 2.229 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273090729 192040224 /nfs/dbraw/zinc/04/02/24/192040224.db2.gz NVOZMVSJNLECQX-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449194158 282138259 /nfs/dbraw/zinc/13/82/59/282138259.db2.gz OQHCQDWTGJUOSK-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976543 361877053 /nfs/dbraw/zinc/87/70/53/361877053.db2.gz LNDXWBNIQSWXLD-YPMHNXCESA-N 1 0 291.351 2.223 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563122 361903156 /nfs/dbraw/zinc/90/31/56/361903156.db2.gz OTYBQHOYAMKUSN-VIFPVBQESA-N 1 0 266.326 2.031 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000449226510 282148435 /nfs/dbraw/zinc/14/84/35/282148435.db2.gz XTHCSAQLIOQZIZ-FKANQGBASA-N 1 0 298.408 2.273 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccnc2)cs1 ZINC000037718245 361924622 /nfs/dbraw/zinc/92/46/22/361924622.db2.gz CPHXKMIBAPJISG-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000040774779 361997171 /nfs/dbraw/zinc/99/71/71/361997171.db2.gz SZUOZKLQTAUVOZ-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000449281013 282170248 /nfs/dbraw/zinc/17/02/48/282170248.db2.gz BUDXWFMIHMRLMP-DCBWTQNWSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000449313310 282183994 /nfs/dbraw/zinc/18/39/94/282183994.db2.gz OSLHZHNHEHAZIP-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000449405104 282223507 /nfs/dbraw/zinc/22/35/07/282223507.db2.gz XFZRUEGLEUYYMS-GFCCVEGCSA-N 1 0 276.336 2.462 20 5 CEBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037160763 343425454 /nfs/dbraw/zinc/42/54/54/343425454.db2.gz IYQRGCPMFSOHSJ-RISCZKNCSA-N 1 0 293.367 2.406 20 5 CEBDRO CCC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044985010 343479150 /nfs/dbraw/zinc/47/91/50/343479150.db2.gz WOXQYPSRPLNISD-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(OCc2nc(C(C)(C)[NH3+])no2)c1 ZINC000043402657 343463774 /nfs/dbraw/zinc/46/37/74/343463774.db2.gz DSZNODHYDHVZJJ-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047119927 343511900 /nfs/dbraw/zinc/51/19/00/343511900.db2.gz BEAHGBIKBZJIFO-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049091986 343534566 /nfs/dbraw/zinc/53/45/66/343534566.db2.gz LDYLKPBJCYAECJ-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000046854291 343504777 /nfs/dbraw/zinc/50/47/77/343504777.db2.gz XOZUKAVDGZFJAY-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160106 343557256 /nfs/dbraw/zinc/55/72/56/343557256.db2.gz KWXJSSFPOPAECO-QWRGUYRKSA-N 1 0 295.387 2.169 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127686743 290695540 /nfs/dbraw/zinc/69/55/40/290695540.db2.gz TZUAOZXLORFBCY-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000295043634 199317085 /nfs/dbraw/zinc/31/70/85/199317085.db2.gz FCJZIZSHZZMKPA-AWEZNQCLSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056987269 343622874 /nfs/dbraw/zinc/62/28/74/343622874.db2.gz MKYNWPMDSNAMHO-WDEREUQCSA-N 1 0 295.339 2.038 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295057538 199322974 /nfs/dbraw/zinc/32/29/74/199322974.db2.gz OAQGEXWSLZMGTA-SNVBAGLBSA-N 1 0 252.314 2.234 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449603630 282300819 /nfs/dbraw/zinc/30/08/19/282300819.db2.gz RDZUKOHKCLXGLQ-NEPJUHHUSA-N 1 0 293.367 2.030 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000411301796 529871412 /nfs/dbraw/zinc/87/14/12/529871412.db2.gz YGPWUEFWCQHQQQ-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000072672707 343808871 /nfs/dbraw/zinc/80/88/71/343808871.db2.gz IYABPQYFDGTEQO-LLVKDONJSA-N 1 0 276.296 2.298 20 5 CEBDRO COCCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078302420 343946038 /nfs/dbraw/zinc/94/60/38/343946038.db2.gz KPBNFMSPEQIVNH-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295086617 199337471 /nfs/dbraw/zinc/33/74/71/199337471.db2.gz DUYPUCMQMXJESG-SNVBAGLBSA-N 1 0 252.314 2.186 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000078332680 343947672 /nfs/dbraw/zinc/94/76/72/343947672.db2.gz XZNDXZAFLFIDLT-YPMHNXCESA-N 1 0 278.356 2.156 20 5 CEBDRO COCC[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000088484239 344110253 /nfs/dbraw/zinc/11/02/53/344110253.db2.gz PCMZANYJLBKWNS-CYBMUJFWSA-N 1 0 293.367 2.142 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCOCC2)c1 ZINC000088723178 344113417 /nfs/dbraw/zinc/11/34/17/344113417.db2.gz GBSGSOUGGFKYCO-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207460 344075910 /nfs/dbraw/zinc/07/59/10/344075910.db2.gz APIMCNIXBPVPHI-JTQLQIEISA-N 1 0 291.307 2.204 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000083444669 344077145 /nfs/dbraw/zinc/07/71/45/344077145.db2.gz QYFIGIUUNAFMHQ-UHFFFAOYSA-N 1 0 287.323 2.093 20 5 CEBDRO CC[N@H+](C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000091461466 344164314 /nfs/dbraw/zinc/16/43/14/344164314.db2.gz QBNHYPNDGXGZJP-UHFFFAOYSA-N 1 0 271.292 2.106 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929703 344131286 /nfs/dbraw/zinc/13/12/86/344131286.db2.gz ZFMZIKBIHGLCRX-GHMZBOCLSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090663569 344142524 /nfs/dbraw/zinc/14/25/24/344142524.db2.gz ZJGRTZXKJISIKY-GFCCVEGCSA-N 1 0 294.351 2.035 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602441872 347034765 /nfs/dbraw/zinc/03/47/65/347034765.db2.gz ZIRDKQUJZXLMOT-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602441533 347034942 /nfs/dbraw/zinc/03/49/42/347034942.db2.gz OPYGUQVVBSTTDE-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205539 187289148 /nfs/dbraw/zinc/28/91/48/187289148.db2.gz AWTWRFCFWFDKIH-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106228 344213878 /nfs/dbraw/zinc/21/38/78/344213878.db2.gz HRRLUAMHFLXZDI-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+](C)C)c1 ZINC000092581648 344195669 /nfs/dbraw/zinc/19/56/69/344195669.db2.gz MFAYVTXQBLIQSE-UHFFFAOYSA-N 1 0 271.292 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000092656562 344198014 /nfs/dbraw/zinc/19/80/14/344198014.db2.gz IXIYVBKXOOVCHW-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000049558809 362373159 /nfs/dbraw/zinc/37/31/59/362373159.db2.gz IGQYQLLHZUOQSF-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO CC[NH+](CC)CCCNc1cccnc1[N+](=O)[O-] ZINC000159281559 344454510 /nfs/dbraw/zinc/45/45/10/344454510.db2.gz SGDGKFFZTCSXFA-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000161037243 344463099 /nfs/dbraw/zinc/46/30/99/344463099.db2.gz AVNYAJCIIZAPLV-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484404 347054737 /nfs/dbraw/zinc/05/47/37/347054737.db2.gz OOMWDWFASNHTBO-VXGBXAGGSA-N 1 0 298.412 2.434 20 5 CEBDRO Cc1c(-c2nc([C@@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000228560599 344560745 /nfs/dbraw/zinc/56/07/45/344560745.db2.gz ZIABULCQBROTBZ-JTQLQIEISA-N 1 0 274.280 2.378 20 5 CEBDRO COc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000228560615 344561021 /nfs/dbraw/zinc/56/10/21/344561021.db2.gz TXTWTXSXNFWKIT-VIFPVBQESA-N 1 0 290.279 2.078 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229964881 344569726 /nfs/dbraw/zinc/56/97/26/344569726.db2.gz GSWFFLXJKUCLOQ-LBPRGKRZSA-N 1 0 275.312 2.035 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000449738803 282347414 /nfs/dbraw/zinc/34/74/14/282347414.db2.gz FSZSXWMIVGZOLO-NHYWBVRUSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000449739293 282347843 /nfs/dbraw/zinc/34/78/43/282347843.db2.gz JWTYTFWZTQDGKD-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533420 344636596 /nfs/dbraw/zinc/63/65/96/344636596.db2.gz ALJYCOQBKZHWMV-GXTWGEPZSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000312515301 344738810 /nfs/dbraw/zinc/73/88/10/344738810.db2.gz ATUWJQRGEHJEAS-SFYZADRCSA-N 1 0 293.352 2.152 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313842011 344743462 /nfs/dbraw/zinc/74/34/62/344743462.db2.gz QJIXCZATBBAXPC-ZDUSSCGKSA-N 1 0 293.302 2.030 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000293346438 344691915 /nfs/dbraw/zinc/69/19/15/344691915.db2.gz YZHRGUUKONXZLP-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1cncc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000402668585 344873218 /nfs/dbraw/zinc/87/32/18/344873218.db2.gz BWMZLIVAQSIIBN-UHFFFAOYSA-N 1 0 286.335 2.068 20 5 CEBDRO Cc1cccc(C(=O)N2CCCCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000602577264 347085764 /nfs/dbraw/zinc/08/57/64/347085764.db2.gz GECDJXFAPIKRPQ-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000584705554 344978123 /nfs/dbraw/zinc/97/81/23/344978123.db2.gz KCXHLBOETOLJIG-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744290 344982800 /nfs/dbraw/zinc/98/28/00/344982800.db2.gz UTUPPIFWPRDIGJ-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000273938122 192370135 /nfs/dbraw/zinc/37/01/35/192370135.db2.gz CVTHTQZSTYHQLH-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000591147467 345225006 /nfs/dbraw/zinc/22/50/06/345225006.db2.gz CODBXWCVKFJCTK-GXFFZTMASA-N 1 0 296.346 2.295 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243925 345233832 /nfs/dbraw/zinc/23/38/32/345233832.db2.gz XMNDYJSINDKEFD-NWDGAFQWSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972136 345207832 /nfs/dbraw/zinc/20/78/32/345207832.db2.gz HXTGTYKUCBLMIP-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000591451247 345257807 /nfs/dbraw/zinc/25/78/07/345257807.db2.gz QYRQAZGFCPUYGJ-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127382747 187301566 /nfs/dbraw/zinc/30/15/66/187301566.db2.gz IWVYRNYFRGFEJR-OAHLLOKOSA-N 1 0 293.367 2.017 20 5 CEBDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577853 345266164 /nfs/dbraw/zinc/26/61/64/345266164.db2.gz IWIASBHJNNYHDC-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356962 345345138 /nfs/dbraw/zinc/34/51/38/345345138.db2.gz NKJHEQORJDNTQE-JTQLQIEISA-N 1 0 290.279 2.078 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000514727776 313053963 /nfs/dbraw/zinc/05/39/63/313053963.db2.gz MBLHNUWNJUKGSZ-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438938 345353515 /nfs/dbraw/zinc/35/35/15/345353515.db2.gz WTXPXJFIVBQSMC-AWEZNQCLSA-N 1 0 275.352 2.359 20 5 CEBDRO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489427 345359505 /nfs/dbraw/zinc/35/95/05/345359505.db2.gz VKNYNMWFGGMIMK-ZWNOBZJWSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593110265 345441201 /nfs/dbraw/zinc/44/12/01/345441201.db2.gz SXENAPQWGOWRFW-JTQLQIEISA-N 1 0 252.314 2.106 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+]1CCCCC1 ZINC000593515242 345501597 /nfs/dbraw/zinc/50/15/97/345501597.db2.gz DHHIBHRCLWNFBT-UHFFFAOYSA-N 1 0 295.387 2.042 20 5 CEBDRO CC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838789 362596389 /nfs/dbraw/zinc/59/63/89/362596389.db2.gz RADODTDHOPJBNZ-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127435142 187305651 /nfs/dbraw/zinc/30/56/51/187305651.db2.gz MMELXCBQPCPPJT-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593681878 345520060 /nfs/dbraw/zinc/52/00/60/345520060.db2.gz KUKQLOCCRWJQEI-NSHDSACASA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718721 345526572 /nfs/dbraw/zinc/52/65/72/345526572.db2.gz PYVFTRRUUQZVBE-MNOVXSKESA-N 1 0 270.304 2.274 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719503 345527246 /nfs/dbraw/zinc/52/72/46/345527246.db2.gz YZSQTJYVHXNJAB-PWSUYJOCSA-N 1 0 270.304 2.274 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCOC1 ZINC000594502063 345639058 /nfs/dbraw/zinc/63/90/58/345639058.db2.gz CJSOCLMQWWBXMA-ZWNOBZJWSA-N 1 0 262.309 2.208 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514456 345641178 /nfs/dbraw/zinc/64/11/78/345641178.db2.gz YEOVTNGXYPERHZ-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594516965 345642369 /nfs/dbraw/zinc/64/23/69/345642369.db2.gz ZSVFYBZAEOGAMB-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058888321 362642397 /nfs/dbraw/zinc/64/23/97/362642397.db2.gz KMTZZJGLEGFKKL-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736511 345681940 /nfs/dbraw/zinc/68/19/40/345681940.db2.gz QQSUXKOTPJYSPE-VURMDHGXSA-N 1 0 263.341 2.277 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000594933991 345707848 /nfs/dbraw/zinc/70/78/48/345707848.db2.gz BYBVVFBSZYSPOP-GXTWGEPZSA-N 1 0 264.325 2.294 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000594954009 345715075 /nfs/dbraw/zinc/71/50/75/345715075.db2.gz VVRQQEFBSFMVKS-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594982770 345721436 /nfs/dbraw/zinc/72/14/36/345721436.db2.gz GNUSPFBAKPBEMW-ZDUSSCGKSA-N 1 0 278.352 2.401 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000594982769 345721477 /nfs/dbraw/zinc/72/14/77/345721477.db2.gz GNUSPFBAKPBEMW-CYBMUJFWSA-N 1 0 278.352 2.401 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(F)c1 ZINC000594983534 345721543 /nfs/dbraw/zinc/72/15/43/345721543.db2.gz OYEMNDSQFUPIMX-LLVKDONJSA-N 1 0 282.315 2.232 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594988326 345722529 /nfs/dbraw/zinc/72/25/29/345722529.db2.gz QDILZNZQAVKPRA-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000595020353 345728732 /nfs/dbraw/zinc/72/87/32/345728732.db2.gz XAOZXNIDGGIOHE-LBPRGKRZSA-N 1 0 292.335 2.275 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000595033197 345731550 /nfs/dbraw/zinc/73/15/50/345731550.db2.gz BQIRUXDEYXHZST-CQSZACIVSA-N 1 0 286.335 2.459 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)OC ZINC000595043734 345733513 /nfs/dbraw/zinc/73/35/13/345733513.db2.gz ZRADTIDXMZGSMD-UWVGGRQHSA-N 1 0 268.313 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000595050725 345734976 /nfs/dbraw/zinc/73/49/76/345734976.db2.gz JSHQNHHMALWOJA-IINYFYTJSA-N 1 0 294.351 2.415 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595565271 345815188 /nfs/dbraw/zinc/81/51/88/345815188.db2.gz DQZRVNPGTSUWSB-AAEUAGOBSA-N 1 0 289.335 2.068 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595450637 345786162 /nfs/dbraw/zinc/78/61/62/345786162.db2.gz UQDMWRMIPVUSRN-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595731363 345861652 /nfs/dbraw/zinc/86/16/52/345861652.db2.gz DHGVXTZASWVPQO-HBYGRHMLSA-N 1 0 294.351 2.052 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835781 345892546 /nfs/dbraw/zinc/89/25/46/345892546.db2.gz VLEUBNRAFGUJMN-DGCLKSJQSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595755645 345867472 /nfs/dbraw/zinc/86/74/72/345867472.db2.gz CBJGKVJBEWEHSP-UKRRQHHQSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595755644 345867480 /nfs/dbraw/zinc/86/74/80/345867480.db2.gz CBJGKVJBEWEHSP-HIFRSBDPSA-N 1 0 276.336 2.106 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595764880 345870268 /nfs/dbraw/zinc/87/02/68/345870268.db2.gz FVPUZOIRUZOASE-OLZOCXBDSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC(F)CC1 ZINC000595819405 345885615 /nfs/dbraw/zinc/88/56/15/345885615.db2.gz PDYBHTGBPRNICD-VOMCLLRMSA-N 1 0 284.335 2.298 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC2CC1(C)C2 ZINC000595917610 345912858 /nfs/dbraw/zinc/91/28/58/345912858.db2.gz ZIVGSYPGPPYSET-RWWNRMGGSA-N 1 0 289.335 2.406 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595985852 345921233 /nfs/dbraw/zinc/92/12/33/345921233.db2.gz MPRRXIRSWQSZJB-OAHLLOKOSA-N 1 0 291.351 2.200 20 5 CEBDRO Cc1cc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596077198 345934162 /nfs/dbraw/zinc/93/41/62/345934162.db2.gz MVAYTWCSFCWXLE-UHFFFAOYSA-N 1 0 299.396 2.489 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC)CC1 ZINC000175060462 232304790 /nfs/dbraw/zinc/30/47/90/232304790.db2.gz GFVJPFWSVFQGOI-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000596307404 345995486 /nfs/dbraw/zinc/99/54/86/345995486.db2.gz MFZMREOXIIZVQG-LLVKDONJSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000596425628 346020321 /nfs/dbraw/zinc/02/03/21/346020321.db2.gz SPRBFRYMFPUYNB-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000596327054 346000885 /nfs/dbraw/zinc/00/08/85/346000885.db2.gz MZVWYHXHQCHZSM-SNVBAGLBSA-N 1 0 264.329 2.275 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596517564 346044498 /nfs/dbraw/zinc/04/44/98/346044498.db2.gz OTFOPCTVWBGASL-SECBINFHSA-N 1 0 268.292 2.025 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCCc3n[nH]cc3C2)cs1 ZINC000596597834 346062567 /nfs/dbraw/zinc/06/25/67/346062567.db2.gz YSSKPEDMXXZMHD-UHFFFAOYSA-N 1 0 278.337 2.328 20 5 CEBDRO C[C@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000597233969 346156550 /nfs/dbraw/zinc/15/65/50/346156550.db2.gz DQIXNNYVGWENII-QMMMGPOBSA-N 1 0 270.716 2.251 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cs1 ZINC000336788461 365808956 /nfs/dbraw/zinc/80/89/56/365808956.db2.gz PITSIMCXCOQXKJ-GXSJLCMTSA-N 1 0 270.354 2.297 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925825 346254327 /nfs/dbraw/zinc/25/43/27/346254327.db2.gz RYTKDTFGUQTYEJ-GFCCVEGCSA-N 1 0 291.351 2.197 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040869 362674177 /nfs/dbraw/zinc/67/41/77/362674177.db2.gz QPUOOLDUCUHKSU-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000598342056 346331857 /nfs/dbraw/zinc/33/18/57/346331857.db2.gz CRFDXJOYYOHNAC-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000062010098 362701763 /nfs/dbraw/zinc/70/17/63/362701763.db2.gz XQUJYRZCIKJIBN-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598677250 346399344 /nfs/dbraw/zinc/39/93/44/346399344.db2.gz NVGIYWQKZILHGJ-SMDDNHRTSA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598677246 346399475 /nfs/dbraw/zinc/39/94/75/346399475.db2.gz NVGIYWQKZILHGJ-BXUZGUMPSA-N 1 0 278.352 2.354 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598646607 346392226 /nfs/dbraw/zinc/39/22/26/346392226.db2.gz URLPRJJDTFIPHW-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916441 346433850 /nfs/dbraw/zinc/43/38/50/346433850.db2.gz YUIMJOGGXRWNKQ-SECBINFHSA-N 1 0 298.318 2.229 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336794046 365816554 /nfs/dbraw/zinc/81/65/54/365816554.db2.gz ZKPVJRNPDBZQEL-QMMMGPOBSA-N 1 0 255.293 2.310 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063191413 362755342 /nfs/dbraw/zinc/75/53/42/362755342.db2.gz YBLUIVUYPWCVCI-DGCLKSJQSA-N 1 0 263.341 2.297 20 5 CEBDRO Cc1c(C(=O)NCC2(C)CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000129045986 365820905 /nfs/dbraw/zinc/82/09/05/365820905.db2.gz NHKYJHAVRFEUBA-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599602919 346544755 /nfs/dbraw/zinc/54/47/55/346544755.db2.gz ARQNVEPSXMVWTP-GFCCVEGCSA-N 1 0 290.323 2.001 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681651 346672977 /nfs/dbraw/zinc/67/29/77/346672977.db2.gz ZVYJEIYTKVOIQH-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000600207206 346623495 /nfs/dbraw/zinc/62/34/95/346623495.db2.gz KOOZWFNAVUIRLT-GOEBONIOSA-N 1 0 290.363 2.498 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000600883741 346703568 /nfs/dbraw/zinc/70/35/68/346703568.db2.gz AQZVWIWPVMXRCV-GXSJLCMTSA-N 1 0 296.758 2.222 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](CC2CC2)CC1 ZINC000601105180 346754146 /nfs/dbraw/zinc/75/41/46/346754146.db2.gz COZXMJXIIJEZOH-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO CCC1(CC)C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCS1 ZINC000602615541 347104523 /nfs/dbraw/zinc/10/45/23/347104523.db2.gz FDZFLZXQYUJMBK-UHFFFAOYSA-N 1 0 298.412 2.436 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000601229664 346796055 /nfs/dbraw/zinc/79/60/55/346796055.db2.gz XBILMGKIHOABBH-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(=O)[nH]c1 ZINC000602649047 347123042 /nfs/dbraw/zinc/12/30/42/347123042.db2.gz GRQAEBUDYNYTPI-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO CCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)COC1 ZINC000602681518 347141568 /nfs/dbraw/zinc/14/15/68/347141568.db2.gz BACHTIUUGYMHIJ-UHFFFAOYSA-N 1 0 291.307 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000602691491 347150163 /nfs/dbraw/zinc/15/01/63/347150163.db2.gz CXPAJGJCSYHSJI-KGLIPLIRSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1cccs1 ZINC000602780043 347195517 /nfs/dbraw/zinc/19/55/17/347195517.db2.gz DRDDLJNFHZJJLT-UHFFFAOYSA-N 1 0 294.380 2.336 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1nccs1 ZINC000602791096 347199618 /nfs/dbraw/zinc/19/96/18/347199618.db2.gz QYNKNIMVOICPKP-UHFFFAOYSA-N 1 0 295.368 2.081 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733894 347177662 /nfs/dbraw/zinc/17/76/62/347177662.db2.gz XHBLFHBDZAPRDB-JTNHKYCSSA-N 1 0 264.325 2.048 20 5 CEBDRO Cc1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750796 347185175 /nfs/dbraw/zinc/18/51/75/347185175.db2.gz CTQLQMHMOJCOLB-MRXNPFEDSA-N 1 0 289.379 2.429 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000602752774 347186044 /nfs/dbraw/zinc/18/60/44/347186044.db2.gz UJMSLOVXUOKAEL-HNNXBMFYSA-N 1 0 275.352 2.121 20 5 CEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823559 347213779 /nfs/dbraw/zinc/21/37/79/347213779.db2.gz VNNPDFHGCMTWHC-NEPJUHHUSA-N 1 0 266.345 2.268 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000602844665 347221513 /nfs/dbraw/zinc/22/15/13/347221513.db2.gz FTAVFLGSIPHYJY-GARJFASQSA-N 1 0 266.345 2.076 20 5 CEBDRO CC(C)(C)OCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962101 347257638 /nfs/dbraw/zinc/25/76/38/347257638.db2.gz GWLUBJDDASTKSX-HNNXBMFYSA-N 1 0 296.367 2.207 20 5 CEBDRO CC[C@](C)([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186562 347303324 /nfs/dbraw/zinc/30/33/24/347303324.db2.gz SLOXJVWTBRNJRQ-HZMBPMFUSA-N 1 0 289.339 2.380 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205480 347309446 /nfs/dbraw/zinc/30/94/46/347309446.db2.gz CUDHCDRQOQJZNX-LLVKDONJSA-N 1 0 295.368 2.342 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249318 347321383 /nfs/dbraw/zinc/32/13/83/347321383.db2.gz GQOAILACKKIEDE-QWRGUYRKSA-N 1 0 289.339 2.384 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1(C)C ZINC000603405467 347360800 /nfs/dbraw/zinc/36/08/00/347360800.db2.gz IXBWMPKDXJMXEU-MNOVXSKESA-N 1 0 282.319 2.270 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000603406446 347361628 /nfs/dbraw/zinc/36/16/28/347361628.db2.gz LVCYYZBDRNUWEW-WDEREUQCSA-N 1 0 264.329 2.130 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000603407448 347361702 /nfs/dbraw/zinc/36/17/02/347361702.db2.gz TUNRBERGXYDCAP-RKDXNWHRSA-N 1 0 295.368 2.199 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000304299391 232674761 /nfs/dbraw/zinc/67/47/61/232674761.db2.gz HWVDSJMLBVZLIL-ZDSVCRJJSA-N 1 0 276.336 2.359 20 5 CEBDRO CCCC[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534411 362833274 /nfs/dbraw/zinc/83/32/74/362833274.db2.gz YVZPTJXDSMHWIH-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1ncc[nH]1 ZINC000610150871 347661868 /nfs/dbraw/zinc/66/18/68/347661868.db2.gz CQYJZESYPAIIQN-UHFFFAOYSA-N 1 0 276.296 2.006 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000336836021 365906119 /nfs/dbraw/zinc/90/61/19/365906119.db2.gz KERXBWJGISUQQE-SECBINFHSA-N 1 0 281.360 2.014 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ncc1[N+](=O)[O-] ZINC000610430894 347681285 /nfs/dbraw/zinc/68/12/85/347681285.db2.gz RKYNJXKCURDTDC-LBPRGKRZSA-N 1 0 278.356 2.265 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000610473543 347683419 /nfs/dbraw/zinc/68/34/19/347683419.db2.gz BGVULHODOOZUKX-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000610687062 347703375 /nfs/dbraw/zinc/70/33/75/347703375.db2.gz RDEBKWCPFYDSFR-LBPRGKRZSA-N 1 0 278.356 2.380 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610831063 347717197 /nfs/dbraw/zinc/71/71/97/347717197.db2.gz HDIWFMRZRNPBIV-NSHDSACASA-N 1 0 277.324 2.312 20 5 CEBDRO CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611370866 347770349 /nfs/dbraw/zinc/77/03/49/347770349.db2.gz ZUQQJHQGQDERJA-ZJUUUORDSA-N 1 0 287.410 2.138 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611091922 347739048 /nfs/dbraw/zinc/73/90/48/347739048.db2.gz CWHUZJSRKYVTBG-LBPRGKRZSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000611207263 347751931 /nfs/dbraw/zinc/75/19/31/347751931.db2.gz UTFYSCWGDZTCIW-QMTHXVAHSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(F)c1 ZINC000611498300 347786564 /nfs/dbraw/zinc/78/65/64/347786564.db2.gz XIDZYTUUCJJQFK-KLPPZKSPSA-N 1 0 282.315 2.375 20 5 CEBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000351890427 219239118 /nfs/dbraw/zinc/23/91/18/219239118.db2.gz UNDJYANPAANCAX-CQSZACIVSA-N 1 0 293.367 2.378 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339388292 215139073 /nfs/dbraw/zinc/13/90/73/215139073.db2.gz VADSWRNUKIOQFX-NSHDSACASA-N 1 0 291.311 2.394 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000351937669 219254992 /nfs/dbraw/zinc/25/49/92/219254992.db2.gz UWQCHIFUCAAXPN-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087027622 179381836 /nfs/dbraw/zinc/38/18/36/179381836.db2.gz UQXVQWVIMYSFFY-UHFFFAOYSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000087027915 179381901 /nfs/dbraw/zinc/38/19/01/179381901.db2.gz AXUXVXBPUGMCEO-CYBMUJFWSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000087009748 179378434 /nfs/dbraw/zinc/37/84/34/179378434.db2.gz ITLFXFDXXNREOX-JTQLQIEISA-N 1 0 252.314 2.325 20 5 CEBDRO COc1cc(C[N@H+](C)CC2CC2)ccc1[N+](=O)[O-] ZINC000351970925 219271562 /nfs/dbraw/zinc/27/15/62/219271562.db2.gz MCMRDWQOMHRPOH-UHFFFAOYSA-N 1 0 250.298 2.445 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000339619722 215272161 /nfs/dbraw/zinc/27/21/61/215272161.db2.gz XNPRMPBWXRAPPN-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825237 539731228 /nfs/dbraw/zinc/73/12/28/539731228.db2.gz AHYOZPFHQURLRZ-MFKMUULPSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551201 180002455 /nfs/dbraw/zinc/00/24/55/180002455.db2.gz XICIHHAMAOTMNK-OAHLLOKOSA-N 1 0 293.367 2.269 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000091437130 180155244 /nfs/dbraw/zinc/15/52/44/180155244.db2.gz VWNHWMWFXYEZRH-SNVBAGLBSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101315 233339630 /nfs/dbraw/zinc/33/96/30/233339630.db2.gz YQNUUWZCTSSGJB-JQWIXIFHSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000105328139 186052574 /nfs/dbraw/zinc/05/25/74/186052574.db2.gz ZHZOECDUGDPTHZ-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000271367425 191100354 /nfs/dbraw/zinc/10/03/54/191100354.db2.gz ORSXJZWUNWGMMI-ZDUSSCGKSA-N 1 0 292.335 2.227 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868266 186143816 /nfs/dbraw/zinc/14/38/16/186143816.db2.gz NZBPTKGHGVTEDE-UONOGXRCSA-N 1 0 275.352 2.311 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)CC ZINC000106449004 186117483 /nfs/dbraw/zinc/11/74/83/186117483.db2.gz CCNDYMMKFJMZCL-AWEZNQCLSA-N 1 0 282.340 2.244 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000106865389 186143449 /nfs/dbraw/zinc/14/34/49/186143449.db2.gz OIURQITXYLLJOH-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO CCOCC[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000107679971 186185543 /nfs/dbraw/zinc/18/55/43/186185543.db2.gz CREGVJJQCKRYPK-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO CCCc1[nH]nc(C(=O)Nc2ccnc(C)c2)c1[N+](=O)[O-] ZINC000109363879 186250840 /nfs/dbraw/zinc/25/08/40/186250840.db2.gz GKYOOMHICZRUGT-UHFFFAOYSA-N 1 0 289.295 2.226 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804616 186273359 /nfs/dbraw/zinc/27/33/59/186273359.db2.gz VPRFPPCVDZPARI-AWEZNQCLSA-N 1 0 263.341 2.121 20 5 CEBDRO CCOc1cc(OC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111054818 186349039 /nfs/dbraw/zinc/34/90/39/186349039.db2.gz UBKUORQEYQYRMM-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000111158850 186362492 /nfs/dbraw/zinc/36/24/92/186362492.db2.gz QAMUOJPUELMNER-UHFFFAOYSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1c(C[N@H+](C)CCn2cccn2)cccc1[N+](=O)[O-] ZINC000111279684 186388372 /nfs/dbraw/zinc/38/83/72/186388372.db2.gz XOGVMGWADKPVNP-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070196123 363053221 /nfs/dbraw/zinc/05/32/21/363053221.db2.gz UGHZFGXBKZEPQR-AWEZNQCLSA-N 1 0 283.331 2.485 20 5 CEBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000131223168 366032161 /nfs/dbraw/zinc/03/21/61/366032161.db2.gz UVFGHIBUXGZZSI-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccnc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000070496183 363091597 /nfs/dbraw/zinc/09/15/97/363091597.db2.gz VPWNSAFUYUVLJA-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1ccnc(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000070496194 363091618 /nfs/dbraw/zinc/09/16/18/363091618.db2.gz BKJDWBPTERZWNS-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@H](C)C[NH+](C)C ZINC000291722860 198070243 /nfs/dbraw/zinc/07/02/43/198070243.db2.gz MVYXEANQKAEAQC-NSHDSACASA-N 1 0 265.357 2.191 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122909626 187058914 /nfs/dbraw/zinc/05/89/14/187058914.db2.gz RTPZKLCHXLNZHA-NEPJUHHUSA-N 1 0 291.351 2.150 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123866996 187112430 /nfs/dbraw/zinc/11/24/30/187112430.db2.gz MQWJYMZRWZIPHX-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132742118 187645445 /nfs/dbraw/zinc/64/54/45/187645445.db2.gz WNQUQOFDXZZSBB-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000073000315 363191355 /nfs/dbraw/zinc/19/13/55/363191355.db2.gz CDBRUIFNZYXITQ-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000295160302 199379353 /nfs/dbraw/zinc/37/93/53/199379353.db2.gz KNAGPMISNVTFKL-UHIISALHSA-N 1 0 264.325 2.293 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000155431746 188205971 /nfs/dbraw/zinc/20/59/71/188205971.db2.gz FQAOHORQGIQTBX-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]1OCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000156163119 188245881 /nfs/dbraw/zinc/24/58/81/188245881.db2.gz ZYDFNDOPJBJTHO-QWHCGFSZSA-N 1 0 294.351 2.473 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569728444 299215155 /nfs/dbraw/zinc/21/51/55/299215155.db2.gz NGDUDZWQUPTCMV-VHSXEESVSA-N 1 0 279.340 2.013 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000133432014 366223946 /nfs/dbraw/zinc/22/39/46/366223946.db2.gz WDKDBOOHZZPPLZ-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000271750269 191304467 /nfs/dbraw/zinc/30/44/67/191304467.db2.gz KKIBFRYDGLFOEG-SECBINFHSA-N 1 0 296.277 2.420 20 5 CEBDRO Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133488898 366229638 /nfs/dbraw/zinc/22/96/38/366229638.db2.gz IHYWTKCJKWQZSW-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000174668375 188912693 /nfs/dbraw/zinc/91/26/93/188912693.db2.gz SXWYOKPHJYVSCA-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273664260 192251572 /nfs/dbraw/zinc/25/15/72/192251572.db2.gz WOGYJVJNKIGMEL-UHFFFAOYSA-N 1 0 281.360 2.309 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000414659870 236436245 /nfs/dbraw/zinc/43/62/45/236436245.db2.gz NMFFJMWJDVYAOA-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO C[S@](=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865536 366408676 /nfs/dbraw/zinc/40/86/76/366408676.db2.gz FAMHXAAAYHTZTK-YUNKPMOVSA-N 1 0 294.376 2.083 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463173 366441859 /nfs/dbraw/zinc/44/18/59/366441859.db2.gz QGBPIXAGUOLSJH-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000135461261 366442464 /nfs/dbraw/zinc/44/24/64/366442464.db2.gz SMSSPGUNVIYROR-JTQLQIEISA-N 1 0 250.298 2.160 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000294899014 199238287 /nfs/dbraw/zinc/23/82/87/199238287.db2.gz XCTHRPSMXNTGPG-NSHDSACASA-N 1 0 282.340 2.102 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415499183 236676370 /nfs/dbraw/zinc/67/63/70/236676370.db2.gz JSQCNMQQRGNTGK-MNOVXSKESA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415507675 236676949 /nfs/dbraw/zinc/67/69/49/236676949.db2.gz TUXFFGKZLXZULO-JTQLQIEISA-N 1 0 280.328 2.152 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000418118143 237292265 /nfs/dbraw/zinc/29/22/65/237292265.db2.gz SLBCNEAARNZZJE-WFEYYVJBSA-N 1 0 262.309 2.111 20 5 CEBDRO CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000140477173 366559758 /nfs/dbraw/zinc/55/97/58/366559758.db2.gz OOZTWGBUMGHIQG-GFCCVEGCSA-N 1 0 288.307 2.128 20 5 CEBDRO C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000148521076 366583078 /nfs/dbraw/zinc/58/30/78/366583078.db2.gz PDJPFPCOFAYKKU-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000339002147 366609126 /nfs/dbraw/zinc/60/91/26/366609126.db2.gz IDXPJBNBGZWVJE-MNOVXSKESA-N 1 0 295.387 2.312 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298290007 200385095 /nfs/dbraw/zinc/38/50/95/200385095.db2.gz HGNXTLUIVPINHI-CQSZACIVSA-N 1 0 294.351 2.207 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2=CCCOC2)cc1 ZINC000176835280 189010994 /nfs/dbraw/zinc/01/09/94/189010994.db2.gz DOIWHHGEPAIMJY-UHFFFAOYSA-N 1 0 262.309 2.074 20 5 CEBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000081275296 363709256 /nfs/dbraw/zinc/70/92/56/363709256.db2.gz KQCARJGDLVDMEV-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177054236 189025086 /nfs/dbraw/zinc/02/50/86/189025086.db2.gz CWSMXOBMZDXFFD-KOLCDFICSA-N 1 0 297.380 2.115 20 5 CEBDRO O=[N+]([O-])c1ccc2ncnc(NCC[NH+]3CCCC3)c2c1 ZINC000081589893 363733018 /nfs/dbraw/zinc/73/30/18/363733018.db2.gz PAHNLTFRCMQIGS-UHFFFAOYSA-N 1 0 287.323 2.046 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152040575 366682942 /nfs/dbraw/zinc/68/29/42/366682942.db2.gz JCFITYOYJRVLMB-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)C(C)C ZINC000353091833 219859340 /nfs/dbraw/zinc/85/93/40/219859340.db2.gz IQJRFCXKPKMGON-CQSZACIVSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571523799 299313739 /nfs/dbraw/zinc/31/37/39/299313739.db2.gz OSBQTFXPGSGMHD-QWRGUYRKSA-N 1 0 294.355 2.459 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000179124005 189171476 /nfs/dbraw/zinc/17/14/76/189171476.db2.gz WHSXYOAYIPZNOX-LBPRGKRZSA-N 1 0 278.308 2.122 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446559 189255800 /nfs/dbraw/zinc/25/58/00/189255800.db2.gz OBICHUPJTQZZFM-QWRGUYRKSA-N 1 0 278.308 2.199 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c1 ZINC000342251915 216277932 /nfs/dbraw/zinc/27/79/32/216277932.db2.gz RBJZSBDTWOXWSR-GXTWGEPZSA-N 1 0 278.352 2.483 20 5 CEBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301686369 201137522 /nfs/dbraw/zinc/13/75/22/201137522.db2.gz XCPIVTIEQAOODC-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO O=[N+]([O-])c1ccccc1CNCCC[NH+]1CCCC1 ZINC000020129167 361582339 /nfs/dbraw/zinc/58/23/39/361582339.db2.gz GXDICZMJMDZXCQ-UHFFFAOYSA-N 1 0 263.341 2.170 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185369729 189411889 /nfs/dbraw/zinc/41/18/89/189411889.db2.gz ZNJFQGRUKHIIBN-OAHLLOKOSA-N 1 0 280.368 2.476 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000090517759 364060589 /nfs/dbraw/zinc/06/05/89/364060589.db2.gz BQBKKATWVPFLLW-ZHYXMNDGSA-N 1 0 284.381 2.403 20 5 CEBDRO CCOc1cc(NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000092623045 364089510 /nfs/dbraw/zinc/08/95/10/364089510.db2.gz BINFJVAINFJLLT-GFCCVEGCSA-N 1 0 279.340 2.500 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000237841936 370754677 /nfs/dbraw/zinc/75/46/77/370754677.db2.gz CXAOXJQPCFDQLU-UHFFFAOYSA-N 1 0 291.351 2.376 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000093989885 364244935 /nfs/dbraw/zinc/24/49/35/364244935.db2.gz FKXBVOUBYCADQD-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@H]1CCC[NH2+]1)CCCC2 ZINC000581944198 366838312 /nfs/dbraw/zinc/83/83/12/366838312.db2.gz VRCOUUIWGOAODM-GFCCVEGCSA-N 1 0 290.367 2.423 20 5 CEBDRO Cc1cccc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000098093403 364530569 /nfs/dbraw/zinc/53/05/69/364530569.db2.gz WJUGDVGWEHIVIO-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112379448 364803010 /nfs/dbraw/zinc/80/30/10/364803010.db2.gz WINXGDGIGCXMPU-FZMZJTMJSA-N 1 0 266.341 2.482 20 5 CEBDRO COC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112985454 364863057 /nfs/dbraw/zinc/86/30/57/364863057.db2.gz DHRSXDAMUVYXNW-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000115443956 365005445 /nfs/dbraw/zinc/00/54/45/365005445.db2.gz QIRQIJZYLZAGGS-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119019082 365201248 /nfs/dbraw/zinc/20/12/48/365201248.db2.gz ALNQUDWNOJKBPY-WFASDCNBSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418201 366878921 /nfs/dbraw/zinc/87/89/21/366878921.db2.gz UCQUBAZFAHGJFV-RWMBFGLXSA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000120736593 365468095 /nfs/dbraw/zinc/46/80/95/365468095.db2.gz NBNGMBGDEJZNCC-ZJUUUORDSA-N 1 0 297.380 2.069 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797295 365477297 /nfs/dbraw/zinc/47/72/97/365477297.db2.gz ZJUQJEDSURWMRW-CHWSQXEVSA-N 1 0 279.340 2.290 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340680075 366983407 /nfs/dbraw/zinc/98/34/07/366983407.db2.gz HVBMOHWLRSZCHK-GXTWGEPZSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1nc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000161543587 367095251 /nfs/dbraw/zinc/09/52/51/367095251.db2.gz CNVSVTRHOGBQHW-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000357980858 370859415 /nfs/dbraw/zinc/85/94/15/370859415.db2.gz VYURFSVEACTNJO-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@@H]1OCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572438967 299368214 /nfs/dbraw/zinc/36/82/14/299368214.db2.gz FKKQTGTUFIVVFO-HZMBPMFUSA-N 1 0 289.335 2.386 20 5 CEBDRO C[C@H]1OCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572438970 299368309 /nfs/dbraw/zinc/36/83/09/299368309.db2.gz FKKQTGTUFIVVFO-YGRLFVJLSA-N 1 0 289.335 2.386 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342559015 367421157 /nfs/dbraw/zinc/42/11/57/367421157.db2.gz FAPFSEIICQCNEH-AWEZNQCLSA-N 1 0 291.351 2.085 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505516 367764465 /nfs/dbraw/zinc/76/44/65/367764465.db2.gz SAILHCPCOUDWEP-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000245900852 370884343 /nfs/dbraw/zinc/88/43/43/370884343.db2.gz PZLDMEGLQJHHOJ-UONOGXRCSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@H]1CSCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000172594269 367784340 /nfs/dbraw/zinc/78/43/40/367784340.db2.gz VLJNHXJLEUZSIR-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343451049 367822195 /nfs/dbraw/zinc/82/21/95/367822195.db2.gz NTUONWMZYJCZRP-FZMZJTMJSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1nc(N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343588296 367901924 /nfs/dbraw/zinc/90/19/24/367901924.db2.gz FWKZEOIIKIBOPP-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO COc1cc(C[NH2+]CC(C)(C)OC)c([N+](=O)[O-])cc1OC ZINC000174596064 368044831 /nfs/dbraw/zinc/04/48/31/368044831.db2.gz JGPHUBIJFZRMDU-UHFFFAOYSA-N 1 0 298.339 2.127 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181547072 368469259 /nfs/dbraw/zinc/46/92/59/368469259.db2.gz FSZJSBIJGOHTOU-CQSZACIVSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182031336 368516892 /nfs/dbraw/zinc/51/68/92/368516892.db2.gz VMFYLHJGEPTYKD-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000348259785 368973017 /nfs/dbraw/zinc/97/30/17/368973017.db2.gz AZECCGCOVLZSMS-ZFWWWQNUSA-N 1 0 286.335 2.185 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186740792 369032293 /nfs/dbraw/zinc/03/22/93/369032293.db2.gz CRYVNCUGZLSWCF-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348543104 369079944 /nfs/dbraw/zinc/07/99/44/369079944.db2.gz FSXLXOAMSBEAPH-JSGCOSHPSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1sc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000276075211 193206581 /nfs/dbraw/zinc/20/65/81/193206581.db2.gz WPIZUTVERORLBE-UHFFFAOYSA-N 1 0 297.380 2.179 20 5 CEBDRO C[N@@H+]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000349737543 369382728 /nfs/dbraw/zinc/38/27/28/369382728.db2.gz HZVURYMVUSDKNF-JTQLQIEISA-N 1 0 274.280 2.064 20 5 CEBDRO COCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349804685 369405674 /nfs/dbraw/zinc/40/56/74/369405674.db2.gz QNRBDDCEPLXACS-ALCCZGGFSA-N 1 0 250.298 2.186 20 5 CEBDRO CC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516885 370972581 /nfs/dbraw/zinc/97/25/81/370972581.db2.gz UJSUACSTYSRIIE-GXTWGEPZSA-N 1 0 277.368 2.415 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410102 369512409 /nfs/dbraw/zinc/51/24/09/369512409.db2.gz NCCIAVGUKCGMDT-NEPJUHHUSA-N 1 0 293.367 2.421 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276369310 193303288 /nfs/dbraw/zinc/30/32/88/193303288.db2.gz CKNPZFCYJJTQBJ-UHFFFAOYSA-N 1 0 294.355 2.331 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000276387150 193310449 /nfs/dbraw/zinc/31/04/49/193310449.db2.gz PEAJWLLBPALFIY-UHFFFAOYSA-N 1 0 299.396 2.460 20 5 CEBDRO Cn1cncc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352447333 369735796 /nfs/dbraw/zinc/73/57/96/369735796.db2.gz KNJRIBDIMPAKJP-XQRVVYSFSA-N 1 0 272.308 2.131 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1O ZINC000352668216 369826839 /nfs/dbraw/zinc/82/68/39/369826839.db2.gz QKSLOLZHGWLCRT-QWHCGFSZSA-N 1 0 268.288 2.079 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000192252040 369786462 /nfs/dbraw/zinc/78/64/62/369786462.db2.gz SXZAQBBNUVVIBW-UHFFFAOYSA-N 1 0 280.324 2.146 20 5 CEBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000193375699 369934231 /nfs/dbraw/zinc/93/42/31/369934231.db2.gz HNFYBSJTJRXAOZ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000352896485 369939694 /nfs/dbraw/zinc/93/96/94/369939694.db2.gz XRPXCICUNIQYSR-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC000353096573 370016931 /nfs/dbraw/zinc/01/69/31/370016931.db2.gz YZFNMGKYRQAWRB-UHFFFAOYSA-N 1 0 267.310 2.285 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353034688 369993847 /nfs/dbraw/zinc/99/38/47/369993847.db2.gz AVYJUURFECNEOW-WDEREUQCSA-N 1 0 282.315 2.496 20 5 CEBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+](C)C1CC1 ZINC000220151053 370231161 /nfs/dbraw/zinc/23/11/61/370231161.db2.gz OUKOGCXGXKEXTI-SECBINFHSA-N 1 0 289.339 2.366 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225815347 370321230 /nfs/dbraw/zinc/32/12/30/370321230.db2.gz LYDFAOCMCYDHKP-CQSZACIVSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000224529160 370279338 /nfs/dbraw/zinc/27/93/38/370279338.db2.gz IVMBMRPZUHBFLJ-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[N@H+](CCCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000227113341 370359706 /nfs/dbraw/zinc/35/97/06/370359706.db2.gz KDQIOQSYFFDHHB-UHFFFAOYSA-N 1 0 266.341 2.232 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(NCCn2ccnc2)c(F)c1 ZINC000227887588 370388057 /nfs/dbraw/zinc/38/80/57/370388057.db2.gz RZJKIDOQBBHRHN-UHFFFAOYSA-N 1 0 268.223 2.182 20 5 CEBDRO C[C@H](O)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227953087 370388921 /nfs/dbraw/zinc/38/89/21/370388921.db2.gz TYIVLCUITJUKGG-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000354352935 370328372 /nfs/dbraw/zinc/32/83/72/370328372.db2.gz KCZIRUQLBMTKHL-RYUDHWBXSA-N 1 0 278.356 2.299 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000228593075 370407397 /nfs/dbraw/zinc/40/73/97/370407397.db2.gz DMOLBLVEXZXUTJ-YPMHNXCESA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230159974 370442916 /nfs/dbraw/zinc/44/29/16/370442916.db2.gz ALLZBTKPQSJEHF-SECBINFHSA-N 1 0 258.343 2.155 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884742 370497102 /nfs/dbraw/zinc/49/71/02/370497102.db2.gz ULFZLAURGYDQFL-WDEREUQCSA-N 1 0 252.314 2.416 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321134 371013557 /nfs/dbraw/zinc/01/35/57/371013557.db2.gz QQPAKLOURNRPBF-CMPLNLGQSA-N 1 0 284.381 2.359 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000358346568 371026538 /nfs/dbraw/zinc/02/65/38/371026538.db2.gz RONZWEMEUSGPIF-LBPRGKRZSA-N 1 0 293.367 2.350 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742141 284250615 /nfs/dbraw/zinc/25/06/15/284250615.db2.gz NXZHZWBGGJJTSN-MNOVXSKESA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248967705 371276615 /nfs/dbraw/zinc/27/66/15/371276615.db2.gz SAPGAQLKTFKBST-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000359040077 371313718 /nfs/dbraw/zinc/31/37/18/371313718.db2.gz HSZAGSACPMOLAI-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000359048945 371317422 /nfs/dbraw/zinc/31/74/22/371317422.db2.gz BFKMKARPUAAPAO-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250137208 371379135 /nfs/dbraw/zinc/37/91/35/371379135.db2.gz YIIWNQFWUKZHAE-YWPYICTPSA-N 1 0 292.335 2.261 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1ncc[nH]1 ZINC000360909102 371540496 /nfs/dbraw/zinc/54/04/96/371540496.db2.gz CHUKOYXGUWGWBI-UHFFFAOYSA-N 1 0 274.280 2.157 20 5 CEBDRO CC(C)NC(=O)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254975095 371544053 /nfs/dbraw/zinc/54/40/53/371544053.db2.gz NXZDUTOTSZKBGA-VURMDHGXSA-N 1 0 291.351 2.064 20 5 CEBDRO COC(=O)CN(C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000254974316 371545215 /nfs/dbraw/zinc/54/52/15/371545215.db2.gz HSLHOCZNPXASKZ-VURMDHGXSA-N 1 0 292.335 2.491 20 5 CEBDRO C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261571192 371653478 /nfs/dbraw/zinc/65/34/78/371653478.db2.gz QNHBTMKLAMNLSF-RISCZKNCSA-N 1 0 263.341 2.154 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000261743264 371718558 /nfs/dbraw/zinc/71/85/58/371718558.db2.gz SIBBNBMQVSJIGB-VZJVUDMVSA-N 1 0 293.342 2.293 20 5 CEBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361228727 371726093 /nfs/dbraw/zinc/72/60/93/371726093.db2.gz NMNJJCAEKRTFKD-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361239659 371733251 /nfs/dbraw/zinc/73/32/51/371733251.db2.gz WUSPXAWWZJNPGU-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361650943 372002594 /nfs/dbraw/zinc/00/25/94/372002594.db2.gz CFKVSXQMGWTBQP-UDGJJRABSA-N 1 0 276.336 2.168 20 5 CEBDRO Cc1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265158656 372016246 /nfs/dbraw/zinc/01/62/46/372016246.db2.gz DIOMNHFBZATAJK-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174523 217084866 /nfs/dbraw/zinc/08/48/66/217084866.db2.gz QQRBKHIALACVOM-TZMCWYRMSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174522 217085734 /nfs/dbraw/zinc/08/57/34/217085734.db2.gz QQRBKHIALACVOM-OCCSQVGLSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205623 217098029 /nfs/dbraw/zinc/09/80/29/217098029.db2.gz DGGJBFOLHZOAQQ-RISCZKNCSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362091609 372215515 /nfs/dbraw/zinc/21/55/15/372215515.db2.gz WHRBPZIUFGEMKD-NQBHXWOUSA-N 1 0 264.325 2.216 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268740634 372204365 /nfs/dbraw/zinc/20/43/65/372204365.db2.gz XWJUVNCNUYMUSN-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269391790 372437861 /nfs/dbraw/zinc/43/78/61/372437861.db2.gz SIOPILXCRPMGNU-SECBINFHSA-N 1 0 284.747 2.031 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729990 372550309 /nfs/dbraw/zinc/55/03/09/372550309.db2.gz XMMMYLUMMSJDNP-RISCZKNCSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000269922647 372599889 /nfs/dbraw/zinc/59/98/89/372599889.db2.gz LGQWZWWRULFTNF-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344573927 217235452 /nfs/dbraw/zinc/23/54/52/217235452.db2.gz DICSUEZLHLWQED-AAEUAGOBSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1F ZINC000365285672 372819359 /nfs/dbraw/zinc/81/93/59/372819359.db2.gz ABMNOVPIYPXIGF-CQSZACIVSA-N 1 0 280.299 2.346 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000289842367 197503377 /nfs/dbraw/zinc/50/33/77/197503377.db2.gz NIXVPEFRLYUVGA-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CO ZINC000344818126 217321099 /nfs/dbraw/zinc/32/10/99/217321099.db2.gz FDIARWOKQMPAFA-HUMZTAOYSA-N 1 0 264.325 2.216 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000271009978 373062992 /nfs/dbraw/zinc/06/29/92/373062992.db2.gz HQTMRVIRWGCSEJ-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO COC[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000344798161 217313498 /nfs/dbraw/zinc/31/34/98/217313498.db2.gz RIOWJNAEQKEPPG-CUXKMMBLSA-N 1 0 294.351 2.249 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000272536976 373540389 /nfs/dbraw/zinc/54/03/89/373540389.db2.gz PPTJPFGQOSXSKR-LLVKDONJSA-N 1 0 278.356 2.156 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000370044794 373564521 /nfs/dbraw/zinc/56/45/21/373564521.db2.gz HUCJUWIBDKMSGI-ZDUSSCGKSA-N 1 0 286.335 2.318 20 5 CEBDRO Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370183564 373600614 /nfs/dbraw/zinc/60/06/14/373600614.db2.gz LESXMLQHYYLNRI-NSHDSACASA-N 1 0 264.325 2.372 20 5 CEBDRO CCC[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272954273 373730806 /nfs/dbraw/zinc/73/08/06/373730806.db2.gz QLNFQRWEVPGHOU-STQMWFEESA-N 1 0 296.367 2.455 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272966784 373738071 /nfs/dbraw/zinc/73/80/71/373738071.db2.gz AURYRDPGPKIVSE-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276853987 374325663 /nfs/dbraw/zinc/32/56/63/374325663.db2.gz JKDJISQZIWNGIL-LEWSCRJBSA-N 1 0 280.324 2.001 20 5 CEBDRO C[C@@H]1COCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000374334920 374543122 /nfs/dbraw/zinc/54/31/22/374543122.db2.gz XYDHWFPZSKWOJF-NSHDSACASA-N 1 0 250.298 2.063 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374412065 374567160 /nfs/dbraw/zinc/56/71/60/374567160.db2.gz PPGXYOVQXACGCC-OCCSQVGLSA-N 1 0 276.336 2.453 20 5 CEBDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278464953 374825993 /nfs/dbraw/zinc/82/59/93/374825993.db2.gz NACRVSPUAQZMSU-VCANKDNSSA-N 1 0 294.351 2.175 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278271878 374766344 /nfs/dbraw/zinc/76/63/44/374766344.db2.gz FKZPZXXAHTWWBU-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279731785 374968551 /nfs/dbraw/zinc/96/85/51/374968551.db2.gz JRGDCPLPIKKQGO-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CCC2)cs1 ZINC000279776777 374982397 /nfs/dbraw/zinc/98/23/97/374982397.db2.gz KYLYIVPDWWUTBJ-LLVKDONJSA-N 1 0 270.354 2.297 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762225 375244099 /nfs/dbraw/zinc/24/40/99/375244099.db2.gz XVKSEZWEVGSOQY-RISCZKNCSA-N 1 0 282.315 2.327 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000382485738 375187876 /nfs/dbraw/zinc/18/78/76/375187876.db2.gz ZIZRXAKOHSVJQN-JGVFFNPUSA-N 1 0 270.720 2.325 20 5 CEBDRO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386129304 375253214 /nfs/dbraw/zinc/25/32/14/375253214.db2.gz OGZSUTBPDFHFKR-SWLSCSKDSA-N 1 0 277.368 2.258 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384625931 375213255 /nfs/dbraw/zinc/21/32/55/375213255.db2.gz MMCQCVZYPHUTLA-HJWRWDBZSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000388796342 375294578 /nfs/dbraw/zinc/29/45/78/375294578.db2.gz SNMPCSZCLXPRIS-DRZSPHRISA-N 1 0 261.325 2.077 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000282343513 375461266 /nfs/dbraw/zinc/46/12/66/375461266.db2.gz WDHRBDTXHZVINT-UHFFFAOYSA-N 1 0 290.367 2.463 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000387496372 321878886 /nfs/dbraw/zinc/87/88/86/321878886.db2.gz XBCQCDPMUQAYOU-JQWIXIFHSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261703326 296234268 /nfs/dbraw/zinc/23/42/68/296234268.db2.gz IQZDYAYORROQRM-WFASDCNBSA-N 1 0 275.352 2.341 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000412998248 375773762 /nfs/dbraw/zinc/77/37/62/375773762.db2.gz YDJRXPRHAWZOQB-LBPRGKRZSA-N 1 0 266.345 2.363 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(O)CCC2)cs1 ZINC000284090261 375806753 /nfs/dbraw/zinc/80/67/53/375806753.db2.gz ROPUKUJLIALDGP-UHFFFAOYSA-N 1 0 256.327 2.051 20 5 CEBDRO Cc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000414654602 375903238 /nfs/dbraw/zinc/90/32/38/375903238.db2.gz GHCMYFABIYLYIT-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO C[C@]1(F)C[NH2+]CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414770809 375959679 /nfs/dbraw/zinc/95/96/79/375959679.db2.gz PLKYYVCSHQVGFL-DRDHIDPGSA-N 1 0 293.342 2.241 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000263793824 190079149 /nfs/dbraw/zinc/07/91/49/190079149.db2.gz RGMWLOONWBUIEH-NEPJUHHUSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000263806655 190079818 /nfs/dbraw/zinc/07/98/18/190079818.db2.gz WGTHMNLIZGWSDD-GXFFZTMASA-N 1 0 250.298 2.113 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000289921064 376559041 /nfs/dbraw/zinc/55/90/41/376559041.db2.gz VSPRCFYZFBKJLL-JTQLQIEISA-N 1 0 294.355 2.229 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423430 190108947 /nfs/dbraw/zinc/10/89/47/190108947.db2.gz MVNUBCTWJBQNBM-DOMZBBRYSA-N 1 0 294.351 2.209 20 5 CEBDRO [NH3+]CCCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420230901 376638696 /nfs/dbraw/zinc/63/86/96/376638696.db2.gz JCNQKBKJXDTGKL-UHFFFAOYSA-N 1 0 260.297 2.294 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000290215960 376689844 /nfs/dbraw/zinc/68/98/44/376689844.db2.gz QKGRVCDLTOTULO-RDBSUJKOSA-N 1 0 280.324 2.049 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC000312981815 376734599 /nfs/dbraw/zinc/73/45/99/376734599.db2.gz WQEZRSFOLBEJJP-SNVBAGLBSA-N 1 0 283.376 2.260 20 5 CEBDRO Cc1c(C[NH2+]Cc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000319267107 376816093 /nfs/dbraw/zinc/81/60/93/376816093.db2.gz WVNYDDDZGGYQPO-UHFFFAOYSA-N 1 0 299.330 2.292 20 5 CEBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000290646561 376865204 /nfs/dbraw/zinc/86/52/04/376865204.db2.gz IJTDKJIBSGBUGQ-SECBINFHSA-N 1 0 293.327 2.272 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423278449 377205086 /nfs/dbraw/zinc/20/50/86/377205086.db2.gz PZJDPWXVOSHVJG-IINYFYTJSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331101068 377280694 /nfs/dbraw/zinc/28/06/94/377280694.db2.gz DDEKEQPQZKGUMG-OUAUKWLOSA-N 1 0 266.345 2.243 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000331135121 377295789 /nfs/dbraw/zinc/29/57/89/377295789.db2.gz IAHQLYFMVBUTQE-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154014 377304876 /nfs/dbraw/zinc/30/48/76/377304876.db2.gz IZXGOXRLXKSJNI-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264945367 190146471 /nfs/dbraw/zinc/14/64/71/190146471.db2.gz WXXQJHIOBKYULQ-JXMROGBWSA-N 1 0 291.351 2.066 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000293013016 377393605 /nfs/dbraw/zinc/39/36/05/377393605.db2.gz ODVRZEXEAOOEMN-ZDUSSCGKSA-N 1 0 282.340 2.243 20 5 CEBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292926739 377353817 /nfs/dbraw/zinc/35/38/17/377353817.db2.gz GRAGYPMQYLFNHS-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293235030 377484779 /nfs/dbraw/zinc/48/47/79/377484779.db2.gz ZKQZHFCEUCZACV-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293401665 377552367 /nfs/dbraw/zinc/55/23/67/377552367.db2.gz LPDFHGDENXYIDS-MNOVXSKESA-N 1 0 250.298 2.314 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000265664177 190197856 /nfs/dbraw/zinc/19/78/56/190197856.db2.gz DGPKTRKOQCGQCB-HZRUHFOJSA-N 1 0 296.392 2.312 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000162800340 249321871 /nfs/dbraw/zinc/32/18/71/249321871.db2.gz RGAFQCFLBNPSDV-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293525725 377609593 /nfs/dbraw/zinc/60/95/93/377609593.db2.gz WLJDMPXEMFQDJW-MNOVXSKESA-N 1 0 280.324 2.322 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CC=CCC1 ZINC000565229318 377619182 /nfs/dbraw/zinc/61/91/82/377619182.db2.gz LLYIJDPBRHNYKC-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COCC1(C)C ZINC000313067925 249378287 /nfs/dbraw/zinc/37/82/87/249378287.db2.gz QPHZKLNGPKKQNH-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313156590 249386911 /nfs/dbraw/zinc/38/69/11/249386911.db2.gz GZNACIYBJMKJHD-YXVBKTCISA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583712 377640979 /nfs/dbraw/zinc/64/09/79/377640979.db2.gz FAFJOJPRGDMFLU-GHMZBOCLSA-N 1 0 280.372 2.168 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000565537900 377670760 /nfs/dbraw/zinc/67/07/60/377670760.db2.gz MRNKNHQQQOEMDY-CYBMUJFWSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735151 377729392 /nfs/dbraw/zinc/72/93/92/377729392.db2.gz NDKAQDLKNUHHSV-GFCCVEGCSA-N 1 0 292.383 2.314 20 5 CEBDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432419857 377761006 /nfs/dbraw/zinc/76/10/06/377761006.db2.gz GQUSPZJKACSOAC-CDWSIMAYSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000439134662 377921040 /nfs/dbraw/zinc/92/10/40/377921040.db2.gz OVLDVRXWLCLTIU-LLVKDONJSA-N 1 0 299.346 2.239 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659499 378002768 /nfs/dbraw/zinc/00/27/68/378002768.db2.gz HFRRIRCMJNFQGN-RNCFNFMXSA-N 1 0 279.340 2.253 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443508545 378056562 /nfs/dbraw/zinc/05/65/62/378056562.db2.gz ITRZCNGRPTVOHJ-LLVKDONJSA-N 1 0 296.396 2.219 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC2)n1 ZINC000447536000 378113221 /nfs/dbraw/zinc/11/32/21/378113221.db2.gz KCNDOYSBQKZJKO-NEPJUHHUSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H](O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450458791 378429482 /nfs/dbraw/zinc/42/94/82/378429482.db2.gz JHFVNRWBHCPZCO-LBPRGKRZSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450785719 378578730 /nfs/dbraw/zinc/57/87/30/378578730.db2.gz BUACJPZTNYOMSI-BETUJISGSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000450791596 378581708 /nfs/dbraw/zinc/58/17/08/378581708.db2.gz MGWKSSWRRLMDFH-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO C[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298725954 378813909 /nfs/dbraw/zinc/81/39/09/378813909.db2.gz UCBOZSHNUKOKEZ-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000347102386 218120549 /nfs/dbraw/zinc/12/05/49/218120549.db2.gz KJWSYGWBVLVMDL-VXGBXAGGSA-N 1 0 293.367 2.176 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168366 218144124 /nfs/dbraw/zinc/14/41/24/218144124.db2.gz MMHMNJBOVWCUMU-CYBMUJFWSA-N 1 0 277.368 2.335 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454371995 379000687 /nfs/dbraw/zinc/00/06/87/379000687.db2.gz ZGXWTAGEZYIRFS-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000347371262 218209592 /nfs/dbraw/zinc/20/95/92/218209592.db2.gz JQNYWFGQYZQJMR-BLMSOEDDSA-N 1 0 288.347 2.455 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510104469 379114185 /nfs/dbraw/zinc/11/41/85/379114185.db2.gz LOCJSKNXJKIOAI-BETUJISGSA-N 1 0 280.324 2.213 20 5 CEBDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745081 190278046 /nfs/dbraw/zinc/27/80/46/190278046.db2.gz AMFOLEHGKKAAPQ-AAEUAGOBSA-N 1 0 291.351 2.255 20 5 CEBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000266842466 190284026 /nfs/dbraw/zinc/28/40/26/190284026.db2.gz NIDKHZQZGHZZQX-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000304001335 379509396 /nfs/dbraw/zinc/50/93/96/379509396.db2.gz RFFCLBWFZAHEMD-GFCCVEGCSA-N 1 0 282.340 2.065 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000305254409 379699214 /nfs/dbraw/zinc/69/92/14/379699214.db2.gz MXPPQROGCVPKBS-AWEZNQCLSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1ccc(CNCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525800449 379671025 /nfs/dbraw/zinc/67/10/25/379671025.db2.gz HRFXMKWBURQQIM-LBPRGKRZSA-N 1 0 293.367 2.035 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034059 190371702 /nfs/dbraw/zinc/37/17/02/190371702.db2.gz LVOQOUPLPRDJQT-GHMZBOCLSA-N 1 0 277.324 2.312 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489415888 380188010 /nfs/dbraw/zinc/18/80/10/380188010.db2.gz RTWFWDPBRSOPOP-FZMZJTMJSA-N 1 0 294.351 2.065 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000489436156 380188885 /nfs/dbraw/zinc/18/88/85/380188885.db2.gz LSXXLMVEGNBTCK-IUODEOHRSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1cc(N2CC[C@@H](OCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000538937477 380247310 /nfs/dbraw/zinc/24/73/10/380247310.db2.gz XRLFHQKJVWGOAR-CQSZACIVSA-N 1 0 293.367 2.060 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279086345 194277957 /nfs/dbraw/zinc/27/79/57/194277957.db2.gz ORUOTVPOCZMUMS-ZFWWWQNUSA-N 1 0 294.351 2.187 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492368831 380531988 /nfs/dbraw/zinc/53/19/88/380531988.db2.gz TXUOCEMRJWXROG-CMDGGOBGSA-N 1 0 291.351 2.018 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000279337222 194390311 /nfs/dbraw/zinc/39/03/11/194390311.db2.gz PHEXZDSRIWGLQP-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])COC1 ZINC000575002156 299549483 /nfs/dbraw/zinc/54/94/83/299549483.db2.gz YMGFWBSQEOPCNF-LBPRGKRZSA-N 1 0 262.309 2.208 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](C2CCC2)CC1 ZINC000264958183 285077000 /nfs/dbraw/zinc/07/70/00/285077000.db2.gz MUUZYXBRJNHHFU-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000289418985 197337215 /nfs/dbraw/zinc/33/72/15/197337215.db2.gz CJKKPSMOVZDATC-WCQYABFASA-N 1 0 278.356 2.373 20 5 CEBDRO Cc1cnn(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289087548 197231043 /nfs/dbraw/zinc/23/10/43/197231043.db2.gz BIAWGEZVYFBQFE-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264645673 285166477 /nfs/dbraw/zinc/16/64/77/285166477.db2.gz WGXNTRSJSUYTSO-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000301981936 285170347 /nfs/dbraw/zinc/17/03/47/285170347.db2.gz BDSAHNPWHCDTKE-SNVBAGLBSA-N 1 0 265.338 2.107 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288632148 197132602 /nfs/dbraw/zinc/13/26/02/197132602.db2.gz YNVISAAVOAITOF-MRVPVSSYSA-N 1 0 293.352 2.106 20 5 CEBDRO C[C@H](CF)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000288543905 197108617 /nfs/dbraw/zinc/10/86/17/197108617.db2.gz WYAQBPLPRWEPGO-SNVBAGLBSA-N 1 0 292.314 2.443 20 5 CEBDRO C[C@@H](CF)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000288543903 197108407 /nfs/dbraw/zinc/10/84/07/197108407.db2.gz WYAQBPLPRWEPGO-JTQLQIEISA-N 1 0 292.314 2.443 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942059 184898783 /nfs/dbraw/zinc/89/87/83/184898783.db2.gz KPRNKAUPBLXSPJ-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190917400 533430140 /nfs/dbraw/zinc/43/01/40/533430140.db2.gz BVVRYAHXYXXHSG-DGCLKSJQSA-N 1 0 250.298 2.252 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190892319 130157886 /nfs/dbraw/zinc/15/78/86/130157886.db2.gz STQGNTPOEWGFNT-UHFFFAOYSA-N 1 0 294.355 2.400 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000304299387 394482666 /nfs/dbraw/zinc/48/26/66/394482666.db2.gz HWVDSJMLBVZLIL-DKIZZRPMSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054374558 394559979 /nfs/dbraw/zinc/55/99/79/394559979.db2.gz RAPNAJIXFXWRFG-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070176745 394586124 /nfs/dbraw/zinc/58/61/24/394586124.db2.gz LYJASWWUDPORIK-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC2(O)CCC2)cs1 ZINC000421378303 394517289 /nfs/dbraw/zinc/51/72/89/394517289.db2.gz SOKKSWRVYGLPJW-UHFFFAOYSA-N 1 0 270.354 2.441 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821113 394654235 /nfs/dbraw/zinc/65/42/35/394654235.db2.gz RVLCIJMJOKHMLX-LBPRGKRZSA-N 1 0 250.298 2.063 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000261947273 394609905 /nfs/dbraw/zinc/60/99/05/394609905.db2.gz FMKWYCQJISSDGE-NWDGAFQWSA-N 1 0 263.341 2.085 20 5 CEBDRO CC(C)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331150681 394627445 /nfs/dbraw/zinc/62/74/45/394627445.db2.gz OIJNHBVNEWLGHC-AWEZNQCLSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331264421 394629578 /nfs/dbraw/zinc/62/95/78/394629578.db2.gz GMPIXKYLOVMLSO-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000115434753 394755138 /nfs/dbraw/zinc/75/51/38/394755138.db2.gz RXELBNAYMMNTRE-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[NH2+]C1 ZINC000414840243 394764913 /nfs/dbraw/zinc/76/49/13/394764913.db2.gz YIJDEPOVIYUFPK-GFCCVEGCSA-N 1 0 293.367 2.083 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414851539 394770170 /nfs/dbraw/zinc/77/01/70/394770170.db2.gz PFDDFQIYANKDJY-NSHDSACASA-N 1 0 269.320 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000414867962 394778844 /nfs/dbraw/zinc/77/88/44/394778844.db2.gz GWJVQBGKAZDLFJ-GFCCVEGCSA-N 1 0 287.319 2.306 20 5 CEBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000422780096 394779450 /nfs/dbraw/zinc/77/94/50/394779450.db2.gz GVDKTVYOWJQWGP-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000120797598 394784481 /nfs/dbraw/zinc/78/44/81/394784481.db2.gz HHVHTUVYGUBFBG-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO CC(C)c1ccc(CN[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414891068 394791310 /nfs/dbraw/zinc/79/13/10/394791310.db2.gz WBBJKYGBLPKVFX-LBPRGKRZSA-N 1 0 263.341 2.170 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414950466 394820079 /nfs/dbraw/zinc/82/00/79/394820079.db2.gz HYFSFFMRHCTPKG-YNDZIGPTSA-N 1 0 275.352 2.338 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000415059200 394868243 /nfs/dbraw/zinc/86/82/43/394868243.db2.gz XKROZYUYMBUHFA-ZDUSSCGKSA-N 1 0 265.357 2.366 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnccc1N ZINC000423009853 394880381 /nfs/dbraw/zinc/88/03/81/394880381.db2.gz FDSUVEJSSHRBBY-LLVKDONJSA-N 1 0 286.335 2.296 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278881248 394838070 /nfs/dbraw/zinc/83/80/70/394838070.db2.gz SOEVOKJTNYNEIT-CQDKDKBSSA-N 1 0 294.351 2.439 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414992419 394840435 /nfs/dbraw/zinc/84/04/35/394840435.db2.gz BROLQXPGGXINDJ-PWSUYJOCSA-N 1 0 281.331 2.341 20 5 CEBDRO CC[NH+](CC)CCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000279898922 394844746 /nfs/dbraw/zinc/84/47/46/394844746.db2.gz IRUWMEUPUJZJCW-UHFFFAOYSA-N 1 0 287.747 2.142 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391706 394911598 /nfs/dbraw/zinc/91/15/98/394911598.db2.gz KYQGQSJOZUEGPX-UHIISALHSA-N 1 0 263.341 2.243 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423399206 394914777 /nfs/dbraw/zinc/91/47/77/394914777.db2.gz WDJWQNMRYYKBHK-VXGBXAGGSA-N 1 0 265.357 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[NH3+] ZINC000415290232 394919372 /nfs/dbraw/zinc/91/93/72/394919372.db2.gz CSZINELPCSREFQ-UHFFFAOYSA-N 1 0 280.328 2.072 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000284062825 394940610 /nfs/dbraw/zinc/94/06/10/394940610.db2.gz KEADIBOCUZJCBJ-GFCCVEGCSA-N 1 0 295.295 2.018 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415571938 394945063 /nfs/dbraw/zinc/94/50/63/394945063.db2.gz AQNQAGAFRKMZFZ-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415577068 394945068 /nfs/dbraw/zinc/94/50/68/394945068.db2.gz GSLVDMXAPUDJCS-NSHDSACASA-N 1 0 294.355 2.316 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000423527800 394946251 /nfs/dbraw/zinc/94/62/51/394946251.db2.gz MUJBOMGBEORWBN-SNVBAGLBSA-N 1 0 279.340 2.185 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH2+]C ZINC000423632040 394959826 /nfs/dbraw/zinc/95/98/26/394959826.db2.gz NIOSBFPNRIWPAN-VIFPVBQESA-N 1 0 297.380 2.045 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])CC ZINC000415762739 394961897 /nfs/dbraw/zinc/96/18/97/394961897.db2.gz NJIFLPKWTKBSQP-JTQLQIEISA-N 1 0 280.328 2.016 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417850672 395146332 /nfs/dbraw/zinc/14/63/32/395146332.db2.gz MNJIVMSXIXLKIE-PWSUYJOCSA-N 1 0 294.355 2.001 20 5 CEBDRO COCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000291638401 395147871 /nfs/dbraw/zinc/14/78/71/395147871.db2.gz BFLYOAPAQIRSPE-UHFFFAOYSA-N 1 0 294.351 2.128 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430604325 395165528 /nfs/dbraw/zinc/16/55/28/395165528.db2.gz MTIMCPLNSPOSON-JTQLQIEISA-N 1 0 267.304 2.047 20 5 CEBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+](C)C ZINC000291812746 395166793 /nfs/dbraw/zinc/16/67/93/395166793.db2.gz KGGYLWJOWWAQAV-VIFPVBQESA-N 1 0 277.328 2.081 20 5 CEBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000418036178 395178426 /nfs/dbraw/zinc/17/84/26/395178426.db2.gz BQOKZGRKNXWZCZ-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000179198795 395183452 /nfs/dbraw/zinc/18/34/52/395183452.db2.gz HKOWIXFAMJODOT-UHFFFAOYSA-N 1 0 281.356 2.123 20 5 CEBDRO C[C@@H](CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000397619616 395224110 /nfs/dbraw/zinc/22/41/10/395224110.db2.gz GFFCXYPMRSMTKX-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH3+])CC1 ZINC000420278157 395290901 /nfs/dbraw/zinc/29/09/01/395290901.db2.gz UXFVPAYZPUISCR-NSHDSACASA-N 1 0 263.341 2.387 20 5 CEBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295265010 395291387 /nfs/dbraw/zinc/29/13/87/395291387.db2.gz BYKKTRBTXLXYCB-UHFFFAOYSA-N 1 0 264.325 2.247 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420288960 395296993 /nfs/dbraw/zinc/29/69/93/395296993.db2.gz SPJVGKYCOHSNJZ-WDEREUQCSA-N 1 0 290.367 2.492 20 5 CEBDRO CC(C)(C)[C@@H](CN)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420366551 395354260 /nfs/dbraw/zinc/35/42/60/395354260.db2.gz RJGBEJYRTVJICO-CYBMUJFWSA-N 1 0 265.357 2.100 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000192128737 395373653 /nfs/dbraw/zinc/37/36/53/395373653.db2.gz HXWHBSGUUOPJIR-CMPLNLGQSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420420622 395375785 /nfs/dbraw/zinc/37/57/85/395375785.db2.gz YAXCFQZFKLCDQE-MNOVXSKESA-N 1 0 281.331 2.151 20 5 CEBDRO C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420330378 395331562 /nfs/dbraw/zinc/33/15/62/395331562.db2.gz IAEGOSOXEZBART-TZMCWYRMSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420637844 395396822 /nfs/dbraw/zinc/39/68/22/395396822.db2.gz PBFHWPWEDUTOSM-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000420358255 395344880 /nfs/dbraw/zinc/34/48/80/395344880.db2.gz FETDREHUHNAWKM-SUNKGSAMSA-N 1 0 263.341 2.071 20 5 CEBDRO Cc1nc(NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443959562 395407196 /nfs/dbraw/zinc/40/71/96/395407196.db2.gz HZYIBAYAJCRXTF-UHFFFAOYSA-N 1 0 292.383 2.254 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340763 395414872 /nfs/dbraw/zinc/41/48/72/395414872.db2.gz WXWZAWMXLDTUGU-GHMZBOCLSA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](C)O ZINC000444610610 395439395 /nfs/dbraw/zinc/43/93/95/395439395.db2.gz OUUVAUSVWLMNFU-SNVBAGLBSA-N 1 0 292.339 2.062 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC12CCCC2 ZINC000451457834 395620091 /nfs/dbraw/zinc/62/00/91/395620091.db2.gz NTMXPPTWGOOCTK-LLVKDONJSA-N 1 0 264.329 2.141 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)O ZINC000449544289 395554180 /nfs/dbraw/zinc/55/41/80/395554180.db2.gz QEMPRTRHRVEFKE-ZWNOBZJWSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827042 395589101 /nfs/dbraw/zinc/58/91/01/395589101.db2.gz REITWTRUGHRLNC-INIZCTEOSA-N 1 0 289.379 2.479 20 5 CEBDRO CN(c1cccnc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073628 400614018 /nfs/dbraw/zinc/61/40/18/400614018.db2.gz VHHJXZSJOJTQCZ-FOSCPWQOSA-N 1 0 276.340 2.051 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cs1 ZINC000190340604 153124433 /nfs/dbraw/zinc/12/44/33/153124433.db2.gz CQVDRMCBSPPOBN-MXWKQRLJSA-N 1 0 268.338 2.313 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C(C)C)CC1 ZINC000195337677 153286178 /nfs/dbraw/zinc/28/61/78/153286178.db2.gz YYLRGAQGFRWSJP-UHFFFAOYSA-N 1 0 295.387 2.404 20 5 CEBDRO COc1ccc(C[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000224185097 153321967 /nfs/dbraw/zinc/32/19/67/153321967.db2.gz AWIGCZAHINPNNR-UHFFFAOYSA-N 1 0 250.298 2.493 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344183847 154276579 /nfs/dbraw/zinc/27/65/79/154276579.db2.gz UMRNWXFRLGCBRT-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000367123357 156137502 /nfs/dbraw/zinc/13/75/02/156137502.db2.gz QGIYYXVOBCLXOF-GXTWGEPZSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076457 156278189 /nfs/dbraw/zinc/27/81/89/156278189.db2.gz QEPUBTQFYUAQJA-BXUZGUMPSA-N 1 0 278.356 2.340 20 5 CEBDRO C[C@H]1CC[C@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000368077868 156282038 /nfs/dbraw/zinc/28/20/38/156282038.db2.gz WPLKBHHSOLSPBI-JSGCOSHPSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376030354 157177724 /nfs/dbraw/zinc/17/77/24/157177724.db2.gz CSSXMFGGPZFNBN-DZGCQCFKSA-N 1 0 276.336 2.248 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008000 165090148 /nfs/dbraw/zinc/09/01/48/165090148.db2.gz ZZZLYVUSRPRQLO-TXEJJXNPSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000174817337 165118104 /nfs/dbraw/zinc/11/81/04/165118104.db2.gz AZPAKTHMTAZEOQ-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000174875819 165119128 /nfs/dbraw/zinc/11/91/28/165119128.db2.gz FSVRRIAGFDNGJS-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176205124 165160037 /nfs/dbraw/zinc/16/00/37/165160037.db2.gz DLLQBAPNGMRHRA-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176207122 165160318 /nfs/dbraw/zinc/16/03/18/165160318.db2.gz USTGQMYJJIAHDX-NEPJUHHUSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279710025 287144786 /nfs/dbraw/zinc/14/47/86/287144786.db2.gz HWIGJVFNZJMOFB-GXFFZTMASA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284552286 196082557 /nfs/dbraw/zinc/08/25/57/196082557.db2.gz VYKRWLZJRMPBTO-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO CCC[C@H]([NH2+]CCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188653 171053256 /nfs/dbraw/zinc/05/32/56/171053256.db2.gz UBVRZAUTIGBKRT-ZDUSSCGKSA-N 1 0 252.314 2.408 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000020208228 171071909 /nfs/dbraw/zinc/07/19/09/171071909.db2.gz OUDYDBYAOYHTHH-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035247560 172078640 /nfs/dbraw/zinc/07/86/40/172078640.db2.gz NMWPTKWMYLGNSW-GWCFXTLKSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285302605 196245494 /nfs/dbraw/zinc/24/54/94/196245494.db2.gz SDMNIPPFACUOEG-BDAKNGLRSA-N 1 0 275.312 2.312 20 5 CEBDRO Cc1c(C[N@@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000078727925 177377436 /nfs/dbraw/zinc/37/74/36/177377436.db2.gz RJSOJXHDCUMRHE-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078738588 177379420 /nfs/dbraw/zinc/37/94/20/177379420.db2.gz SYMSUJXQUCKLCX-UHFFFAOYSA-N 1 0 252.314 2.188 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449190456 260287522 /nfs/dbraw/zinc/28/75/22/260287522.db2.gz IVUKMMLTLCCQDJ-NQBHXWOUSA-N 1 0 266.345 2.206 20 5 CEBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335451 264011763 /nfs/dbraw/zinc/01/17/63/264011763.db2.gz IBRJKGHXNUXALS-CMPLNLGQSA-N 1 0 292.364 2.455 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000150254206 270236511 /nfs/dbraw/zinc/23/65/11/270236511.db2.gz FRCSRNGWKCSCOG-RSPDNQDQSA-N 1 0 291.351 2.242 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150245917 270236582 /nfs/dbraw/zinc/23/65/82/270236582.db2.gz HCHBZXYPCOFHQU-LBPRGKRZSA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCCCO)cccc1[N+](=O)[O-] ZINC000194227122 270294522 /nfs/dbraw/zinc/29/45/22/270294522.db2.gz WCIZSTDABIOCEZ-NSHDSACASA-N 1 0 252.314 2.326 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000395267848 270346220 /nfs/dbraw/zinc/34/62/20/270346220.db2.gz JWDXESNHXOVMOJ-CWSCBRNRSA-N 1 0 252.314 2.405 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420324239 270518319 /nfs/dbraw/zinc/51/83/19/270518319.db2.gz HEDSCUFYFFRELC-UHFFFAOYSA-N 1 0 267.304 2.047 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000422868900 270796313 /nfs/dbraw/zinc/79/63/13/270796313.db2.gz VTTVQRZXNBLOFZ-HNNXBMFYSA-N 1 0 293.367 2.315 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422879231 270797139 /nfs/dbraw/zinc/79/71/39/270797139.db2.gz LXPMSEOFOSGHLM-UHFFFAOYSA-N 1 0 293.367 2.079 20 5 CEBDRO COC(=O)CC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000424280561 271039202 /nfs/dbraw/zinc/03/92/02/271039202.db2.gz IFQXIWBTENJHEU-UHFFFAOYSA-N 1 0 292.335 2.069 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1O ZINC000424317051 271044488 /nfs/dbraw/zinc/04/44/88/271044488.db2.gz NRVPNKQEPGOYFH-ZKYQVNSYSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000424318155 271044508 /nfs/dbraw/zinc/04/45/08/271044508.db2.gz PELMOVUAADGHRI-UFGOTCBOSA-N 1 0 250.298 2.077 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000430565173 271392161 /nfs/dbraw/zinc/39/21/61/271392161.db2.gz FALMKMRDRSPGBZ-ZDUSSCGKSA-N 1 0 251.330 2.058 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172175348 274018809 /nfs/dbraw/zinc/01/88/09/274018809.db2.gz GLGKJUSTHGWIBP-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882655 274210244 /nfs/dbraw/zinc/21/02/44/274210244.db2.gz DAXYOUAAQQMCTI-IINYFYTJSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253533 274240784 /nfs/dbraw/zinc/24/07/84/274240784.db2.gz WDYJKWVEWNLFFO-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294912 274273453 /nfs/dbraw/zinc/27/34/53/274273453.db2.gz DETRGZVNCYKBAZ-YGRLFVJLSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000093633701 274587030 /nfs/dbraw/zinc/58/70/30/274587030.db2.gz QBCDMQRFOUHBSV-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295086364 276437933 /nfs/dbraw/zinc/43/79/33/276437933.db2.gz RAUGVKPBBLQIEF-MNOVXSKESA-N 1 0 274.267 2.089 20 5 CEBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000131157884 276687170 /nfs/dbraw/zinc/68/71/70/276687170.db2.gz NKYYSTJCIQAQJS-CYBMUJFWSA-N 1 0 291.351 2.111 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375041426 277145465 /nfs/dbraw/zinc/14/54/65/277145465.db2.gz QGLJWXQABUBUPI-GDBMZVCRSA-N 1 0 289.379 2.163 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000344779275 278236710 /nfs/dbraw/zinc/23/67/10/278236710.db2.gz XSUYEOFZOYSWRS-CABZTGNLSA-N 1 0 288.294 2.132 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063192827 278632887 /nfs/dbraw/zinc/63/28/87/278632887.db2.gz BLUVAXKSRMMGRO-FZMZJTMJSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000191755147 278854561 /nfs/dbraw/zinc/85/45/61/278854561.db2.gz XKXZTQKAPKPVFT-ZWNOBZJWSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1ccnc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286472914 278986327 /nfs/dbraw/zinc/98/63/27/278986327.db2.gz VZELDZGSCHDHDR-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127451331 279863520 /nfs/dbraw/zinc/86/35/20/279863520.db2.gz AWTVYWDEWYXCBI-KIUWMYQTSA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286393650 279952508 /nfs/dbraw/zinc/95/25/08/279952508.db2.gz PDCNFVHEVODWDM-WCQYABFASA-N 1 0 290.367 2.240 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000150258022 280079992 /nfs/dbraw/zinc/07/99/92/280079992.db2.gz GZNACIYBJMKJHD-XEHSLEBBSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246175256 280278257 /nfs/dbraw/zinc/27/82/57/280278257.db2.gz GFKMGYYRMHPSDR-TZMCWYRMSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000127718069 280281705 /nfs/dbraw/zinc/28/17/05/280281705.db2.gz RLRAMEGUZCGUEB-GFCCVEGCSA-N 1 0 279.340 2.040 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424147139 281122488 /nfs/dbraw/zinc/12/24/88/281122488.db2.gz XSTFSJZCQKVUAW-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC23CC3)n1 ZINC000424315820 281148573 /nfs/dbraw/zinc/14/85/73/281148573.db2.gz DVQUQECLRDWQBD-TUAOUCFPSA-N 1 0 276.340 2.417 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455979 281238025 /nfs/dbraw/zinc/23/80/25/281238025.db2.gz SOFAUCDPWXXVEG-SCZZXKLOSA-N 1 0 274.267 2.262 20 5 CEBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576144 281247191 /nfs/dbraw/zinc/24/71/91/281247191.db2.gz BMJKRQLZXGMAQD-ZWNOBZJWSA-N 1 0 291.351 2.314 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC[C@@H]2CCOC2)c1 ZINC000437790649 281429011 /nfs/dbraw/zinc/42/90/11/281429011.db2.gz VVIPIVPUMDJPTN-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1ccnc1 ZINC000155690307 289180328 /nfs/dbraw/zinc/18/03/28/289180328.db2.gz ZRCNSDKQUGDCHS-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO CC(C)OC1CC([N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000459401450 290137702 /nfs/dbraw/zinc/13/77/02/290137702.db2.gz NVPSDNSEBSTIOT-UHFFFAOYSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000471799385 290283993 /nfs/dbraw/zinc/28/39/93/290283993.db2.gz QDDPQYQSOXKDPD-YJLKIPLNSA-N 1 0 262.309 2.063 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000487663431 290357923 /nfs/dbraw/zinc/35/79/23/290357923.db2.gz HMLYIQJAKOTHJZ-ZYHUDNBSSA-N 1 0 264.329 2.275 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010188 295269075 /nfs/dbraw/zinc/26/90/75/295269075.db2.gz ZWHUUNBZPYOQGQ-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131974502 297249942 /nfs/dbraw/zinc/24/99/42/297249942.db2.gz FVRPRZPEEIYAIG-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO COCCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532467838 298145244 /nfs/dbraw/zinc/14/52/44/298145244.db2.gz KGLLVRRXCUSDCH-LBPRGKRZSA-N 1 0 282.340 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)C(C)C ZINC000536862412 298206349 /nfs/dbraw/zinc/20/63/49/298206349.db2.gz HOJRAQKWENTJMC-LBPRGKRZSA-N 1 0 293.367 2.326 20 5 CEBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000541596403 298281684 /nfs/dbraw/zinc/28/16/84/298281684.db2.gz XDLLTOYEGZAJPZ-GFCCVEGCSA-N 1 0 282.340 2.234 20 5 CEBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541597178 298281945 /nfs/dbraw/zinc/28/19/45/298281945.db2.gz NPTRSMDKQZXUOZ-SNVBAGLBSA-N 1 0 289.335 2.454 20 5 CEBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000090517760 298439944 /nfs/dbraw/zinc/43/99/44/298439944.db2.gz BQBKKATWVPFLLW-RMDKCXRXSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000563951287 298811120 /nfs/dbraw/zinc/81/11/20/298811120.db2.gz XBYJPDRWLZBURL-WFASDCNBSA-N 1 0 293.367 2.094 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408172667 301204851 /nfs/dbraw/zinc/20/48/51/301204851.db2.gz ZCDPSGSYAVUSRD-OLZOCXBDSA-N 1 0 290.367 2.137 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417842957 301708717 /nfs/dbraw/zinc/70/87/17/301708717.db2.gz GQADLRLILHNWPM-WDEREUQCSA-N 1 0 294.355 2.001 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000349856380 312900808 /nfs/dbraw/zinc/90/08/08/312900808.db2.gz RZOSOWWOXLIAKX-DLGQBQFBSA-N 1 0 250.298 2.012 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000507162904 313044599 /nfs/dbraw/zinc/04/45/99/313044599.db2.gz WYCQAWXAFAHFLL-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000515754503 313076959 /nfs/dbraw/zinc/07/69/59/313076959.db2.gz ZAUPJMVUBJNDKO-RYUDHWBXSA-N 1 0 291.351 2.080 20 5 CEBDRO CC(C)OC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554552922 313636815 /nfs/dbraw/zinc/63/68/15/313636815.db2.gz JJXUHJCEZWQEAW-LBPRGKRZSA-N 1 0 282.340 2.377 20 5 CEBDRO CC(C)=CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564651101 313772061 /nfs/dbraw/zinc/77/20/61/313772061.db2.gz KCOZGZWIFLZIDM-AWEZNQCLSA-N 1 0 294.351 2.280 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000574219056 314198856 /nfs/dbraw/zinc/19/88/56/314198856.db2.gz INFOXVDVHJFHEU-FZMZJTMJSA-N 1 0 298.346 2.452 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]C(C)C ZINC000577221624 314354073 /nfs/dbraw/zinc/35/40/73/314354073.db2.gz UIDBTDUYKMSSOF-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384739218 321854604 /nfs/dbraw/zinc/85/46/04/321854604.db2.gz WTENUFISRAXADQ-MEJMFZKBSA-N 1 0 291.351 2.098 20 5 CEBDRO CC(C)(CO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000385940170 321866397 /nfs/dbraw/zinc/86/63/97/321866397.db2.gz VZUOZQAXQMEWDI-UHFFFAOYSA-N 1 0 270.304 2.232 20 5 CEBDRO CC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000580512000 322321723 /nfs/dbraw/zinc/32/17/23/322321723.db2.gz QVHZPFMUUUMAPX-UHFFFAOYSA-N 1 0 264.329 2.228 20 5 CEBDRO CN1CCO[C@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711411 322337807 /nfs/dbraw/zinc/33/78/07/322337807.db2.gz CWPHKHAXEAKYHW-JTQLQIEISA-N 1 0 286.328 2.157 20 5 CEBDRO Cn1cncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416685 518195467 /nfs/dbraw/zinc/19/54/67/518195467.db2.gz IKUDUEHABHTJMX-ZDUSSCGKSA-N 1 0 272.308 2.105 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000155886219 519285888 /nfs/dbraw/zinc/28/58/88/519285888.db2.gz ZCTPHLAUIPADTI-AWEZNQCLSA-N 1 0 294.355 2.480 20 5 CEBDRO CC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157575665 520934546 /nfs/dbraw/zinc/93/45/46/520934546.db2.gz YFHQTOSQJJXKGV-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000069092628 521481056 /nfs/dbraw/zinc/48/10/56/521481056.db2.gz IYONDJPNXIIUBN-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183213862 521733116 /nfs/dbraw/zinc/73/31/16/521733116.db2.gz SAGVEFVYGCGHBF-NSHDSACASA-N 1 0 293.367 2.408 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000067701444 522859639 /nfs/dbraw/zinc/85/96/39/522859639.db2.gz HRAMRLSONRHEOC-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000061379527 523617556 /nfs/dbraw/zinc/61/75/56/523617556.db2.gz LJPHNOJLHJKCEX-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000151399825 524094407 /nfs/dbraw/zinc/09/44/07/524094407.db2.gz IXZKJKJQGRZSLA-AULYBMBSSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000237197619 536454141 /nfs/dbraw/zinc/45/41/41/536454141.db2.gz NNBLXMQOTRGWCC-JTQLQIEISA-N 1 0 297.380 2.036 20 5 CEBDRO CCCCOC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357900002 528571330 /nfs/dbraw/zinc/57/13/30/528571330.db2.gz AKAWMMANQXMHNE-UHFFFAOYSA-N 1 0 296.371 2.072 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045996 529081788 /nfs/dbraw/zinc/08/17/88/529081788.db2.gz UPCRDZCUJJCPGJ-GFCCVEGCSA-N 1 0 279.340 2.500 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000194419717 536956053 /nfs/dbraw/zinc/95/60/53/536956053.db2.gz PJJXCOFNMJCMFR-CYBMUJFWSA-N 1 0 278.308 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CCO)C1CC1 ZINC000741259321 574979633 /nfs/dbraw/zinc/97/96/33/574979633.db2.gz WBXAODWPUXCJJV-LBPRGKRZSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1cccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742238217 575012849 /nfs/dbraw/zinc/01/28/49/575012849.db2.gz XNEIQBJJZMTLLB-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411891 575020630 /nfs/dbraw/zinc/02/06/30/575020630.db2.gz JUMOYQQPJHNXJV-WDEREUQCSA-N 1 0 289.339 2.137 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccco2)c1 ZINC000749644395 575228498 /nfs/dbraw/zinc/22/84/98/575228498.db2.gz FFHFLWMZGIHPKV-ZDUSSCGKSA-N 1 0 262.265 2.011 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000235389742 625374387 /nfs/dbraw/zinc/37/43/87/625374387.db2.gz XDQBJRAKDOTENL-MWLCHTKSSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310295082 625451519 /nfs/dbraw/zinc/45/15/19/625451519.db2.gz OPQUJWDOAWHNKD-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO Cc1sc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843509271 622969896 /nfs/dbraw/zinc/96/98/96/622969896.db2.gz FNHLWWPUFNQCJN-UHFFFAOYSA-N 1 0 285.369 2.214 20 5 CEBDRO CC(C)([NH3+])CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000050196468 623347961 /nfs/dbraw/zinc/34/79/61/623347961.db2.gz ZLWRMXIXEKDSCS-UHFFFAOYSA-N 1 0 276.296 2.315 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000308674207 623948190 /nfs/dbraw/zinc/94/81/90/623948190.db2.gz KRXDGXLAOGCTSA-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194234 624309073 /nfs/dbraw/zinc/30/90/73/624309073.db2.gz BBEBIYISAFRADS-BXKDBHETSA-N 1 0 293.348 2.436 20 5 CEBDRO Cc1c(C[NH2+]CCOCC(F)F)cccc1[N+](=O)[O-] ZINC000235755052 625734600 /nfs/dbraw/zinc/73/46/00/625734600.db2.gz XJMZAPFOQCJQQP-UHFFFAOYSA-N 1 0 274.267 2.275 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000892824008 627793994 /nfs/dbraw/zinc/79/39/94/627793994.db2.gz PPDWVTZHFMJBTB-MNOVXSKESA-N 1 0 294.355 2.283 20 5 CEBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000893079834 627986460 /nfs/dbraw/zinc/98/64/60/627986460.db2.gz KJOZWEDNGJDSBK-ZJUUUORDSA-N 1 0 294.311 2.032 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CNCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428508 634649029 /nfs/dbraw/zinc/64/90/29/634649029.db2.gz DSJASCHUDAHXTI-YRGRVCCFSA-N 1 0 277.368 2.286 20 5 CEBDRO NOCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000902420945 634645605 /nfs/dbraw/zinc/64/56/05/634645605.db2.gz YZVRNFINGFEMNI-GXTWGEPZSA-N 1 0 293.367 2.176 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054131653 628981452 /nfs/dbraw/zinc/98/14/52/628981452.db2.gz QNQDGBIFIYQABP-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CCOc1cc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941516 629056658 /nfs/dbraw/zinc/05/66/58/629056658.db2.gz SLGFUOWZINGTQU-FZMZJTMJSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503941 629166523 /nfs/dbraw/zinc/16/65/23/629166523.db2.gz KFJMBYLOEKBDEA-ONGXEEELSA-N 1 0 264.329 2.072 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503939 629166784 /nfs/dbraw/zinc/16/67/84/629166784.db2.gz KFJMBYLOEKBDEA-KOLCDFICSA-N 1 0 264.329 2.072 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000894247558 629253983 /nfs/dbraw/zinc/25/39/83/629253983.db2.gz GLYBUIYMVVRTKK-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000794949762 629368326 /nfs/dbraw/zinc/36/83/26/629368326.db2.gz SIGZAXJWILIRJM-HZMBPMFUSA-N 1 0 295.770 2.384 20 5 CEBDRO C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895098859 629892373 /nfs/dbraw/zinc/89/23/73/629892373.db2.gz CIPOLPSEPYXOLL-LBPRGKRZSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000895100629 629896329 /nfs/dbraw/zinc/89/63/29/629896329.db2.gz CUNYGLHYYZJHHB-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO CCO[C@H](CNc1c(C)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000896115864 630468910 /nfs/dbraw/zinc/46/89/10/630468910.db2.gz ODTNOGJZJSTYNN-GFCCVEGCSA-N 1 0 281.356 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000896517811 630587366 /nfs/dbraw/zinc/58/73/66/630587366.db2.gz JVPATUAZDHCUPW-NSHDSACASA-N 1 0 297.380 2.322 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)c1C ZINC000896708990 630645475 /nfs/dbraw/zinc/64/54/75/630645475.db2.gz XULFKQYKUMTWLK-NSHDSACASA-N 1 0 293.367 2.282 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913884 630798620 /nfs/dbraw/zinc/79/86/20/630798620.db2.gz WQHLTGLHPAEBFZ-RNCFNFMXSA-N 1 0 296.758 2.031 20 5 CEBDRO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000870551595 631120638 /nfs/dbraw/zinc/12/06/38/631120638.db2.gz JTBNWFYYNAJXMA-LBPRGKRZSA-N 1 0 266.297 2.092 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526767 631283032 /nfs/dbraw/zinc/28/30/32/631283032.db2.gz XBVIKJGPUVXMBU-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](C[NH2+]Cc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000897469964 631538038 /nfs/dbraw/zinc/53/80/38/631538038.db2.gz UWDMAYKDPLDZRQ-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[NH+](C)C1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804347067 631667821 /nfs/dbraw/zinc/66/78/21/631667821.db2.gz DSRDRSRSPMYHLC-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804621570 631714480 /nfs/dbraw/zinc/71/44/80/631714480.db2.gz XEKUBSGVIWOUSE-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCC1 ZINC000897896795 631966362 /nfs/dbraw/zinc/96/63/62/631966362.db2.gz ZSNGLNCHSVPIKA-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO [NH3+]CCN(C[C@H]1CCC=CO1)c1ccc([N+](=O)[O-])cc1 ZINC000809735198 632134390 /nfs/dbraw/zinc/13/43/90/632134390.db2.gz UUFVJNFASFTDOU-CQSZACIVSA-N 1 0 277.324 2.053 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1 ZINC000813332571 632670509 /nfs/dbraw/zinc/67/05/09/632670509.db2.gz CKGLSEHWNLDOGZ-AWEZNQCLSA-N 1 0 280.324 2.228 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)C[NH+](C)C ZINC000813615385 632717586 /nfs/dbraw/zinc/71/75/86/632717586.db2.gz WVVIVUQQZHUCBL-SNVBAGLBSA-N 1 0 279.340 2.407 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000814938126 632936468 /nfs/dbraw/zinc/93/64/68/632936468.db2.gz WKCHPPSSDLUUBA-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C ZINC000815161473 632974813 /nfs/dbraw/zinc/97/48/13/632974813.db2.gz FJVCKXYDUFFLFH-ZJUUUORDSA-N 1 0 295.314 2.403 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571806 633032811 /nfs/dbraw/zinc/03/28/11/633032811.db2.gz MQNADSURFFBILN-ZYHUDNBSSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587304 633035759 /nfs/dbraw/zinc/03/57/59/633035759.db2.gz GKFBLLZCABEQPS-QMTHXVAHSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615527 633038854 /nfs/dbraw/zinc/03/88/54/633038854.db2.gz RDQHCNMDSCKHJX-GHMZBOCLSA-N 1 0 279.340 2.254 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000818474127 633928747 /nfs/dbraw/zinc/92/87/47/633928747.db2.gz DRMBKWOVWSMWKM-YOGCLGLASA-N 1 0 289.335 2.079 20 5 CEBDRO Cc1occc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818969811 634021861 /nfs/dbraw/zinc/02/18/61/634021861.db2.gz IUWKTDNHXVRYIW-CQSZACIVSA-N 1 0 276.292 2.319 20 5 CEBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819121127 634074711 /nfs/dbraw/zinc/07/47/11/634074711.db2.gz HEIYMUAMXMXSPA-RISCZKNCSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819188128 634098381 /nfs/dbraw/zinc/09/83/81/634098381.db2.gz CHOWLXYYCAJZEB-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207846 634105007 /nfs/dbraw/zinc/10/50/07/634105007.db2.gz QUEWHAMJBJIQSO-VHDGCEQUSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000819218395 634106916 /nfs/dbraw/zinc/10/69/16/634106916.db2.gz ONMAORSLEURJKD-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO CCC(C)(C)OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819358518 634153186 /nfs/dbraw/zinc/15/31/86/634153186.db2.gz JQHJTBDLXFQAIL-AWEZNQCLSA-N 1 0 296.367 2.423 20 5 CEBDRO COc1cc([C@H](C)[NH2+]Cc2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC000903075941 634958158 /nfs/dbraw/zinc/95/81/58/634958158.db2.gz HKIUXFRDOLCOFS-JTQLQIEISA-N 1 0 290.323 2.188 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903092076 634974054 /nfs/dbraw/zinc/97/40/54/634974054.db2.gz GVYSLDDYKCALIW-QMTHXVAHSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)C2CC2)cc([N+](=O)[O-])c1 ZINC000903120287 634980456 /nfs/dbraw/zinc/98/04/56/634980456.db2.gz NCPIETDWHQTXPG-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc([N+](=O)[O-])c1 ZINC000903120213 634980470 /nfs/dbraw/zinc/98/04/70/634980470.db2.gz MFJNFKANIBHVIX-VIFPVBQESA-N 1 0 290.323 2.486 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](CO)CC2CC2)cc([N+](=O)[O-])c1 ZINC000903126919 634981865 /nfs/dbraw/zinc/98/18/65/634981865.db2.gz FPKZANKVWQAHCR-GWCFXTLKSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194332 635005365 /nfs/dbraw/zinc/00/53/65/635005365.db2.gz MZWVTNMSCVICKH-JBLDHEPKSA-N 1 0 280.324 2.431 20 5 CEBDRO Cc1cc(Cc2noc(CC[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862502 635014006 /nfs/dbraw/zinc/01/40/06/635014006.db2.gz JTBRKMWOQOQFIU-JTQLQIEISA-N 1 0 290.323 2.157 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903798295 635275691 /nfs/dbraw/zinc/27/56/91/635275691.db2.gz NBZKGRNZUOUGFN-IAQYHMDHSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903798296 635275860 /nfs/dbraw/zinc/27/58/60/635275860.db2.gz NBZKGRNZUOUGFN-NHYWBVRUSA-N 1 0 293.342 2.437 20 5 CEBDRO Cc1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903954216 635388227 /nfs/dbraw/zinc/38/82/27/635388227.db2.gz AOBAFGPIYZITMY-LBPRGKRZSA-N 1 0 299.321 2.238 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)s1 ZINC000904110023 635452904 /nfs/dbraw/zinc/45/29/04/635452904.db2.gz KSPBAWYOAUTAPH-MATHAZKKSA-N 1 0 292.320 2.029 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000904272362 635540244 /nfs/dbraw/zinc/54/02/44/635540244.db2.gz COVGYBGKMPVJAL-GFCCVEGCSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000905087714 635801548 /nfs/dbraw/zinc/80/15/48/635801548.db2.gz GSPZJXZGABRTTO-UHFFFAOYSA-N 1 0 254.717 2.238 20 5 CEBDRO COc1cccc(C2(C[NH2+]CC[N+](=O)[O-])CCCC2)c1 ZINC000905100964 635815998 /nfs/dbraw/zinc/81/59/98/635815998.db2.gz HKCJXHPYGROJGR-UHFFFAOYSA-N 1 0 278.352 2.373 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000905244056 636169566 /nfs/dbraw/zinc/16/95/66/636169566.db2.gz ULFPPHRUHZFLEE-DGCLKSJQSA-N 1 0 252.289 2.328 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905436758 636280333 /nfs/dbraw/zinc/28/03/33/636280333.db2.gz IJKFGUZUFZPKJW-WDEREUQCSA-N 1 0 274.242 2.428 20 5 CEBDRO [NH3+][C@@H]1CC[C@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000905734239 636423762 /nfs/dbraw/zinc/42/37/62/636423762.db2.gz QGJDZQYVIFYSQZ-WDEREUQCSA-N 1 0 287.319 2.037 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830480780 637081612 /nfs/dbraw/zinc/08/16/12/637081612.db2.gz TWVFNNLHIAKKSN-VIFPVBQESA-N 1 0 299.277 2.106 20 5 CEBDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217951 637256972 /nfs/dbraw/zinc/25/69/72/637256972.db2.gz PBHXTDPELQSESZ-JTQLQIEISA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CC(N)=O)CC(C)C ZINC000876599383 650354317 /nfs/dbraw/zinc/35/43/17/650354317.db2.gz ZIEGGHXKENVTSH-UHFFFAOYSA-N 1 0 293.367 2.155 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])n1 ZINC000876724945 650410407 /nfs/dbraw/zinc/41/04/07/650410407.db2.gz KHPVWDZZKALPFX-UHFFFAOYSA-N 1 0 264.329 2.094 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](C)C)cc1Cl ZINC000836786569 638705310 /nfs/dbraw/zinc/70/53/10/638705310.db2.gz DJWBFXLYJQIIAB-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000876934912 650492562 /nfs/dbraw/zinc/49/25/62/650492562.db2.gz LZNQEZPKBCNKLX-NXEZZACHSA-N 1 0 279.340 2.067 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000223284576 639417554 /nfs/dbraw/zinc/41/75/54/639417554.db2.gz GANBHIXODMNREY-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000225589054 639508318 /nfs/dbraw/zinc/50/83/18/639508318.db2.gz RDBQBNYGDULOMZ-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227721314 639602553 /nfs/dbraw/zinc/60/25/53/639602553.db2.gz FSIPUUPEYSFICU-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000841032214 639624117 /nfs/dbraw/zinc/62/41/17/639624117.db2.gz ANFJQBBYRRVAFE-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO [NH3+]CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000841075297 639645791 /nfs/dbraw/zinc/64/57/91/639645791.db2.gz ZQKPIJATYZVRPJ-JTQLQIEISA-N 1 0 293.701 2.320 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477077 640076515 /nfs/dbraw/zinc/07/65/15/640076515.db2.gz GBKIETUOUHSTNX-DOMZBBRYSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843052806 640256328 /nfs/dbraw/zinc/25/63/28/640256328.db2.gz WJSGRPMMUODONZ-ZANVPECISA-N 1 0 283.759 2.417 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077580 640271070 /nfs/dbraw/zinc/27/10/70/640271070.db2.gz SUWPIQQXQGWGIO-WHOFXGATSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843147541 640306130 /nfs/dbraw/zinc/30/61/30/640306130.db2.gz AZALPISALZFJKQ-LBPRGKRZSA-N 1 0 292.295 2.213 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877124368 650582884 /nfs/dbraw/zinc/58/28/84/650582884.db2.gz VYQIPGBGPLVOSJ-OIKLOGQESA-N 1 0 264.329 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+](C)C)C2)n1 ZINC000765483459 640603570 /nfs/dbraw/zinc/60/35/70/640603570.db2.gz SJHYBRDHTJYIDA-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000917062938 640844502 /nfs/dbraw/zinc/84/45/02/640844502.db2.gz YIZXAXBAGUKIGS-VIFPVBQESA-N 1 0 293.327 2.273 20 5 CEBDRO CC(C)(CCc1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1)[N+](=O)[O-] ZINC000844920565 640866396 /nfs/dbraw/zinc/86/63/96/640866396.db2.gz SUFARSNDQOLBBC-GHMZBOCLSA-N 1 0 294.355 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877185852 650615117 /nfs/dbraw/zinc/61/51/17/650615117.db2.gz WAUHPXNHZSKFTD-OLZOCXBDSA-N 1 0 278.352 2.414 20 5 CEBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000847829315 641796909 /nfs/dbraw/zinc/79/69/09/641796909.db2.gz WXEXDVUJQBCIBC-LLVKDONJSA-N 1 0 278.308 2.093 20 5 CEBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])OCCCO1 ZINC000848547544 642047154 /nfs/dbraw/zinc/04/71/54/642047154.db2.gz QSBZRQBOZPHUSU-ZDUSSCGKSA-N 1 0 292.335 2.325 20 5 CEBDRO CCN(CC(=O)NC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000768302444 642093814 /nfs/dbraw/zinc/09/38/14/642093814.db2.gz LZDGHSKOVSJUMF-UHFFFAOYSA-N 1 0 293.367 2.286 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000877441462 650723668 /nfs/dbraw/zinc/72/36/68/650723668.db2.gz LSTXSNVLOADTCR-UHFFFAOYSA-N 1 0 297.330 2.325 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CCNC1=[NH+]CCCCN1 ZINC000849217907 642287102 /nfs/dbraw/zinc/28/71/02/642287102.db2.gz SXPOZPTXEWXYBL-UHFFFAOYSA-N 1 0 296.758 2.120 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccoc2)c1 ZINC000849329948 642332912 /nfs/dbraw/zinc/33/29/12/642332912.db2.gz YVTNZYAALRVQBF-AWEZNQCLSA-N 1 0 276.292 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921687216 642513665 /nfs/dbraw/zinc/51/36/65/642513665.db2.gz ZJKURACUBADQIF-UHFFFAOYSA-N 1 0 292.314 2.093 20 5 CEBDRO O=C1CC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816584 643178709 /nfs/dbraw/zinc/17/87/09/643178709.db2.gz KOUQVJSCCQNUDT-AWEZNQCLSA-N 1 0 290.319 2.265 20 5 CEBDRO C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1(F)F ZINC000877631800 650823070 /nfs/dbraw/zinc/82/30/70/650823070.db2.gz WJFZWTDFXJIZDK-AMUVOQDHSA-N 1 0 286.282 2.130 20 5 CEBDRO CCC[C@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000922826323 643278010 /nfs/dbraw/zinc/27/80/10/643278010.db2.gz XLBDJJPGTFAQBE-LBPRGKRZSA-N 1 0 282.340 2.244 20 5 CEBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2O1 ZINC000922875915 643302919 /nfs/dbraw/zinc/30/29/19/643302919.db2.gz IUSUQGYAGKLCRC-DEZZGGKRSA-N 1 0 292.335 2.367 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494559 643314545 /nfs/dbraw/zinc/31/45/45/643314545.db2.gz DKHRMCPAQXRAPI-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000852586947 643484132 /nfs/dbraw/zinc/48/41/32/643484132.db2.gz PICBKNHHOSNJGW-TYNCELHUSA-N 1 0 294.351 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1Cl ZINC000877677632 650846736 /nfs/dbraw/zinc/84/67/36/650846736.db2.gz XSUSALOYOYUIIA-SNVBAGLBSA-N 1 0 294.685 2.354 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000877683599 650848971 /nfs/dbraw/zinc/84/89/71/650848971.db2.gz ZAWOXHKWCLRCLB-FHXAZYNBSA-N 1 0 288.347 2.150 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853125218 643668176 /nfs/dbraw/zinc/66/81/76/643668176.db2.gz NYLOYHVDBIHLTB-JSGCOSHPSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000923441279 643717911 /nfs/dbraw/zinc/71/79/11/643717911.db2.gz IYQLYTDYUAYOTE-GARJFASQSA-N 1 0 281.331 2.305 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923487690 643731266 /nfs/dbraw/zinc/73/12/66/643731266.db2.gz BFXGOUSQYVKEFS-RYUDHWBXSA-N 1 0 293.367 2.020 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518513 643748265 /nfs/dbraw/zinc/74/82/65/643748265.db2.gz LZGVWQRLDIKBSI-CMPLNLGQSA-N 1 0 295.770 2.290 20 5 CEBDRO Cc1cc(Cc2noc([C@H]3C[C@H]([NH3+])C3)n2)ccc1[N+](=O)[O-] ZINC000854142357 643997725 /nfs/dbraw/zinc/99/77/25/643997725.db2.gz KYGFWQIBEMMZQA-XYPYZODXSA-N 1 0 288.307 2.082 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000877740243 650882936 /nfs/dbraw/zinc/88/29/36/650882936.db2.gz JKAZQYJFRHPQFA-DOMZBBRYSA-N 1 0 293.342 2.260 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000788132745 644145992 /nfs/dbraw/zinc/14/59/92/644145992.db2.gz HZLHTFQKTYDGBL-GXTWGEPZSA-N 1 0 290.319 2.378 20 5 CEBDRO Cn1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000839150199 644158876 /nfs/dbraw/zinc/15/88/76/644158876.db2.gz VIISUZXGXVUHQD-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754511547 644383588 /nfs/dbraw/zinc/38/35/88/644383588.db2.gz ACTXBHDDWKKKPT-CQSZACIVSA-N 1 0 292.335 2.069 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000754572940 644393916 /nfs/dbraw/zinc/39/39/16/644393916.db2.gz ZXAAVXBJTWTFDH-CORIIIEPSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839669139 644778163 /nfs/dbraw/zinc/77/81/63/644778163.db2.gz MKCPGMSUNRDBPE-GHMZBOCLSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000757817588 644848738 /nfs/dbraw/zinc/84/87/38/644848738.db2.gz HVMBQPBJQUAGDX-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000761112972 645243789 /nfs/dbraw/zinc/24/37/89/645243789.db2.gz LUDHVVRRPVPBCJ-JQWIXIFHSA-N 1 0 286.278 2.215 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000768101069 646083642 /nfs/dbraw/zinc/08/36/42/646083642.db2.gz HBJYOLJPKUDAAD-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO C[C@H](C(=O)OCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000861389519 646169427 /nfs/dbraw/zinc/16/94/27/646169427.db2.gz OTGILYXYIICVBO-JTQLQIEISA-N 1 0 296.298 2.086 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000772986725 646692708 /nfs/dbraw/zinc/69/27/08/646692708.db2.gz CYQHHTFESVMOHG-YGRLFVJLSA-N 1 0 264.325 2.325 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863575067 646760804 /nfs/dbraw/zinc/76/08/04/646760804.db2.gz IFIDVNSXALTZSO-DZGCQCFKSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589245 647075852 /nfs/dbraw/zinc/07/58/52/647075852.db2.gz QMHGOIPTSIGZJJ-KBPBESRZSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000778092893 647199283 /nfs/dbraw/zinc/19/92/83/647199283.db2.gz GSFBBEBPWQSQHI-CYBMUJFWSA-N 1 0 294.282 2.459 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000866209885 647673911 /nfs/dbraw/zinc/67/39/11/647673911.db2.gz WYLICZDVAWUQFJ-MWLCHTKSSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000866209884 647674491 /nfs/dbraw/zinc/67/44/91/647674491.db2.gz WYLICZDVAWUQFJ-KOLCDFICSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000866213975 647675725 /nfs/dbraw/zinc/67/57/25/647675725.db2.gz FIYJRGTWVVQYDC-GXFFZTMASA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)C1 ZINC000866241061 647688808 /nfs/dbraw/zinc/68/88/08/647688808.db2.gz UWQVQGUBZXGCSD-RISCZKNCSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)CC1CC1 ZINC000866309040 647729734 /nfs/dbraw/zinc/72/97/34/647729734.db2.gz BEJKVDLGLJLBGV-IINYFYTJSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783627675 647740004 /nfs/dbraw/zinc/74/00/04/647740004.db2.gz GVXNULMCXHWMQC-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000866367968 647759723 /nfs/dbraw/zinc/75/97/23/647759723.db2.gz RZDJRVUYLSDKFW-KWBADKCTSA-N 1 0 284.331 2.414 20 5 CEBDRO CCC1(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867955331 648000541 /nfs/dbraw/zinc/00/05/41/648000541.db2.gz YBLKJBMKIWRUPO-AWEZNQCLSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868078052 648044329 /nfs/dbraw/zinc/04/43/29/648044329.db2.gz IDRZSWNUSLKGQO-OAHLLOKOSA-N 1 0 291.351 2.083 20 5 CEBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000868081207 648046243 /nfs/dbraw/zinc/04/62/43/648046243.db2.gz PWRQUZDGZNOQEC-INIZCTEOSA-N 1 0 299.330 2.311 20 5 CEBDRO CC[S@@](=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000786811446 648046634 /nfs/dbraw/zinc/04/66/34/648046634.db2.gz DBDYHBVRBRVNRP-FNUUXAGOSA-N 1 0 296.392 2.356 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C)C1 ZINC000786817418 648047692 /nfs/dbraw/zinc/04/76/92/648047692.db2.gz XNDLAQPUUAQTQL-BCNIOPEESA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586202 648205022 /nfs/dbraw/zinc/20/50/22/648205022.db2.gz ZDJFFAMNOPODTH-JTQLQIEISA-N 1 0 279.340 2.254 20 5 CEBDRO Cc1c(CNC(=O)C2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000791018195 648472527 /nfs/dbraw/zinc/47/25/27/648472527.db2.gz OOXSWTAEOLLITC-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)c1 ZINC000791963466 648590926 /nfs/dbraw/zinc/59/09/26/648590926.db2.gz KMEIUZYWAUJORL-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026487 649245213 /nfs/dbraw/zinc/24/52/13/649245213.db2.gz FJHLHZYHSMHEBH-GHMZBOCLSA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872128311 649286130 /nfs/dbraw/zinc/28/61/30/649286130.db2.gz KDHWMTGIGNGTCF-DCAQKATOSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnn1C ZINC000873013254 649530808 /nfs/dbraw/zinc/53/08/08/649530808.db2.gz YIGJATQRTZXNTH-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880300225 651419804 /nfs/dbraw/zinc/41/98/04/651419804.db2.gz PQUVUKCQLQVLMD-JTQLQIEISA-N 1 0 296.298 2.173 20 5 CEBDRO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000881824689 651894284 /nfs/dbraw/zinc/89/42/84/651894284.db2.gz QIKYJHKPFDFUOK-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NCC1CC[NH+](C2CC2)CC1 ZINC000882272046 652015754 /nfs/dbraw/zinc/01/57/54/652015754.db2.gz LZQBDGWIJSGTPW-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1 ZINC000883268957 652419219 /nfs/dbraw/zinc/41/92/19/652419219.db2.gz WZZADQYZIVAYRY-AWEZNQCLSA-N 1 0 290.319 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1C ZINC000884271510 652775876 /nfs/dbraw/zinc/77/58/76/652775876.db2.gz FZGNZTOBGGHMJD-RYUDHWBXSA-N 1 0 291.351 2.082 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000134612065 652862778 /nfs/dbraw/zinc/86/27/78/652862778.db2.gz GZSWESYGJSYKBP-JTQLQIEISA-N 1 0 288.307 2.187 20 5 CEBDRO Cc1nc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268470937 721853166 /nfs/dbraw/zinc/85/31/66/721853166.db2.gz JLJKOPOHTDGOLT-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CC(=O)Nc1cc(C)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227181556 805876001 /nfs/dbraw/zinc/87/60/01/805876001.db2.gz GFAXIDCPDBYMMV-GFCCVEGCSA-O 1 0 265.377 2.427 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000721877942 806464983 /nfs/dbraw/zinc/46/49/83/806464983.db2.gz HTQIBWFUJSIVLQ-GFCCVEGCSA-N 1 0 264.325 2.188 20 5 CEBDRO COC(=O)[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224618125 806868156 /nfs/dbraw/zinc/86/81/56/806868156.db2.gz CTLRXYLCOZAKJX-AWEZNQCLSA-N 1 0 266.361 2.014 20 5 CEBDRO CCOc1cc(-n2cccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001167595521 803177905 /nfs/dbraw/zinc/17/79/05/803177905.db2.gz CBHPJIHMUXMGDM-UHFFFAOYSA-N 1 0 261.281 2.243 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(F)cc1O[C@@H]1CCC[NH2+]C1 ZINC000310608987 803651736 /nfs/dbraw/zinc/65/17/36/803651736.db2.gz AFOBHTARANCIRQ-SSDOTTSWSA-N 1 0 258.224 2.004 20 5 CEBDRO C[NH2+]CCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167721537 803659800 /nfs/dbraw/zinc/65/98/00/803659800.db2.gz DJIJGBXKMPOVSU-UHFFFAOYSA-N 1 0 272.308 2.288 20 5 CEBDRO C[C@H](CO[C@H](C)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225159085 807162495 /nfs/dbraw/zinc/16/24/95/807162495.db2.gz NBZQZQODUXQTDH-VXGBXAGGSA-O 1 0 275.413 2.011 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000721970616 807541246 /nfs/dbraw/zinc/54/12/46/807541246.db2.gz DEXHZYOACANPPA-QMMMGPOBSA-N 1 0 293.352 2.009 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789816 807846663 /nfs/dbraw/zinc/84/66/63/807846663.db2.gz QWEXXLJWERSWEE-KWQFWETISA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120522647 815232464 /nfs/dbraw/zinc/23/24/64/815232464.db2.gz AFFHHRBMZAIDDU-SWMGHYKJSA-N 1 0 276.336 2.262 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OC[C@H]1CCCC[NH2+]C1 ZINC000700321326 809300662 /nfs/dbraw/zinc/30/06/62/809300662.db2.gz ZGSMWJHRKYYFJD-VIFPVBQESA-N 1 0 285.731 2.412 20 5 CEBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001120883129 815290714 /nfs/dbraw/zinc/29/07/14/815290714.db2.gz BFUMWJAHSHBQFF-QWHCGFSZSA-N 1 0 276.340 2.216 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000703565664 809668725 /nfs/dbraw/zinc/66/87/25/809668725.db2.gz BYVBTFVDTSXKIE-SMDDNHRTSA-N 1 0 295.770 2.290 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706545508 809835065 /nfs/dbraw/zinc/83/50/65/809835065.db2.gz YIDUHHURFVTWKW-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707130636 809880165 /nfs/dbraw/zinc/88/01/65/809880165.db2.gz KZMSPYNWGVARKF-ZDUSSCGKSA-N 1 0 282.315 2.469 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711423216 810070311 /nfs/dbraw/zinc/07/03/11/810070311.db2.gz CYPKHMHGNCAYAX-ZWNOBZJWSA-N 1 0 280.324 2.397 20 5 CEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+](C)C ZINC001163776981 810193186 /nfs/dbraw/zinc/19/31/86/810193186.db2.gz QASIPYJMXUWGKM-JTQLQIEISA-N 1 0 295.339 2.134 20 5 CEBDRO CC[C@@H](C(=O)OCc1cccnc1[N+](=O)[O-])[NH+](CC)CC ZINC001119341128 810425434 /nfs/dbraw/zinc/42/54/34/810425434.db2.gz JQNGSTDXJMNPIZ-LBPRGKRZSA-N 1 0 295.339 2.153 20 5 CEBDRO Cc1cc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122600818 815429427 /nfs/dbraw/zinc/42/94/27/815429427.db2.gz YSFDWKXHGPIRLK-TVQRCGJNSA-N 1 0 277.324 2.230 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3[C@@H]2O)C1 ZINC001168976766 811304535 /nfs/dbraw/zinc/30/45/35/811304535.db2.gz GHTGLAOXNMJHPN-JMGFVUJMSA-N 1 0 290.363 2.070 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC001168976262 811305632 /nfs/dbraw/zinc/30/56/32/811305632.db2.gz CDTLWDDZJMIHNV-MRVWCRGKSA-N 1 0 275.352 2.494 20 5 CEBDRO Cc1cccc(OCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978207 811306204 /nfs/dbraw/zinc/30/62/04/811306204.db2.gz PTWHQIUEHIOIIS-UONOGXRCSA-N 1 0 278.352 2.409 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168980616 811308096 /nfs/dbraw/zinc/30/80/96/811308096.db2.gz DZEXJRKGHZQWBZ-SYQHCUMBSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1ncn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979700 811308162 /nfs/dbraw/zinc/30/81/62/811308162.db2.gz ZLTDJZNXTYFWEK-NEPJUHHUSA-N 1 0 298.412 2.001 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982845 811310092 /nfs/dbraw/zinc/31/00/92/811310092.db2.gz JCWINVJROXVWBL-MJVIPROJSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001168956974 811312085 /nfs/dbraw/zinc/31/20/85/811312085.db2.gz DFACBCHKKCXYAE-YUMQZZPRSA-N 1 0 275.761 2.332 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001168956289 811312002 /nfs/dbraw/zinc/31/20/02/811312002.db2.gz DGZLMSHGZQIACZ-TVQRCGJNSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957499 811312337 /nfs/dbraw/zinc/31/23/37/811312337.db2.gz IISZSYJLFOMDST-DGCLKSJQSA-N 1 0 264.325 2.230 20 5 CEBDRO COC(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965878 811316707 /nfs/dbraw/zinc/31/67/07/811316707.db2.gz DDVAAYSIQDANRE-WCQYABFASA-N 1 0 292.335 2.008 20 5 CEBDRO CN(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965666 811317031 /nfs/dbraw/zinc/31/70/31/811317031.db2.gz BTGNCCHYCHTQEH-KGLIPLIRSA-N 1 0 277.368 2.158 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)nc1 ZINC001168966313 811319130 /nfs/dbraw/zinc/31/91/30/811319130.db2.gz HXQLEEHTDZYITR-SCZZXKLOSA-N 1 0 282.731 2.095 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001168970748 811319900 /nfs/dbraw/zinc/31/99/00/811319900.db2.gz IVTPLESWXAMGJG-VXGBXAGGSA-N 1 0 261.325 2.106 20 5 CEBDRO [NH3+]CCc1cccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168997118 811325793 /nfs/dbraw/zinc/32/57/93/811325793.db2.gz XUMONQVLGZKUEM-TZMCWYRMSA-N 1 0 263.341 2.045 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001168997374 811326510 /nfs/dbraw/zinc/32/65/10/811326510.db2.gz CSGJJFLCGLMQJA-NWDGAFQWSA-N 1 0 278.356 2.143 20 5 CEBDRO CC(C)(Cc1cccnc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006336 811331504 /nfs/dbraw/zinc/33/15/04/811331504.db2.gz XOIJSDGLZOIVKW-TZMCWYRMSA-N 1 0 277.368 2.438 20 5 CEBDRO CC[N@H+](Cc1ccncc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006722 811332008 /nfs/dbraw/zinc/33/20/08/811332008.db2.gz JEUHFJYXYRCGEM-UONOGXRCSA-N 1 0 263.341 2.349 20 5 CEBDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(N)n1 ZINC001169006434 811333078 /nfs/dbraw/zinc/33/30/78/811333078.db2.gz IEPIZLJIRKRIAR-TYNCELHUSA-N 1 0 292.383 2.396 20 5 CEBDRO Nc1ccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169010208 811334132 /nfs/dbraw/zinc/33/41/32/811334132.db2.gz ZVLRCCDXASIIIQ-RISCZKNCSA-N 1 0 275.352 2.293 20 5 CEBDRO CC(C)c1nc(CC[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169012002 811335396 /nfs/dbraw/zinc/33/53/96/811335396.db2.gz OMLJDEIANCXXSD-NEPJUHHUSA-N 1 0 296.371 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001169033188 811343396 /nfs/dbraw/zinc/34/33/96/811343396.db2.gz BGWPYYUMUVCNSP-VWYCJHECSA-N 1 0 262.300 2.409 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001169036074 811345425 /nfs/dbraw/zinc/34/54/25/811345425.db2.gz MWUYGHNRYYTFNT-QWHCGFSZSA-N 1 0 268.357 2.077 20 5 CEBDRO Cc1nc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)no1 ZINC001169035352 811346931 /nfs/dbraw/zinc/34/69/31/811346931.db2.gz KOECNCKJHPOYRT-DGCLKSJQSA-N 1 0 294.355 2.003 20 5 CEBDRO Cc1nnc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)o1 ZINC001169038970 811348725 /nfs/dbraw/zinc/34/87/25/811348725.db2.gz LZIHJOKIPDRVJJ-AAEUAGOBSA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2CN2CCCC2)C1 ZINC001169023807 811354407 /nfs/dbraw/zinc/35/44/07/811354407.db2.gz FJIVZHMCZAYNSQ-OWCLPIDISA-N 1 0 295.427 2.382 20 5 CEBDRO C[N@H+](CCc1ccncc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023246 811354897 /nfs/dbraw/zinc/35/48/97/811354897.db2.gz DTVKZASAYCWSTO-KBPBESRZSA-N 1 0 263.341 2.001 20 5 CEBDRO COCC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026572 811355766 /nfs/dbraw/zinc/35/57/66/811355766.db2.gz MYYCPJHDXJKOTQ-IHRRRGAJSA-N 1 0 270.373 2.323 20 5 CEBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[C@](C)(C[NH3+])C1 ZINC001169138928 811401828 /nfs/dbraw/zinc/40/18/28/811401828.db2.gz WSBRVJRXWJNZOC-YGRLFVJLSA-N 1 0 293.371 2.340 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001169232722 811447339 /nfs/dbraw/zinc/44/73/39/811447339.db2.gz JAGAHRWWTZIHFX-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169233443 811447623 /nfs/dbraw/zinc/44/76/23/811447623.db2.gz QMKZIMJPWQJPQJ-SECBINFHSA-N 1 0 276.296 2.199 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c1 ZINC001169726054 811628147 /nfs/dbraw/zinc/62/81/47/811628147.db2.gz TWOFKGPFEXVXAA-UHFFFAOYSA-N 1 0 256.265 2.326 20 5 CEBDRO CNc1cc([N+](=O)[O-])cnc1NC(C)(C)CC[NH+](C)C ZINC001169715537 811638319 /nfs/dbraw/zinc/63/83/19/811638319.db2.gz FWEGTZVYSAFXNW-UHFFFAOYSA-N 1 0 281.360 2.174 20 5 CEBDRO COc1ccc(C[C@@H](C)N(CC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001170297866 812376839 /nfs/dbraw/zinc/37/68/39/812376839.db2.gz UPCAAVUJEHNPPB-GFCCVEGCSA-N 1 0 295.383 2.204 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170319787 812388003 /nfs/dbraw/zinc/38/80/03/812388003.db2.gz ZCLIUBRAMDYRHK-VXGBXAGGSA-N 1 0 296.367 2.143 20 5 CEBDRO CCCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123575801 815533710 /nfs/dbraw/zinc/53/37/10/815533710.db2.gz ZSXVZMLJIJJYJK-UHFFFAOYSA-N 1 0 299.396 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccnn1)CC2 ZINC001172898172 815539404 /nfs/dbraw/zinc/53/94/04/815539404.db2.gz HDTOPPYJGBTTDI-CQSZACIVSA-N 1 0 298.346 2.422 20 5 CEBDRO COCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899011 815539753 /nfs/dbraw/zinc/53/97/53/815539753.db2.gz RZABWCZHGPXJSK-CYBMUJFWSA-N 1 0 264.325 2.078 20 5 CEBDRO C[C@@]1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H](O)C1 ZINC001172899715 815539908 /nfs/dbraw/zinc/53/99/08/815539908.db2.gz BYIFLTAMMZHDAH-BPUTZDHNSA-N 1 0 290.363 2.345 20 5 CEBDRO CC1(CO)C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904731 815540336 /nfs/dbraw/zinc/54/03/36/815540336.db2.gz ACKWNRGNLFYCLC-CQSZACIVSA-N 1 0 290.363 2.156 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902960 815540431 /nfs/dbraw/zinc/54/04/31/815540431.db2.gz NPLDYAKKJFEEII-SMDDNHRTSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H]1CO)CC2 ZINC001172902396 815540437 /nfs/dbraw/zinc/54/04/37/815540437.db2.gz BEHAIGUPHSHCLL-ZBFHGGJFSA-N 1 0 290.363 2.299 20 5 CEBDRO CCOCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895228 815542634 /nfs/dbraw/zinc/54/26/34/815542634.db2.gz BCBWPCLXXZTOPE-AWEZNQCLSA-N 1 0 278.352 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](CO)C1)CC2 ZINC001172910334 815558830 /nfs/dbraw/zinc/55/88/30/815558830.db2.gz LQKSSDMFFPOQAZ-DOMZBBRYSA-N 1 0 290.363 2.156 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCO2)c1F ZINC001173179224 815616787 /nfs/dbraw/zinc/61/67/87/815616787.db2.gz OJCWRBZIMZINDV-UWVGGRQHSA-N 1 0 298.314 2.052 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333032 814584052 /nfs/dbraw/zinc/58/40/52/814584052.db2.gz CEXLANJEOBHRTO-NSHDSACASA-N 1 0 279.340 2.466 20 5 CEBDRO CC/C=C(/C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124343937 815611797 /nfs/dbraw/zinc/61/17/97/815611797.db2.gz GNABNZLTTQEJTL-WMZJFQQLSA-N 1 0 297.380 2.218 20 5 CEBDRO CCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173217910 815624791 /nfs/dbraw/zinc/62/47/91/815624791.db2.gz NGQQXLBBMPMQDU-LLVKDONJSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001173219216 815624819 /nfs/dbraw/zinc/62/48/19/815624819.db2.gz ZCRXJOHHOXZQJY-QKCSRTOESA-N 1 0 264.325 2.029 20 5 CEBDRO COC(C)(C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173217918 815625076 /nfs/dbraw/zinc/62/50/76/815625076.db2.gz HKCZILFPEUOGEA-NSHDSACASA-N 1 0 282.340 2.124 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH3+])nc1 ZINC001173222636 815627693 /nfs/dbraw/zinc/62/76/93/815627693.db2.gz YIAISBNFUPYILJ-LLVKDONJSA-N 1 0 286.335 2.492 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](F)C(C)(C)O ZINC001173227606 815631701 /nfs/dbraw/zinc/63/17/01/815631701.db2.gz HFRVWKAYTWKOSO-GXFFZTMASA-N 1 0 284.331 2.224 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001173234019 815633118 /nfs/dbraw/zinc/63/31/18/815633118.db2.gz OBRLLYJKOIPWLD-QEJZJMRPSA-N 1 0 290.363 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccco1 ZINC001173212072 815635752 /nfs/dbraw/zinc/63/57/52/815635752.db2.gz WMSIKZMILZRUQZ-FZMZJTMJSA-N 1 0 290.319 2.442 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncco1 ZINC001173213085 815636599 /nfs/dbraw/zinc/63/65/99/815636599.db2.gz DPNQKUGNXHIMGR-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149434270 816773514 /nfs/dbraw/zinc/77/35/14/816773514.db2.gz BPFYCHDMFPSDEX-DTWKUNHWSA-N 1 0 284.747 2.207 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@@H]1O ZINC000601305114 346816204 /nfs/dbraw/zinc/81/62/04/346816204.db2.gz SRVKNTNYCCSOMR-DYEKYZERSA-N 1 0 262.309 2.085 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127660931 187325002 /nfs/dbraw/zinc/32/50/02/187325002.db2.gz SRPPANPRFUBOTQ-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121317566 365551630 /nfs/dbraw/zinc/55/16/30/365551630.db2.gz GTTUUIKVFCHOKY-RISCZKNCSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000127745623 187330019 /nfs/dbraw/zinc/33/00/19/187330019.db2.gz UMEICTMPPOFWGL-ZDUSSCGKSA-N 1 0 293.367 2.349 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163335 282126920 /nfs/dbraw/zinc/12/69/20/282126920.db2.gz LVXRVLXGMSFKOM-RISCZKNCSA-N 1 0 298.408 2.229 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2OCCO2)C2CC2)cc1 ZINC000125284558 187177638 /nfs/dbraw/zinc/17/76/38/187177638.db2.gz ZQXPDEQQTCEUHY-UHFFFAOYSA-N 1 0 292.335 2.322 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000037738537 361925462 /nfs/dbraw/zinc/92/54/62/361925462.db2.gz DLIMVDQKSPILIP-GHMZBOCLSA-N 1 0 250.298 2.282 20 5 CEBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080250003 344004464 /nfs/dbraw/zinc/00/44/64/344004464.db2.gz ILSLECHPEFXOQC-UHFFFAOYSA-N 1 0 279.340 2.118 20 5 CEBDRO CC1CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000040771690 361997430 /nfs/dbraw/zinc/99/74/30/361997430.db2.gz MHRDXKQLOOLHOS-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000725270124 539215056 /nfs/dbraw/zinc/21/50/56/539215056.db2.gz XTRIRKDTVKOOAI-UONOGXRCSA-N 1 0 262.309 2.109 20 5 CEBDRO CCc1ccc(C(=O)NCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000173995247 529603859 /nfs/dbraw/zinc/60/38/59/529603859.db2.gz QKVLPSTVPCHALJ-UHFFFAOYSA-N 1 0 293.367 2.229 20 5 CEBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676110 343438134 /nfs/dbraw/zinc/43/81/34/343438134.db2.gz OCDFQLYHCGJMEM-NEPJUHHUSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047146829 343512065 /nfs/dbraw/zinc/51/20/65/343512065.db2.gz PXLBVRDEVGOYNV-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000047919999 343522887 /nfs/dbraw/zinc/52/28/87/343522887.db2.gz RGORUZYRMIGWPL-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1cccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000046408459 343499004 /nfs/dbraw/zinc/49/90/04/343499004.db2.gz IZWCTWDIYLBQNP-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449547941 282279561 /nfs/dbraw/zinc/27/95/61/282279561.db2.gz ZCRFZSDACJWLBZ-MDZLAQPJSA-N 1 0 266.341 2.275 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601977610 346948023 /nfs/dbraw/zinc/94/80/23/346948023.db2.gz VLIWWAJOUDBFAJ-DRYSKOCLSA-N 1 0 274.320 2.186 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295071411 199330279 /nfs/dbraw/zinc/33/02/79/199330279.db2.gz PFRICJVJFNMFAE-VIFPVBQESA-N 1 0 258.343 2.297 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000449582447 282292172 /nfs/dbraw/zinc/29/21/72/282292172.db2.gz GGKZALGSQBJICA-LBPRGKRZSA-N 1 0 288.351 2.358 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)C ZINC000065962747 343704818 /nfs/dbraw/zinc/70/48/18/343704818.db2.gz CGXVYZWQQVIGRR-UHFFFAOYSA-N 1 0 295.339 2.130 20 5 CEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000078379667 343950364 /nfs/dbraw/zinc/95/03/64/343950364.db2.gz RKJDYWCAAUKCFR-HNNXBMFYSA-N 1 0 293.367 2.364 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449643848 282316946 /nfs/dbraw/zinc/31/69/46/282316946.db2.gz ZKGJYVOJOQYSHB-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106227 344214274 /nfs/dbraw/zinc/21/42/74/344214274.db2.gz HRRLUAMHFLXZDI-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092649513 344197559 /nfs/dbraw/zinc/19/75/59/344197559.db2.gz UCDXRLBEHPAYBV-AWEZNQCLSA-N 1 0 293.367 2.426 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452784 347039568 /nfs/dbraw/zinc/03/95/68/347039568.db2.gz IWKFIZQEEAQLND-GFCCVEGCSA-N 1 0 293.367 2.032 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128419377 344336526 /nfs/dbraw/zinc/33/65/26/344336526.db2.gz KUAZAVSLAYUZOJ-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381186 344306042 /nfs/dbraw/zinc/30/60/42/344306042.db2.gz TVOITARIADJRMT-JSGCOSHPSA-N 1 0 263.341 2.154 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134499831 344374871 /nfs/dbraw/zinc/37/48/71/344374871.db2.gz OZUHHMBZSGZCSJ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COc1ccc(CN2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000135516186 344382197 /nfs/dbraw/zinc/38/21/97/344382197.db2.gz ZOUCHANEDGBYOG-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852580 344409551 /nfs/dbraw/zinc/40/95/51/344409551.db2.gz BOWVGZMQELWCOX-ZDUSSCGKSA-N 1 0 264.325 2.330 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162443726 344467407 /nfs/dbraw/zinc/46/74/07/344467407.db2.gz SWKUDZZOYIGHLL-ZJUUUORDSA-N 1 0 297.742 2.248 20 5 CEBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170733177 344488827 /nfs/dbraw/zinc/48/88/27/344488827.db2.gz FHJIYLVQDCTDEI-LBPRGKRZSA-N 1 0 291.351 2.072 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050162398 362404965 /nfs/dbraw/zinc/40/49/65/362404965.db2.gz BVRWGEDDGHABHI-WCQYABFASA-N 1 0 291.351 2.021 20 5 CEBDRO CCOC(=O)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000050067707 362398445 /nfs/dbraw/zinc/39/84/45/362398445.db2.gz LABWXTOMYPPCMQ-UHFFFAOYSA-N 1 0 280.324 2.288 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCC(O)CC2)c1 ZINC000227635371 344556080 /nfs/dbraw/zinc/55/60/80/344556080.db2.gz NGUOYJQAQKPFJR-UHFFFAOYSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235719681 344592403 /nfs/dbraw/zinc/59/24/03/344592403.db2.gz DNAVGEUFTXITCN-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[NH2+]CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233511106 344581594 /nfs/dbraw/zinc/58/15/94/344581594.db2.gz XFKYRCCNJNHZSK-UHFFFAOYSA-N 1 0 292.261 2.420 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1OC ZINC000050373618 362417025 /nfs/dbraw/zinc/41/70/25/362417025.db2.gz UQOZTHIXOFJGKO-TZMCWYRMSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051998927 362458989 /nfs/dbraw/zinc/45/89/89/362458989.db2.gz HJKGSBHOZYWTAD-OCCSQVGLSA-N 1 0 264.325 2.296 20 5 CEBDRO C[C@@H](CO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520496 347065344 /nfs/dbraw/zinc/06/53/44/347065344.db2.gz GUFJBOKIFYACHE-MRVPVSSYSA-N 1 0 292.257 2.332 20 5 CEBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280793263 344674627 /nfs/dbraw/zinc/67/46/27/344674627.db2.gz RFUXINSUBHMDPZ-NQBHXWOUSA-N 1 0 292.335 2.397 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602517180 347064187 /nfs/dbraw/zinc/06/41/87/347064187.db2.gz XDVVNRJODSJNMH-HNNXBMFYSA-N 1 0 294.351 2.126 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C ZINC000289630007 344682253 /nfs/dbraw/zinc/68/22/53/344682253.db2.gz FCFPZLJTFPGHLY-LBPRGKRZSA-N 1 0 288.351 2.439 20 5 CEBDRO CC(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310979318 344731960 /nfs/dbraw/zinc/73/19/60/344731960.db2.gz SUGPAZDWCHCERW-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC2C[NH2+]C2)c2ccccc21 ZINC000311827678 344736410 /nfs/dbraw/zinc/73/64/10/344736410.db2.gz KYCWCMJNJKELOP-UHFFFAOYSA-N 1 0 258.277 2.346 20 5 CEBDRO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000313864020 344744038 /nfs/dbraw/zinc/74/40/38/344744038.db2.gz AUPGFUGEDDXNOI-NSHDSACASA-N 1 0 293.371 2.106 20 5 CEBDRO COCC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000314126892 344744517 /nfs/dbraw/zinc/74/45/17/344744517.db2.gz HXIZLZBZFPNEKX-UHFFFAOYSA-N 1 0 294.351 2.380 20 5 CEBDRO CCN(CC[NH3+])C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000602535491 347069555 /nfs/dbraw/zinc/06/95/55/347069555.db2.gz OFHYHCDTLXELCZ-UHFFFAOYSA-N 1 0 279.340 2.139 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602552696 347074075 /nfs/dbraw/zinc/07/40/75/347074075.db2.gz IDKVIAGUYCWWLB-RYUDHWBXSA-N 1 0 291.351 2.082 20 5 CEBDRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602573225 347083495 /nfs/dbraw/zinc/08/34/95/347083495.db2.gz ZGBLJITXTUIODD-NEPJUHHUSA-N 1 0 296.371 2.012 20 5 CEBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000585717028 345011312 /nfs/dbraw/zinc/01/13/12/345011312.db2.gz VSCJCQIRVHFNPQ-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]12 ZINC000584771364 344984824 /nfs/dbraw/zinc/98/48/24/344984824.db2.gz HLSOZARZJCKJGE-NILFDRSVSA-N 1 0 298.346 2.317 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000589496878 345084255 /nfs/dbraw/zinc/08/42/55/345084255.db2.gz VRRBRMYJCYOUBT-JTQLQIEISA-N 1 0 278.308 2.223 20 5 CEBDRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590404118 345134012 /nfs/dbraw/zinc/13/40/12/345134012.db2.gz UPIYKYUDQYTAOV-RISCZKNCSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000591442172 345255826 /nfs/dbraw/zinc/25/58/26/345255826.db2.gz LOARYVMINGKQSN-ZDUSSCGKSA-N 1 0 267.304 2.041 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591270342 345236451 /nfs/dbraw/zinc/23/64/51/345236451.db2.gz VYEWDFKEMPZSAH-GFCCVEGCSA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437341 345254035 /nfs/dbraw/zinc/25/40/35/345254035.db2.gz GNIKJBSEVLSAPM-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602578604 347086326 /nfs/dbraw/zinc/08/63/26/347086326.db2.gz OIFASLRIGCOVQP-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602578583 347086348 /nfs/dbraw/zinc/08/63/48/347086348.db2.gz OFUPANYKAATFQH-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000593028001 345425587 /nfs/dbraw/zinc/42/55/87/345425587.db2.gz ITYLGEXBTBBIEC-CQSZACIVSA-N 1 0 277.368 2.163 20 5 CEBDRO CN(C)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000097929388 232188721 /nfs/dbraw/zinc/18/87/21/232188721.db2.gz FTCAOMOLAGLRRN-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1cc(NCCC[N@@H+](C)CC(C)C)ncc1[N+](=O)[O-] ZINC000593481216 345494550 /nfs/dbraw/zinc/49/45/50/345494550.db2.gz YRBBXCLURMEILV-UHFFFAOYSA-N 1 0 280.372 2.110 20 5 CEBDRO CC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000057838792 362596423 /nfs/dbraw/zinc/59/64/23/362596423.db2.gz RADODTDHOPJBNZ-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000127436454 187305857 /nfs/dbraw/zinc/30/58/57/187305857.db2.gz XEESMOXYXHLGQY-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694996 345523577 /nfs/dbraw/zinc/52/35/77/345523577.db2.gz VRUMMEZCQWTWCN-HWPRWLFBSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000593721153 345527272 /nfs/dbraw/zinc/52/72/72/345527272.db2.gz ODEWYJWEPCWSFY-WFASDCNBSA-N 1 0 294.351 2.095 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593724415 345527802 /nfs/dbraw/zinc/52/78/02/345527802.db2.gz VRWDRKXYAHESJY-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO COC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492690 345637562 /nfs/dbraw/zinc/63/75/62/345637562.db2.gz YCXLFVCFMKOCGY-CABZTGNLSA-N 1 0 250.298 2.207 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000594501454 345639033 /nfs/dbraw/zinc/63/90/33/345639033.db2.gz WLZFEYXIFJILOE-SUNKGSAMSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000058003260 362604357 /nfs/dbraw/zinc/60/43/57/362604357.db2.gz OWMBJJLXMHGDRM-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594601267 345656781 /nfs/dbraw/zinc/65/67/81/345656781.db2.gz NDBPXIXBBBUNHV-UWVGGRQHSA-N 1 0 282.369 2.480 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594601269 345656956 /nfs/dbraw/zinc/65/69/56/345656956.db2.gz NDBPXIXBBBUNHV-ZJUUUORDSA-N 1 0 282.369 2.480 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595102762 345742967 /nfs/dbraw/zinc/74/29/67/345742967.db2.gz JIEBKJBBFXCHCU-YUSALJHKSA-N 1 0 250.298 2.077 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925118 345704059 /nfs/dbraw/zinc/70/40/59/345704059.db2.gz KSMAVCJOBREPCV-AAEUAGOBSA-N 1 0 250.298 2.252 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000594970334 345719587 /nfs/dbraw/zinc/71/95/87/345719587.db2.gz YOYJCRCSSUEUQM-HAQNSBGRSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594988009 345722736 /nfs/dbraw/zinc/72/27/36/345722736.db2.gz NOSUUQOSTKUYOL-CHWSQXEVSA-N 1 0 280.299 2.127 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000595005297 345724554 /nfs/dbraw/zinc/72/45/54/345724554.db2.gz BMVRKZZRVFGXGA-PWSUYJOCSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000595008773 345725435 /nfs/dbraw/zinc/72/54/35/345725435.db2.gz QQCPZDMYTQXRGP-GWCFXTLKSA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)O ZINC000595033697 345731430 /nfs/dbraw/zinc/73/14/30/345731430.db2.gz RZKPKSZDYPGNAM-MXWKQRLJSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000595036773 345732176 /nfs/dbraw/zinc/73/21/76/345732176.db2.gz VZPBREAOQLOXOQ-ZYHUDNBSSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000595046719 345734909 /nfs/dbraw/zinc/73/49/09/345734909.db2.gz QQQJDZZGNLGFCC-GARJFASQSA-N 1 0 280.324 2.431 20 5 CEBDRO COC[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000595059906 345736843 /nfs/dbraw/zinc/73/68/43/345736843.db2.gz ILUGFAIONVDNJS-BXUZGUMPSA-N 1 0 282.340 2.297 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000595307893 345758993 /nfs/dbraw/zinc/75/89/93/345758993.db2.gz NAHFGFPKTFHGCY-CYBMUJFWSA-N 1 0 282.315 2.471 20 5 CEBDRO Cc1noc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000595537639 345806293 /nfs/dbraw/zinc/80/62/93/345806293.db2.gz DRVBVLAFQUDRDU-UTLUCORTSA-N 1 0 251.286 2.169 20 5 CEBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000595319780 345761275 /nfs/dbraw/zinc/76/12/75/345761275.db2.gz DIODOSOHJSOCOD-UHFFFAOYSA-N 1 0 270.304 2.327 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000595343980 345765518 /nfs/dbraw/zinc/76/55/18/345765518.db2.gz QXYHLIWQRNLESX-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000595410672 345775793 /nfs/dbraw/zinc/77/57/93/345775793.db2.gz XEWUATIOOCIDJV-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000595421992 345778416 /nfs/dbraw/zinc/77/84/16/345778416.db2.gz DELKAEOZVYYBGY-NSHDSACASA-N 1 0 283.328 2.186 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CCO)CCCC2)cc1 ZINC000595509823 345799292 /nfs/dbraw/zinc/79/92/92/345799292.db2.gz WPZVCZWSCARZJY-UHFFFAOYSA-N 1 0 278.352 2.422 20 5 CEBDRO Cc1noc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1[N+](=O)[O-] ZINC000595523136 345803353 /nfs/dbraw/zinc/80/33/53/345803353.db2.gz IKZAVLIAGOFYEN-AAEUAGOBSA-N 1 0 299.371 2.270 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521795 345803564 /nfs/dbraw/zinc/80/35/64/345803564.db2.gz WMWGYEWGFKVVBG-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(F)c1 ZINC000595827006 345887444 /nfs/dbraw/zinc/88/74/44/345887444.db2.gz BVUNYYABPOEMLP-VXGBXAGGSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)c(F)cc1OC[C@@H]1CC[NH2+]C1 ZINC000097361738 185589226 /nfs/dbraw/zinc/58/92/26/185589226.db2.gz IIOVRFIJIWNPNA-SSDOTTSWSA-N 1 0 274.679 2.376 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595836657 345892917 /nfs/dbraw/zinc/89/29/17/345892917.db2.gz XXACISQVEUYYMK-CHWSQXEVSA-N 1 0 292.335 2.072 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756454 345868377 /nfs/dbraw/zinc/86/83/77/345868377.db2.gz GFULTDXRMTWBFV-IUODEOHRSA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000595811127 345881521 /nfs/dbraw/zinc/88/15/21/345881521.db2.gz STYUNYVUHPZIHM-NXEZZACHSA-N 1 0 272.308 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000595811128 345881789 /nfs/dbraw/zinc/88/17/89/345881789.db2.gz STYUNYVUHPZIHM-UWVGGRQHSA-N 1 0 272.308 2.313 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812692 345883063 /nfs/dbraw/zinc/88/30/63/345883063.db2.gz YMMLMDJLKMJACT-IJLUTSLNSA-N 1 0 289.335 2.264 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCC2CC2)CC2CC2)c1 ZINC000595871454 345903117 /nfs/dbraw/zinc/90/31/17/345903117.db2.gz OGKZTEGIISUVSQ-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000595897708 345909534 /nfs/dbraw/zinc/90/95/34/345909534.db2.gz AMSKQWHZPMNTJG-UHFFFAOYSA-N 1 0 271.748 2.417 20 5 CEBDRO CC(C)C[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596066934 345931787 /nfs/dbraw/zinc/93/17/87/345931787.db2.gz HRFAEQSBJHFIBV-UHFFFAOYSA-N 1 0 294.355 2.228 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000596091157 345938117 /nfs/dbraw/zinc/93/81/17/345938117.db2.gz WTGBPHUOHJQWBN-QMMMGPOBSA-N 1 0 253.327 2.305 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596268755 345986248 /nfs/dbraw/zinc/98/62/48/345986248.db2.gz CDARGQLTXISSOS-JTQLQIEISA-N 1 0 298.774 2.209 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC[C@H](C)[NH+](C)C ZINC000596431037 346022191 /nfs/dbraw/zinc/02/21/91/346022191.db2.gz MISBGJSHKSYYHU-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000596453882 346028028 /nfs/dbraw/zinc/02/80/28/346028028.db2.gz PYIBGEJRTFNUGC-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476334 346033000 /nfs/dbraw/zinc/03/30/00/346033000.db2.gz CUFQAPAVHSHQRJ-GFCCVEGCSA-N 1 0 290.367 2.231 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000596501801 346040141 /nfs/dbraw/zinc/04/01/41/346040141.db2.gz OYJWTUHFQIHXTC-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598343338 346332001 /nfs/dbraw/zinc/33/20/01/346332001.db2.gz VBAWUBORDBVGOE-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915118 346433474 /nfs/dbraw/zinc/43/34/74/346433474.db2.gz IEUVEQIMXKWRDE-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914522 346433478 /nfs/dbraw/zinc/43/34/78/346433478.db2.gz GVVHUJGCUYKVKY-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221416 215021834 /nfs/dbraw/zinc/02/18/34/215021834.db2.gz BCEXSVPYOHINSD-ZYHUDNBSSA-N 1 0 278.308 2.151 20 5 CEBDRO COc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598986849 346441849 /nfs/dbraw/zinc/44/18/49/346441849.db2.gz FGBYQYDIOGVEJK-XHDPSFHLSA-N 1 0 292.335 2.261 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158537014 282476222 /nfs/dbraw/zinc/47/62/22/282476222.db2.gz PXGAVPXLLBKHHP-UWVGGRQHSA-N 1 0 297.380 2.212 20 5 CEBDRO O=[N+]([O-])c1c(NCC[NH+]2CCC2)ccc2cnccc21 ZINC000599060189 346454233 /nfs/dbraw/zinc/45/42/33/346454233.db2.gz USQXNZILEYUZFF-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO C/C=C\C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599080614 346457145 /nfs/dbraw/zinc/45/71/45/346457145.db2.gz IAHVLXZMCLGQQN-BYCRGOAPSA-N 1 0 277.324 2.478 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1COC1 ZINC000599080775 346457338 /nfs/dbraw/zinc/45/73/38/346457338.db2.gz KBXIDVCHLAAFKQ-JTQLQIEISA-N 1 0 250.298 2.200 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599094173 346458972 /nfs/dbraw/zinc/45/89/72/346458972.db2.gz ZCNRQSOOGGLHQT-ZDEQEGDKSA-N 1 0 294.355 2.042 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599093136 346459216 /nfs/dbraw/zinc/45/92/16/346459216.db2.gz OVAXYOGHYJLKPC-GAFUQQFSSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc(C(=O)NC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000602599538 347094574 /nfs/dbraw/zinc/09/45/74/347094574.db2.gz ASYJKBMZXCUAJQ-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO Cc1c(CN2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599671316 346559636 /nfs/dbraw/zinc/55/96/36/346559636.db2.gz ROBXSPAOWIDGES-UHFFFAOYSA-N 1 0 295.358 2.380 20 5 CEBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599702366 346572018 /nfs/dbraw/zinc/57/20/18/346572018.db2.gz MPIHYSXNMKJQEG-OAHLLOKOSA-N 1 0 291.351 2.085 20 5 CEBDRO C[NH+](C)C/C=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493352618 290794150 /nfs/dbraw/zinc/79/41/50/290794150.db2.gz NEJBKZPKCLZRQW-JXMROGBWSA-N 1 0 291.351 2.064 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679739 346672430 /nfs/dbraw/zinc/67/24/30/346672430.db2.gz OAJFCVRHQGTVMS-DGCLKSJQSA-N 1 0 293.367 2.224 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715443 346676661 /nfs/dbraw/zinc/67/66/61/346676661.db2.gz YMCGFXBUQITJQF-NTZNESFSSA-N 1 0 293.367 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)cn1 ZINC000600787976 346690943 /nfs/dbraw/zinc/69/09/43/346690943.db2.gz BHKVHAWCWOKCLR-AWEZNQCLSA-N 1 0 285.303 2.318 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000601130051 346763262 /nfs/dbraw/zinc/76/32/62/346763262.db2.gz DDGMWLZNXGHTAW-ZYHUDNBSSA-N 1 0 294.330 2.049 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C(F)F)c(Cl)c1 ZINC000601146754 346768980 /nfs/dbraw/zinc/76/89/80/346768980.db2.gz AKGCKMJIAGQELE-JTQLQIEISA-N 1 0 294.685 2.354 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccsc1[N+](=O)[O-] ZINC000601160206 346772956 /nfs/dbraw/zinc/77/29/56/346772956.db2.gz USKWVRLTRKTDEG-JTQLQIEISA-N 1 0 287.385 2.161 20 5 CEBDRO C[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000601187881 346781311 /nfs/dbraw/zinc/78/13/11/346781311.db2.gz YTZHIDFLMMAWDJ-UHFFFAOYSA-N 1 0 289.339 2.002 20 5 CEBDRO CC(C)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602629767 347112182 /nfs/dbraw/zinc/11/21/82/347112182.db2.gz RIIHHGJFAPNBPF-NSHDSACASA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602629623 347112435 /nfs/dbraw/zinc/11/24/35/347112435.db2.gz PHQKGIDQIFJMJT-JTQLQIEISA-N 1 0 292.257 2.474 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000601229491 346796165 /nfs/dbraw/zinc/79/61/65/346796165.db2.gz RJHHULZCNQBPNF-UHFFFAOYSA-N 1 0 294.355 2.006 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602701078 347156894 /nfs/dbraw/zinc/15/68/94/347156894.db2.gz ZSEFHLKVSHXNGU-LBPRGKRZSA-N 1 0 278.356 2.340 20 5 CEBDRO CCC[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])OC ZINC000602659661 347128466 /nfs/dbraw/zinc/12/84/66/347128466.db2.gz QPACTGYJXSIVLU-GFCCVEGCSA-N 1 0 281.356 2.175 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000602803955 347205760 /nfs/dbraw/zinc/20/57/60/347205760.db2.gz HJXJQZSITITQIM-LBPRGKRZSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCCC1 ZINC000602811979 347210368 /nfs/dbraw/zinc/21/03/68/347210368.db2.gz QYHNBDVKHNUTQA-SNVBAGLBSA-N 1 0 266.345 2.268 20 5 CEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602722677 347170609 /nfs/dbraw/zinc/17/06/09/347170609.db2.gz BFMFOVDLQOIZFP-NHYWBVRUSA-N 1 0 292.335 2.226 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602730535 347175365 /nfs/dbraw/zinc/17/53/65/347175365.db2.gz OUBUTLHJAVVRDL-JGZJWPJOSA-N 1 0 291.307 2.251 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602930560 347250705 /nfs/dbraw/zinc/25/07/05/347250705.db2.gz GFLXOLUBGPZWPQ-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602932360 347251309 /nfs/dbraw/zinc/25/13/09/347251309.db2.gz VSASPUHPRPWWQK-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602881703 347237026 /nfs/dbraw/zinc/23/70/26/347237026.db2.gz YUZPUVYBOHSLPH-SECBINFHSA-N 1 0 254.334 2.243 20 5 CEBDRO CC(C)COCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962130 347257759 /nfs/dbraw/zinc/25/77/59/347257759.db2.gz HVBGSTOEYYODIC-HNNXBMFYSA-N 1 0 296.367 2.065 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000602998011 347270468 /nfs/dbraw/zinc/27/04/68/347270468.db2.gz VTMFSBPFRGPMGP-SRVKXCTJSA-N 1 0 295.339 2.017 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185821 347303336 /nfs/dbraw/zinc/30/33/36/347303336.db2.gz NZTKMMVXZZHPGD-YGRLFVJLSA-N 1 0 289.339 2.451 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203321 347308570 /nfs/dbraw/zinc/30/85/70/347308570.db2.gz NWLPXBIRWKJGLO-ZDUSSCGKSA-N 1 0 293.302 2.030 20 5 CEBDRO C[NH2+]C(C)(C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603219892 347312323 /nfs/dbraw/zinc/31/23/23/347312323.db2.gz RGRJZIQNWGUJRK-JTQLQIEISA-N 1 0 289.339 2.250 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000604433433 347415289 /nfs/dbraw/zinc/41/52/89/347415289.db2.gz YVGGQIXVFPQFNR-UHFFFAOYSA-N 1 0 290.348 2.378 20 5 CEBDRO CC[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603854265 347392499 /nfs/dbraw/zinc/39/24/99/347392499.db2.gz ZAGBXTXCJJXGNK-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000603865768 347393083 /nfs/dbraw/zinc/39/30/83/347393083.db2.gz PNLXAKFBGCAQTE-GFCCVEGCSA-N 1 0 276.340 2.054 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610431554 347681133 /nfs/dbraw/zinc/68/11/33/347681133.db2.gz IGDMUSAMULUNFN-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000610712077 347705248 /nfs/dbraw/zinc/70/52/48/347705248.db2.gz JSTCXHRFEMXKFV-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000336837276 365908234 /nfs/dbraw/zinc/90/82/34/365908234.db2.gz LWZIGVLZBKVCEK-UHFFFAOYSA-N 1 0 282.340 2.366 20 5 CEBDRO Cc1cnc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610283968 347669464 /nfs/dbraw/zinc/66/94/64/347669464.db2.gz FDEIEGDIHZJRFF-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000610283987 347669747 /nfs/dbraw/zinc/66/97/47/347669747.db2.gz MHDUKFNAVGRQCF-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CC1CC1 ZINC000611108294 347739516 /nfs/dbraw/zinc/73/95/16/347739516.db2.gz ZFVBPDZQVZNMJB-PKXJPQMGSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CSC1 ZINC000611563893 347794867 /nfs/dbraw/zinc/79/48/67/347794867.db2.gz IFXMBNDFSBJSAR-UHFFFAOYSA-N 1 0 272.757 2.496 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000086468328 179299675 /nfs/dbraw/zinc/29/96/75/179299675.db2.gz JYZMKSCTXNYKSP-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000612483459 347892020 /nfs/dbraw/zinc/89/20/20/347892020.db2.gz DUTGHEXOSVTNKD-LBPRGKRZSA-N 1 0 270.304 2.495 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCF)C2)nc1 ZINC000351872540 219233098 /nfs/dbraw/zinc/23/30/98/219233098.db2.gz DNKJLDRYKUJPEP-LLVKDONJSA-N 1 0 282.319 2.226 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000336895131 365939102 /nfs/dbraw/zinc/93/91/02/365939102.db2.gz MOJYZTUQNPBFGS-ABAIWWIYSA-N 1 0 294.351 2.244 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000613700007 348092690 /nfs/dbraw/zinc/09/26/90/348092690.db2.gz AAHWFLMBIQCWQV-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000568630704 299151272 /nfs/dbraw/zinc/15/12/72/299151272.db2.gz QHXJWRSLTGGKBU-UHFFFAOYSA-N 1 0 293.367 2.249 20 5 CEBDRO CO[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273409911 192141303 /nfs/dbraw/zinc/14/13/03/192141303.db2.gz OGCYLFPSFWPDSB-LLVKDONJSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252623 348658226 /nfs/dbraw/zinc/65/82/26/348658226.db2.gz WPJOWUZQGSGUCV-XPTSAGLGSA-N 1 0 291.307 2.393 20 5 CEBDRO Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000128977803 187402857 /nfs/dbraw/zinc/40/28/57/187402857.db2.gz OAQFKINERIIAFW-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1nc(NC2CC([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450493893 282636059 /nfs/dbraw/zinc/63/60/59/282636059.db2.gz HHZMBEBKWKIAST-UHFFFAOYSA-N 1 0 291.355 2.122 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000619726622 349230298 /nfs/dbraw/zinc/23/02/98/349230298.db2.gz SOPNFADNAJNITB-UHFFFAOYSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721703 180031472 /nfs/dbraw/zinc/03/14/72/180031472.db2.gz SQWVXWYDNQTYST-WCQYABFASA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H](O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756293 233278881 /nfs/dbraw/zinc/27/88/81/233278881.db2.gz IQCRGMJAQPYRPC-JTQLQIEISA-N 1 0 252.314 2.190 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996090 233312615 /nfs/dbraw/zinc/31/26/15/233312615.db2.gz RIRKPWYDIGRTNG-OUCADQQQSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412046721 233323903 /nfs/dbraw/zinc/32/39/03/233323903.db2.gz RJYBNWXBKKBBFR-MISXGVKJSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000412069621 233330025 /nfs/dbraw/zinc/33/00/25/233330025.db2.gz FVAOVTCWTNWAMS-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093432 233336436 /nfs/dbraw/zinc/33/64/36/233336436.db2.gz RTHWCYYMQRLSLG-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412095726 233338816 /nfs/dbraw/zinc/33/88/16/233338816.db2.gz TYHRPOSGXRYLRP-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000104954364 186033879 /nfs/dbraw/zinc/03/38/79/186033879.db2.gz COQBZXDFRMOKRZ-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000091957419 180292050 /nfs/dbraw/zinc/29/20/50/180292050.db2.gz FVOJYHGHQXJQFG-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091985683 180298893 /nfs/dbraw/zinc/29/88/93/180298893.db2.gz JLYMAKVMDDXTMR-NSHDSACASA-N 1 0 280.324 2.144 20 5 CEBDRO C[NH+]1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352178933 219347746 /nfs/dbraw/zinc/34/77/46/219347746.db2.gz SOCUMEKMWWOKQB-UHFFFAOYSA-N 1 0 281.287 2.014 20 5 CEBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092380044 180372136 /nfs/dbraw/zinc/37/21/36/180372136.db2.gz ANESVCYLLRMYDR-UHFFFAOYSA-N 1 0 280.324 2.288 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000106865393 186144970 /nfs/dbraw/zinc/14/49/70/186144970.db2.gz OIURQITXYLLJOH-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000092395321 180377014 /nfs/dbraw/zinc/37/70/14/180377014.db2.gz DGTRTCRGCSJSIT-GFCCVEGCSA-N 1 0 272.732 2.355 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111829511 186460805 /nfs/dbraw/zinc/46/08/05/186460805.db2.gz FTWAOXQDGGEJAV-VIFPVBQESA-N 1 0 299.758 2.351 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000070149029 363036693 /nfs/dbraw/zinc/03/66/93/363036693.db2.gz KECPEOVNCSDFDT-NSHDSACASA-N 1 0 295.314 2.077 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131504041 366059894 /nfs/dbraw/zinc/05/98/94/366059894.db2.gz WVEPGYFLCIRLGH-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123192947 187077027 /nfs/dbraw/zinc/07/70/27/187077027.db2.gz SXTOKOMDMVRIAS-SWLSCSKDSA-N 1 0 294.351 2.359 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271528122 191193664 /nfs/dbraw/zinc/19/36/64/191193664.db2.gz PHNSWRLROAZPOS-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000271588774 191227849 /nfs/dbraw/zinc/22/78/49/191227849.db2.gz SUTKMSGCTVSCPQ-GHMZBOCLSA-N 1 0 252.318 2.054 20 5 CEBDRO CCOc1cc(C[N@H+](CC)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000292237368 198213608 /nfs/dbraw/zinc/21/36/08/198213608.db2.gz PZYFNKCHMSXCLQ-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152549087 188028360 /nfs/dbraw/zinc/02/83/60/188028360.db2.gz VNAYQBQHMPCFIQ-DGCLKSJQSA-N 1 0 264.325 2.330 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889345 188109976 /nfs/dbraw/zinc/10/99/76/188109976.db2.gz GOQBRZOWIKUVHM-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)CO ZINC000295174935 199387984 /nfs/dbraw/zinc/38/79/84/199387984.db2.gz HEGYRDPRWMKPIE-UHFFFAOYSA-N 1 0 282.340 2.054 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2=CCCOC2)c1 ZINC000157984650 188350561 /nfs/dbraw/zinc/35/05/61/188350561.db2.gz ZYJVMIDIZMIIPO-UHFFFAOYSA-N 1 0 262.309 2.074 20 5 CEBDRO CC1CC[NH+](CCn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000158570831 188382473 /nfs/dbraw/zinc/38/24/73/188382473.db2.gz YLPNBEQURCCTHW-UHFFFAOYSA-N 1 0 299.758 2.142 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292733096 198392801 /nfs/dbraw/zinc/39/28/01/198392801.db2.gz GNIJVGWRTDEUAA-FZMZJTMJSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073780203 363249611 /nfs/dbraw/zinc/24/96/11/363249611.db2.gz SAYWWHBNDOMNFE-RISCZKNCSA-N 1 0 294.351 2.065 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000162808742 188591280 /nfs/dbraw/zinc/59/12/80/188591280.db2.gz FNZQDKNZHOOVTA-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451502031 283013102 /nfs/dbraw/zinc/01/31/02/283013102.db2.gz PHBPKLLOYLZRMR-KBPBESRZSA-N 1 0 294.351 2.377 20 5 CEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941444 366183040 /nfs/dbraw/zinc/18/30/40/366183040.db2.gz GSUGUNHJPYRUPL-XUJVJEKNSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000133422183 366222678 /nfs/dbraw/zinc/22/26/78/366222678.db2.gz PHZQFURQKCVFDM-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295739024 199642019 /nfs/dbraw/zinc/64/20/19/199642019.db2.gz ORXNUHHJCSQNNT-PWSUYJOCSA-N 1 0 266.366 2.478 20 5 CEBDRO CC1(C)COC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451815245 283114526 /nfs/dbraw/zinc/11/45/26/283114526.db2.gz YQZFAFCUNYYVBD-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451932817 283146344 /nfs/dbraw/zinc/14/63/44/283146344.db2.gz DUGAHBMZPNRZPE-MPKXVKKWSA-N 1 0 280.324 2.049 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@]2(CCSC2)C1 ZINC000451978784 283155491 /nfs/dbraw/zinc/15/54/91/283155491.db2.gz POCMANOXFQBWMN-CYBMUJFWSA-N 1 0 296.396 2.047 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000452003381 283159446 /nfs/dbraw/zinc/15/94/46/283159446.db2.gz GHQIMAPQDYQJCU-SNVBAGLBSA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452117402 283193134 /nfs/dbraw/zinc/19/31/34/283193134.db2.gz CXIZNQVBPXAKRX-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452133996 283199574 /nfs/dbraw/zinc/19/95/74/283199574.db2.gz TWHOPLHLHPGXLE-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CCOc1cccc(NC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134908066 366370909 /nfs/dbraw/zinc/37/09/09/366370909.db2.gz KPIJMNDBJVUMMX-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CC[NH+]1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000134908717 366372461 /nfs/dbraw/zinc/37/24/61/366372461.db2.gz OXUNIFSTSCPRQK-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000414653365 236433344 /nfs/dbraw/zinc/43/33/44/236433344.db2.gz FEEWDTWJMSAPKW-LBPRGKRZSA-N 1 0 292.339 2.165 20 5 CEBDRO CC(C)(CO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294729521 199155691 /nfs/dbraw/zinc/15/56/91/199155691.db2.gz GGWGAXDXEPFVPN-UHFFFAOYSA-N 1 0 258.343 2.155 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000135259727 366417604 /nfs/dbraw/zinc/41/76/04/366417604.db2.gz WIFQPLGASFALIV-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO CC[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000135425542 366437638 /nfs/dbraw/zinc/43/76/38/366437638.db2.gz SMOXKPGPQQSCIT-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468418 366444390 /nfs/dbraw/zinc/44/43/90/366444390.db2.gz MQXBIYOUKNYPRW-AXFHLTTASA-N 1 0 252.314 2.262 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000338770076 366515163 /nfs/dbraw/zinc/51/51/63/366515163.db2.gz ZHJQWVREICQVIL-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)c1 ZINC000136301461 366507547 /nfs/dbraw/zinc/50/75/47/366507547.db2.gz WAFRGESWKVHWCR-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577111 216018688 /nfs/dbraw/zinc/01/86/88/216018688.db2.gz BSZXMKYYOVCTIW-LBPRGKRZSA-N 1 0 279.340 2.021 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418133789 237316029 /nfs/dbraw/zinc/31/60/29/237316029.db2.gz LHRIJCNLWPVYRL-LBPRGKRZSA-N 1 0 299.321 2.332 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000262736298 291194295 /nfs/dbraw/zinc/19/42/95/291194295.db2.gz CPNWGTXWDLWNGO-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000453101030 283472870 /nfs/dbraw/zinc/47/28/70/283472870.db2.gz YCYPFHOYVWZFOF-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253343 366588270 /nfs/dbraw/zinc/58/82/70/366588270.db2.gz JPMIMBIUIKSICX-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484727 366589270 /nfs/dbraw/zinc/58/92/70/366589270.db2.gz KYRCECLEBXAOLL-NHCYSSNCSA-N 1 0 250.298 2.423 20 5 CEBDRO CCc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000236963137 370666622 /nfs/dbraw/zinc/66/66/22/370666622.db2.gz MFAWZKRNABKHRC-UHFFFAOYSA-N 1 0 293.367 2.405 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178361832 189110237 /nfs/dbraw/zinc/11/02/37/189110237.db2.gz XOZHTLCYXSJNEN-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO COCCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178632390 189132373 /nfs/dbraw/zinc/13/23/73/189132373.db2.gz QGQIYSFMXAUWNB-GFCCVEGCSA-N 1 0 282.340 2.217 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000342219904 216266802 /nfs/dbraw/zinc/26/68/02/216266802.db2.gz SCMMDFGVYPWLKJ-DYLGSBMWSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1c(NC(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000180604787 189265049 /nfs/dbraw/zinc/26/50/49/189265049.db2.gz UHJGTOMCRXQJBY-UHFFFAOYSA-N 1 0 292.339 2.073 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000339571494 366707104 /nfs/dbraw/zinc/70/71/04/366707104.db2.gz KHOXMVSEXOUDAQ-ZJUUUORDSA-N 1 0 250.298 2.444 20 5 CEBDRO COC[C@H](C)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000579781577 366699471 /nfs/dbraw/zinc/69/94/71/366699471.db2.gz RJAUSWYKCUDALU-LLVKDONJSA-N 1 0 280.324 2.072 20 5 CEBDRO CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000237017491 370679554 /nfs/dbraw/zinc/67/95/54/370679554.db2.gz DVEVNAPOTTXFAP-GWCFXTLKSA-N 1 0 279.340 2.018 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182226675 189317687 /nfs/dbraw/zinc/31/76/87/189317687.db2.gz CECHDQWGRVIKPP-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000154054409 366753989 /nfs/dbraw/zinc/75/39/89/366753989.db2.gz LCWMOAGRFRLVQD-OAHLLOKOSA-N 1 0 276.336 2.250 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018178753 361517074 /nfs/dbraw/zinc/51/70/74/361517074.db2.gz IFUCZFGWYWRKOU-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302204365 201394835 /nfs/dbraw/zinc/39/48/35/201394835.db2.gz CLIADTDFFQTAGR-LBPRGKRZSA-N 1 0 293.371 2.307 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000088147769 363879235 /nfs/dbraw/zinc/87/92/35/363879235.db2.gz NWPIJQMPOYNYBJ-NSHDSACASA-N 1 0 279.340 2.006 20 5 CEBDRO CC(C)n1ncnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000088590066 363909846 /nfs/dbraw/zinc/90/98/46/363909846.db2.gz ZCGNPZHGOMYDRD-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089453039 363968270 /nfs/dbraw/zinc/96/82/70/363968270.db2.gz HANGERIMAUJYIZ-GHMZBOCLSA-N 1 0 277.324 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237777804 370750759 /nfs/dbraw/zinc/75/07/59/370750759.db2.gz GTPCIVOKBNNRKX-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237907355 370758998 /nfs/dbraw/zinc/75/89/98/370758998.db2.gz YHVHJDSEAVCTKR-HNNXBMFYSA-N 1 0 297.314 2.248 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000093873247 364236799 /nfs/dbraw/zinc/23/67/99/364236799.db2.gz UYQLRJCJPYIMFD-RMKNXTFCSA-N 1 0 291.351 2.051 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771841 364293612 /nfs/dbraw/zinc/29/36/12/364293612.db2.gz PSCGSSSSJGLMJS-JTQLQIEISA-N 1 0 289.339 2.225 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1F ZINC000094774533 364295160 /nfs/dbraw/zinc/29/51/60/364295160.db2.gz GTHFYJYIGJZQED-UHFFFAOYSA-N 1 0 293.342 2.262 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097439287 364500702 /nfs/dbraw/zinc/50/07/02/364500702.db2.gz CDQIADIPEPSYFU-MNOVXSKESA-N 1 0 252.314 2.264 20 5 CEBDRO CCN(CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000101932005 364579237 /nfs/dbraw/zinc/57/92/37/364579237.db2.gz PLRPVONMTQKMTH-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111829411 364762584 /nfs/dbraw/zinc/76/25/84/364762584.db2.gz QLNDYBRBWYTKID-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113364491 364890455 /nfs/dbraw/zinc/89/04/55/364890455.db2.gz MTSYSKOMYGMXMJ-LLVKDONJSA-N 1 0 292.339 2.010 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000340436747 366882102 /nfs/dbraw/zinc/88/21/02/366882102.db2.gz PFTZKDYNISGIGR-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO CC(C)NC(=O)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000120244821 365395704 /nfs/dbraw/zinc/39/57/04/365395704.db2.gz NXZDUTOTSZKBGA-SOFGYWHQSA-N 1 0 291.351 2.064 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000275748889 193118493 /nfs/dbraw/zinc/11/84/93/193118493.db2.gz CUAJOYCPJQLHIK-GFCCVEGCSA-N 1 0 278.308 2.386 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000275852813 193147179 /nfs/dbraw/zinc/14/71/79/193147179.db2.gz IEERMGCXFBLJTL-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO COC(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000160681678 367027269 /nfs/dbraw/zinc/02/72/69/367027269.db2.gz YTANHIMRAFMEGK-UHFFFAOYSA-N 1 0 282.340 2.424 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000583799028 367098262 /nfs/dbraw/zinc/09/82/62/367098262.db2.gz DTARAHBHWTZVKO-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100072 367172343 /nfs/dbraw/zinc/17/23/43/367172343.db2.gz KUEREHKJLOIJFP-TXEJJXNPSA-N 1 0 278.356 2.087 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000590569921 367198166 /nfs/dbraw/zinc/19/81/66/367198166.db2.gz UWZKMUGEVHQKDW-MWLCHTKSSA-N 1 0 267.304 2.263 20 5 CEBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000341288119 367270522 /nfs/dbraw/zinc/27/05/22/367270522.db2.gz ZNZXZPAQOMFOSR-OCCSQVGLSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638790 367356831 /nfs/dbraw/zinc/35/68/31/367356831.db2.gz NKGBYYITPMPSHO-GHMZBOCLSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774483 367412526 /nfs/dbraw/zinc/41/25/26/367412526.db2.gz YLYJOPJEKMJBNU-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275893264 193157466 /nfs/dbraw/zinc/15/74/66/193157466.db2.gz QPGFIUJGJNSUIN-MQMHXKEQSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173049440 367863974 /nfs/dbraw/zinc/86/39/74/367863974.db2.gz HINKURNXCMQJBC-LLVKDONJSA-N 1 0 293.367 2.301 20 5 CEBDRO COc1ccc(C[N@H+](C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000172774273 367816512 /nfs/dbraw/zinc/81/65/12/367816512.db2.gz SOJPNQFDNLPYIP-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421460 367908999 /nfs/dbraw/zinc/90/89/99/367908999.db2.gz QWXWHQVJFILBSM-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000174640893 368050226 /nfs/dbraw/zinc/05/02/26/368050226.db2.gz XMXMZEITWZMGRX-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@H](c1ccco1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174835469 368071397 /nfs/dbraw/zinc/07/13/97/368071397.db2.gz XPQSXHBGZVWNQC-SNVBAGLBSA-N 1 0 264.285 2.077 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000176193200 368210048 /nfs/dbraw/zinc/21/00/48/368210048.db2.gz CLHQKLCCVFEELM-VIFPVBQESA-N 1 0 292.261 2.066 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000176201041 368211519 /nfs/dbraw/zinc/21/15/19/368211519.db2.gz UKUCKUAATZKDCI-UHFFFAOYSA-N 1 0 286.335 2.460 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000181484608 368462559 /nfs/dbraw/zinc/46/25/59/368462559.db2.gz GRYBHZKQTNWQFP-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345942960 368490334 /nfs/dbraw/zinc/49/03/34/368490334.db2.gz FIFZHDXYCKLGEO-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346663955 368758655 /nfs/dbraw/zinc/75/86/55/368758655.db2.gz XJHVVEOWUDSRKY-LLVKDONJSA-N 1 0 287.319 2.388 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185813747 368866338 /nfs/dbraw/zinc/86/63/38/368866338.db2.gz TUKCFGGSGWPXAH-PBKGFPTLSA-N 1 0 256.327 2.073 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187317889 369137952 /nfs/dbraw/zinc/13/79/52/369137952.db2.gz VMEQZBTXINHNGU-MGPQQGTHSA-N 1 0 262.309 2.252 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000348834866 369173517 /nfs/dbraw/zinc/17/35/17/369173517.db2.gz QZMTXNYTQOPPAM-NSHDSACASA-N 1 0 252.314 2.370 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CO ZINC000349274515 369286640 /nfs/dbraw/zinc/28/66/40/369286640.db2.gz GADPSYBCQKZTIL-VNKGSWCUSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187991632 369270866 /nfs/dbraw/zinc/27/08/66/369270866.db2.gz VVWLSXJVJKYLMA-LLVKDONJSA-N 1 0 291.351 2.316 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000276098112 193213556 /nfs/dbraw/zinc/21/35/56/193213556.db2.gz YQQNRSCZWDAHSY-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000349791212 369402011 /nfs/dbraw/zinc/40/20/11/369402011.db2.gz OSRVRCGUFBFGGN-KXMPLOMGSA-N 1 0 268.288 2.151 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188850203 369419590 /nfs/dbraw/zinc/41/95/90/369419590.db2.gz SQDYMKBYJHFPAS-FZMZJTMJSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000189011455 369442877 /nfs/dbraw/zinc/44/28/77/369442877.db2.gz ZKWJRVNYAUJBML-MNOVXSKESA-N 1 0 279.340 2.031 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000349962180 369467151 /nfs/dbraw/zinc/46/71/51/369467151.db2.gz HNIFJVIQUIWMTO-AWEZNQCLSA-N 1 0 296.392 2.203 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000349988419 369478034 /nfs/dbraw/zinc/47/80/34/369478034.db2.gz BGXBGLZRVLBEBR-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000276160840 193229698 /nfs/dbraw/zinc/22/96/98/193229698.db2.gz PZEMNXVPVBHJKL-UHFFFAOYSA-N 1 0 270.308 2.068 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000276186209 193236711 /nfs/dbraw/zinc/23/67/11/193236711.db2.gz IBHPUQNRGCHIBF-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CO[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189311780 369496087 /nfs/dbraw/zinc/49/60/87/369496087.db2.gz BZQLIMIQRMIUQC-WFASDCNBSA-N 1 0 278.352 2.494 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCOC1 ZINC000276355359 193297629 /nfs/dbraw/zinc/29/76/29/193297629.db2.gz XICSWKKPMWNCSM-NSHDSACASA-N 1 0 268.288 2.202 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190054364 369592445 /nfs/dbraw/zinc/59/24/45/369592445.db2.gz LEXFWUZYCVEIRW-BXUZGUMPSA-N 1 0 264.325 2.106 20 5 CEBDRO CCCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000352414545 369720154 /nfs/dbraw/zinc/72/01/54/369720154.db2.gz IEDDWZRZZMVABU-NSHDSACASA-N 1 0 254.334 2.302 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187187 369690123 /nfs/dbraw/zinc/69/01/23/369690123.db2.gz WWHKPKKRZMQBOP-ONXXMXGDSA-N 1 0 294.351 2.207 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000191821340 369746022 /nfs/dbraw/zinc/74/60/22/369746022.db2.gz RWODQTORMUVACP-FZMZJTMJSA-N 1 0 292.335 2.226 20 5 CEBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000192464682 369816535 /nfs/dbraw/zinc/81/65/35/369816535.db2.gz UEAWDBAOGWPCMQ-QMMMGPOBSA-N 1 0 272.374 2.440 20 5 CEBDRO CC[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+]1CCCC1 ZINC000192495066 369820288 /nfs/dbraw/zinc/82/02/88/369820288.db2.gz SVWHIFAOFFCFKA-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1ccnc1)CCC2 ZINC000192604397 369833927 /nfs/dbraw/zinc/83/39/27/369833927.db2.gz FXGLOBIEUGANHS-OAHLLOKOSA-N 1 0 286.335 2.459 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000352561246 369785983 /nfs/dbraw/zinc/78/59/83/369785983.db2.gz GUKWZKWPWQWFNP-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1cc(C[N@H+](C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000352781128 369876978 /nfs/dbraw/zinc/87/69/78/369876978.db2.gz XKQSVWZIDRNZPJ-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193384623 369936352 /nfs/dbraw/zinc/93/63/52/369936352.db2.gz IHDQXQYTVMIWDP-LLVKDONJSA-N 1 0 278.356 2.463 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000353122652 370026614 /nfs/dbraw/zinc/02/66/14/370026614.db2.gz VQINDJJRVKYDFI-SCZZXKLOSA-N 1 0 266.297 2.197 20 5 CEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000198228973 370147355 /nfs/dbraw/zinc/14/73/55/370147355.db2.gz QKTOBFQVDOZQAW-UHFFFAOYSA-N 1 0 291.351 2.197 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059798 370218208 /nfs/dbraw/zinc/21/82/08/370218208.db2.gz VWOIIBJESNFCEP-GXFFZTMASA-N 1 0 284.381 2.105 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000223071519 370261492 /nfs/dbraw/zinc/26/14/92/370261492.db2.gz DLKSLNADTLEGGV-ZYHUDNBSSA-N 1 0 280.324 2.261 20 5 CEBDRO CCC[C@@H]([NH2+][C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958949 370275091 /nfs/dbraw/zinc/27/50/91/370275091.db2.gz AYXHLXCULMLOOG-UKRRQHHQSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000228593053 370407857 /nfs/dbraw/zinc/40/78/57/370407857.db2.gz DMOLBLVEXZXUTJ-DGCLKSJQSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898803 370468494 /nfs/dbraw/zinc/46/84/94/370468494.db2.gz LGJNKFUNZUXDFB-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000287303869 376201103 /nfs/dbraw/zinc/20/11/03/376201103.db2.gz JDZLUOWDZOPVIG-SNVBAGLBSA-N 1 0 270.304 2.327 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000232977899 370515856 /nfs/dbraw/zinc/51/58/56/370515856.db2.gz PBRQZIQYWNMIGF-ZDUSSCGKSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)(CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000231404028 370479622 /nfs/dbraw/zinc/47/96/22/370479622.db2.gz OALQHBRGDCKMKI-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000231885773 370497742 /nfs/dbraw/zinc/49/77/42/370497742.db2.gz XIZARWVPNVVHEK-AWEZNQCLSA-N 1 0 296.367 2.026 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234394223 370534543 /nfs/dbraw/zinc/53/45/43/370534543.db2.gz XODWJAVQEBIEHI-ZETCQYMHSA-N 1 0 259.256 2.140 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCCSC2)cc1 ZINC000355539346 370593042 /nfs/dbraw/zinc/59/30/42/370593042.db2.gz ATZSUAAUNFJOGM-CQSZACIVSA-N 1 0 296.392 2.285 20 5 CEBDRO Cc1cnc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000235924952 370580861 /nfs/dbraw/zinc/58/08/61/370580861.db2.gz HRKZGBPGJYVYTQ-LBPRGKRZSA-N 1 0 278.356 2.488 20 5 CEBDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248450750 371198158 /nfs/dbraw/zinc/19/81/58/371198158.db2.gz ISZPEHHYIGGDEW-QWHCGFSZSA-N 1 0 296.367 2.312 20 5 CEBDRO C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252199004 371434430 /nfs/dbraw/zinc/43/44/30/371434430.db2.gz SWMHYYJKPSWCFU-RISCZKNCSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252199003 371434973 /nfs/dbraw/zinc/43/49/73/371434973.db2.gz SWMHYYJKPSWCFU-FZMZJTMJSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189742 371501031 /nfs/dbraw/zinc/50/10/31/371501031.db2.gz KOAYSSVQIBDGEN-DGCLKSJQSA-N 1 0 263.341 2.012 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359923529 371494500 /nfs/dbraw/zinc/49/45/00/371494500.db2.gz KVUDXMKKLYOCQV-CABZTGNLSA-N 1 0 288.307 2.310 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360996283 371588937 /nfs/dbraw/zinc/58/89/37/371588937.db2.gz RNOXFGBZOKLUPI-ZYHUDNBSSA-N 1 0 295.387 2.039 20 5 CEBDRO COc1cc(C[NH2+]CCCCF)c([N+](=O)[O-])cc1O ZINC000361064515 371631243 /nfs/dbraw/zinc/63/12/43/371631243.db2.gz FANDHVZIYRDTOU-UHFFFAOYSA-N 1 0 272.276 2.148 20 5 CEBDRO CC1(C)[C@@H](O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361080789 371640576 /nfs/dbraw/zinc/64/05/76/371640576.db2.gz MBYWSRNMNGSCCY-VSKVDJIOSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261712653 371708881 /nfs/dbraw/zinc/70/88/81/371708881.db2.gz JNTHPABOQKNFSC-KYOSRNDESA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261711788 371709079 /nfs/dbraw/zinc/70/90/79/371709079.db2.gz DOPQEVOURGFNIC-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644124 371689936 /nfs/dbraw/zinc/68/99/36/371689936.db2.gz CQEOPOHMBBPQQP-WDEREUQCSA-N 1 0 281.331 2.293 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344126603 217063396 /nfs/dbraw/zinc/06/33/96/217063396.db2.gz IZUJSCHQBBRMRX-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccnc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000265162327 372016197 /nfs/dbraw/zinc/01/61/97/372016197.db2.gz FFOUSRIZVCOJRE-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327130 217152277 /nfs/dbraw/zinc/15/22/77/217152277.db2.gz JIEGHMWVPWCXHK-HZMBPMFUSA-N 1 0 281.331 2.306 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)CCC1 ZINC000344365566 217170760 /nfs/dbraw/zinc/17/07/60/217170760.db2.gz IVFCUYKGBJVHEF-UTCJRWHESA-N 1 0 262.309 2.113 20 5 CEBDRO CC[C@@H]1CN(CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665255 372478806 /nfs/dbraw/zinc/47/88/06/372478806.db2.gz OFUGVGUZGCXMBP-GFCCVEGCSA-N 1 0 279.340 2.118 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269613815 372506132 /nfs/dbraw/zinc/50/61/32/372506132.db2.gz FVDCKEAXSQQRLB-SECBINFHSA-N 1 0 285.294 2.261 20 5 CEBDRO CC(C)OCCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644445 372515858 /nfs/dbraw/zinc/51/58/58/372515858.db2.gz KHXIZAFYBUESNY-OAHLLOKOSA-N 1 0 296.367 2.375 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868995 372582982 /nfs/dbraw/zinc/58/29/82/372582982.db2.gz YDSHJYKIQMTJKE-JQWIXIFHSA-N 1 0 282.315 2.469 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000270066270 372654463 /nfs/dbraw/zinc/65/44/63/372654463.db2.gz HRRFFMATWHUJHT-HIFRSBDPSA-N 1 0 278.352 2.230 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000270594696 372858178 /nfs/dbraw/zinc/85/81/78/372858178.db2.gz WOTTVKMFHASXJO-UHFFFAOYSA-N 1 0 280.328 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365553922 372890202 /nfs/dbraw/zinc/89/02/02/372890202.db2.gz CTASBQFDBDILCD-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000270651151 372884258 /nfs/dbraw/zinc/88/42/58/372884258.db2.gz LVIUXZFMGDGKRW-ZIAGYGMSSA-N 1 0 295.408 2.072 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC1 ZINC000344811666 217319671 /nfs/dbraw/zinc/31/96/71/217319671.db2.gz MKYKACUTAUZNEU-SVTZGKHISA-N 1 0 262.309 2.377 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[S@@](C)=O ZINC000344849999 217332149 /nfs/dbraw/zinc/33/21/49/217332149.db2.gz HABNPLQMQPCLJF-RGFVMQALSA-N 1 0 296.392 2.356 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCCCC[C@H]32)n1 ZINC000369454106 373419484 /nfs/dbraw/zinc/41/94/84/373419484.db2.gz YAPASJIMRWHUTR-CHWSQXEVSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272515625 373527104 /nfs/dbraw/zinc/52/71/04/373527104.db2.gz GTRMKUMYXLAOKE-NTZNESFSSA-N 1 0 264.325 2.359 20 5 CEBDRO COC[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000272648140 373598987 /nfs/dbraw/zinc/59/89/87/373598987.db2.gz DUIYFCPDZHXXPK-TZMCWYRMSA-N 1 0 296.367 2.167 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(F)c1 ZINC000275057920 374141901 /nfs/dbraw/zinc/14/19/01/374141901.db2.gz NZOJMAATBUMUMO-HZMBPMFUSA-N 1 0 282.315 2.375 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373315174 374325920 /nfs/dbraw/zinc/32/59/20/374325920.db2.gz CELBJAIOVCAJNE-LLCTXKFZSA-N 1 0 288.347 2.455 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276954649 374357355 /nfs/dbraw/zinc/35/73/55/374357355.db2.gz USJBYJJZEWRLHZ-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964000 374361487 /nfs/dbraw/zinc/36/14/87/374361487.db2.gz VVLZTNPWQGWLBZ-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)(C)OCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586346 374385913 /nfs/dbraw/zinc/38/59/13/374385913.db2.gz SFWSUETUZKLNPB-LBPRGKRZSA-N 1 0 296.371 2.243 20 5 CEBDRO Cc1nc(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000374990759 374639392 /nfs/dbraw/zinc/63/93/92/374639392.db2.gz UYWHUVRXFVTTAH-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000277966573 374695291 /nfs/dbraw/zinc/69/52/91/374695291.db2.gz SJSGRZMPSLMHLL-ZANVPECISA-N 1 0 268.288 2.249 20 5 CEBDRO NC(=O)c1ccc(C[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000376797872 374738140 /nfs/dbraw/zinc/73/81/40/374738140.db2.gz BHUYJCALFPPKFB-UHFFFAOYSA-N 1 0 289.335 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]2CCC1CC2 ZINC000377715033 374932537 /nfs/dbraw/zinc/93/25/37/374932537.db2.gz JHPOGLBDDBXXIZ-UHFFFAOYSA-N 1 0 275.352 2.183 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000378528391 375123432 /nfs/dbraw/zinc/12/34/32/375123432.db2.gz SYTJIRZAQFIDCS-ZBFHGGJFSA-N 1 0 289.379 2.429 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385608756 375236671 /nfs/dbraw/zinc/23/66/71/375236671.db2.gz DYYOTCAZRFZAFU-UKRRQHHQSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762223 375242160 /nfs/dbraw/zinc/24/21/60/375242160.db2.gz XVKSEZWEVGSOQY-BXUZGUMPSA-N 1 0 282.315 2.327 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762226 375243578 /nfs/dbraw/zinc/24/35/78/375243578.db2.gz XVKSEZWEVGSOQY-SMDDNHRTSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000282115363 375406737 /nfs/dbraw/zinc/40/67/37/375406737.db2.gz FBVMLSTUPOYFIM-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282214335 375431538 /nfs/dbraw/zinc/43/15/38/375431538.db2.gz DMSMXZWMVHYAEW-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H](CO)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282789075 375574731 /nfs/dbraw/zinc/57/47/31/375574731.db2.gz NLBIRPXJJXPLHH-JTQLQIEISA-N 1 0 291.307 2.062 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254608 375681441 /nfs/dbraw/zinc/68/14/41/375681441.db2.gz VQCLZXRIKLTHCK-MFKMUULPSA-N 1 0 282.315 2.469 20 5 CEBDRO CC[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000286219123 375876704 /nfs/dbraw/zinc/87/67/04/375876704.db2.gz CXDXOJDHFBBPEH-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286244357 375882885 /nfs/dbraw/zinc/88/28/85/375882885.db2.gz DMSUXBRKVDNQID-ULKQDVFKSA-N 1 0 282.369 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000414649636 375899243 /nfs/dbraw/zinc/89/92/43/375899243.db2.gz AEICMJOVEJNOAL-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347477 375921470 /nfs/dbraw/zinc/92/14/70/375921470.db2.gz XQWMOKGMMXOVLB-RISCZKNCSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1c(NC(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414699065 375927121 /nfs/dbraw/zinc/92/71/21/375927121.db2.gz JESXBBLYCQKYQN-JTQLQIEISA-N 1 0 280.328 2.008 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1F ZINC000286383035 375933999 /nfs/dbraw/zinc/93/39/99/375933999.db2.gz ZEZMUPFGKRDPDA-AAEUAGOBSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414716054 375938845 /nfs/dbraw/zinc/93/88/45/375938845.db2.gz WOKPFGOCFXOGTN-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286556790 375993210 /nfs/dbraw/zinc/99/32/10/375993210.db2.gz STSFLARZPCYAMR-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO CCC([NH3+])(CC)CNCc1ccccc1[N+](=O)[O-] ZINC000414811705 375997256 /nfs/dbraw/zinc/99/72/56/375997256.db2.gz ZUKZBZGQJQERHQ-UHFFFAOYSA-N 1 0 251.330 2.202 20 5 CEBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCCC2)s1 ZINC000286880577 376092147 /nfs/dbraw/zinc/09/21/47/376092147.db2.gz IKWGRLBVBMITQR-UHFFFAOYSA-N 1 0 293.352 2.107 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000289747002 376478758 /nfs/dbraw/zinc/47/87/58/376478758.db2.gz QJWGQHXBUGUYHO-IPKOWEFYSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000289969945 376581514 /nfs/dbraw/zinc/58/15/14/376581514.db2.gz YXRSBBQWBQZSSJ-NSHDSACASA-N 1 0 298.339 2.127 20 5 CEBDRO [NH3+][C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420159096 376584756 /nfs/dbraw/zinc/58/47/56/376584756.db2.gz CXGNHZDBGRHXDO-ZETCQYMHSA-N 1 0 276.123 2.439 20 5 CEBDRO CC(=O)c1cc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000420231734 376638471 /nfs/dbraw/zinc/63/84/71/376638471.db2.gz AECXEVPJTKEUHY-LLVKDONJSA-N 1 0 277.324 2.351 20 5 CEBDRO [NH3+]CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000312218984 376704624 /nfs/dbraw/zinc/70/46/24/376704624.db2.gz ZBQFSUYMWZULMY-UHFFFAOYSA-N 1 0 297.380 2.151 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC000312981812 376735656 /nfs/dbraw/zinc/73/56/56/376735656.db2.gz WQEZRSFOLBEJJP-JTQLQIEISA-N 1 0 283.376 2.260 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323435 376797645 /nfs/dbraw/zinc/79/76/45/376797645.db2.gz MHAHCBZYYAPQIY-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000320527782 376825429 /nfs/dbraw/zinc/82/54/29/376825429.db2.gz NLEMRLJCLFUFBZ-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000290547156 376829214 /nfs/dbraw/zinc/82/92/14/376829214.db2.gz IZTUXHBUVUPERG-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019221 376937047 /nfs/dbraw/zinc/93/70/47/376937047.db2.gz UTCWBKZOZLFFBF-UPJWGTAASA-N 1 0 293.367 2.012 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291217723 377125898 /nfs/dbraw/zinc/12/58/98/377125898.db2.gz JBXVDJNCXHUIBE-ZDUSSCGKSA-N 1 0 272.308 2.238 20 5 CEBDRO C[NH+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563039025 377070412 /nfs/dbraw/zinc/07/04/12/377070412.db2.gz PQVRGLNCQPYAOQ-UHFFFAOYSA-N 1 0 278.356 2.232 20 5 CEBDRO C[NH+](C)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330521886 377171482 /nfs/dbraw/zinc/17/14/82/377171482.db2.gz AERYKVXQSSDGMP-UHFFFAOYSA-N 1 0 297.380 2.070 20 5 CEBDRO CCC[C@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423308761 377237430 /nfs/dbraw/zinc/23/74/30/377237430.db2.gz YHMGZBPFEVKTOB-AWEZNQCLSA-N 1 0 263.341 2.245 20 5 CEBDRO Cc1c([C@@H](C)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278402 377204821 /nfs/dbraw/zinc/20/48/21/377204821.db2.gz PVQFFDSHPOEFOB-ZWNOBZJWSA-N 1 0 263.341 2.291 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000292942032 377363969 /nfs/dbraw/zinc/36/39/69/377363969.db2.gz BGSVXYINVCENHS-GFCCVEGCSA-N 1 0 291.351 2.185 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292924920 377355110 /nfs/dbraw/zinc/35/51/10/377355110.db2.gz GNKIDEZUMJPVEC-FZMZJTMJSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C(C)C ZINC000564726295 377441869 /nfs/dbraw/zinc/44/18/69/377441869.db2.gz NDFXYTLBXWAFDD-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000293191425 377464983 /nfs/dbraw/zinc/46/49/83/377464983.db2.gz XEEBPZVZGSUFGW-GFCCVEGCSA-N 1 0 252.314 2.234 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293275654 377500896 /nfs/dbraw/zinc/50/08/96/377500896.db2.gz NSPJJNHQFMEVKX-UHFFFAOYSA-N 1 0 297.311 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000265475483 190184757 /nfs/dbraw/zinc/18/47/57/190184757.db2.gz JEWIJPZGCNESOA-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000293546244 377621461 /nfs/dbraw/zinc/62/14/61/377621461.db2.gz WHQLAWTYUKUPJO-QMMMGPOBSA-N 1 0 285.369 2.212 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000313156585 249387483 /nfs/dbraw/zinc/38/74/83/249387483.db2.gz GZNACIYBJMKJHD-LJTDUEICSA-N 1 0 291.351 2.242 20 5 CEBDRO C[N@@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432345881 377748800 /nfs/dbraw/zinc/74/88/00/377748800.db2.gz ILKJGLABUKIWPN-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293887204 377808390 /nfs/dbraw/zinc/80/83/90/377808390.db2.gz VSIXAJNQBISKKS-JTQLQIEISA-N 1 0 280.372 2.168 20 5 CEBDRO CCN1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293919261 377825097 /nfs/dbraw/zinc/82/50/97/377825097.db2.gz XHFOXRLMUTYORD-LLVKDONJSA-N 1 0 292.383 2.312 20 5 CEBDRO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034979 377879004 /nfs/dbraw/zinc/87/90/04/377879004.db2.gz FSEVGBXFUCDMKM-MNOVXSKESA-N 1 0 280.372 2.025 20 5 CEBDRO C[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034973 377879366 /nfs/dbraw/zinc/87/93/66/377879366.db2.gz FSEVGBXFUCDMKM-GHMZBOCLSA-N 1 0 280.372 2.025 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCC3)CC2)s1 ZINC000296026050 378395579 /nfs/dbraw/zinc/39/55/79/378395579.db2.gz OQXJEPQAYKYLBL-UHFFFAOYSA-N 1 0 282.369 2.480 20 5 CEBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541892 378568238 /nfs/dbraw/zinc/56/82/38/378568238.db2.gz NYISJZJAXLRNER-MNOVXSKESA-N 1 0 293.371 2.226 20 5 CEBDRO CCC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000296651662 378606875 /nfs/dbraw/zinc/60/68/75/378606875.db2.gz XNFPCCQQSGMHJT-LBPRGKRZSA-N 1 0 252.314 2.188 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000266172387 190236966 /nfs/dbraw/zinc/23/69/66/190236966.db2.gz RQGPTTAXYPUHKY-HNNXBMFYSA-N 1 0 290.319 2.494 20 5 CEBDRO Cc1cccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000266188484 190238506 /nfs/dbraw/zinc/23/85/06/190238506.db2.gz USOJXJOWMUZDPG-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000453594368 378916310 /nfs/dbraw/zinc/91/63/10/378916310.db2.gz IHFIPKYBMHYHHJ-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000347061810 218109204 /nfs/dbraw/zinc/10/92/04/218109204.db2.gz ZCUHWKMRANJTTG-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000278560956 194043925 /nfs/dbraw/zinc/04/39/25/194043925.db2.gz CKILNTYOENXGRH-HUUCEWRRSA-N 1 0 294.351 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)nc1 ZINC000301194341 379216115 /nfs/dbraw/zinc/21/61/15/379216115.db2.gz NIFZGZQBBOPJLC-LLVKDONJSA-N 1 0 276.340 2.419 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000301263308 379237381 /nfs/dbraw/zinc/23/73/81/379237381.db2.gz GXDUMQFUBAPUFL-NSHDSACASA-N 1 0 284.747 2.395 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000301371540 379269218 /nfs/dbraw/zinc/26/92/18/379269218.db2.gz TYRMXKAVQUTVMV-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952364 379328250 /nfs/dbraw/zinc/32/82/50/379328250.db2.gz SYQHJGKWXCTYQI-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1nn(CC[C@@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000302362498 379360735 /nfs/dbraw/zinc/36/07/35/379360735.db2.gz FNBIRPGLQVQNIQ-LBPRGKRZSA-N 1 0 266.345 2.283 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000303976671 379500977 /nfs/dbraw/zinc/50/09/77/379500977.db2.gz CIPKAQMDJMJNDF-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266868144 190285831 /nfs/dbraw/zinc/28/58/31/190285831.db2.gz ZPTFJKZZHIKGLW-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304040789 379516403 /nfs/dbraw/zinc/51/64/03/379516403.db2.gz IPGIYHLMEZTSCR-SMDDNHRTSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1cnc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889127 190360892 /nfs/dbraw/zinc/36/08/92/190360892.db2.gz RBYPPILHWSFJAU-WDEREUQCSA-N 1 0 276.340 2.335 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167090 190382983 /nfs/dbraw/zinc/38/29/83/190382983.db2.gz PTMRZLGBGBUCSE-MFKMUULPSA-N 1 0 261.325 2.489 20 5 CEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735313 380125271 /nfs/dbraw/zinc/12/52/71/380125271.db2.gz ORKVXUPHKQGXNC-SCRDCRAPSA-N 1 0 290.367 2.156 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000489277878 380171148 /nfs/dbraw/zinc/17/11/48/380171148.db2.gz MRESPRHTZGBACK-AWEZNQCLSA-N 1 0 280.299 2.081 20 5 CEBDRO CC(C)OCC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000349240009 218829955 /nfs/dbraw/zinc/82/99/55/218829955.db2.gz GVKBHCNDQMDNFQ-AWEZNQCLSA-N 1 0 296.367 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000350313170 219006012 /nfs/dbraw/zinc/00/60/12/219006012.db2.gz YANQXUCNANVNEY-LLVKDONJSA-N 1 0 290.298 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC000408105007 285141973 /nfs/dbraw/zinc/14/19/73/285141973.db2.gz GSKIGUSEWNPMQK-LBPRGKRZSA-N 1 0 276.336 2.380 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000057857784 285162745 /nfs/dbraw/zinc/16/27/45/285162745.db2.gz AECGWGVIBXGLHQ-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000302005410 285169927 /nfs/dbraw/zinc/16/99/27/285169927.db2.gz UPOBBMSQDRAAKW-UHFFFAOYSA-N 1 0 290.348 2.378 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000281933172 285176244 /nfs/dbraw/zinc/17/62/44/285176244.db2.gz OXUAEBKRQGSKIQ-SNVBAGLBSA-N 1 0 282.369 2.116 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000347786484 285184766 /nfs/dbraw/zinc/18/47/66/285184766.db2.gz BBKPOXFPTGQWTF-GFCCVEGCSA-N 1 0 259.309 2.457 20 5 CEBDRO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCCC[NH2+]3)c2c1 ZINC000081590393 177826927 /nfs/dbraw/zinc/82/69/27/177826927.db2.gz MWYPOEOHYJCRPT-JTQLQIEISA-N 1 0 287.323 2.092 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000093983425 184747661 /nfs/dbraw/zinc/74/76/61/184747661.db2.gz HPNMGTXKCKCCBV-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278889350 285408158 /nfs/dbraw/zinc/40/81/58/285408158.db2.gz XEBAIUZJTWAINV-WHOFXGATSA-N 1 0 294.351 2.439 20 5 CEBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190917368 533440070 /nfs/dbraw/zinc/44/00/70/533440070.db2.gz BVVRYAHXYXXHSG-WCQYABFASA-N 1 0 250.298 2.252 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)OC ZINC000191142999 130189093 /nfs/dbraw/zinc/18/90/93/130189093.db2.gz TZPNHGXNYLAOMX-SNVBAGLBSA-N 1 0 268.313 2.118 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000227069849 130835008 /nfs/dbraw/zinc/83/50/08/130835008.db2.gz FOSKLOPUSMGQPL-BFHYXJOUSA-N 1 0 276.336 2.498 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C(C)C ZINC000231041049 130911793 /nfs/dbraw/zinc/91/17/93/130911793.db2.gz JVVRDNVXGHRULK-CYBMUJFWSA-N 1 0 282.340 2.100 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261608406 131156446 /nfs/dbraw/zinc/15/64/46/131156446.db2.gz DLCVMLAMWPCCRB-TZMCWYRMSA-N 1 0 291.351 2.119 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000211126656 394448090 /nfs/dbraw/zinc/44/80/90/394448090.db2.gz USKYBOXJLAMJCS-HJWRWDBZSA-N 1 0 291.351 2.051 20 5 CEBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530074 394580012 /nfs/dbraw/zinc/58/00/12/394580012.db2.gz QTNWNWJJVZPFPY-GHMZBOCLSA-N 1 0 262.309 2.445 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000421742880 394580238 /nfs/dbraw/zinc/58/02/38/394580238.db2.gz UCNPNLJVGZSPAM-UHFFFAOYSA-N 1 0 291.351 2.037 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000266245284 394662227 /nfs/dbraw/zinc/66/22/27/394662227.db2.gz YQQACNCPSWAVMZ-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)c2ncccc12 ZINC000356739305 394598797 /nfs/dbraw/zinc/59/87/97/394598797.db2.gz ITXGGVXWQFJEBC-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO Cc1sc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079694491 394632376 /nfs/dbraw/zinc/63/23/76/394632376.db2.gz XQTPQGCFMQPQGC-LLVKDONJSA-N 1 0 297.380 2.035 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000264473433 394640475 /nfs/dbraw/zinc/64/04/75/394640475.db2.gz RIJKDYYAAAOOFW-NSHDSACASA-N 1 0 252.314 2.186 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C ZINC000422726959 394742375 /nfs/dbraw/zinc/74/23/75/394742375.db2.gz AYZIFSRUYVAARD-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO CC[N@@H+](CCc1cccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000358257206 394713982 /nfs/dbraw/zinc/71/39/82/394713982.db2.gz DTJXCUKWOUYCST-UHFFFAOYSA-N 1 0 294.380 2.417 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000104116295 394717737 /nfs/dbraw/zinc/71/77/37/394717737.db2.gz CPRMCCJMKFCOOK-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422694216 394724790 /nfs/dbraw/zinc/72/47/90/394724790.db2.gz SPMNQQADXBNYEH-LBPRGKRZSA-N 1 0 291.351 2.083 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414829623 394758062 /nfs/dbraw/zinc/75/80/62/394758062.db2.gz NRVXEGHIBTZLPI-JTQLQIEISA-N 1 0 283.759 2.337 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557398 394774752 /nfs/dbraw/zinc/77/47/52/394774752.db2.gz DPQNBAGYJOIHLB-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000272983171 394780116 /nfs/dbraw/zinc/78/01/16/394780116.db2.gz PHFCCQAIIZDGBC-NSHDSACASA-N 1 0 276.340 2.361 20 5 CEBDRO C[C@@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414960338 394826116 /nfs/dbraw/zinc/82/61/16/394826116.db2.gz URCLPTSBTNVQAS-JTQLQIEISA-N 1 0 275.308 2.292 20 5 CEBDRO CC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327361 394892912 /nfs/dbraw/zinc/89/29/12/394892912.db2.gz YKHOWIKXENDBQJ-VXGBXAGGSA-N 1 0 266.345 2.474 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+][C@H]1C ZINC000423386790 394909355 /nfs/dbraw/zinc/90/93/55/394909355.db2.gz RRHUKSXBEKLHPZ-MBNYWOFBSA-N 1 0 277.368 2.256 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391703 394911643 /nfs/dbraw/zinc/91/16/43/394911643.db2.gz KYQGQSJOZUEGPX-MJVIPROJSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311350 394915961 /nfs/dbraw/zinc/91/59/61/394915961.db2.gz MZNFXTGRUUFONX-GIPWTMENSA-N 1 0 296.392 2.465 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423409711 394917058 /nfs/dbraw/zinc/91/70/58/394917058.db2.gz ZAYOICOVGMYPDF-OUCADQQQSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415292656 394919428 /nfs/dbraw/zinc/91/94/28/394919428.db2.gz HQEITWJYZJQMAR-JTQLQIEISA-N 1 0 292.339 2.037 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000423509620 394941482 /nfs/dbraw/zinc/94/14/82/394941482.db2.gz RRXFTQVVXVUTDG-UHFFFAOYSA-N 1 0 297.380 2.176 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636226 394950038 /nfs/dbraw/zinc/95/00/38/394950038.db2.gz XFCHYYRAEUACSG-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO CCOC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000286028401 395002621 /nfs/dbraw/zinc/00/26/21/395002621.db2.gz HUAFJTDKQNGJDJ-GJZGRUSLSA-N 1 0 296.367 2.279 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000285572029 394959400 /nfs/dbraw/zinc/95/94/00/394959400.db2.gz HTDJOOXKOZCVLD-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO CO[C@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000285572028 394959422 /nfs/dbraw/zinc/95/94/22/394959422.db2.gz HTDJOOXKOZCVLD-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000423704068 394969961 /nfs/dbraw/zinc/96/99/61/394969961.db2.gz LJWWOVFURDWMSN-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000161516032 395064412 /nfs/dbraw/zinc/06/44/12/395064412.db2.gz NFRINTYVMJUBPS-CQSZACIVSA-N 1 0 264.325 2.114 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000174699463 395127204 /nfs/dbraw/zinc/12/72/04/395127204.db2.gz LEMMYYYLUOJELH-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000176226444 395137606 /nfs/dbraw/zinc/13/76/06/395137606.db2.gz MQEDLFRMTGXWJM-UHFFFAOYSA-N 1 0 266.345 2.444 20 5 CEBDRO Cc1cc(N2CCc3c[nH+]ccc32)ncc1[N+](=O)[O-] ZINC000176773440 395142473 /nfs/dbraw/zinc/14/24/73/395142473.db2.gz NGYFSDMVSGMOFR-UHFFFAOYSA-N 1 0 256.265 2.387 20 5 CEBDRO CC(C)c1ccc(C[N@H+](C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000348839858 395152477 /nfs/dbraw/zinc/15/24/77/395152477.db2.gz YTMDNSWSUJMKGE-UHFFFAOYSA-N 1 0 279.340 2.025 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000291834305 395171096 /nfs/dbraw/zinc/17/10/96/395171096.db2.gz GGIBPUKZWTWIHG-SNVBAGLBSA-N 1 0 297.330 2.192 20 5 CEBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000291845249 395172387 /nfs/dbraw/zinc/17/23/87/395172387.db2.gz MATZNYSDWRFBCB-MRVPVSSYSA-N 1 0 273.283 2.483 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398224739 395231550 /nfs/dbraw/zinc/23/15/50/395231550.db2.gz PKPPRJFLJLOCHJ-ZYHUDNBSSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000294825787 395278772 /nfs/dbraw/zinc/27/87/72/395278772.db2.gz KZGXDAIJCKPBCZ-REBRKWNGSA-N 1 0 290.363 2.419 20 5 CEBDRO Cc1cnc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420273024 395287554 /nfs/dbraw/zinc/28/75/54/395287554.db2.gz DUMAIAFKOKBCFQ-QWRGUYRKSA-N 1 0 264.329 2.228 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)C1 ZINC000408437192 395299955 /nfs/dbraw/zinc/29/99/55/395299955.db2.gz QKDBTCMUTJYQGZ-WDEREUQCSA-N 1 0 266.345 2.196 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000352892792 395274571 /nfs/dbraw/zinc/27/45/71/395274571.db2.gz MEZRLIXEJWARGZ-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CCC(CC)(CC)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000440728751 395350287 /nfs/dbraw/zinc/35/02/87/395350287.db2.gz BFKQKHZEKWTCPU-UHFFFAOYSA-N 1 0 254.334 2.387 20 5 CEBDRO CO[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000566139689 395502293 /nfs/dbraw/zinc/50/22/93/395502293.db2.gz FXKRDIFNYSLNJJ-OAHLLOKOSA-N 1 0 276.336 2.378 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000451241473 395597759 /nfs/dbraw/zinc/59/77/59/395597759.db2.gz KZCWAYROHQYSCI-CYBMUJFWSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258087 395600189 /nfs/dbraw/zinc/60/01/89/395600189.db2.gz AFBVNWHALSESAE-JSGCOSHPSA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1O ZINC000569155766 395573720 /nfs/dbraw/zinc/57/37/20/395573720.db2.gz KMNHAPGHTKYIIY-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963610 400259284 /nfs/dbraw/zinc/25/92/84/400259284.db2.gz JUYDPKFPMAIZOC-QWRGUYRKSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051833 292247896 /nfs/dbraw/zinc/24/78/96/292247896.db2.gz VXDQKSZQKKLZRK-NEPJUHHUSA-N 1 0 289.339 2.234 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170743 153292926 /nfs/dbraw/zinc/29/29/26/153292926.db2.gz FFXIKASICOUXJW-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000219890488 153308938 /nfs/dbraw/zinc/30/89/38/153308938.db2.gz VHAMOKNNVDNWOO-JQWIXIFHSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCSCC1 ZINC000226230863 153330436 /nfs/dbraw/zinc/33/04/36/153330436.db2.gz HQKIWUAMFCCJOM-UHFFFAOYSA-N 1 0 281.381 2.364 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000226356467 153335015 /nfs/dbraw/zinc/33/50/15/153335015.db2.gz MYBHMGJMGGKIDC-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316962 153389286 /nfs/dbraw/zinc/38/92/86/153389286.db2.gz MSRGEVWUYQATEE-KGLIPLIRSA-N 1 0 262.309 2.252 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000261773008 153833287 /nfs/dbraw/zinc/83/32/87/153833287.db2.gz NGXQZRLLXHFTJY-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C(C)(C)C1 ZINC000263236023 154040672 /nfs/dbraw/zinc/04/06/72/154040672.db2.gz JNIKBGZRQFDOKY-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000359057880 154869641 /nfs/dbraw/zinc/86/96/41/154869641.db2.gz NRRZBSBIOJKQNJ-NSHDSACASA-N 1 0 269.370 2.230 20 5 CEBDRO C[C@H]1COCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000366795118 156082693 /nfs/dbraw/zinc/08/26/93/156082693.db2.gz FPBCVXRNJUJBQI-GFCCVEGCSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375285509 157072732 /nfs/dbraw/zinc/07/27/32/157072732.db2.gz CZGPROTXHPPWFS-LYKUJDHUSA-N 1 0 274.320 2.065 20 5 CEBDRO C[S@](=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168129644 162363018 /nfs/dbraw/zinc/36/30/18/162363018.db2.gz CMNAXAKTNBTZHG-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO CC(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373247374 162616667 /nfs/dbraw/zinc/61/66/67/162616667.db2.gz YTZWGVLVWXOHON-UHFFFAOYSA-N 1 0 252.318 2.084 20 5 CEBDRO CCOc1cc(N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168986070 165036365 /nfs/dbraw/zinc/03/63/65/165036365.db2.gz YRNZZXVAPQTDCA-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170746181 165042079 /nfs/dbraw/zinc/04/20/79/165042079.db2.gz XSDCWIZMUAMYDV-AWEZNQCLSA-N 1 0 275.352 2.265 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174818821 165117567 /nfs/dbraw/zinc/11/75/67/165117567.db2.gz IRGAJLJUZLBYBU-RYUDHWBXSA-N 1 0 266.345 2.302 20 5 CEBDRO CCS[C@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176240370 165159198 /nfs/dbraw/zinc/15/91/98/165159198.db2.gz CXSVXSVQSFMICQ-LBPRGKRZSA-N 1 0 298.412 2.399 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCn2cccn2)cccc1[N+](=O)[O-] ZINC000180429150 165309678 /nfs/dbraw/zinc/30/96/78/165309678.db2.gz QYTKJOYNNMASGA-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000182497036 165373444 /nfs/dbraw/zinc/37/34/44/165373444.db2.gz OSRBRUQMZLQACL-UPJWGTAASA-N 1 0 278.356 2.302 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006139163 170179150 /nfs/dbraw/zinc/17/91/50/170179150.db2.gz DMAAGYUIKTUFGX-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000020208264 171072516 /nfs/dbraw/zinc/07/25/16/171072516.db2.gz NRMVTNUCGFPDFY-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026644 196181683 /nfs/dbraw/zinc/18/16/83/196181683.db2.gz HOTQNOMRMCNNKF-KJDJKKKBSA-N 1 0 279.340 2.155 20 5 CEBDRO Cc1c(C[NH2+]C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000035648914 172325308 /nfs/dbraw/zinc/32/53/08/172325308.db2.gz YNKNZQJRQWOUGP-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO COCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285296556 196244057 /nfs/dbraw/zinc/24/40/57/196244057.db2.gz KULHXOFKSTUQIE-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000285302614 196246057 /nfs/dbraw/zinc/24/60/57/196246057.db2.gz SDMNIPPFACUOEG-RKDXNWHRSA-N 1 0 275.312 2.312 20 5 CEBDRO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000285369993 196262686 /nfs/dbraw/zinc/26/26/86/196262686.db2.gz QVFFKQYWTKTPHC-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177062 173010454 /nfs/dbraw/zinc/01/04/54/173010454.db2.gz UZENUEZWKYPTNS-LLVKDONJSA-N 1 0 279.340 2.018 20 5 CEBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037537555 173256907 /nfs/dbraw/zinc/25/69/07/173256907.db2.gz USOPFMXKAQKECI-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286182433 196518857 /nfs/dbraw/zinc/51/88/57/196518857.db2.gz JGUGFGNHNXWNOP-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO CCOC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000044723752 175237204 /nfs/dbraw/zinc/23/72/04/175237204.db2.gz FTJWZGOLRPUKSA-SNVBAGLBSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000071333286 176126079 /nfs/dbraw/zinc/12/60/79/176126079.db2.gz RJDNDCBJSFXPJA-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000071919941 176299659 /nfs/dbraw/zinc/29/96/59/176299659.db2.gz DWXDFYVPBYKNRS-UHFFFAOYSA-N 1 0 294.355 2.367 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078723343 177376126 /nfs/dbraw/zinc/37/61/26/177376126.db2.gz RIZPTTMJFZEHSI-NSHDSACASA-N 1 0 291.351 2.288 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000449147948 260257793 /nfs/dbraw/zinc/25/77/93/260257793.db2.gz RTGCJJOVDRIVFZ-IAQYHMDHSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739423 262384136 /nfs/dbraw/zinc/38/41/36/262384136.db2.gz WCZQJNGEWLJOMD-HBNTYKKESA-N 1 0 296.396 2.218 20 5 CEBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)COC1 ZINC000393987416 262459477 /nfs/dbraw/zinc/45/94/77/262459477.db2.gz JXIYECMYUHMBHY-UHFFFAOYSA-N 1 0 268.288 2.250 20 5 CEBDRO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533163 270229473 /nfs/dbraw/zinc/22/94/73/270229473.db2.gz UOPBUPOVLSFZRM-AWEZNQCLSA-N 1 0 277.368 2.335 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000150275288 270236527 /nfs/dbraw/zinc/23/65/27/270236527.db2.gz AGLXJGNSXJMKRR-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456445 270354174 /nfs/dbraw/zinc/35/41/74/270354174.db2.gz OIMKELZRTKXHKS-FOGDFJRCSA-N 1 0 283.397 2.462 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397456447 270354306 /nfs/dbraw/zinc/35/43/06/270354306.db2.gz OIMKELZRTKXHKS-JFGNBEQYSA-N 1 0 283.397 2.462 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064222 270355719 /nfs/dbraw/zinc/35/57/19/270355719.db2.gz HENHMKTWPFCGSA-SKDRFNHKSA-N 1 0 268.288 2.391 20 5 CEBDRO C[C@H](C[NH3+])N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423342868 270901607 /nfs/dbraw/zinc/90/16/07/270901607.db2.gz ZBXFQTCTVVCKFS-NOZJJQNGSA-N 1 0 263.341 2.254 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428648652 271283925 /nfs/dbraw/zinc/28/39/25/271283925.db2.gz JLVUSYTVWZICBV-SNVBAGLBSA-N 1 0 274.267 2.009 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCOC1 ZINC000430202375 271361484 /nfs/dbraw/zinc/36/14/84/271361484.db2.gz CJBRITIRHGHSGF-LLVKDONJSA-N 1 0 280.324 2.072 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588358 271395784 /nfs/dbraw/zinc/39/57/84/271395784.db2.gz DLDLWHZSYUZFDV-STQMWFEESA-N 1 0 293.367 2.033 20 5 CEBDRO COC(=O)c1cc(NC[C@H](C)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000277212505 274000846 /nfs/dbraw/zinc/00/08/46/274000846.db2.gz ZBGACFNDAMLANG-JTQLQIEISA-N 1 0 295.339 2.052 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+](C)C ZINC000271284853 274182549 /nfs/dbraw/zinc/18/25/49/274182549.db2.gz CYRVOVUGOOMFDL-ZIAGYGMSSA-N 1 0 295.408 2.385 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC000192806740 277199367 /nfs/dbraw/zinc/19/93/67/277199367.db2.gz NTKVUPVDQHZQBN-BETUJISGSA-N 1 0 298.346 2.141 20 5 CEBDRO C[NH2+]C[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142376 277286400 /nfs/dbraw/zinc/28/64/00/277286400.db2.gz HEGGASQFDLVFGO-VXGBXAGGSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000344373678 278123659 /nfs/dbraw/zinc/12/36/59/278123659.db2.gz ICTVJIBXCFUJTR-ZDUSSCGKSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000349962322 278171918 /nfs/dbraw/zinc/17/19/18/278171918.db2.gz NEXKRTDHXSFQJG-SNVBAGLBSA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262736297 279037104 /nfs/dbraw/zinc/03/71/04/279037104.db2.gz CPNWGTXWDLWNGO-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000351925660 288099869 /nfs/dbraw/zinc/09/98/69/288099869.db2.gz FFRFCOCXYNIQBV-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351730206 279104027 /nfs/dbraw/zinc/10/40/27/279104027.db2.gz MONOYKLWMXQGOK-ZJUUUORDSA-N 1 0 299.321 2.397 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000269208587 279818702 /nfs/dbraw/zinc/81/87/02/279818702.db2.gz MSHRVAKBURJKOF-QPUJVOFHSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357041 280011842 /nfs/dbraw/zinc/01/18/42/280011842.db2.gz NSWDSVAVCGBVBC-CMPLNLGQSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138979479 280072961 /nfs/dbraw/zinc/07/29/61/280072961.db2.gz AYVDNZRMVBRVAS-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070176767 280205586 /nfs/dbraw/zinc/20/55/86/280205586.db2.gz XOWOQESWINCNGV-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216269162 280208377 /nfs/dbraw/zinc/20/83/77/280208377.db2.gz OTGUGXYYHCEHGO-FMFIFOJESA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089106446 280218316 /nfs/dbraw/zinc/21/83/16/280218316.db2.gz HVPSLBRRPQSTTJ-YPMHNXCESA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000248858733 280369342 /nfs/dbraw/zinc/36/93/42/280369342.db2.gz WWHKPKKRZMQBOP-DABQJJPHSA-N 1 0 294.351 2.207 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000135519488 280372441 /nfs/dbraw/zinc/37/24/41/280372441.db2.gz NTYSCEUJNDDFMZ-UONOGXRCSA-N 1 0 294.376 2.301 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCSC2)n1 ZINC000359032478 280377155 /nfs/dbraw/zinc/37/71/55/280377155.db2.gz CULNCNNTKOTCIU-SDDRHHMPSA-N 1 0 296.396 2.370 20 5 CEBDRO COC[C@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447368 281045737 /nfs/dbraw/zinc/04/57/37/281045737.db2.gz ZPWOYKWGKDQNFJ-IUODEOHRSA-N 1 0 293.367 2.014 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464569 281048094 /nfs/dbraw/zinc/04/80/94/281048094.db2.gz BNRQJBSSFMPAPD-JOYOIKCWSA-N 1 0 285.294 2.243 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464547 281048162 /nfs/dbraw/zinc/04/81/62/281048162.db2.gz MEPFDYWAFMFWPE-CMPLNLGQSA-N 1 0 251.330 2.291 20 5 CEBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H](C)[NH3+] ZINC000423726269 281083710 /nfs/dbraw/zinc/08/37/10/281083710.db2.gz POXHMWQCFDPOBE-MNOVXSKESA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462442 281239045 /nfs/dbraw/zinc/23/90/45/281239045.db2.gz BGRHWAZNKFLRSZ-WPRPVWTQSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000194569547 281257591 /nfs/dbraw/zinc/25/75/91/281257591.db2.gz ILPWZHLGZMQSFQ-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675972 281769510 /nfs/dbraw/zinc/76/95/10/281769510.db2.gz DCIHGGAKHVPYJR-UHFFFAOYSA-N 1 0 274.324 2.267 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC2)n1 ZINC000447536001 281833567 /nfs/dbraw/zinc/83/35/67/281833567.db2.gz KCNDOYSBQKZJKO-NWDGAFQWSA-N 1 0 264.329 2.275 20 5 CEBDRO CSCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153239801 289108865 /nfs/dbraw/zinc/10/88/65/289108865.db2.gz QTBYLDJRLLRYIR-UHFFFAOYSA-N 1 0 252.339 2.316 20 5 CEBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154573957 289149772 /nfs/dbraw/zinc/14/97/72/289149772.db2.gz DELWDFZFEGTSBK-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO C[NH+](C)CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000157736921 289220751 /nfs/dbraw/zinc/22/07/51/289220751.db2.gz CHZLUGATYXOFRE-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000158211151 289229810 /nfs/dbraw/zinc/22/98/10/289229810.db2.gz MGKKZQXNZGJWKY-RISCZKNCSA-N 1 0 296.392 2.422 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391399 290134673 /nfs/dbraw/zinc/13/46/73/290134673.db2.gz UVTOYIVAKJNKNZ-DGCLKSJQSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459779291 290237494 /nfs/dbraw/zinc/23/74/94/290237494.db2.gz FNWFCHFFTIILAZ-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO COC(C)(C)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000531575852 298111476 /nfs/dbraw/zinc/11/14/76/298111476.db2.gz IYADONDRYHLKDR-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535008683 298179550 /nfs/dbraw/zinc/17/95/50/298179550.db2.gz AYSKABCSBJWESC-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000543454073 298309965 /nfs/dbraw/zinc/30/99/65/298309965.db2.gz CNTGWBBXTIBVTA-JTQLQIEISA-N 1 0 289.335 2.454 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)CC(F)F ZINC000566476242 298992162 /nfs/dbraw/zinc/99/21/62/298992162.db2.gz VJGBJSLFLIMSQI-LDYMZIIASA-N 1 0 286.278 2.188 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000515652754 313075665 /nfs/dbraw/zinc/07/56/65/313075665.db2.gz QGMFOJFVNDSHIA-DTWKUNHWSA-N 1 0 297.380 2.172 20 5 CEBDRO C[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000534271054 313378421 /nfs/dbraw/zinc/37/84/21/313378421.db2.gz XKNVFLFPJQJHHU-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cn1cc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000547414019 313525701 /nfs/dbraw/zinc/52/57/01/313525701.db2.gz CRNMIDJGZAPJLP-UHFFFAOYSA-N 1 0 288.351 2.396 20 5 CEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000568474117 313958020 /nfs/dbraw/zinc/95/80/20/313958020.db2.gz CPLRXJLNTGXKTP-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CCC(C)C ZINC000571994196 314116029 /nfs/dbraw/zinc/11/60/29/314116029.db2.gz MEXNKMWSMVRTEV-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO CN1CCO[C@@H](CSCc2csc([N+](=O)[O-])c2)C1 ZINC000573723133 314173631 /nfs/dbraw/zinc/17/36/31/314173631.db2.gz WJWYJBMTJUUUPW-SNVBAGLBSA-N 1 0 288.394 2.220 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000576111787 314243289 /nfs/dbraw/zinc/24/32/89/314243289.db2.gz LBPMTMCKCIESJR-BXUZGUMPSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C1CCC1 ZINC000576886379 314320193 /nfs/dbraw/zinc/32/01/93/314320193.db2.gz KIUCKSMYSYETIQ-ZFWWWQNUSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000577260228 314357533 /nfs/dbraw/zinc/35/75/33/314357533.db2.gz KQTWJJICLJAOSX-JHJVBQTASA-N 1 0 296.371 2.026 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000577469115 314380117 /nfs/dbraw/zinc/38/01/17/314380117.db2.gz HAAGLAHLFXACSB-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000577489147 314382967 /nfs/dbraw/zinc/38/29/67/314382967.db2.gz GSVHGSPADGLGJV-AOOOYVTPSA-N 1 0 265.288 2.065 20 5 CEBDRO C[S@@](=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865533 314422794 /nfs/dbraw/zinc/42/27/94/314422794.db2.gz FAMHXAAAYHTZTK-FKIZINRSSA-N 1 0 294.376 2.083 20 5 CEBDRO C[C@@H]1[NH2+]CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000379492319 321826021 /nfs/dbraw/zinc/82/60/21/321826021.db2.gz IVURIFRIBQVBFC-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO COc1cccc(N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580883833 322351163 /nfs/dbraw/zinc/35/11/63/322351163.db2.gz CQPIUABJNYEIRI-OAHLLOKOSA-N 1 0 291.351 2.183 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](C1CC1)[NH+](C)C ZINC000582735543 322499269 /nfs/dbraw/zinc/49/92/69/322499269.db2.gz JEDBZZYCIVPJFM-GFCCVEGCSA-N 1 0 279.340 2.356 20 5 CEBDRO CC(C)[NH2+]CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000582963650 322515113 /nfs/dbraw/zinc/51/51/13/322515113.db2.gz YCMPVWCHGMUAOU-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000153451808 533877547 /nfs/dbraw/zinc/87/75/47/533877547.db2.gz SYDLLADKLMMXBQ-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000355764089 533932638 /nfs/dbraw/zinc/93/26/38/533932638.db2.gz GGLNFFJXUYIVCJ-WCQYABFASA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000414526786 533964154 /nfs/dbraw/zinc/96/41/54/533964154.db2.gz POFWUYFMIAUKIZ-MFKMUULPSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc(NCc2cncn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357589154 534036920 /nfs/dbraw/zinc/03/69/20/534036920.db2.gz BTHAENITBVZBNS-UHFFFAOYSA-N 1 0 297.318 2.219 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411937105 534094903 /nfs/dbraw/zinc/09/49/03/534094903.db2.gz LTXSSQBGYQSSNZ-AAEUAGOBSA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000049480561 521482798 /nfs/dbraw/zinc/48/27/98/521482798.db2.gz MACTVWNRKGZRFZ-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812542 521627041 /nfs/dbraw/zinc/62/70/41/521627041.db2.gz HNXWBCJPOLFWMH-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000183437202 522757475 /nfs/dbraw/zinc/75/74/75/522757475.db2.gz AGOGRCSCWWQOEG-LBPRGKRZSA-N 1 0 291.307 2.251 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804541 525605394 /nfs/dbraw/zinc/60/53/94/525605394.db2.gz OUNXMGCQEOVKSK-BPNCWPANSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310333 525738952 /nfs/dbraw/zinc/73/89/52/525738952.db2.gz FQIDZTPKKKVUQU-QQKBFRNYSA-N 1 0 284.381 2.321 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOCC1 ZINC000363377520 526084463 /nfs/dbraw/zinc/08/44/63/526084463.db2.gz DBXHCUPEGAMAKP-LLVKDONJSA-N 1 0 250.298 2.378 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123929297 529105630 /nfs/dbraw/zinc/10/56/30/529105630.db2.gz NCXTVEGMZLCVGM-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313155842 535806426 /nfs/dbraw/zinc/80/64/26/535806426.db2.gz NSUBUTWXHWDRJT-ZJUUUORDSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000726183988 574424872 /nfs/dbraw/zinc/42/48/72/574424872.db2.gz PQTDEWHWIWJHTQ-UHFFFAOYSA-N 1 0 289.339 2.139 20 5 CEBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000732805328 574631934 /nfs/dbraw/zinc/63/19/34/574631934.db2.gz LYTYNFOROVEFNS-UHFFFAOYSA-N 1 0 293.327 2.275 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820508 575197889 /nfs/dbraw/zinc/19/78/89/575197889.db2.gz NZMXYKYFPQTAMS-GFCCVEGCSA-N 1 0 286.335 2.414 20 5 CEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000742237539 575012927 /nfs/dbraw/zinc/01/29/27/575012927.db2.gz LQPIELIIYZBQNE-LLVKDONJSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[NH+](CC)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742351704 575015746 /nfs/dbraw/zinc/01/57/46/575015746.db2.gz NKQSXGXRHLQUOA-UHFFFAOYSA-N 1 0 291.355 2.386 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411889 575020638 /nfs/dbraw/zinc/02/06/38/575020638.db2.gz JUMOYQQPJHNXJV-MNOVXSKESA-N 1 0 289.339 2.137 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048138 575147480 /nfs/dbraw/zinc/14/74/80/575147480.db2.gz WOJGZJRYJJAEBJ-NOZJJQNGSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1cc(N2CCC[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000746389250 575155592 /nfs/dbraw/zinc/15/55/92/575155592.db2.gz WGXBPOOXUJKGRG-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941372 575301763 /nfs/dbraw/zinc/30/17/63/575301763.db2.gz NJFVEIRZDLTJSU-GXSJLCMTSA-N 1 0 289.339 2.336 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050162642 623325805 /nfs/dbraw/zinc/32/58/05/623325805.db2.gz PFTUTUUXZYBZOU-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933173369 623525735 /nfs/dbraw/zinc/52/57/35/623525735.db2.gz BGHQSSYRPCFBPR-DGCLKSJQSA-N 1 0 292.335 2.368 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000261937958 623687105 /nfs/dbraw/zinc/68/71/05/623687105.db2.gz MHIJQWCHKVXYRH-JOYOIKCWSA-N 1 0 283.759 2.417 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933740014 623987621 /nfs/dbraw/zinc/98/76/21/623987621.db2.gz GGTLQZHQYZFRMB-ZBFHGGJFSA-N 1 0 289.379 2.021 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000891819548 623993597 /nfs/dbraw/zinc/99/35/97/623993597.db2.gz XVXMNKBYXKOVBU-GHMZBOCLSA-N 1 0 281.360 2.003 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCSC[C@H]2C2CC2)c1 ZINC000933913379 624081935 /nfs/dbraw/zinc/08/19/35/624081935.db2.gz BTBJABOJPAAHDZ-ZDUSSCGKSA-N 1 0 296.396 2.009 20 5 CEBDRO COc1c(O)ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892068805 624292177 /nfs/dbraw/zinc/29/21/77/624292177.db2.gz TUDOWYKRWDUMFE-NXEZZACHSA-N 1 0 280.324 2.397 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050373051 624651410 /nfs/dbraw/zinc/65/14/10/624651410.db2.gz KIIXFUPSTQNDQC-KGLIPLIRSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CC[NH2+]C1 ZINC000051890803 624672961 /nfs/dbraw/zinc/67/29/61/624672961.db2.gz PIVTZXALLNEWAG-MRVPVSSYSA-N 1 0 256.689 2.237 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236254447 625915411 /nfs/dbraw/zinc/91/54/11/625915411.db2.gz CBHGPPPGSSSSFZ-ZDUSSCGKSA-N 1 0 292.339 2.234 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621183 627317646 /nfs/dbraw/zinc/31/76/46/627317646.db2.gz HMEDHDLAFNRGTO-NXEZZACHSA-N 1 0 266.297 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1CCO ZINC000311659217 627686719 /nfs/dbraw/zinc/68/67/19/627686719.db2.gz JQFUICXGTKASLJ-LBPRGKRZSA-N 1 0 268.288 2.081 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H](OC)C(C)C)c1[N+](=O)[O-] ZINC000893087430 627989767 /nfs/dbraw/zinc/98/97/67/627989767.db2.gz VPYMWHMPRKKOHS-GFCCVEGCSA-N 1 0 298.339 2.070 20 5 CEBDRO CC(C)N(CC[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930821201 628276368 /nfs/dbraw/zinc/27/63/68/628276368.db2.gz XPQOGKKDMLIFET-INIZCTEOSA-N 1 0 291.395 2.248 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776592019 628500264 /nfs/dbraw/zinc/50/02/64/628500264.db2.gz OIWANGSANVJIAP-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000902444407 634661106 /nfs/dbraw/zinc/66/11/06/634661106.db2.gz HGTOWKSVDPDYLP-MFKMUULPSA-N 1 0 263.341 2.243 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000313058151 628577354 /nfs/dbraw/zinc/57/73/54/628577354.db2.gz DHKCDYFCVOPMGQ-CYBMUJFWSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H](CCCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094943896 628883834 /nfs/dbraw/zinc/88/38/34/628883834.db2.gz JQYNYMZZRVANJQ-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063166633 628925113 /nfs/dbraw/zinc/92/51/13/628925113.db2.gz SBUCCGINCDBLBN-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000932178766 628982937 /nfs/dbraw/zinc/98/29/37/628982937.db2.gz SUHSFAAJUVSBRO-SECBINFHSA-N 1 0 277.280 2.442 20 5 CEBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000893825636 629011933 /nfs/dbraw/zinc/01/19/33/629011933.db2.gz FKTCKEMXAJBHDX-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893938751 629054081 /nfs/dbraw/zinc/05/40/81/629054081.db2.gz FQDNAAOOQSFWNG-SMDDNHRTSA-N 1 0 261.325 2.044 20 5 CEBDRO C[C@@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262018933 629445180 /nfs/dbraw/zinc/44/51/80/629445180.db2.gz VZMZMYABSACHIQ-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928427499 629502960 /nfs/dbraw/zinc/50/29/60/629502960.db2.gz MZVWGZJRCWHHEP-NEPJUHHUSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647193 629641761 /nfs/dbraw/zinc/64/17/61/629641761.db2.gz BRFHKNIHRVAPSV-DGCLKSJQSA-N 1 0 250.298 2.113 20 5 CEBDRO COC(=O)/C(C)=C/C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796112911 629774867 /nfs/dbraw/zinc/77/48/67/629774867.db2.gz JYOAYBNDSWRTRM-XYOKQWHBSA-N 1 0 292.335 2.188 20 5 CEBDRO CCC[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059811 629832669 /nfs/dbraw/zinc/83/26/69/629832669.db2.gz XWQCTNRXPHLLAC-SNVBAGLBSA-N 1 0 267.304 2.312 20 5 CEBDRO C[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895102542 629900266 /nfs/dbraw/zinc/90/02/66/629900266.db2.gz XJRUAQZLSKJMGX-GFCCVEGCSA-N 1 0 278.356 2.156 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000895329615 630114324 /nfs/dbraw/zinc/11/43/24/630114324.db2.gz MHXMYHVKEMWVTF-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000895329616 630114512 /nfs/dbraw/zinc/11/45/12/630114512.db2.gz MHXMYHVKEMWVTF-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895471758 630215169 /nfs/dbraw/zinc/21/51/69/630215169.db2.gz ZPAHSBJIKIMXTJ-HOMQSWHASA-N 1 0 298.726 2.289 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+](C)C ZINC000803495718 631573972 /nfs/dbraw/zinc/57/39/72/631573972.db2.gz SEGAMAAAOSORDQ-CYBMUJFWSA-N 1 0 298.314 2.363 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804324175 631663958 /nfs/dbraw/zinc/66/39/58/631663958.db2.gz YPMXVBAAZJLLAD-SNVBAGLBSA-N 1 0 294.311 2.399 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804399864 631678512 /nfs/dbraw/zinc/67/85/12/631678512.db2.gz IKTOVEBXYIKZJS-GFCCVEGCSA-N 1 0 278.356 2.144 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804444156 631683097 /nfs/dbraw/zinc/68/30/97/631683097.db2.gz WCJQNYJAAFEEME-SNVBAGLBSA-N 1 0 294.311 2.257 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897676315 631861656 /nfs/dbraw/zinc/86/16/56/631861656.db2.gz KSVVCBZGHAPWTC-IINYFYTJSA-N 1 0 264.325 2.024 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897874157 631955009 /nfs/dbraw/zinc/95/50/09/631955009.db2.gz TVSXIHALUGNHLU-OAHLLOKOSA-N 1 0 291.351 2.086 20 5 CEBDRO Cn1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000808451538 631964473 /nfs/dbraw/zinc/96/44/73/631964473.db2.gz RNADLBBQVWKHFG-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CC2)c1C ZINC000897990015 632007015 /nfs/dbraw/zinc/00/70/15/632007015.db2.gz VRDMWFYGPZCLTJ-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000840188916 632157249 /nfs/dbraw/zinc/15/72/49/632157249.db2.gz NPJWLJODJTUCGI-CYBMUJFWSA-N 1 0 278.356 2.488 20 5 CEBDRO Cc1c(C[NH2+][C@H]2COC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000898377657 632184973 /nfs/dbraw/zinc/18/49/73/632184973.db2.gz WPZJBCSVKUMTJK-KBPBESRZSA-N 1 0 276.336 2.418 20 5 CEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000898482113 632509290 /nfs/dbraw/zinc/50/92/90/632509290.db2.gz SWEAMHZNYPROAZ-KOLCDFICSA-N 1 0 298.364 2.478 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+](C)C)c1C ZINC000898670624 632574212 /nfs/dbraw/zinc/57/42/12/632574212.db2.gz ZQHQIRYJRQHJKE-LLVKDONJSA-N 1 0 293.367 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](CO)C1)CCC2 ZINC000927146608 632592442 /nfs/dbraw/zinc/59/24/42/632592442.db2.gz GELCJWPWTFOHDP-IXPVHAAZSA-N 1 0 276.336 2.333 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625376 633039779 /nfs/dbraw/zinc/03/97/79/633039779.db2.gz BQZOKPDKMGIRDF-CMPLNLGQSA-N 1 0 281.356 2.092 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]CC1(C)C ZINC000900021556 633185127 /nfs/dbraw/zinc/18/51/27/633185127.db2.gz XUKNWLTUYSEZLK-LLVKDONJSA-N 1 0 265.313 2.013 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1CCC1 ZINC000819145342 634082905 /nfs/dbraw/zinc/08/29/05/634082905.db2.gz DPOQMVFYAVBKLS-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)OCCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819222740 634109394 /nfs/dbraw/zinc/10/93/94/634109394.db2.gz VBKWJRNQZJQNMG-OAHLLOKOSA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000819270775 634123281 /nfs/dbraw/zinc/12/32/81/634123281.db2.gz IIBKUBYMHCVIAI-RFQIPJPRSA-N 1 0 262.309 2.016 20 5 CEBDRO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819297879 634130512 /nfs/dbraw/zinc/13/05/12/634130512.db2.gz IQOXMBWCZCFZIX-NEPJUHHUSA-N 1 0 282.365 2.112 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819360818 634154483 /nfs/dbraw/zinc/15/44/83/634154483.db2.gz MSYJQTGCNMGTIB-CFVMTHIKSA-N 1 0 294.351 2.174 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000819376525 634161784 /nfs/dbraw/zinc/16/17/84/634161784.db2.gz ZFCLDWMCSNSDTQ-HUUCEWRRSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646429 634962583 /nfs/dbraw/zinc/96/25/83/634962583.db2.gz HAGXBZBJDKFWKN-RKDXNWHRSA-N 1 0 276.296 2.019 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903106498 634972641 /nfs/dbraw/zinc/97/26/41/634972641.db2.gz YMCZSEKWWUUGMU-JTQLQIEISA-N 1 0 280.324 2.027 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)cc([N+](=O)[O-])c1 ZINC000903126922 634983089 /nfs/dbraw/zinc/98/30/89/634983089.db2.gz FPKZANKVWQAHCR-ZWNOBZJWSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[C@H](C)[NH3+])n1 ZINC000822807650 635000382 /nfs/dbraw/zinc/00/03/82/635000382.db2.gz CKZNOPARRFCFRS-BDAKNGLRSA-N 1 0 276.296 2.404 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc([N+](=O)[O-])c1 ZINC000903190266 635013752 /nfs/dbraw/zinc/01/37/52/635013752.db2.gz RDEWFMLCJQQSKB-UDZFHETQSA-N 1 0 280.324 2.167 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903218935 635021541 /nfs/dbraw/zinc/02/15/41/635021541.db2.gz FZJUXALBDQRMPD-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO C[C@H](C[NH2+][C@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903246376 635025234 /nfs/dbraw/zinc/02/52/34/635025234.db2.gz UEFPQSCLYFPGJP-MDZLAQPJSA-N 1 0 264.325 2.323 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903298774 635046553 /nfs/dbraw/zinc/04/65/53/635046553.db2.gz ZINRFZBSNWWZNS-SUNKGSAMSA-N 1 0 295.358 2.347 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286828 635050391 /nfs/dbraw/zinc/05/03/91/635050391.db2.gz HPOIAWUUIMIMIF-MISXGVKJSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN1C ZINC000903321519 635055884 /nfs/dbraw/zinc/05/58/84/635055884.db2.gz GQNFTJWNKHKLSB-DGCLKSJQSA-N 1 0 263.341 2.258 20 5 CEBDRO CC(C)[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@@H](C)[NH3+] ZINC000823236151 635108063 /nfs/dbraw/zinc/10/80/63/635108063.db2.gz ZEKJLRGXELLNJL-KOLCDFICSA-N 1 0 284.360 2.144 20 5 CEBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@H](C)[NH3+] ZINC000823270546 635120093 /nfs/dbraw/zinc/12/00/93/635120093.db2.gz SLGJENVQSUXZKL-OIBJUYFYSA-N 1 0 280.284 2.325 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903486247 635145424 /nfs/dbraw/zinc/14/54/24/635145424.db2.gz TXZDHXGYWIQJQL-CQSZACIVSA-N 1 0 293.342 2.498 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[NH2+]C1 ZINC000903722500 635235960 /nfs/dbraw/zinc/23/59/60/635235960.db2.gz BNKBFGLKQZOFGR-ZDUSSCGKSA-N 1 0 277.368 2.416 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000903796838 635275118 /nfs/dbraw/zinc/27/51/18/635275118.db2.gz ZBVSEIKBMTWIED-UKRRQHHQSA-N 1 0 275.352 2.298 20 5 CEBDRO Cc1cnccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000824383970 635417811 /nfs/dbraw/zinc/41/78/11/635417811.db2.gz WSFKIUSCWHJJNW-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000825441032 635639888 /nfs/dbraw/zinc/63/98/88/635639888.db2.gz IBOFYDWDHRQOKQ-SECBINFHSA-N 1 0 299.758 2.237 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000905083304 635798761 /nfs/dbraw/zinc/79/87/61/635798761.db2.gz VRIARIDGPGABBV-GXSJLCMTSA-N 1 0 274.242 2.428 20 5 CEBDRO Cc1ccc(-c2nc(CC[NH2+]CC[N+](=O)[O-])co2)cc1 ZINC000905090799 635802547 /nfs/dbraw/zinc/80/25/47/635802547.db2.gz UGPRVRIHUBVXKZ-UHFFFAOYSA-N 1 0 275.308 2.059 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000905244057 636169838 /nfs/dbraw/zinc/16/98/38/636169838.db2.gz ULFPPHRUHZFLEE-WCQYABFASA-N 1 0 252.289 2.328 20 5 CEBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])CC1 ZINC000905386633 636243991 /nfs/dbraw/zinc/24/39/91/636243991.db2.gz VWLVRUIVCLTFBW-JOCQHMNTSA-N 1 0 258.362 2.227 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000905409062 636261465 /nfs/dbraw/zinc/26/14/65/636261465.db2.gz FJNHJSABVVIWPB-RISCZKNCSA-N 1 0 262.309 2.184 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000827501155 636338780 /nfs/dbraw/zinc/33/87/80/636338780.db2.gz SAEYNSUOXXYUMR-DKTWLAJQSA-N 1 0 298.726 2.289 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827500757 636339123 /nfs/dbraw/zinc/33/91/23/636339123.db2.gz JKKQWFXZJYMPJR-AOOOYVTPSA-N 1 0 298.726 2.289 20 5 CEBDRO COC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000905615300 636358885 /nfs/dbraw/zinc/35/88/85/636358885.db2.gz AOWPBFYOZMYNLW-UKRRQHHQSA-N 1 0 296.367 2.136 20 5 CEBDRO COC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000905615297 636359150 /nfs/dbraw/zinc/35/91/50/636359150.db2.gz AOWPBFYOZMYNLW-HIFRSBDPSA-N 1 0 296.367 2.136 20 5 CEBDRO O=C(CC[NH2+]C/C=C\Cl)Nc1ccccc1[N+](=O)[O-] ZINC000905707505 636398575 /nfs/dbraw/zinc/39/85/75/636398575.db2.gz KCUJVJBSYJSINM-CLTKARDFSA-N 1 0 283.715 2.266 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000323697207 636956324 /nfs/dbraw/zinc/95/63/24/636956324.db2.gz QJOHRHOGYUUXNM-VXGBXAGGSA-N 1 0 270.716 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[N@@H+](C)CC1 ZINC000876509899 650295866 /nfs/dbraw/zinc/29/58/66/650295866.db2.gz IPHTWPLCJFMHCU-UHFFFAOYSA-N 1 0 277.368 2.349 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876523957 650302857 /nfs/dbraw/zinc/30/28/57/650302857.db2.gz HDQOVNRJUXILRS-UHFFFAOYSA-N 1 0 287.319 2.215 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000831001400 637214418 /nfs/dbraw/zinc/21/44/18/637214418.db2.gz ROARQSVIDFRMMF-PWSUYJOCSA-N 1 0 296.298 2.165 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000876550129 650320571 /nfs/dbraw/zinc/32/05/71/650320571.db2.gz PWOUKFIQUXNZPL-CABZTGNLSA-N 1 0 277.324 2.215 20 5 CEBDRO Cn1cc(CNc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])n1 ZINC000876822987 650447067 /nfs/dbraw/zinc/44/70/67/650447067.db2.gz UGXCHJSLPSJWFP-UHFFFAOYSA-N 1 0 289.339 2.002 20 5 CEBDRO Cc1csc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000876919665 650486832 /nfs/dbraw/zinc/48/68/32/650486832.db2.gz XBPOLXDLXPQQSC-UHFFFAOYSA-N 1 0 293.352 2.050 20 5 CEBDRO CCOC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045687061 639462276 /nfs/dbraw/zinc/46/22/76/639462276.db2.gz FSGZKVCRYJOUOR-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO C[C@@H](C[NH+](C)C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168870073 639587545 /nfs/dbraw/zinc/58/75/45/639587545.db2.gz XRKRRCFCLZDVIS-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000841010845 639617327 /nfs/dbraw/zinc/61/73/27/639617327.db2.gz JHLKLYVDKOTLOE-VIFPVBQESA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000841010580 639617648 /nfs/dbraw/zinc/61/76/48/639617648.db2.gz GIFZDKRPOXBLNC-NKWVEPMBSA-N 1 0 286.719 2.105 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841030907 639622992 /nfs/dbraw/zinc/62/29/92/639622992.db2.gz OUWKLYLQSWQKOE-TVQRCGJNSA-N 1 0 283.759 2.465 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000228357045 639631771 /nfs/dbraw/zinc/63/17/71/639631771.db2.gz XITMOKGCBRGTPQ-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO CCC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841046835 639632692 /nfs/dbraw/zinc/63/26/92/639632692.db2.gz OSKZMPWYKSSDPU-UHFFFAOYSA-N 1 0 271.748 2.337 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH3+] ZINC000841076725 639647151 /nfs/dbraw/zinc/64/71/51/639647151.db2.gz NCFUFQNGFBSQHJ-JGVFFNPUSA-N 1 0 257.721 2.074 20 5 CEBDRO CC[C@@H]([NH3+])c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000229937094 639724989 /nfs/dbraw/zinc/72/49/89/639724989.db2.gz QUZUIJARRQSFEW-SNVBAGLBSA-N 1 0 295.730 2.298 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230163139 639744263 /nfs/dbraw/zinc/74/42/63/639744263.db2.gz IVQJXIDWGMWILB-CYBMUJFWSA-N 1 0 284.381 2.107 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000172919240 639828163 /nfs/dbraw/zinc/82/81/63/639828163.db2.gz DVAHYBMWVJSWMX-WDEREUQCSA-N 1 0 252.318 2.259 20 5 CEBDRO CCC(=O)c1ccc(N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000842312883 640009734 /nfs/dbraw/zinc/00/97/34/640009734.db2.gz AMOVKOOECWXJSU-UHFFFAOYSA-N 1 0 291.351 2.376 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000089168865 640143486 /nfs/dbraw/zinc/14/34/86/640143486.db2.gz FOPRTQLZFZKEEM-GXFFZTMASA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc(N2CCN(CC[N+](=O)[O-])[C@H](C)C2)cc1C ZINC000929778437 640182632 /nfs/dbraw/zinc/18/26/32/640182632.db2.gz JBPCOHDLZPDIMX-CQSZACIVSA-N 1 0 277.368 2.091 20 5 CEBDRO CC(C)(C)C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843092125 640278563 /nfs/dbraw/zinc/27/85/63/640278563.db2.gz AJJPHSQOZUQGOP-OCCSQVGLSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152733016 640311578 /nfs/dbraw/zinc/31/15/78/640311578.db2.gz CQTYMMHDQXBGAI-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO Cc1cc(Cc2noc(C(C)(C)C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191555 640343370 /nfs/dbraw/zinc/34/33/70/640343370.db2.gz JBSRINBUIWLQEC-UHFFFAOYSA-N 1 0 290.323 2.113 20 5 CEBDRO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCN1 ZINC000877087723 650565938 /nfs/dbraw/zinc/56/59/38/650565938.db2.gz QMDXIHXFROYIJK-JTQLQIEISA-N 1 0 297.742 2.007 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877119635 650580908 /nfs/dbraw/zinc/58/09/08/650580908.db2.gz JMNPGXKXIYTBCF-UNXYVOJBSA-N 1 0 294.355 2.042 20 5 CEBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CCCO1 ZINC000877122846 650582359 /nfs/dbraw/zinc/58/23/59/650582359.db2.gz ATJUARWUHWBYRL-DZYMPVBWSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@@H]1CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000877126358 650585246 /nfs/dbraw/zinc/58/52/46/650585246.db2.gz IXOMNNQVQHTZHW-ITSCGTHASA-N 1 0 294.355 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877433962 650719316 /nfs/dbraw/zinc/71/93/16/650719316.db2.gz KWQFPOSXLSZJNE-ABAIWWIYSA-N 1 0 278.352 2.414 20 5 CEBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccccn1 ZINC000849001826 642220344 /nfs/dbraw/zinc/22/03/44/642220344.db2.gz IKEBVOKFERXLJC-UHFFFAOYSA-N 1 0 285.307 2.169 20 5 CEBDRO CC(C)SCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877523545 650764651 /nfs/dbraw/zinc/76/46/51/650764651.db2.gz XMYNEMUVEFNAPU-UHFFFAOYSA-N 1 0 284.385 2.226 20 5 CEBDRO CCC[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)OC ZINC000877521770 650764766 /nfs/dbraw/zinc/76/47/66/650764766.db2.gz CZKPOZCAOXIMAR-AWEZNQCLSA-N 1 0 281.356 2.175 20 5 CEBDRO CC[C@@](C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)OC ZINC000877523051 650764990 /nfs/dbraw/zinc/76/49/90/650764990.db2.gz VTDBQRPSJAVSML-AWEZNQCLSA-N 1 0 281.356 2.175 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850547793 642749699 /nfs/dbraw/zinc/74/96/99/642749699.db2.gz WOMNAHUFNQFXFS-CUOATXAZSA-N 1 0 291.351 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923003791 643508250 /nfs/dbraw/zinc/50/82/50/643508250.db2.gz KSDYEDVHXWOOKU-JLIMDTESSA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]C1 ZINC000853320029 643738960 /nfs/dbraw/zinc/73/89/60/643738960.db2.gz NYBYVAHHAGKFCY-GFCCVEGCSA-N 1 0 298.730 2.122 20 5 CEBDRO CC[C@H]1CCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515511 643798546 /nfs/dbraw/zinc/79/85/46/643798546.db2.gz XCJYZTKXCYYDGN-NSHDSACASA-N 1 0 287.323 2.295 20 5 CEBDRO CC1=CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756631541 644676459 /nfs/dbraw/zinc/67/64/59/644676459.db2.gz DQONEQNXZSNGRJ-AWEZNQCLSA-N 1 0 262.309 2.280 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756383 645574852 /nfs/dbraw/zinc/57/48/52/645574852.db2.gz ADYVEDMBIZPDEA-MNOVXSKESA-N 1 0 290.319 2.341 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000768525731 646135601 /nfs/dbraw/zinc/13/56/01/646135601.db2.gz KWKCIVKOZZQOAF-ZJUUUORDSA-N 1 0 294.311 2.032 20 5 CEBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000862486581 646477188 /nfs/dbraw/zinc/47/71/88/646477188.db2.gz FJBYQQXYUPYOCQ-LLVKDONJSA-N 1 0 296.348 2.398 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000772161036 646600456 /nfs/dbraw/zinc/60/04/56/646600456.db2.gz RYFJXHLHOFBJRG-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000864359509 646977638 /nfs/dbraw/zinc/97/76/38/646977638.db2.gz UDVTWRFMWRCAAF-OCAPTIKFSA-N 1 0 285.706 2.328 20 5 CEBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863396 647366849 /nfs/dbraw/zinc/36/68/49/647366849.db2.gz OQJKOONOFXUGGX-GXSJLCMTSA-N 1 0 252.318 2.178 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(F)c1 ZINC000865697549 647429221 /nfs/dbraw/zinc/42/92/21/647429221.db2.gz ZETYQXOTPJBKIC-HHVGHTAVSA-N 1 0 292.310 2.247 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC([NH+]3CCCC3)C2)c1 ZINC000865937437 647543990 /nfs/dbraw/zinc/54/39/90/647543990.db2.gz QHFMPMPAXITJSA-UHFFFAOYSA-N 1 0 295.314 2.027 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000866052692 647589228 /nfs/dbraw/zinc/58/92/28/647589228.db2.gz NAVLYRIUDNKGSB-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000866113056 647614897 /nfs/dbraw/zinc/61/48/97/647614897.db2.gz QZJBFRASBSLKEY-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866210200 647674214 /nfs/dbraw/zinc/67/42/14/647674214.db2.gz ZHWCBMTVTCQFSZ-JQWIXIFHSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000866215033 647675516 /nfs/dbraw/zinc/67/55/16/647675516.db2.gz HIYZFSXGBTVFBU-LLVKDONJSA-N 1 0 292.314 2.151 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866299576 647721979 /nfs/dbraw/zinc/72/19/79/647721979.db2.gz LMHRLCGWEYUPFB-VIFPVBQESA-N 1 0 292.314 2.486 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H](C)O ZINC000866334577 647740764 /nfs/dbraw/zinc/74/07/64/647740764.db2.gz BEKPIAYXZUUZKE-MXWKQRLJSA-N 1 0 284.331 2.414 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC2)cc1Cl ZINC000783647768 647743082 /nfs/dbraw/zinc/74/30/82/647743082.db2.gz XJRRBIXDOAZSAA-VIFPVBQESA-N 1 0 256.689 2.127 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1Cl ZINC000783648383 647744175 /nfs/dbraw/zinc/74/41/75/647744175.db2.gz HEIGLIWLKSXTGP-LLVKDONJSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000866343235 647746576 /nfs/dbraw/zinc/74/65/76/647746576.db2.gz KQBZOVDTCVXRMF-OWYVNGRQSA-N 1 0 296.342 2.414 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345049 647747919 /nfs/dbraw/zinc/74/79/19/647747919.db2.gz FRPPKCYHGZFQQL-ZJUUUORDSA-N 1 0 270.304 2.289 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000783918112 647777105 /nfs/dbraw/zinc/77/71/05/647777105.db2.gz OOUMEZHVKKAIOZ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@]([NH3+])(C(=O)NCCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867944307 647997360 /nfs/dbraw/zinc/99/73/60/647997360.db2.gz COSIFVRFYYUDKF-OAHLLOKOSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868002693 648016840 /nfs/dbraw/zinc/01/68/40/648016840.db2.gz ZMHCTFMSQYFCHA-MRVPVSSYSA-N 1 0 297.380 2.083 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000787963008 648153463 /nfs/dbraw/zinc/15/34/63/648153463.db2.gz TUQJSZKHUJEKBB-CYBMUJFWSA-N 1 0 280.324 2.224 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788692811 648216110 /nfs/dbraw/zinc/21/61/10/648216110.db2.gz QWHAFYFBXSZBPT-JQWIXIFHSA-N 1 0 279.340 2.397 20 5 CEBDRO C[NH+](C)CCSCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789929879 648358583 /nfs/dbraw/zinc/35/85/83/648358583.db2.gz OABJDDQGNFXKTP-UHFFFAOYSA-N 1 0 285.325 2.298 20 5 CEBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791051336 648475911 /nfs/dbraw/zinc/47/59/11/648475911.db2.gz AZFYIFKRYMKRNR-SNVBAGLBSA-N 1 0 256.733 2.480 20 5 CEBDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC[N+](=O)[O-])C3)nc2c1 ZINC000791054662 648477321 /nfs/dbraw/zinc/47/73/21/648477321.db2.gz NJJQYTWURCABBI-LBPRGKRZSA-N 1 0 288.351 2.327 20 5 CEBDRO Cc1c(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000870927809 648955044 /nfs/dbraw/zinc/95/50/44/648955044.db2.gz IGVWTQLRCFPOMO-AULYBMBSSA-N 1 0 291.351 2.037 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000870972670 648967428 /nfs/dbraw/zinc/96/74/28/648967428.db2.gz PHZDGPRPFISWFN-UMSPYCQHSA-N 1 0 291.351 2.185 20 5 CEBDRO C[C@@H](NC[C@H](C)[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034179 649248270 /nfs/dbraw/zinc/24/82/70/649248270.db2.gz MAVOEIWRGDYLCH-VHSXEESVSA-N 1 0 269.320 2.335 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872046015 649253649 /nfs/dbraw/zinc/25/36/49/649253649.db2.gz CVCLFUANFOFKTR-MRVPVSSYSA-N 1 0 294.286 2.319 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)CCC2 ZINC000872127777 649286351 /nfs/dbraw/zinc/28/63/51/649286351.db2.gz XYSJWRPDEDJJRK-XEGUGMAKSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000873020673 649533738 /nfs/dbraw/zinc/53/37/38/649533738.db2.gz ZVNVGURUTAGAEM-LLVKDONJSA-N 1 0 292.257 2.224 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000873051719 649544468 /nfs/dbraw/zinc/54/44/68/649544468.db2.gz NHEMMRPNQCUEMW-OAHLLOKOSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)CCO ZINC000873065395 649549021 /nfs/dbraw/zinc/54/90/21/649549021.db2.gz HUXJJFHBBPJOCO-JTQLQIEISA-N 1 0 266.341 2.320 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[S@@](C)=O ZINC000873105351 649559208 /nfs/dbraw/zinc/55/92/08/649559208.db2.gz ZSKZZZKIVLSJAQ-GIGQVBGESA-N 1 0 284.381 2.068 20 5 CEBDRO CCc1nnc(CNCc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC000873128283 649564496 /nfs/dbraw/zinc/56/44/96/649564496.db2.gz JOKFNSSSQRSAPZ-UHFFFAOYSA-N 1 0 289.339 2.182 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130820 649565312 /nfs/dbraw/zinc/56/53/12/649565312.db2.gz HDJXQRPZWOSFPW-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873297878 649632582 /nfs/dbraw/zinc/63/25/82/649632582.db2.gz FXEZBIXSOLKDCE-JSGCOSHPSA-N 1 0 290.323 2.001 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000879684760 651339207 /nfs/dbraw/zinc/33/92/07/651339207.db2.gz NZRCTWHGHHTDOI-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435857 651440502 /nfs/dbraw/zinc/44/05/02/651440502.db2.gz WASZQTVTPKIMPR-ZFWWWQNUSA-N 1 0 294.351 2.139 20 5 CEBDRO CC(=O)c1c(NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000881849489 651900899 /nfs/dbraw/zinc/90/08/99/651900899.db2.gz PAIVOWLEUNLTPY-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO CC(=O)c1c(NCC2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000882161969 651985982 /nfs/dbraw/zinc/98/59/82/651985982.db2.gz QJZWHIWUHONMFH-UHFFFAOYSA-N 1 0 289.335 2.471 20 5 CEBDRO CSC[C@@H]1CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130920447 652355492 /nfs/dbraw/zinc/35/54/92/652355492.db2.gz GOUXPGUTFSLQIK-NSHDSACASA-N 1 0 284.385 2.193 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000883181895 652391950 /nfs/dbraw/zinc/39/19/50/652391950.db2.gz NGAZQNJHWAVYQA-ZFWWWQNUSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356952 652441160 /nfs/dbraw/zinc/44/11/60/652441160.db2.gz ZIMFQRPXIIOVDS-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000800143967 652662454 /nfs/dbraw/zinc/66/24/54/652662454.db2.gz POEMNHFFTAEWGT-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH3+])c1C ZINC000884295965 652784283 /nfs/dbraw/zinc/78/42/83/652784283.db2.gz LKKJVDHTMBVGIN-JTQLQIEISA-N 1 0 279.340 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)c1C ZINC000884365124 652817301 /nfs/dbraw/zinc/81/73/01/652817301.db2.gz DRLAFQHAUKTEGB-NEPJUHHUSA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000134757813 652873476 /nfs/dbraw/zinc/87/34/76/652873476.db2.gz LLAAHJCTHJVTEL-OCCSQVGLSA-N 1 0 262.309 2.327 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164632256 719184299 /nfs/dbraw/zinc/18/42/99/719184299.db2.gz DRNXAZZYDHGPGT-NXEZZACHSA-N 1 0 298.774 2.480 20 5 CEBDRO [NH3+]Cc1cnn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c1 ZINC001168259018 806449851 /nfs/dbraw/zinc/44/98/51/806449851.db2.gz JLULTMDZDLECNU-ONEGZZNKSA-N 1 0 278.699 2.232 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH3+] ZINC000061841529 806567368 /nfs/dbraw/zinc/56/73/68/806567368.db2.gz SFIOXFZASLGDPB-UHFFFAOYSA-N 1 0 272.308 2.369 20 5 CEBDRO C[C@H](CCNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000697869443 806718389 /nfs/dbraw/zinc/71/83/89/806718389.db2.gz HEOANFZSYMPWRE-LLVKDONJSA-N 1 0 251.330 2.025 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134388529 802834918 /nfs/dbraw/zinc/83/49/18/802834918.db2.gz HRUASIUZQAKDPN-LLVKDONJSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[NH2+]C[C@H]1C ZINC001217969070 803520541 /nfs/dbraw/zinc/52/05/41/803520541.db2.gz VGBNTBRBYDJEGS-OQPBUACISA-N 1 0 250.298 2.198 20 5 CEBDRO CC1(C)C[C@@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218474044 803619749 /nfs/dbraw/zinc/61/97/49/803619749.db2.gz BARUHVRALJIXSY-JTQLQIEISA-N 1 0 265.313 2.086 20 5 CEBDRO N=C(Nc1ccc2cnccc2c1[N+](=O)[O-])SCC[NH3+] ZINC001167912282 804695597 /nfs/dbraw/zinc/69/55/97/804695597.db2.gz MESRUUIGDBSZNA-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO CC(=O)Oc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001225493267 804886253 /nfs/dbraw/zinc/88/62/53/804886253.db2.gz PDPQZJFEZWQDKL-NSHDSACASA-N 1 0 252.334 2.085 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc(O)c2n1 ZINC001225589827 804983791 /nfs/dbraw/zinc/98/37/91/804983791.db2.gz FQUIRIJMEJVYEB-NSHDSACASA-O 1 0 261.345 2.414 20 5 CEBDRO Cc1cccc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001225634068 805052741 /nfs/dbraw/zinc/05/27/41/805052741.db2.gz ZIAFUFKIBBLEPE-LLVKDONJSA-N 1 0 250.298 2.376 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225681491 805138390 /nfs/dbraw/zinc/13/83/90/805138390.db2.gz AAESXCAAZSZPDJ-NSHDSACASA-N 1 0 253.322 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cnn(C)c1 ZINC001119025935 815064467 /nfs/dbraw/zinc/06/44/67/815064467.db2.gz QJWUYNDZFQRKLB-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO Cc1c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093102 807236074 /nfs/dbraw/zinc/23/60/74/807236074.db2.gz BAUSBYCXBLGEEJ-RISCZKNCSA-N 1 0 277.368 2.320 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000699442808 807706324 /nfs/dbraw/zinc/70/63/24/807706324.db2.gz YZOUYARNGWYDFQ-AAEUAGOBSA-N 1 0 264.325 2.418 20 5 CEBDRO CCC1(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]C1 ZINC001168583229 808668677 /nfs/dbraw/zinc/66/86/77/808668677.db2.gz JGMAFBWBUSPKPB-UHFFFAOYSA-N 1 0 290.245 2.173 20 5 CEBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001116770539 808876789 /nfs/dbraw/zinc/87/67/89/808876789.db2.gz GKUHKVWITHDBTJ-QWHCGFSZSA-N 1 0 292.335 2.335 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627601 809333355 /nfs/dbraw/zinc/33/33/55/809333355.db2.gz IPCGQXIOQBFRJW-PSASIEDQSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702040531 809488723 /nfs/dbraw/zinc/48/87/23/809488723.db2.gz ZXUUCDHDNGKUKU-SNVBAGLBSA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000703568305 809668809 /nfs/dbraw/zinc/66/88/09/809668809.db2.gz NSFBIRVXFCSWLS-SMDDNHRTSA-N 1 0 295.770 2.290 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000708384023 809929175 /nfs/dbraw/zinc/92/91/75/809929175.db2.gz AJKHUVHECARVFE-CYBMUJFWSA-N 1 0 264.325 2.500 20 5 CEBDRO CN(CCC[NH+](C)C)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001163595647 810135067 /nfs/dbraw/zinc/13/50/67/810135067.db2.gz RDDHBYSFQSPYNN-UHFFFAOYSA-N 1 0 272.736 2.031 20 5 CEBDRO Cc1c(C)c(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165139715 810393800 /nfs/dbraw/zinc/39/38/00/810393800.db2.gz CTMPOOGNRVSQMV-UHFFFAOYSA-N 1 0 278.356 2.139 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712273665 810418151 /nfs/dbraw/zinc/41/81/51/810418151.db2.gz CCYSSDQQSYDDLL-LJWDBELGSA-N 1 0 296.754 2.451 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC001168976260 811305373 /nfs/dbraw/zinc/30/53/73/811305373.db2.gz CDTLWDDZJMIHNV-BNOWGMLFSA-N 1 0 275.352 2.494 20 5 CEBDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168976213 811305700 /nfs/dbraw/zinc/30/57/00/811305700.db2.gz ZQHDMDOLQUDGGA-DGCLKSJQSA-N 1 0 279.340 2.015 20 5 CEBDRO Cc1ncn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979709 811307804 /nfs/dbraw/zinc/30/78/04/811307804.db2.gz ZLTDJZNXTYFWEK-VXGBXAGGSA-N 1 0 298.412 2.001 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979019 811308117 /nfs/dbraw/zinc/30/81/17/811308117.db2.gz WENUWGLZHKUOFM-QKGCVVFFSA-N 1 0 281.400 2.037 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168958063 811312770 /nfs/dbraw/zinc/31/27/70/811312770.db2.gz LLZFMKHPROOCNA-OLZOCXBDSA-N 1 0 264.325 2.230 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001168986101 811313957 /nfs/dbraw/zinc/31/39/57/811313957.db2.gz VVVDUIIPRVJYQT-YUTCNCBUSA-N 1 0 276.336 2.025 20 5 CEBDRO Cc1ccc2ncc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)n2c1 ZINC001168961288 811314898 /nfs/dbraw/zinc/31/48/98/811314898.db2.gz IPCWODPMDAOYCU-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001168973359 811322012 /nfs/dbraw/zinc/32/20/12/811322012.db2.gz ONGCUZCQZASSLM-VHDGCEQUSA-N 1 0 278.352 2.145 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001168975596 811322758 /nfs/dbraw/zinc/32/27/58/811322758.db2.gz WOAQBPRAIBBZRD-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO CC(C)(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991608 811323379 /nfs/dbraw/zinc/32/33/79/811323379.db2.gz IAIPGBVHZXKTQW-MJBXVCDLSA-N 1 0 283.416 2.142 20 5 CEBDRO [NH3+]Cc1cc2ccncc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997087 811324309 /nfs/dbraw/zinc/32/43/09/811324309.db2.gz XMTKSSRYTIEECH-CMPLNLGQSA-N 1 0 274.324 2.113 20 5 CEBDRO COc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C[NH3+] ZINC001169001273 811328171 /nfs/dbraw/zinc/32/81/71/811328171.db2.gz FDQXGELLWZCWOZ-ZYHUDNBSSA-N 1 0 279.340 2.011 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999750 811328249 /nfs/dbraw/zinc/32/82/49/811328249.db2.gz VBKCLLPFJHFXLE-KOLCDFICSA-N 1 0 298.289 2.183 20 5 CEBDRO COc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C[NH3+] ZINC001169001271 811328558 /nfs/dbraw/zinc/32/85/58/811328558.db2.gz FDQXGELLWZCWOZ-JQWIXIFHSA-N 1 0 279.340 2.011 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(O)cc3C2)C1 ZINC001169001423 811329284 /nfs/dbraw/zinc/32/92/84/811329284.db2.gz FWOCLKLPPJEXBA-CQDKDKBSSA-N 1 0 290.363 2.285 20 5 CEBDRO [NH3+]Cc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001169005907 811330725 /nfs/dbraw/zinc/33/07/25/811330725.db2.gz VSBCSKDURFKDKP-MWLCHTKSSA-N 1 0 267.304 2.142 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008236 811331672 /nfs/dbraw/zinc/33/16/72/811331672.db2.gz SHHGMUSMBMJPSW-KBXIAJHMSA-N 1 0 283.416 2.140 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001169005972 811332475 /nfs/dbraw/zinc/33/24/75/811332475.db2.gz DQWGWRGSKNNZEK-ZJUUUORDSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCCO3)C1 ZINC001169013451 811334964 /nfs/dbraw/zinc/33/49/64/811334964.db2.gz VIAQTVSHTJICKD-MCIONIFRSA-N 1 0 268.357 2.077 20 5 CEBDRO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988941 811337837 /nfs/dbraw/zinc/33/78/37/811337837.db2.gz VDNVHZSEFFZJEY-YPMHNXCESA-N 1 0 296.342 2.412 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168988619 811337924 /nfs/dbraw/zinc/33/79/24/811337924.db2.gz SYUPYPPXRNGXAY-JQWIXIFHSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]Cc1ccc2cn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)nc2c1 ZINC001168987773 811338082 /nfs/dbraw/zinc/33/80/82/811338082.db2.gz KDBDLNVAGRGNSN-DGCLKSJQSA-N 1 0 274.324 2.113 20 5 CEBDRO CCOC(=O)C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168989861 811340192 /nfs/dbraw/zinc/34/01/92/811340192.db2.gz XEZCZIJGVSFWBS-CHWSQXEVSA-N 1 0 298.383 2.287 20 5 CEBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168990689 811340381 /nfs/dbraw/zinc/34/03/81/811340381.db2.gz DJCASJYWAZSOJK-NJZAAPMLSA-N 1 0 275.352 2.412 20 5 CEBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037545 811349256 /nfs/dbraw/zinc/34/92/56/811349256.db2.gz SGOYWLAJODZRNY-AVGNSLFASA-N 1 0 270.373 2.321 20 5 CEBDRO CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169042052 811350605 /nfs/dbraw/zinc/35/06/05/811350605.db2.gz CSRJDLFERHYUGN-ZIAGYGMSSA-N 1 0 271.405 2.096 20 5 CEBDRO C[N@H+](Cc1cncs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046691 811355738 /nfs/dbraw/zinc/35/57/38/811355738.db2.gz LVJGUUUJYXZELU-NXEZZACHSA-N 1 0 255.343 2.020 20 5 CEBDRO CC1(C)C[C@H](Nc2cnc([N+](=O)[O-])cn2)C[C@](C)(C[NH3+])C1 ZINC001169151163 811415470 /nfs/dbraw/zinc/41/54/70/811415470.db2.gz GPZNXGCMQRMMDB-HZMBPMFUSA-N 1 0 293.371 2.340 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169236453 811456345 /nfs/dbraw/zinc/45/63/45/811456345.db2.gz DUPKVVQPBWSNDC-QMMMGPOBSA-N 1 0 264.260 2.248 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC[C@H]1CCC[NH2+]1 ZINC001169562956 811568438 /nfs/dbraw/zinc/56/84/38/811568438.db2.gz NCCLEYNBAPPGCO-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO [NH3+]Cc1ccn(-c2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001169716639 811640150 /nfs/dbraw/zinc/64/01/50/811640150.db2.gz MHPRXAAXMMASGA-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001156381457 811678662 /nfs/dbraw/zinc/67/86/62/811678662.db2.gz RFJSWOGPVQXRII-SECBINFHSA-N 1 0 299.762 2.182 20 5 CEBDRO CC[C@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157889142 812514078 /nfs/dbraw/zinc/51/40/78/812514078.db2.gz QZOPTDRKUCKUHL-VHSXEESVSA-N 1 0 293.371 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)CC2 ZINC001172902152 815539445 /nfs/dbraw/zinc/53/94/45/815539445.db2.gz WCKJFFDYPHAXMZ-CQDKDKBSSA-N 1 0 290.363 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncnc1)CC2 ZINC001172899880 815539614 /nfs/dbraw/zinc/53/96/14/815539614.db2.gz PMIDPMRAWVCHTP-OAHLLOKOSA-N 1 0 298.346 2.422 20 5 CEBDRO [NH3+][C@H]1CCCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900342 815539625 /nfs/dbraw/zinc/53/96/25/815539625.db2.gz SMZKUNABBMJUEU-GJZGRUSLSA-N 1 0 289.379 2.265 20 5 CEBDRO [NH3+]Cc1cnn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172901989 815539713 /nfs/dbraw/zinc/53/97/13/815539713.db2.gz SDEWZKNVTZCZNZ-AWEZNQCLSA-N 1 0 286.335 2.370 20 5 CEBDRO CCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123666804 815544873 /nfs/dbraw/zinc/54/48/73/815544873.db2.gz ULSLLJARBFESGN-UHFFFAOYSA-N 1 0 285.369 2.052 20 5 CEBDRO C[C@@H]1COCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170816440 813440318 /nfs/dbraw/zinc/44/03/18/813440318.db2.gz BXEKTKQLWGUTPP-SKDRFNHKSA-N 1 0 277.324 2.035 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC2)c1F ZINC001173176897 815616804 /nfs/dbraw/zinc/61/68/04/815616804.db2.gz NKZFMJDYEMYGJB-VHSXEESVSA-N 1 0 298.314 2.052 20 5 CEBDRO COc1ccc(CNCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000697936421 814654556 /nfs/dbraw/zinc/65/45/56/814654556.db2.gz NYCGPQZBBGKPEA-LLVKDONJSA-N 1 0 281.356 2.033 20 5 CEBDRO COCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217213 815623472 /nfs/dbraw/zinc/62/34/72/815623472.db2.gz QPSXJNQXDCWOAO-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cnc(CC[NH3+])n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215117 815623476 /nfs/dbraw/zinc/62/34/76/815623476.db2.gz SJQFJEULIYNFQV-NSHDSACASA-N 1 0 288.351 2.405 20 5 CEBDRO CCC[C@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216425 815623637 /nfs/dbraw/zinc/62/36/37/815623637.db2.gz JJVZKTLPFJUYKB-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(O)CC1 ZINC001173224850 815629463 /nfs/dbraw/zinc/62/94/63/815629463.db2.gz HEEZCDVIQDSGJU-GFCCVEGCSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001173230800 815632877 /nfs/dbraw/zinc/63/28/77/815632877.db2.gz GLQGTLYDFSDEKZ-VBNZEHGJSA-N 1 0 289.379 2.304 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001173231281 815632902 /nfs/dbraw/zinc/63/29/02/815632902.db2.gz AUBAGUVOJWQVTP-LALPHHSUSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccncn1 ZINC001173235958 815634135 /nfs/dbraw/zinc/63/41/35/815634135.db2.gz CZIKURMUADBOBP-LBPRGKRZSA-N 1 0 286.335 2.448 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001173213813 815637152 /nfs/dbraw/zinc/63/71/52/815637152.db2.gz KRXJVRQMWWQBPQ-JSGCOSHPSA-N 1 0 277.368 2.067 20 5 CEBDRO COc1ccc(N(C)c2cc(N)cc[nH+]2)cc1[N+](=O)[O-] ZINC001176362878 816401189 /nfs/dbraw/zinc/40/11/89/816401189.db2.gz ISEYETCQHMGQBL-UHFFFAOYSA-N 1 0 274.280 2.349 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H](O)C(F)F ZINC000601298547 346815561 /nfs/dbraw/zinc/81/55/61/346815561.db2.gz JKPMFSJJJOEDBP-CMPLNLGQSA-N 1 0 286.278 2.188 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000601303524 346816026 /nfs/dbraw/zinc/81/60/26/346816026.db2.gz FSLDSKYKTMHCDG-ICCXJUOJSA-N 1 0 280.324 2.167 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035120996 361816912 /nfs/dbraw/zinc/81/69/12/361816912.db2.gz NRPRPIGKSDHWBG-SECBINFHSA-N 1 0 291.311 2.027 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1C ZINC000449217139 282145006 /nfs/dbraw/zinc/14/50/06/282145006.db2.gz XDQIYORMZIBNBU-NQBHXWOUSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037266973 361902600 /nfs/dbraw/zinc/90/26/00/361902600.db2.gz ZMSGVKVRCQYUST-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449268562 282164143 /nfs/dbraw/zinc/16/41/43/282164143.db2.gz HTBVTQGVSSECNT-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000357057389 282169359 /nfs/dbraw/zinc/16/93/59/282169359.db2.gz VMBXRLHXISZWNH-LBPRGKRZSA-N 1 0 292.364 2.188 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000449332544 282190594 /nfs/dbraw/zinc/19/05/94/282190594.db2.gz RWRAWDBTVLNNRY-LBPRGKRZSA-N 1 0 276.336 2.462 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CCn1c(C)[nH+]c2c1CCCC2 ZINC000601914128 346924891 /nfs/dbraw/zinc/92/48/91/346924891.db2.gz UWMSMQPUDBKXLL-UHFFFAOYSA-N 1 0 289.339 2.184 20 5 CEBDRO CC[NH+](CC)CCSCCn1c(C)ncc1[N+](=O)[O-] ZINC000601914186 346925119 /nfs/dbraw/zinc/92/51/19/346925119.db2.gz UHZIMRXENWMIEG-UHFFFAOYSA-N 1 0 286.401 2.175 20 5 CEBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334573 187233676 /nfs/dbraw/zinc/23/36/76/187233676.db2.gz NUKBKQBXDRKPLK-WCQYABFASA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@@H]([NH2+]CCCn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000126577271 187249398 /nfs/dbraw/zinc/24/93/98/187249398.db2.gz GKMGKZPOFHDCSZ-CQSZACIVSA-N 1 0 289.339 2.317 20 5 CEBDRO CC(C)OC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337335961 214013735 /nfs/dbraw/zinc/01/37/35/214013735.db2.gz LVMXLDISBZLMJF-NSHDSACASA-N 1 0 252.314 2.498 20 5 CEBDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000047889095 362230358 /nfs/dbraw/zinc/23/03/58/362230358.db2.gz OEJQSPFDWDYCIJ-UHFFFAOYSA-N 1 0 274.324 2.349 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000041620744 343442269 /nfs/dbraw/zinc/44/22/69/343442269.db2.gz APVPRAZSKQHHPR-VIFPVBQESA-N 1 0 297.384 2.446 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000041911909 343444105 /nfs/dbraw/zinc/44/41/05/343444105.db2.gz NKXPAPYCUUJWAX-LLVKDONJSA-N 1 0 293.367 2.363 20 5 CEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449514826 282267474 /nfs/dbraw/zinc/26/74/74/282267474.db2.gz XBEXBXVRGWZMSG-KGLIPLIRSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047146825 343512051 /nfs/dbraw/zinc/51/20/51/343512051.db2.gz PXLBVRDEVGOYNV-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO CCCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444221 343499385 /nfs/dbraw/zinc/49/93/85/343499385.db2.gz DOEOBKSLMPGUFT-ZDUSSCGKSA-N 1 0 282.340 2.066 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000601978562 346948495 /nfs/dbraw/zinc/94/84/95/346948495.db2.gz YVBXRJUJRSWXMU-GFCCVEGCSA-N 1 0 291.351 2.103 20 5 CEBDRO CN(CC[N@H+](C)C1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000067711087 343742969 /nfs/dbraw/zinc/74/29/69/343742969.db2.gz CBAAZWWDQXRLLG-UHFFFAOYSA-N 1 0 295.387 2.029 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068911182 343776966 /nfs/dbraw/zinc/77/69/66/343776966.db2.gz XQIFXWBTOUSCRS-LBPRGKRZSA-N 1 0 279.340 2.118 20 5 CEBDRO C[N@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000602076265 346968883 /nfs/dbraw/zinc/96/88/83/346968883.db2.gz WCHSOQQRIQRWOA-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000068935874 343777318 /nfs/dbraw/zinc/77/73/18/343777318.db2.gz MOQILNISLUVFJS-GFCCVEGCSA-N 1 0 291.351 2.055 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000069142591 343781176 /nfs/dbraw/zinc/78/11/76/343781176.db2.gz FYXFQXMBWGAIDS-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1nccn1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069754229 343791016 /nfs/dbraw/zinc/79/10/16/343791016.db2.gz WWPQTCZPSSJXBD-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000602116604 346977394 /nfs/dbraw/zinc/97/73/94/346977394.db2.gz NGULVSKZLZBCLR-GHMZBOCLSA-N 1 0 279.340 2.031 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000602174779 346988173 /nfs/dbraw/zinc/98/81/73/346988173.db2.gz UEZTUMBRHVZQFW-STQMWFEESA-N 1 0 291.351 2.053 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1(C[NH+](C)C)CC1 ZINC000602152116 346983204 /nfs/dbraw/zinc/98/32/04/346983204.db2.gz MYIPSDPDXYOCMI-UHFFFAOYSA-N 1 0 291.351 2.492 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174738 346988384 /nfs/dbraw/zinc/98/83/84/346988384.db2.gz TYAMHWHLGXEUQR-QWHCGFSZSA-N 1 0 291.351 2.053 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075640141 343860534 /nfs/dbraw/zinc/86/05/34/343860534.db2.gz PBIRBODAINJONJ-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449639361 282314871 /nfs/dbraw/zinc/31/48/71/282314871.db2.gz OPBWOERALCDTEQ-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078632032 343959194 /nfs/dbraw/zinc/95/91/94/343959194.db2.gz BCQFYYFIMMOJPV-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049099988 362338818 /nfs/dbraw/zinc/33/88/18/362338818.db2.gz YMQKHAMHXOHJGW-SNVBAGLBSA-N 1 0 280.284 2.009 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449678198 282328279 /nfs/dbraw/zinc/32/82/79/282328279.db2.gz DWMMYGJWWXBFNU-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448941 347037432 /nfs/dbraw/zinc/03/74/32/347037432.db2.gz WKCXJBVRPOVLTP-GFCCVEGCSA-N 1 0 293.367 2.330 20 5 CEBDRO CCc1nn(C)c(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000094166785 344234940 /nfs/dbraw/zinc/23/49/40/344234940.db2.gz WEZRZWPOFWMLKG-SNVBAGLBSA-N 1 0 297.403 2.279 20 5 CEBDRO CC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000338956966 214863385 /nfs/dbraw/zinc/86/33/85/214863385.db2.gz LDEANFDQCQHMQW-UHFFFAOYSA-N 1 0 286.335 2.447 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)C)CC1 ZINC000117190255 344288845 /nfs/dbraw/zinc/28/88/45/344288845.db2.gz UQNFALHJHOQGEE-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122470841 344306471 /nfs/dbraw/zinc/30/64/71/344306471.db2.gz MMKGRAZWKCHCMK-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO COc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136479179 344385308 /nfs/dbraw/zinc/38/53/08/344385308.db2.gz IAPCZOBOTZEROB-LLVKDONJSA-N 1 0 293.323 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([NH+](C)C)CC1 ZINC000142354346 344403235 /nfs/dbraw/zinc/40/32/35/344403235.db2.gz HTJWERVOORPMDF-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO Cn1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602477034 347051454 /nfs/dbraw/zinc/05/14/54/347051454.db2.gz OVSPQQKOMYGBDV-NWDGAFQWSA-N 1 0 296.396 2.188 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162604951 344468056 /nfs/dbraw/zinc/46/80/56/344468056.db2.gz MFOKNTXQKIWHBY-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000050162420 362407241 /nfs/dbraw/zinc/40/72/41/362407241.db2.gz YCAJRYQJUWKQIU-AAEUAGOBSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000226753664 344551517 /nfs/dbraw/zinc/55/15/17/344551517.db2.gz WWUPOJPTULBFSJ-NEPJUHHUSA-N 1 0 262.313 2.029 20 5 CEBDRO [NH3+]CCCCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000228372155 344560396 /nfs/dbraw/zinc/56/03/96/344560396.db2.gz CFRXXXPJIABDPP-UHFFFAOYSA-N 1 0 295.730 2.110 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000228560302 344560810 /nfs/dbraw/zinc/56/08/10/344560810.db2.gz INRNLSWKOLICQD-SNVBAGLBSA-N 1 0 260.253 2.069 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000051916535 362447950 /nfs/dbraw/zinc/44/79/50/362447950.db2.gz XWWJQXIUFDYJKL-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000265118594 344658545 /nfs/dbraw/zinc/65/85/45/344658545.db2.gz JLFGRIXXLLXECU-UHFFFAOYSA-N 1 0 282.340 2.066 20 5 CEBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864052 344637862 /nfs/dbraw/zinc/63/78/62/344637862.db2.gz TVOITARIADJRMT-GXTWGEPZSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1nccn1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602518340 347064318 /nfs/dbraw/zinc/06/43/18/347064318.db2.gz PSWSMBUWYCHYIK-UHFFFAOYSA-N 1 0 288.351 2.322 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517176 347064714 /nfs/dbraw/zinc/06/47/14/347064714.db2.gz XAPDAGTWAADIQT-LLVKDONJSA-N 1 0 291.351 2.084 20 5 CEBDRO C[NH2+][C@H](C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000311354418 344733735 /nfs/dbraw/zinc/73/37/35/344733735.db2.gz BUBQWNMDYPHFOP-SSDOTTSWSA-N 1 0 281.703 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000292981310 344690321 /nfs/dbraw/zinc/69/03/21/344690321.db2.gz BHGNSSDNFMPWTJ-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602537656 347070222 /nfs/dbraw/zinc/07/02/22/347070222.db2.gz BFQXJGSVWOLTDY-CYBMUJFWSA-N 1 0 280.324 2.132 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000304098113 344706027 /nfs/dbraw/zinc/70/60/27/344706027.db2.gz FZHCSWCBVVVXPE-YPMHNXCESA-N 1 0 296.367 2.359 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000602551437 347073087 /nfs/dbraw/zinc/07/30/87/347073087.db2.gz DGIOYRKIQDIXEM-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000413448103 530055087 /nfs/dbraw/zinc/05/50/87/530055087.db2.gz WKLCBCIMVFECAT-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602554724 347074833 /nfs/dbraw/zinc/07/48/33/347074833.db2.gz OHKXBULZPMPMOV-GZMMTYOYSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@H](C)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568928 347081648 /nfs/dbraw/zinc/08/16/48/347081648.db2.gz ZLHCZHWTKTXCDR-SMDDNHRTSA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000127277646 187293569 /nfs/dbraw/zinc/29/35/69/187293569.db2.gz FUCQBSJLTQSPPF-ZDUSSCGKSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000402819351 344873822 /nfs/dbraw/zinc/87/38/22/344873822.db2.gz HASMSQKEKOHPRC-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589106860 345065958 /nfs/dbraw/zinc/06/59/58/345065958.db2.gz MRUHLUZSTWDTAA-JTQLQIEISA-N 1 0 298.774 2.209 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000590657331 345156448 /nfs/dbraw/zinc/15/64/48/345156448.db2.gz GKUHKVWITHDBTJ-OLZOCXBDSA-N 1 0 292.335 2.335 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000127371688 187300664 /nfs/dbraw/zinc/30/06/64/187300664.db2.gz FZCLTNQAGYEGKU-JTQLQIEISA-N 1 0 297.380 2.294 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140089 345223863 /nfs/dbraw/zinc/22/38/63/345223863.db2.gz KVFBVUIOAMJBFG-VIFPVBQESA-N 1 0 268.292 2.024 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591143127 345224409 /nfs/dbraw/zinc/22/44/09/345224409.db2.gz MSTJAKQJBFMWRK-SNVBAGLBSA-N 1 0 282.319 2.096 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000591275569 345236624 /nfs/dbraw/zinc/23/66/24/345236624.db2.gz DVAKFLYBUXBJAU-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591298951 345238012 /nfs/dbraw/zinc/23/80/12/345238012.db2.gz JKGYQSAFBQRQDB-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000591442892 345256399 /nfs/dbraw/zinc/25/63/99/345256399.db2.gz IWJJHULNPNCUOK-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC=CC1)OCCO2 ZINC000591501577 345261800 /nfs/dbraw/zinc/26/18/00/345261800.db2.gz XKUHTSYVJNALHI-UHFFFAOYSA-N 1 0 276.292 2.174 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCNC1CC1 ZINC000591577254 345265932 /nfs/dbraw/zinc/26/59/32/345265932.db2.gz GYXMCRVUODKSOF-GFCCVEGCSA-N 1 0 277.368 2.258 20 5 CEBDRO CCC[C@H](NC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580555 345266819 /nfs/dbraw/zinc/26/68/19/345266819.db2.gz AACRBPYGADDXMP-GWCFXTLKSA-N 1 0 251.330 2.373 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000592374441 345347444 /nfs/dbraw/zinc/34/74/44/345347444.db2.gz GYVWVTIMGJUYEM-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427590 345351645 /nfs/dbraw/zinc/35/16/45/345351645.db2.gz GDUCPXVORYVYTI-DOMZBBRYSA-N 1 0 277.368 2.462 20 5 CEBDRO CCC(C)(C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273249882 192087996 /nfs/dbraw/zinc/08/79/96/192087996.db2.gz YFUJBYQUPZDYTE-GFCCVEGCSA-N 1 0 296.367 2.455 20 5 CEBDRO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489504 345359646 /nfs/dbraw/zinc/35/96/46/345359646.db2.gz YCWVBEORJPVNFC-QWHCGFSZSA-N 1 0 293.367 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592493990 345360138 /nfs/dbraw/zinc/36/01/38/345360138.db2.gz MYSRJLNAAHLZAY-CYBMUJFWSA-N 1 0 275.352 2.169 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000295115326 199352756 /nfs/dbraw/zinc/35/27/56/199352756.db2.gz WPPLPADNLKYYJJ-BXUZGUMPSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000593229923 345455985 /nfs/dbraw/zinc/45/59/85/345455985.db2.gz RNBPQBFQJNGOTJ-XHDPSFHLSA-N 1 0 298.346 2.331 20 5 CEBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000593729047 345528519 /nfs/dbraw/zinc/52/85/19/345528519.db2.gz DIQZFCCXALKVRW-NHYWBVRUSA-N 1 0 293.342 2.295 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594599993 345655928 /nfs/dbraw/zinc/65/59/28/345655928.db2.gz KYECQOIWIUEUCO-AAEUAGOBSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594601266 345656832 /nfs/dbraw/zinc/65/68/32/345656832.db2.gz NDBPXIXBBBUNHV-NXEZZACHSA-N 1 0 282.369 2.480 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)[NH3+] ZINC000594734613 345681049 /nfs/dbraw/zinc/68/10/49/345681049.db2.gz CNTFBRTYNXFMTJ-UHFFFAOYSA-N 1 0 251.330 2.072 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936850 345709572 /nfs/dbraw/zinc/70/95/72/345709572.db2.gz WXWCXTRZODJRRM-XKAARJIMSA-N 1 0 292.335 2.443 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000594938695 345710306 /nfs/dbraw/zinc/71/03/06/345710306.db2.gz OKCYIYBYTFYOEV-KGYLQXTDSA-N 1 0 292.335 2.190 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)C1CCC1 ZINC000594956318 345715574 /nfs/dbraw/zinc/71/55/74/345715574.db2.gz JGZUXCONPQXESE-PXYYCUNGSA-N 1 0 276.336 2.359 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964644 345718605 /nfs/dbraw/zinc/71/86/05/345718605.db2.gz LLKHEDIIGTUDEK-ZGLRSVDFSA-N 1 0 296.392 2.374 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594995704 345723185 /nfs/dbraw/zinc/72/31/85/345723185.db2.gz OSCFWGLPSDWYGZ-OLZOCXBDSA-N 1 0 250.298 2.170 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000595017707 345728225 /nfs/dbraw/zinc/72/82/25/345728225.db2.gz NDJVENSLNUIFOF-NEPJUHHUSA-N 1 0 293.367 2.348 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021457 345728966 /nfs/dbraw/zinc/72/89/66/345728966.db2.gz XVQKDIZLIZOVIY-YGRLFVJLSA-N 1 0 282.340 2.415 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023557 345729763 /nfs/dbraw/zinc/72/97/63/345729763.db2.gz CWBPCPLCSKURBT-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000595036134 345732234 /nfs/dbraw/zinc/73/22/34/345732234.db2.gz PNEKHHGCBDOFIV-ZJUUUORDSA-N 1 0 266.297 2.043 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000595036771 345732241 /nfs/dbraw/zinc/73/22/41/345732241.db2.gz VZPBREAOQLOXOQ-JQWIXIFHSA-N 1 0 294.351 2.415 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000595387225 345772032 /nfs/dbraw/zinc/77/20/32/345772032.db2.gz BYGIPVNAABKTJI-RISCZKNCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390892 345773271 /nfs/dbraw/zinc/77/32/71/345773271.db2.gz ZPUXABXGNDAFKB-MNOVXSKESA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407844 345775956 /nfs/dbraw/zinc/77/59/56/345775956.db2.gz HJHWAAMEDSOYRJ-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO COc1cc(C[NH2+]C2(CCO)CCCC2)ccc1[N+](=O)[O-] ZINC000595508974 345799163 /nfs/dbraw/zinc/79/91/63/345799163.db2.gz MNCCBTAMJPLUJO-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO CCOC[C@@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595537278 345805802 /nfs/dbraw/zinc/80/58/02/345805802.db2.gz ADMYYDLEQQLOMD-NSHDSACASA-N 1 0 283.328 2.282 20 5 CEBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595706820 345855937 /nfs/dbraw/zinc/85/59/37/345855937.db2.gz LWTLKFLVGPSFTL-SMDDNHRTSA-N 1 0 286.335 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000595633644 345833390 /nfs/dbraw/zinc/83/33/90/345833390.db2.gz RLBMQDXRGGWSEU-IJEWVQPXSA-N 1 0 290.363 2.230 20 5 CEBDRO CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660327 345841074 /nfs/dbraw/zinc/84/10/74/345841074.db2.gz FEDBOWUIHICBEF-WFASDCNBSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000595827003 345887339 /nfs/dbraw/zinc/88/73/39/345887339.db2.gz BVUNYYABPOEMLP-NEPJUHHUSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595836660 345892727 /nfs/dbraw/zinc/89/27/27/345892727.db2.gz XXACISQVEUYYMK-STQMWFEESA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595750186 345865694 /nfs/dbraw/zinc/86/56/94/345865694.db2.gz PZWPTKZFZSNBSM-VXGBXAGGSA-N 1 0 278.352 2.086 20 5 CEBDRO C[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595750185 345865817 /nfs/dbraw/zinc/86/58/17/345865817.db2.gz PZWPTKZFZSNBSM-RYUDHWBXSA-N 1 0 278.352 2.086 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756919 345868410 /nfs/dbraw/zinc/86/84/10/345868410.db2.gz HRINNXWCFPSHQD-GXTWGEPZSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H](O)[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595767854 345871815 /nfs/dbraw/zinc/87/18/15/345871815.db2.gz DKNPWZUCFDUIBW-JOYOIKCWSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)[NH3+] ZINC000595903333 345910782 /nfs/dbraw/zinc/91/07/82/345910782.db2.gz VJSFIGSFNSFILB-SNVBAGLBSA-N 1 0 251.330 2.325 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595928544 345914464 /nfs/dbraw/zinc/91/44/64/345914464.db2.gz KNBYDLYQDBHYSX-AWEZNQCLSA-N 1 0 293.367 2.330 20 5 CEBDRO CCc1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595951319 345917537 /nfs/dbraw/zinc/91/75/37/345917537.db2.gz PQHYESROPVTZDY-CYBMUJFWSA-N 1 0 293.367 2.260 20 5 CEBDRO CC1CC[NH+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596062483 345930897 /nfs/dbraw/zinc/93/08/97/345930897.db2.gz PZNCDSNEDQNIPQ-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000596013199 345923275 /nfs/dbraw/zinc/92/32/75/345923275.db2.gz DOXVEHMTRVKEGY-SRVKXCTJSA-N 1 0 293.367 2.413 20 5 CEBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000596079080 345934901 /nfs/dbraw/zinc/93/49/01/345934901.db2.gz YGJMZFAZPOFTIS-MNOVXSKESA-N 1 0 294.355 2.228 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCCF ZINC000596095515 345938633 /nfs/dbraw/zinc/93/86/33/345938633.db2.gz QLQZJQDYGFVZJE-GFCCVEGCSA-N 1 0 268.288 2.158 20 5 CEBDRO C[C@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596434661 346023180 /nfs/dbraw/zinc/02/31/80/346023180.db2.gz XWKRQYAYZPIEGM-MRVPVSSYSA-N 1 0 272.736 2.395 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000596453707 346027833 /nfs/dbraw/zinc/02/78/33/346027833.db2.gz MBVDFOFKGMPFNO-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597047275 346120209 /nfs/dbraw/zinc/12/02/09/346120209.db2.gz PWUCLEQAWXCITA-OCCSQVGLSA-N 1 0 262.309 2.252 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@H](C)O)CC1 ZINC000597235055 346157649 /nfs/dbraw/zinc/15/76/49/346157649.db2.gz SNQXLIHHLUTJTO-NEPJUHHUSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597995941 346265668 /nfs/dbraw/zinc/26/56/68/346265668.db2.gz HEYVJFKFGKYHNI-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598041236 346274521 /nfs/dbraw/zinc/27/45/21/346274521.db2.gz JYVNWCDSHJBFQD-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH2+]C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000598634206 346389079 /nfs/dbraw/zinc/38/90/79/346389079.db2.gz SYIOZUPYTFECGX-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062852855 362725299 /nfs/dbraw/zinc/72/52/99/362725299.db2.gz TUZOPDFKDLCUCZ-AWEZNQCLSA-N 1 0 277.324 2.231 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599000796 346444669 /nfs/dbraw/zinc/44/46/69/346444669.db2.gz WDEGJLMUHIQCLD-DYNIEEOBSA-N 1 0 264.325 2.496 20 5 CEBDRO [NH3+]C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598914484 346433395 /nfs/dbraw/zinc/43/33/95/346433395.db2.gz GBYFVRCDCLKHRF-UHFFFAOYSA-N 1 0 296.302 2.125 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261780784 282475844 /nfs/dbraw/zinc/47/58/44/282475844.db2.gz LCYKMDDLBAZUEE-WCBMZHEXSA-N 1 0 297.380 2.164 20 5 CEBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598988647 346442806 /nfs/dbraw/zinc/44/28/06/346442806.db2.gz UITFLUKBJWLPKX-SMDDNHRTSA-N 1 0 262.309 2.252 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599056429 346453832 /nfs/dbraw/zinc/45/38/32/346453832.db2.gz YLVLHLCSOAWOKJ-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO CCC(CC)[NH2+]CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000599096983 346459879 /nfs/dbraw/zinc/45/98/79/346459879.db2.gz CZANPGQKJFKMDC-UHFFFAOYSA-N 1 0 297.384 2.494 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](C)C1 ZINC000599141045 346466553 /nfs/dbraw/zinc/46/65/53/346466553.db2.gz YUVBNNYFMZTWNP-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000063218439 362762617 /nfs/dbraw/zinc/76/26/17/362762617.db2.gz DHFZXDVYSVUGKA-HNNXBMFYSA-N 1 0 286.331 2.288 20 5 CEBDRO Cc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000128996611 365816273 /nfs/dbraw/zinc/81/62/73/365816273.db2.gz HXFARCSFYDSQSQ-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681650 346673026 /nfs/dbraw/zinc/67/30/26/346673026.db2.gz ZVYJEIYTKVOIQH-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCOC2)c(F)c1 ZINC000336809498 365847049 /nfs/dbraw/zinc/84/70/49/365847049.db2.gz FQMLSDQPPKJFHL-SNVBAGLBSA-N 1 0 268.288 2.250 20 5 CEBDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000601111577 346756363 /nfs/dbraw/zinc/75/63/63/346756363.db2.gz SHNHQYBYOQYBHE-UHFFFAOYSA-N 1 0 278.287 2.029 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150883 346770583 /nfs/dbraw/zinc/77/05/83/346770583.db2.gz HEYFDFQWFIMMEQ-GZMMTYOYSA-N 1 0 292.257 2.305 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601158191 346772269 /nfs/dbraw/zinc/77/22/69/346772269.db2.gz OKAUEULGPZPKBL-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601165744 346774608 /nfs/dbraw/zinc/77/46/08/346774608.db2.gz FWLLQQSYWWKZLQ-UHFFFAOYSA-N 1 0 294.330 2.051 20 5 CEBDRO CC[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000601170782 346776182 /nfs/dbraw/zinc/77/61/82/346776182.db2.gz FIZVDHGUFIPTIV-BXKDBHETSA-N 1 0 275.308 2.136 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000601188725 346781255 /nfs/dbraw/zinc/78/12/55/346781255.db2.gz MFNSWEXPFYHUFB-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC000601184816 346779685 /nfs/dbraw/zinc/77/96/85/346779685.db2.gz OMLPXXGZCXOLDN-OLZOCXBDSA-N 1 0 275.352 2.291 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)n1ccnc1 ZINC000601198608 346785285 /nfs/dbraw/zinc/78/52/85/346785285.db2.gz YVYPCXDPYRYEPT-UHFFFAOYSA-N 1 0 275.312 2.342 20 5 CEBDRO Cn1cc(CN2CCC=C(c3ccco3)C2)c([N+](=O)[O-])n1 ZINC000602651202 347124013 /nfs/dbraw/zinc/12/40/13/347124013.db2.gz RGKKJYNMRQCPRV-UHFFFAOYSA-N 1 0 288.307 2.211 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000336818073 365862952 /nfs/dbraw/zinc/86/29/52/365862952.db2.gz TWMTYTWOFYRCML-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(CF)CCOCC2)cc1 ZINC000602680532 347140948 /nfs/dbraw/zinc/14/09/48/347140948.db2.gz PATJPNSYUIYOEQ-UHFFFAOYSA-N 1 0 282.315 2.246 20 5 CEBDRO CCc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602685071 347144929 /nfs/dbraw/zinc/14/49/29/347144929.db2.gz XNDGBWKBZLBVTL-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000602691493 347149675 /nfs/dbraw/zinc/14/96/75/347149675.db2.gz CXPAJGJCSYHSJI-UONOGXRCSA-N 1 0 278.352 2.278 20 5 CEBDRO CCOC1CC(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])C1 ZINC000602659415 347127862 /nfs/dbraw/zinc/12/78/62/347127862.db2.gz NIZVPZNTSKLSRZ-UHFFFAOYSA-N 1 0 293.367 2.175 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738245 347180139 /nfs/dbraw/zinc/18/01/39/347180139.db2.gz CBQFKFPODUKHCB-HNNXBMFYSA-N 1 0 278.352 2.374 20 5 CEBDRO Cn1cc(C[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602841427 347220517 /nfs/dbraw/zinc/22/05/17/347220517.db2.gz QUAVUZUVNYQJCE-UHFFFAOYSA-N 1 0 264.329 2.235 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000602845123 347222744 /nfs/dbraw/zinc/22/27/44/347222744.db2.gz FNIYKGFFAKRMMQ-CYBMUJFWSA-N 1 0 278.356 2.222 20 5 CEBDRO C[C@@](CO)([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962882 347258505 /nfs/dbraw/zinc/25/85/05/347258505.db2.gz PXWANVVRKZGFIR-AWEZNQCLSA-N 1 0 264.325 2.192 20 5 CEBDRO CSCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966106 347259071 /nfs/dbraw/zinc/25/90/71/347259071.db2.gz WYWRMBXDTHZTLV-CYBMUJFWSA-N 1 0 284.381 2.145 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085985263 179211247 /nfs/dbraw/zinc/21/12/47/179211247.db2.gz NGBUOXQQGUFQKD-JSGCOSHPSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH2+]C(C)(C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603187000 347303245 /nfs/dbraw/zinc/30/32/45/347303245.db2.gz ZDMATWAXXMCLER-SNVBAGLBSA-N 1 0 289.339 2.250 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])s1 ZINC000609143679 347628151 /nfs/dbraw/zinc/62/81/51/347628151.db2.gz IGVBFDIXEPBTMU-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO CCc1nocc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000339334572 215101090 /nfs/dbraw/zinc/10/10/90/215101090.db2.gz DVXNSMDPGOTIKS-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610762785 347712937 /nfs/dbraw/zinc/71/29/37/347712937.db2.gz VIWXDRFRNXVMGB-WCQYABFASA-N 1 0 292.335 2.467 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000610281824 347669496 /nfs/dbraw/zinc/66/94/96/347669496.db2.gz OFEAZNLTJCAZQQ-SNVBAGLBSA-N 1 0 265.338 2.107 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000611116261 347741153 /nfs/dbraw/zinc/74/11/53/347741153.db2.gz NBWMIEPRYZGZTP-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+](C)C)C2)c1 ZINC000611132794 347742847 /nfs/dbraw/zinc/74/28/47/347742847.db2.gz OUTKCZMXBLAZEE-CYBMUJFWSA-N 1 0 293.367 2.060 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612135268 347848318 /nfs/dbraw/zinc/84/83/18/347848318.db2.gz YELKZMNGMHDUPR-NDPMZMCLSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086469627 179299868 /nfs/dbraw/zinc/29/98/68/179299868.db2.gz HFGUNMIQTPGRQQ-MNOVXSKESA-N 1 0 263.341 2.085 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000612577400 347903763 /nfs/dbraw/zinc/90/37/63/347903763.db2.gz FCXXUEYIQURYBU-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580246 347903958 /nfs/dbraw/zinc/90/39/58/347903958.db2.gz DOQPMKVZSGYKDV-LBPRGKRZSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000351957274 219265926 /nfs/dbraw/zinc/26/59/26/219265926.db2.gz FUKCTNKKXWVVMZ-NXEZZACHSA-N 1 0 269.370 2.181 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125715 233010351 /nfs/dbraw/zinc/01/03/51/233010351.db2.gz WBSGLFBLFIJPKC-SUXDSQMHSA-N 1 0 287.363 2.149 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000088060278 179543472 /nfs/dbraw/zinc/54/34/72/179543472.db2.gz DZQGTFHMWBTZJN-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO CSCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618561700 348976275 /nfs/dbraw/zinc/97/62/75/348976275.db2.gz OFVMACZHJLVTEZ-WDEREUQCSA-N 1 0 284.385 2.228 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000273997343 192395973 /nfs/dbraw/zinc/39/59/73/192395973.db2.gz KKFHEUVZQGCLLD-GHMZBOCLSA-N 1 0 280.324 2.272 20 5 CEBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825183 539731324 /nfs/dbraw/zinc/73/13/24/539731324.db2.gz AHYOZPFHQURLRZ-GXFFZTMASA-N 1 0 284.381 2.359 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692107 180024857 /nfs/dbraw/zinc/02/48/57/180024857.db2.gz HFCCCAZYFFUDCN-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO CCC[C@@H]([NH2+]CC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949077 180071372 /nfs/dbraw/zinc/07/13/72/180071372.db2.gz LSHXCOQUNGJKAH-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO COc1cc(NCC[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000091459817 180161070 /nfs/dbraw/zinc/16/10/70/180161070.db2.gz HLIMBNFGKXHFKT-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO CC[NH+](CC)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794566 186071197 /nfs/dbraw/zinc/07/11/97/186071197.db2.gz XKJDGQXTMLRMLT-UHFFFAOYSA-N 1 0 277.328 2.225 20 5 CEBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000339730865 215318944 /nfs/dbraw/zinc/31/89/44/215318944.db2.gz JXFNUNIOADZJCT-CQSZACIVSA-N 1 0 278.352 2.482 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000130580580 365969026 /nfs/dbraw/zinc/96/90/26/365969026.db2.gz VHNFJZMUXKOQFC-QWRGUYRKSA-N 1 0 280.324 2.118 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107686859 186185349 /nfs/dbraw/zinc/18/53/49/186185349.db2.gz BKDPDUKMDBGKBW-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504833 186257511 /nfs/dbraw/zinc/25/75/11/186257511.db2.gz MGCBMETYNLDRNM-YUMQZZPRSA-N 1 0 262.269 2.096 20 5 CEBDRO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000109391130 186250644 /nfs/dbraw/zinc/25/06/44/186250644.db2.gz LZYMRFVDYSTKGP-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271421112 191128202 /nfs/dbraw/zinc/12/82/02/191128202.db2.gz MCLSUSKJWNIXCW-CQSZACIVSA-N 1 0 292.335 2.370 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000569062875 299176590 /nfs/dbraw/zinc/17/65/90/299176590.db2.gz WYYFCCMNBFDADA-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000070187754 363049813 /nfs/dbraw/zinc/04/98/13/363049813.db2.gz GZAXZGBBUMXYMS-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000122266480 187023440 /nfs/dbraw/zinc/02/34/40/187023440.db2.gz SFMMXHZYSLIHQU-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000337215811 366081758 /nfs/dbraw/zinc/08/17/58/366081758.db2.gz HBTUPMJWXIXHLS-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000122716973 187047406 /nfs/dbraw/zinc/04/74/06/187047406.db2.gz BTGCLQASYIBNLG-JTQLQIEISA-N 1 0 285.369 2.102 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271482398 191163822 /nfs/dbraw/zinc/16/38/22/191163822.db2.gz XWNNELCOMCLHIZ-CYBMUJFWSA-N 1 0 292.335 2.370 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271528120 191193735 /nfs/dbraw/zinc/19/37/35/191193735.db2.gz PHNSWRLROAZPOS-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000073000354 363191174 /nfs/dbraw/zinc/19/11/74/363191174.db2.gz ZGLLXFLSHUIYNG-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463791 187831639 /nfs/dbraw/zinc/83/16/39/187831639.db2.gz XLUMKJAYPFXKFP-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155337354 188199962 /nfs/dbraw/zinc/19/99/62/188199962.db2.gz LNTRHPBKJVEQBH-AAEUAGOBSA-N 1 0 291.351 2.053 20 5 CEBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292532955 198322938 /nfs/dbraw/zinc/32/29/38/198322938.db2.gz ZOLUNUHECVCSCP-LLVKDONJSA-N 1 0 293.367 2.085 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337226154 366089920 /nfs/dbraw/zinc/08/99/20/366089920.db2.gz QQJUBZXJIMGYHG-JQWIXIFHSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000337231661 366094241 /nfs/dbraw/zinc/09/42/41/366094241.db2.gz XJBITOIGFJHFSL-VHSXEESVSA-N 1 0 268.288 2.249 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451460021 282996413 /nfs/dbraw/zinc/99/64/13/282996413.db2.gz RDKJRWOBMDOQQC-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC12CCCC2 ZINC000451460022 282996718 /nfs/dbraw/zinc/99/67/18/282996718.db2.gz RDKJRWOBMDOQQC-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495244900 291027807 /nfs/dbraw/zinc/02/78/07/291027807.db2.gz YGGMHHFIUWKQKK-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000133416043 366222752 /nfs/dbraw/zinc/22/27/52/366222752.db2.gz CZPJWZHXBKNION-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000074727030 363376263 /nfs/dbraw/zinc/37/62/63/363376263.db2.gz GJHBKMPIDAPWAJ-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749545 363382619 /nfs/dbraw/zinc/38/26/19/363382619.db2.gz SQTFIZHJQRATOJ-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000451629506 283057525 /nfs/dbraw/zinc/05/75/25/283057525.db2.gz HSCVXUNQVQHOKJ-DGCLKSJQSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778811 191321379 /nfs/dbraw/zinc/32/13/79/191321379.db2.gz KNLZXHGYWBKGGC-OCCSQVGLSA-N 1 0 296.367 2.340 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2COCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451813602 283114058 /nfs/dbraw/zinc/11/40/58/283114058.db2.gz RHTGNLYGYRFFSZ-CYBMUJFWSA-N 1 0 298.314 2.257 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272557388 283151582 /nfs/dbraw/zinc/15/15/82/283151582.db2.gz DPQNBAGYJOIHLB-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452007687 283159905 /nfs/dbraw/zinc/15/99/05/283159905.db2.gz NSDGFMPCSFBWHQ-SNVBAGLBSA-N 1 0 252.318 2.054 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cn2)CCCCC1 ZINC000273658285 192250507 /nfs/dbraw/zinc/25/05/07/192250507.db2.gz VOZBBYDFIBJFFL-UHFFFAOYSA-N 1 0 279.344 2.061 20 5 CEBDRO CC[NH+](CC)CCN(CC(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000273719551 192277048 /nfs/dbraw/zinc/27/70/48/192277048.db2.gz GMYXRGAMERCDEM-UHFFFAOYSA-N 1 0 295.387 2.189 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000134822817 366362446 /nfs/dbraw/zinc/36/24/46/366362446.db2.gz BOGRCNXEYWRRHT-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000174852487 283269028 /nfs/dbraw/zinc/26/90/28/283269028.db2.gz UKRXLYWVNLFICT-CQSZACIVSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425262 199034460 /nfs/dbraw/zinc/03/44/60/199034460.db2.gz ULSQPBXZIVEAMN-SNVBAGLBSA-N 1 0 277.324 2.174 20 5 CEBDRO COCCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000079402093 363595056 /nfs/dbraw/zinc/59/50/56/363595056.db2.gz XTXZYJPHSJAQLK-UHFFFAOYSA-N 1 0 296.367 2.468 20 5 CEBDRO COc1cccc(NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135052824 366390875 /nfs/dbraw/zinc/39/08/75/366390875.db2.gz RDVOYGDORRNGMX-LLVKDONJSA-N 1 0 279.340 2.405 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306411 366423919 /nfs/dbraw/zinc/42/39/19/366423919.db2.gz IZMKUGBVANWGCM-CWSCBRNRSA-N 1 0 250.298 2.423 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463150 366442395 /nfs/dbraw/zinc/44/23/95/366442395.db2.gz QGBPIXAGUOLSJH-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO COc1cc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000338783240 366520862 /nfs/dbraw/zinc/52/08/62/366520862.db2.gz FZNHKMLYDGHJAW-NXEZZACHSA-N 1 0 297.330 2.271 20 5 CEBDRO Cc1ccnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000571186880 299298615 /nfs/dbraw/zinc/29/86/15/299298615.db2.gz KYJAAWUZPMBSGZ-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000148479854 366582936 /nfs/dbraw/zinc/58/29/36/366582936.db2.gz CMJIMQHPPGWRKE-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298135371 200342258 /nfs/dbraw/zinc/34/22/58/200342258.db2.gz BNZPNGOCMOIYNL-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453300161 283522771 /nfs/dbraw/zinc/52/27/71/283522771.db2.gz VLVTWEXBCAAOJK-UXIGCNINSA-N 1 0 294.351 2.297 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392107 283549089 /nfs/dbraw/zinc/54/90/89/283549089.db2.gz ZDAYECKEQWJACW-HZMBPMFUSA-N 1 0 291.351 2.086 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373491 189111464 /nfs/dbraw/zinc/11/14/64/189111464.db2.gz KDTYSVXLENEKSK-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000179143667 189172729 /nfs/dbraw/zinc/17/27/29/189172729.db2.gz OZFZYZLEFGPRJX-LBPRGKRZSA-N 1 0 278.308 2.122 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342223656 216267535 /nfs/dbraw/zinc/26/75/35/216267535.db2.gz IQSYBPDQAGWWON-VFFGBVLKSA-N 1 0 263.341 2.148 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCOC1 ZINC000342309861 216302983 /nfs/dbraw/zinc/30/29/83/216302983.db2.gz HUWQXZNASULERJ-ACVFHECNSA-N 1 0 262.309 2.377 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181866858 189309061 /nfs/dbraw/zinc/30/90/61/189309061.db2.gz ISZPEHHYIGGDEW-OLZOCXBDSA-N 1 0 296.367 2.312 20 5 CEBDRO COc1cc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000301614200 201097880 /nfs/dbraw/zinc/09/78/80/201097880.db2.gz HWTFDUHJWZCWPE-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1nc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301621738 201099465 /nfs/dbraw/zinc/09/94/65/201099465.db2.gz FNORJVRWLXBCNA-GFCCVEGCSA-N 1 0 264.329 2.050 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+]C[C@](C)(F)C1 ZINC000580294859 366777046 /nfs/dbraw/zinc/77/70/46/366777046.db2.gz ZUEMFODOJPDXBQ-ZDUSSCGKSA-N 1 0 267.304 2.041 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000301741993 201171020 /nfs/dbraw/zinc/17/10/20/201171020.db2.gz LMUMKPYTJGMGFP-LLVKDONJSA-N 1 0 284.747 2.395 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428926 361534859 /nfs/dbraw/zinc/53/48/59/361534859.db2.gz HJPUPYWYQCWJNP-QPUJVOFHSA-N 1 0 265.313 2.215 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089090779 363927656 /nfs/dbraw/zinc/92/76/56/363927656.db2.gz GOBJSZVRZOKINL-LDYMZIIASA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090010120 364035813 /nfs/dbraw/zinc/03/58/13/364035813.db2.gz PAAAGDXACPPFSB-HNNXBMFYSA-N 1 0 276.336 2.248 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000090794615 364064295 /nfs/dbraw/zinc/06/42/95/364064295.db2.gz BNXPZUACFAWXSV-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000111404538 364734708 /nfs/dbraw/zinc/73/47/08/364734708.db2.gz WPCDALRIAKHFDB-CQSZACIVSA-N 1 0 266.341 2.482 20 5 CEBDRO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000113507100 364901973 /nfs/dbraw/zinc/90/19/73/364901973.db2.gz XRBAJVPQRGEWBO-UHFFFAOYSA-N 1 0 280.324 2.368 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199457 364931440 /nfs/dbraw/zinc/93/14/40/364931440.db2.gz UZGIGBOHWDLUFE-CQSZACIVSA-N 1 0 277.368 2.021 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000572212311 299352921 /nfs/dbraw/zinc/35/29/21/299352921.db2.gz QHADFEJDCVNZGT-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000159095920 366876421 /nfs/dbraw/zinc/87/64/21/366876421.db2.gz YZJTXUYLASKLNZ-BXUZGUMPSA-N 1 0 294.351 2.339 20 5 CEBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275592266 193081487 /nfs/dbraw/zinc/08/14/87/193081487.db2.gz GITZYINREBSJLZ-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000160658917 367025045 /nfs/dbraw/zinc/02/50/45/367025045.db2.gz KHTWSTAKMHFDAP-LLVKDONJSA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597922966 367209437 /nfs/dbraw/zinc/20/94/37/367209437.db2.gz HQCNZXCVEDZRPN-SECBINFHSA-N 1 0 297.380 2.259 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597922967 367209591 /nfs/dbraw/zinc/20/95/91/367209591.db2.gz HQCNZXCVEDZRPN-VIFPVBQESA-N 1 0 297.380 2.259 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[NH+](C)C ZINC000341296237 367274196 /nfs/dbraw/zinc/27/41/96/367274196.db2.gz SIZRAWFXCFUDLT-UHFFFAOYSA-N 1 0 295.339 2.053 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342081245 367384851 /nfs/dbraw/zinc/38/48/51/367384851.db2.gz VYKFWCXREYPMEZ-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766134 367409028 /nfs/dbraw/zinc/40/90/28/367409028.db2.gz GMDHIYRKMFVOIG-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774481 367411854 /nfs/dbraw/zinc/41/18/54/367411854.db2.gz YLYJOPJEKMJBNU-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000171237756 367501687 /nfs/dbraw/zinc/50/16/87/367501687.db2.gz PIOXZUCLCYNCIF-UHFFFAOYSA-N 1 0 292.335 2.180 20 5 CEBDRO C[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000171576689 367570209 /nfs/dbraw/zinc/57/02/09/367570209.db2.gz GIKSUPLORLUHRF-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342861731 367575935 /nfs/dbraw/zinc/57/59/35/367575935.db2.gz WNRQRXWUAOLMLA-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275907142 193160029 /nfs/dbraw/zinc/16/00/29/193160029.db2.gz SRZYVYXWFMZURZ-MQMHXKEQSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000245912653 370887624 /nfs/dbraw/zinc/88/76/24/370887624.db2.gz FYWNIEOGKUVRAI-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000172969821 367849764 /nfs/dbraw/zinc/84/97/64/367849764.db2.gz KPCXPUVRRYNTQW-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO CC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362376 367902105 /nfs/dbraw/zinc/90/21/05/367902105.db2.gz LAVJXZSVMBTOOJ-IUODEOHRSA-N 1 0 277.368 2.415 20 5 CEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344456473 368126159 /nfs/dbraw/zinc/12/61/59/368126159.db2.gz PSDHFGKUYOTEJS-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO CCSCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174882767 368075912 /nfs/dbraw/zinc/07/59/12/368075912.db2.gz KEJCQHOSXHYTOY-NSHDSACASA-N 1 0 286.401 2.255 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH3+])C1 ZINC000346100337 368544460 /nfs/dbraw/zinc/54/44/60/368544460.db2.gz SFSZGNYAPVBMCN-ZDUSSCGKSA-N 1 0 293.367 2.305 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346118750 368547748 /nfs/dbraw/zinc/54/77/48/368547748.db2.gz HEHFMAGCYSBHDX-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000348547312 369082745 /nfs/dbraw/zinc/08/27/45/369082745.db2.gz OLMPFFDIHXPOPE-UONOGXRCSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330736577 203170809 /nfs/dbraw/zinc/17/08/09/203170809.db2.gz MFKNDXUPUSMOKS-OAHLLOKOSA-N 1 0 278.352 2.494 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCC1 ZINC000349216421 369269451 /nfs/dbraw/zinc/26/94/51/369269451.db2.gz OCSUWFGEUYBZBT-UHFFFAOYSA-N 1 0 255.705 2.366 20 5 CEBDRO C[NH+](C)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330776973 203222203 /nfs/dbraw/zinc/22/22/03/203222203.db2.gz UAKNNCWNRJVJLJ-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234697 369322684 /nfs/dbraw/zinc/32/26/84/369322684.db2.gz DXHKIZYWWPLNFM-ZYHUDNBSSA-N 1 0 284.381 2.278 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000189123174 369462287 /nfs/dbraw/zinc/46/22/87/369462287.db2.gz CCCRTUYCXVHVOS-UWVGGRQHSA-N 1 0 268.313 2.116 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000330889538 203357034 /nfs/dbraw/zinc/35/70/34/203357034.db2.gz BKAXGOTZCRRUOW-QWRGUYRKSA-N 1 0 277.324 2.406 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190331750 369613847 /nfs/dbraw/zinc/61/38/47/369613847.db2.gz GMAMQPYOQUGNKN-JTQLQIEISA-N 1 0 284.385 2.219 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000190328246 369613967 /nfs/dbraw/zinc/61/39/67/369613967.db2.gz NLBNOGZPKRYTRA-VIFPVBQESA-N 1 0 270.358 2.338 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352406493 369715261 /nfs/dbraw/zinc/71/52/61/369715261.db2.gz QBVMYSDADXCOQL-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287537 369697740 /nfs/dbraw/zinc/69/77/40/369697740.db2.gz IUVUZCPFUMBWMN-ONXXMXGDSA-N 1 0 294.351 2.207 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352525409 369772176 /nfs/dbraw/zinc/77/21/76/369772176.db2.gz GIMGGHLMJGQTKV-OAHLLOKOSA-N 1 0 275.352 2.170 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352895986 369939033 /nfs/dbraw/zinc/93/90/33/369939033.db2.gz WTNJCUWTGZDVPE-ZDUSSCGKSA-N 1 0 288.294 2.370 20 5 CEBDRO C[N@@H+]1CC[C@H](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000352915720 369947443 /nfs/dbraw/zinc/94/74/43/369947443.db2.gz PHTBHZACMFWAEJ-LBPRGKRZSA-N 1 0 286.335 2.410 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000217371012 370195624 /nfs/dbraw/zinc/19/56/24/370195624.db2.gz AYGJAODVMGUAOS-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000354070141 370203556 /nfs/dbraw/zinc/20/35/56/370203556.db2.gz BFOOBGCWZAFTHF-NSHDSACASA-N 1 0 278.356 2.156 20 5 CEBDRO C[C@H]([NH2+]CCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224009090 370274535 /nfs/dbraw/zinc/27/45/35/370274535.db2.gz BBWJUPULFJGRQC-NSHDSACASA-N 1 0 252.314 2.408 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000354641620 370447902 /nfs/dbraw/zinc/44/79/02/370447902.db2.gz YDWCPFFHXUHCPO-GFCCVEGCSA-N 1 0 278.356 2.088 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000230377423 370457546 /nfs/dbraw/zinc/45/75/46/370457546.db2.gz RIAKYEWZSSPVET-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688510 370464662 /nfs/dbraw/zinc/46/46/62/370464662.db2.gz PHEHQGKSCQISJE-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1c(CNC(=O)CCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000231857081 370496492 /nfs/dbraw/zinc/49/64/92/370496492.db2.gz AXTDOEDOLFUAOT-UHFFFAOYSA-N 1 0 279.340 2.037 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321135 371013362 /nfs/dbraw/zinc/01/33/62/371013362.db2.gz QQPAKLOURNRPBF-JQWIXIFHSA-N 1 0 284.381 2.359 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCO2)n1 ZINC000331645038 204040783 /nfs/dbraw/zinc/04/07/83/204040783.db2.gz QAONDLKXNZTAEY-YNEHKIRRSA-N 1 0 294.355 2.044 20 5 CEBDRO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000331753850 204126101 /nfs/dbraw/zinc/12/61/01/204126101.db2.gz GWWJQFOTDAXKAZ-UHFFFAOYSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000359079487 371329689 /nfs/dbraw/zinc/32/96/89/371329689.db2.gz BHALHWGSMNMZOW-CYBMUJFWSA-N 1 0 290.367 2.280 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000359153836 371356121 /nfs/dbraw/zinc/35/61/21/371356121.db2.gz MANNXRRUJOILJC-CHWSQXEVSA-N 1 0 268.288 2.127 20 5 CEBDRO CCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000573111715 299423819 /nfs/dbraw/zinc/42/38/19/299423819.db2.gz ZAAIUFXMHAJHQD-LBPRGKRZSA-N 1 0 294.351 2.114 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252915068 371487888 /nfs/dbraw/zinc/48/78/88/371487888.db2.gz AIIIOPPECMAOTP-HUUCEWRRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252137511 371433007 /nfs/dbraw/zinc/43/30/07/371433007.db2.gz LSBYOOXXPXCPGG-BXUZGUMPSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252544388 371454126 /nfs/dbraw/zinc/45/41/26/371454126.db2.gz IEEVRBFIAPPNEM-QWHCGFSZSA-N 1 0 291.351 2.178 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255427750 371588041 /nfs/dbraw/zinc/58/80/41/371588041.db2.gz UOXCQWWRGVAURI-SMYYYNMVSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261591533 371666613 /nfs/dbraw/zinc/66/66/13/371666613.db2.gz LZTLBBKZBHVNRY-ZDUSSCGKSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261791382 371734403 /nfs/dbraw/zinc/73/44/03/371734403.db2.gz OMXDWBZOZAYNRT-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622397 371682151 /nfs/dbraw/zinc/68/21/51/371682151.db2.gz UUXZFLMXAIOQSM-SUNKGSAMSA-N 1 0 263.341 2.243 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361471278 371864664 /nfs/dbraw/zinc/86/46/64/371864664.db2.gz YTJJPNLUJUOTGW-JTQLQIEISA-N 1 0 266.345 2.339 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264005972 371954866 /nfs/dbraw/zinc/95/48/66/371954866.db2.gz JEAWAGMHZVBWHG-ZDUSSCGKSA-N 1 0 286.335 2.283 20 5 CEBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344222188 217105126 /nfs/dbraw/zinc/10/51/26/217105126.db2.gz SLTBDTHIKFRFSK-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362365565 372333193 /nfs/dbraw/zinc/33/31/93/372333193.db2.gz OTDRFHDOCKKRSV-CMPLNLGQSA-N 1 0 277.324 2.039 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344395886 217181072 /nfs/dbraw/zinc/18/10/72/217181072.db2.gz WMTCOPYWYVQRLW-CQSZACIVSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729993 372550270 /nfs/dbraw/zinc/55/02/70/372550270.db2.gz XMMMYLUMMSJDNP-SMDDNHRTSA-N 1 0 264.325 2.330 20 5 CEBDRO CC(C)(C)C1=CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000270348640 372749537 /nfs/dbraw/zinc/74/95/37/372749537.db2.gz HCOARQZTOAVLQB-UHFFFAOYSA-N 1 0 278.356 2.470 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353453934 220091675 /nfs/dbraw/zinc/09/16/75/220091675.db2.gz HORNDKYINIZDEB-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270949239 373029783 /nfs/dbraw/zinc/02/97/83/373029783.db2.gz SOMTVJQHFHTTLL-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CO ZINC000271174975 373161618 /nfs/dbraw/zinc/16/16/18/373161618.db2.gz UUBDGLSYGJTSAW-QWRGUYRKSA-N 1 0 284.381 2.436 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cccn1 ZINC000344876479 217342672 /nfs/dbraw/zinc/34/26/72/217342672.db2.gz UIIHHIHPCLECLB-RAXLEYEMSA-N 1 0 286.335 2.484 20 5 CEBDRO COc1cccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000344954511 217366802 /nfs/dbraw/zinc/36/68/02/217366802.db2.gz NLWLCCJAHMUKAR-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370234625 373612404 /nfs/dbraw/zinc/61/24/04/373612404.db2.gz ZSESISSJBCAJTL-GXTWGEPZSA-N 1 0 292.335 2.084 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCCC2)cs1 ZINC000289546522 197397923 /nfs/dbraw/zinc/39/79/23/197397923.db2.gz NZJGLKRWLRPJFQ-NSHDSACASA-N 1 0 270.354 2.297 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000299928728 220239403 /nfs/dbraw/zinc/23/94/03/220239403.db2.gz JYNNIUWYJBIXLV-BDAKNGLRSA-N 1 0 268.342 2.090 20 5 CEBDRO O=C(c1csc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000372024851 374025535 /nfs/dbraw/zinc/02/55/35/374025535.db2.gz DCCLWKGAGXPBIP-UHFFFAOYSA-N 1 0 295.364 2.013 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+]1CCCC1 ZINC000277077104 374396606 /nfs/dbraw/zinc/39/66/06/374396606.db2.gz JMEZEWSEHBBFBJ-SNVBAGLBSA-N 1 0 296.346 2.460 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278362237 374793174 /nfs/dbraw/zinc/79/31/74/374793174.db2.gz KHEUGYJNRUIJNY-SNVBAGLBSA-N 1 0 278.356 2.315 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000279973314 375049943 /nfs/dbraw/zinc/04/99/43/375049943.db2.gz ZBKQZAGFKXBACC-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238884 375285184 /nfs/dbraw/zinc/28/51/84/375285184.db2.gz DFYNFJXZPLFYLH-KOLCDFICSA-N 1 0 267.304 2.046 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000408227079 375434385 /nfs/dbraw/zinc/43/43/85/375434385.db2.gz QXPXTRTXXXYUAL-WCBMZHEXSA-N 1 0 297.380 2.177 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000408463383 375488728 /nfs/dbraw/zinc/48/87/28/375488728.db2.gz BPRKZWYDHWNEKJ-GXFFZTMASA-N 1 0 294.330 2.049 20 5 CEBDRO CCOC(=O)[C@@H](CC)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282508161 375502388 /nfs/dbraw/zinc/50/23/88/375502388.db2.gz RREVAMYYWRGKQB-CQSZACIVSA-N 1 0 294.351 2.411 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096144 375808418 /nfs/dbraw/zinc/80/84/18/375808418.db2.gz MQAKBLVHYLHMDN-PWSUYJOCSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283979207 375790651 /nfs/dbraw/zinc/79/06/51/375790651.db2.gz GWJVRKNCAHPYFI-NSHDSACASA-N 1 0 294.399 2.415 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286288568 375900646 /nfs/dbraw/zinc/90/06/46/375900646.db2.gz XPMHKOHDVYOJGH-UHFFFAOYSA-N 1 0 278.356 2.462 20 5 CEBDRO Cc1ccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414650610 375900842 /nfs/dbraw/zinc/90/08/42/375900842.db2.gz BBFNOESGOSHCRY-CYBMUJFWSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414661339 375906238 /nfs/dbraw/zinc/90/62/38/375906238.db2.gz PRDFNHRGSPVIJY-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414664703 375907879 /nfs/dbraw/zinc/90/78/79/375907879.db2.gz UHPFOAIVDAKQDF-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000286377864 375931961 /nfs/dbraw/zinc/93/19/61/375931961.db2.gz YZAKNIVVQHUBAG-IUODEOHRSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286616697 376013458 /nfs/dbraw/zinc/01/34/58/376013458.db2.gz RUIZTSQXJGPCIQ-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000287226239 376179737 /nfs/dbraw/zinc/17/97/37/376179737.db2.gz FSGGNEJBSIOVGK-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263732713 190075339 /nfs/dbraw/zinc/07/53/39/190075339.db2.gz QGDVSAUTYWXTEE-NSHDSACASA-N 1 0 250.298 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cocn3)c2c1 ZINC000558125640 376592899 /nfs/dbraw/zinc/59/28/99/376592899.db2.gz HREAEFCKHCLQBG-UHFFFAOYSA-N 1 0 286.291 2.396 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000420212969 376619112 /nfs/dbraw/zinc/61/91/12/376619112.db2.gz UQOBQCBDQFFKFQ-LBPRGKRZSA-N 1 0 278.356 2.408 20 5 CEBDRO Cc1cc(N2CC[NH2+]C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420217002 376623129 /nfs/dbraw/zinc/62/31/29/376623129.db2.gz HFNXWPXBNYXEGF-LLVKDONJSA-N 1 0 286.335 2.250 20 5 CEBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000313681042 376749395 /nfs/dbraw/zinc/74/93/95/376749395.db2.gz PCVGFFLJEZVPKY-UHFFFAOYSA-N 1 0 281.331 2.308 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000560618721 376770956 /nfs/dbraw/zinc/77/09/56/376770956.db2.gz GOBSXSBKHALMMV-LBPRGKRZSA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000330420095 377124968 /nfs/dbraw/zinc/12/49/68/377124968.db2.gz QZEJUWBGGGUNFH-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H](O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264764648 190133732 /nfs/dbraw/zinc/13/37/32/190133732.db2.gz ZHCKPWLDPIARJC-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275906 377200123 /nfs/dbraw/zinc/20/01/23/377200123.db2.gz MHOJXZNNRIHFFQ-MFKMUULPSA-N 1 0 293.367 2.381 20 5 CEBDRO [NH3+]C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276912 377200427 /nfs/dbraw/zinc/20/04/27/377200427.db2.gz NMFBAZABIWPMPL-HUUCEWRRSA-N 1 0 275.352 2.299 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000563735764 377287935 /nfs/dbraw/zinc/28/79/35/377287935.db2.gz WAHZIYPTMYFQLR-GWCFXTLKSA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973447 377518845 /nfs/dbraw/zinc/51/88/45/377518845.db2.gz BALDTNXRMKXBMR-MRXNPFEDSA-N 1 0 289.379 2.479 20 5 CEBDRO Cc1c(C(=O)NCCC[NH2+]C(C)C)cccc1[N+](=O)[O-] ZINC000564941289 377512759 /nfs/dbraw/zinc/51/27/59/377512759.db2.gz MENHLAOEJPISFJ-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265480165 190185571 /nfs/dbraw/zinc/18/55/71/190185571.db2.gz HBRYRPWZIRVDAL-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000220547665 249342555 /nfs/dbraw/zinc/34/25/55/249342555.db2.gz LLQRPZLFOCTBFF-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293518676 377604244 /nfs/dbraw/zinc/60/42/44/377604244.db2.gz VVWUTTBQBDOPBX-WDEREUQCSA-N 1 0 277.324 2.264 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000265975293 190220036 /nfs/dbraw/zinc/22/00/36/190220036.db2.gz LSALSJYFABWTFJ-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000265993004 190221116 /nfs/dbraw/zinc/22/11/16/190221116.db2.gz OATZBHYFEGZQHG-JTQLQIEISA-N 1 0 282.321 2.381 20 5 CEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000294888663 378026777 /nfs/dbraw/zinc/02/67/77/378026777.db2.gz FXGNAIBPRNSRHN-LBPRGKRZSA-N 1 0 293.371 2.307 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000295325000 378106991 /nfs/dbraw/zinc/10/69/91/378106991.db2.gz WTHGALCBIMLABD-UHFFFAOYSA-N 1 0 266.341 2.088 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450332609 378359853 /nfs/dbraw/zinc/35/98/53/378359853.db2.gz VCDVSQNZFBUBOU-SNVBAGLBSA-N 1 0 289.339 2.002 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450367270 378378607 /nfs/dbraw/zinc/37/86/07/378378607.db2.gz VXTBVNHRMXYHBB-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000296199038 378451500 /nfs/dbraw/zinc/45/15/00/378451500.db2.gz BZOMSWRJEIPHMX-NSHDSACASA-N 1 0 290.367 2.459 20 5 CEBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000450612662 378499478 /nfs/dbraw/zinc/49/94/78/378499478.db2.gz KJZKCVYSASBAIK-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395928 378885381 /nfs/dbraw/zinc/88/53/81/378885381.db2.gz IGJOFYZKCISHBK-ZFWWWQNUSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H]1O ZINC000453622981 378923928 /nfs/dbraw/zinc/92/39/28/378923928.db2.gz BFLHCKQCGJVPCI-LNSITVRQSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000347024719 218096532 /nfs/dbraw/zinc/09/65/32/218096532.db2.gz RFRGDEKYBAGQDJ-BXLSQVKPSA-N 1 0 275.352 2.290 20 5 CEBDRO C[NH+](C)CCSc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347408319 218226063 /nfs/dbraw/zinc/22/60/63/218226063.db2.gz MVUGPWHUBHPJDX-UHFFFAOYSA-N 1 0 278.337 2.192 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266504234 190262121 /nfs/dbraw/zinc/26/21/21/190262121.db2.gz BJUJMSWNBVHPHQ-LLVKDONJSA-N 1 0 280.324 2.324 20 5 CEBDRO CC[N@H+](CCNc1nccc(C)c1[N+](=O)[O-])C(C)C ZINC000301306507 379253589 /nfs/dbraw/zinc/25/35/89/379253589.db2.gz VABCDCNHLNAZNU-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1ccnc(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301310210 379255603 /nfs/dbraw/zinc/25/56/03/379255603.db2.gz ZBLZULDDINKRRK-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456338771 379395940 /nfs/dbraw/zinc/39/59/40/379395940.db2.gz COPBDPQVNPJLHQ-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO CCC1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266619237 190271781 /nfs/dbraw/zinc/27/17/81/190271781.db2.gz ZCAKATJCGALHCJ-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000456361836 379405528 /nfs/dbraw/zinc/40/55/28/379405528.db2.gz VZBKWJIVQCPSFO-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](C[S@@](C)=O)[N@H+](C)[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520428322 379467781 /nfs/dbraw/zinc/46/77/81/379467781.db2.gz QPSNBPVBEWHYGX-LITPITGPSA-N 1 0 296.392 2.281 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCO)C1CC1 ZINC000304247855 379536290 /nfs/dbraw/zinc/53/62/90/379536290.db2.gz OXAHEBHKXVZKSL-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000304071212 379519767 /nfs/dbraw/zinc/51/97/67/379519767.db2.gz VLIDRMHGIXMSBX-CQSZACIVSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267771140 190353770 /nfs/dbraw/zinc/35/37/70/190353770.db2.gz VKXXSAQQZMHEGO-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481195 380253858 /nfs/dbraw/zinc/25/38/58/380253858.db2.gz WOVUVLPZFHWXDE-OLZOCXBDSA-N 1 0 294.351 2.441 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268433829 190401451 /nfs/dbraw/zinc/40/14/51/190401451.db2.gz BSOMDSGSVANKEF-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO CC(C)[NH+](CCCNc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000348178401 218488035 /nfs/dbraw/zinc/48/80/35/218488035.db2.gz MHMSTSUTTOCTEA-UHFFFAOYSA-N 1 0 283.376 2.249 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000279236741 194347090 /nfs/dbraw/zinc/34/70/90/194347090.db2.gz JQFSLBYPRGOGGX-FZMZJTMJSA-N 1 0 294.351 2.244 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ccncc1[N+](=O)[O-] ZINC000340874781 284895891 /nfs/dbraw/zinc/89/58/91/284895891.db2.gz QYQIKWVFKPBKOR-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000092926589 184635388 /nfs/dbraw/zinc/63/53/88/184635388.db2.gz KJRNFPKGENHISJ-KCJUWKMLSA-N 1 0 274.280 2.110 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266279045 285095741 /nfs/dbraw/zinc/09/57/41/285095741.db2.gz SXCOBXCLRIKLTA-LBPRGKRZSA-N 1 0 277.299 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCOC1)CC2 ZINC000408105001 285142690 /nfs/dbraw/zinc/14/26/90/285142690.db2.gz GSKIGUSEWNPMQK-GFCCVEGCSA-N 1 0 276.336 2.380 20 5 CEBDRO Cc1cc(N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000289216521 197266212 /nfs/dbraw/zinc/26/62/12/197266212.db2.gz WNNVQTPPCAJGAL-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1=CCCOC1 ZINC000288572965 197116110 /nfs/dbraw/zinc/11/61/10/197116110.db2.gz ZVNBDCHNQDCIBR-UHFFFAOYSA-N 1 0 262.309 2.340 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339716 184783794 /nfs/dbraw/zinc/78/37/94/184783794.db2.gz UGYOVFJWIDIXLE-KWQFWETISA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094801751 184868293 /nfs/dbraw/zinc/86/82/93/184868293.db2.gz XGZPNVGJPJUIGB-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO C[C@@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414877556 533580378 /nfs/dbraw/zinc/58/03/78/533580378.db2.gz GEFQMDIIXMIMPZ-QMMMGPOBSA-N 1 0 257.721 2.075 20 5 CEBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412117266 533588974 /nfs/dbraw/zinc/58/89/74/533588974.db2.gz YZOLHKMQUZBYJR-OAHLLOKOSA-N 1 0 292.335 2.370 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cs1 ZINC000189958673 130043952 /nfs/dbraw/zinc/04/39/52/130043952.db2.gz FQYAHBPBEPPGIB-GHMZBOCLSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191995295 130346428 /nfs/dbraw/zinc/34/64/28/130346428.db2.gz YTFBXBILUZNPDL-DTWKUNHWSA-N 1 0 299.758 2.190 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000227069861 130834893 /nfs/dbraw/zinc/83/48/93/130834893.db2.gz FOSKLOPUSMGQPL-MGPQQGTHSA-N 1 0 276.336 2.498 20 5 CEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261608403 131156236 /nfs/dbraw/zinc/15/62/36/131156236.db2.gz DLCVMLAMWPCCRB-JSGCOSHPSA-N 1 0 291.351 2.119 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262570675 131234492 /nfs/dbraw/zinc/23/44/92/131234492.db2.gz CSFLKARQIMISJI-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO O=[N+]([O-])c1cccc(SCC[N@@H+]2CCCOCC2)c1 ZINC000413004882 394459231 /nfs/dbraw/zinc/45/92/31/394459231.db2.gz LHBBOEHJCVNOMH-UHFFFAOYSA-N 1 0 282.365 2.409 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301716740 394464511 /nfs/dbraw/zinc/46/45/11/394464511.db2.gz NLHBHCNYJAJFMT-GXTWGEPZSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000226530052 394471709 /nfs/dbraw/zinc/47/17/09/394471709.db2.gz ZEBHBVFKNSJIGW-STQMWFEESA-N 1 0 276.340 2.337 20 5 CEBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413101343 394482915 /nfs/dbraw/zinc/48/29/15/394482915.db2.gz GUFZIOMKMCDWLI-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO CON1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000421204706 394493503 /nfs/dbraw/zinc/49/35/03/394493503.db2.gz FZANMUABULOZDI-LLVKDONJSA-N 1 0 279.340 2.271 20 5 CEBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000413233317 394508716 /nfs/dbraw/zinc/50/87/16/394508716.db2.gz DATIEVPLXRBGEW-KWQFWETISA-N 1 0 268.292 2.024 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364416 394511331 /nfs/dbraw/zinc/51/13/31/394511331.db2.gz RZCGPXROGKXLFR-RISCZKNCSA-N 1 0 278.352 2.354 20 5 CEBDRO C[NH2+]C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251494743 394568051 /nfs/dbraw/zinc/56/80/51/394568051.db2.gz DOODWQUJKSLKBL-NEPJUHHUSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177127 394586793 /nfs/dbraw/zinc/58/67/93/394586793.db2.gz DBYHBFZTBCZSFK-GXFFZTMASA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000355793949 394533657 /nfs/dbraw/zinc/53/36/57/394533657.db2.gz YHRMVXBAGHHGPF-FRRDWIJNSA-N 1 0 293.367 2.123 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331263672 394629427 /nfs/dbraw/zinc/62/94/27/394629427.db2.gz FYQHLAVFRMHNOU-RISCZKNCSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356872310 394637814 /nfs/dbraw/zinc/63/78/14/394637814.db2.gz FHZFYXSJEFUIBZ-NWDGAFQWSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000268806279 394700071 /nfs/dbraw/zinc/70/00/71/394700071.db2.gz FWFFUFQIXLCWAZ-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000269079296 394711731 /nfs/dbraw/zinc/71/17/31/394711731.db2.gz DLGMQKTUCRVOQO-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H](CN)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938607 394812119 /nfs/dbraw/zinc/81/21/19/394812119.db2.gz YZOYHZFTDLFZRD-DYEKYZERSA-N 1 0 277.368 2.243 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414942917 394814290 /nfs/dbraw/zinc/81/42/90/394814290.db2.gz DTCYYZWANRUACU-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H](CN)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949169 394819043 /nfs/dbraw/zinc/81/90/43/394819043.db2.gz YZOYHZFTDLFZRD-OUCADQQQSA-N 1 0 277.368 2.243 20 5 CEBDRO Cc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415052399 394865980 /nfs/dbraw/zinc/86/59/80/394865980.db2.gz LAXWDHSRZYCEHK-CYBMUJFWSA-N 1 0 265.357 2.366 20 5 CEBDRO Cc1cnc(N[C@@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000362678643 394866121 /nfs/dbraw/zinc/86/61/21/394866121.db2.gz CBHTZWNMNFUQLV-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946528 394868786 /nfs/dbraw/zinc/86/87/86/394868786.db2.gz OXFJUNAABSTHRA-YPMHNXCESA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070582 394874689 /nfs/dbraw/zinc/87/46/89/394874689.db2.gz RDHOTSRTMYVMPX-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130198244 394883721 /nfs/dbraw/zinc/88/37/21/394883721.db2.gz FBEJQAQULCGGAJ-NWDGAFQWSA-N 1 0 291.351 2.080 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423459027 394925508 /nfs/dbraw/zinc/92/55/08/394925508.db2.gz HLNLLVGIJMRULD-DGCLKSJQSA-N 1 0 251.330 2.373 20 5 CEBDRO Cc1cccc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338788494 394928971 /nfs/dbraw/zinc/92/89/71/394928971.db2.gz UTZPUWPLGAXCDK-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788441 394929036 /nfs/dbraw/zinc/92/90/36/394929036.db2.gz TUFLFXVXKPABHK-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415506806 394938979 /nfs/dbraw/zinc/93/89/79/394938979.db2.gz SCVUOJOUCWDWSO-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[NH2+]C1 ZINC000423552413 394950662 /nfs/dbraw/zinc/95/06/62/394950662.db2.gz JXGHDELPFTXKFG-GXTWGEPZSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1cc(NC(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000153721652 395015505 /nfs/dbraw/zinc/01/55/05/395015505.db2.gz LPHMQESMBVJWAF-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000286204349 395016160 /nfs/dbraw/zinc/01/61/60/395016160.db2.gz BYWUUCIVJAZFOW-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415732446 394958388 /nfs/dbraw/zinc/95/83/88/394958388.db2.gz AEDBUEBCIQGYSE-LLVKDONJSA-N 1 0 292.339 2.031 20 5 CEBDRO CCN1C[C@@H](C)[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104638 394978226 /nfs/dbraw/zinc/97/82/26/394978226.db2.gz JDLXJKMTVSUNQQ-DOMZBBRYSA-N 1 0 277.368 2.067 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344437930 395054571 /nfs/dbraw/zinc/05/45/71/395054571.db2.gz RPTDGASUPRYWJK-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569384 395063433 /nfs/dbraw/zinc/06/34/33/395063433.db2.gz VCCCNVJMGWHNSL-GFCCVEGCSA-N 1 0 266.345 2.474 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132213 395093421 /nfs/dbraw/zinc/09/34/21/395093421.db2.gz ANGCNMZMWCDNCV-ZIAGYGMSSA-N 1 0 275.352 2.087 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000378448574 395155859 /nfs/dbraw/zinc/15/58/59/395155859.db2.gz COYNUQAIUFTODX-FZMZJTMJSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291832721 395171309 /nfs/dbraw/zinc/17/13/09/395171309.db2.gz LHONZZVSFPIUSF-SECBINFHSA-N 1 0 255.293 2.344 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618792 395236630 /nfs/dbraw/zinc/23/66/30/395236630.db2.gz JBTJOKSAFJFMPN-WCQYABFASA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000292039095 395183781 /nfs/dbraw/zinc/18/37/81/395183781.db2.gz HWINMWMTPDWGGU-BZYZDCJZSA-N 1 0 291.351 2.242 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000292062162 395184826 /nfs/dbraw/zinc/18/48/26/395184826.db2.gz WROPNQOUGYNKMH-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000439114354 395250211 /nfs/dbraw/zinc/25/02/11/395250211.db2.gz BQNFUDDXJQXWHB-GFCCVEGCSA-N 1 0 299.346 2.239 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000433143583 395202955 /nfs/dbraw/zinc/20/29/55/395202955.db2.gz IEFXWIIBIDRWJC-BXKDBHETSA-N 1 0 298.314 2.257 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000433143690 395203235 /nfs/dbraw/zinc/20/32/35/395203235.db2.gz IEFXWIIBIDRWJC-CABZTGNLSA-N 1 0 298.314 2.257 20 5 CEBDRO Cc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292863655 395208229 /nfs/dbraw/zinc/20/82/29/395208229.db2.gz SKFSZQDVGVDEAW-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000439663770 395278595 /nfs/dbraw/zinc/27/85/95/395278595.db2.gz TUNRBERGXYDCAP-IUCAKERBSA-N 1 0 295.368 2.199 20 5 CEBDRO C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420330377 395331124 /nfs/dbraw/zinc/33/11/24/395331124.db2.gz IAEGOSOXEZBART-OCCSQVGLSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000420354401 395343375 /nfs/dbraw/zinc/34/33/75/395343375.db2.gz CUNUGZPRDSLDLF-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000195054982 395457941 /nfs/dbraw/zinc/45/79/41/395457941.db2.gz YSVYSNJOUJBEHD-UHFFFAOYSA-N 1 0 278.356 2.401 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451262255 395601032 /nfs/dbraw/zinc/60/10/32/395601032.db2.gz XCHUFIXYGRUEGN-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO CC(=O)NCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573365471 395606769 /nfs/dbraw/zinc/60/67/69/395606769.db2.gz YBIJWCQYNMLIHP-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451439379 395618480 /nfs/dbraw/zinc/61/84/80/395618480.db2.gz NXKHFYJQZXXECV-ZDUSSCGKSA-N 1 0 286.278 2.105 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H]1OCC ZINC000574025068 395624609 /nfs/dbraw/zinc/62/46/09/395624609.db2.gz YNPBGAORHCIBTG-JSGCOSHPSA-N 1 0 280.324 2.261 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267660791 286061612 /nfs/dbraw/zinc/06/16/12/286061612.db2.gz MPURUYYQGGUSKD-QWRGUYRKSA-N 1 0 250.298 2.377 20 5 CEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000360253790 155253754 /nfs/dbraw/zinc/25/37/54/155253754.db2.gz KKECNJRSTWBFBZ-AWEZNQCLSA-N 1 0 298.346 2.340 20 5 CEBDRO CC[NH+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000192774633 153219197 /nfs/dbraw/zinc/21/91/97/153219197.db2.gz SQLWOIGCCIZSDE-UHFFFAOYSA-N 1 0 268.313 2.324 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000219890455 153306467 /nfs/dbraw/zinc/30/64/67/153306467.db2.gz VHAMOKNNVDNWOO-CMPLNLGQSA-N 1 0 280.324 2.261 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829873 153351691 /nfs/dbraw/zinc/35/16/91/153351691.db2.gz KDOYXAHLIVMFCR-OLZOCXBDSA-N 1 0 264.325 2.498 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000261797868 153843129 /nfs/dbraw/zinc/84/31/29/153843129.db2.gz OXZTTYXCNZJQKX-SSDOTTSWSA-N 1 0 296.714 2.449 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000262064391 153907304 /nfs/dbraw/zinc/90/73/04/153907304.db2.gz RKSHYYPORUEHLV-JOVKLMRISA-N 1 0 275.352 2.290 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC(C)(C)C1 ZINC000361469848 155558816 /nfs/dbraw/zinc/55/88/16/155558816.db2.gz OOVSUPNBEIQQGO-LLVKDONJSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@H]1CC[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834116 156245334 /nfs/dbraw/zinc/24/53/34/156245334.db2.gz VWUKHQXLVBUNNS-GXTWGEPZSA-N 1 0 278.356 2.303 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174157675 165097536 /nfs/dbraw/zinc/09/75/36/165097536.db2.gz LVPXIZURDFKFHC-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261596960 165501409 /nfs/dbraw/zinc/50/14/09/165501409.db2.gz ZQSUOSLEMMBXGC-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127088 171012342 /nfs/dbraw/zinc/01/23/42/171012342.db2.gz KKFFQKPNLBAGSB-LBPRGKRZSA-N 1 0 263.341 2.341 20 5 CEBDRO COCCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020192970 171059067 /nfs/dbraw/zinc/05/90/67/171059067.db2.gz BEHCWIGKPJWPQZ-LBPRGKRZSA-N 1 0 282.340 2.299 20 5 CEBDRO CC(C)C(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368183 172159417 /nfs/dbraw/zinc/15/94/17/172159417.db2.gz FLBAJSBUERKJIA-UHFFFAOYSA-N 1 0 299.758 2.110 20 5 CEBDRO Cn1nccc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285289481 196242054 /nfs/dbraw/zinc/24/20/54/196242054.db2.gz KFQYVCMMSGLAJK-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO CC1CC[NH+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000040444316 174264015 /nfs/dbraw/zinc/26/40/15/174264015.db2.gz ICGJKXNMNIEUEP-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040596485 174348901 /nfs/dbraw/zinc/34/89/01/174348901.db2.gz QQUQEWPDYFWOMS-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@@H]1CCC[C@](CNc2c([N+](=O)[O-])ncn2C)([NH+](C)C)C1 ZINC000040669998 174368460 /nfs/dbraw/zinc/36/84/60/174368460.db2.gz QCBQOQNPAIODPX-RISCZKNCSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063196016 175685015 /nfs/dbraw/zinc/68/50/15/175685015.db2.gz AQWIUBBJGBRLIL-WCQYABFASA-N 1 0 293.367 2.305 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC1 ZINC000076747190 177083594 /nfs/dbraw/zinc/08/35/94/177083594.db2.gz XJNYBFXPBKTQOE-UHFFFAOYSA-N 1 0 250.298 2.445 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000566858592 299027409 /nfs/dbraw/zinc/02/74/09/299027409.db2.gz RUEHKVRERNTZKD-BXUZGUMPSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](C)CO ZINC000449165826 260267254 /nfs/dbraw/zinc/26/72/54/260267254.db2.gz XPEUETDROAKXDF-QJPTWQEYSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449186755 260285715 /nfs/dbraw/zinc/28/57/15/260285715.db2.gz JVNPTHJKVWWTLP-VXGBXAGGSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000449190459 260287559 /nfs/dbraw/zinc/28/75/59/260287559.db2.gz IVUKMMLTLCCQDJ-WZRBSPASSA-N 1 0 266.345 2.206 20 5 CEBDRO CCN(CC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218050 260298467 /nfs/dbraw/zinc/29/84/67/260298467.db2.gz FAOHKCMWIXGOAY-ZDUSSCGKSA-N 1 0 279.384 2.457 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777404 260845930 /nfs/dbraw/zinc/84/59/30/260845930.db2.gz QIXMGEJRCWRXPD-DGCLKSJQSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395875284 270348345 /nfs/dbraw/zinc/34/83/45/270348345.db2.gz MCJJIXYPMJKVKM-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H](O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000399253701 270368825 /nfs/dbraw/zinc/36/88/25/270368825.db2.gz NRCBFWIMNBPAST-ZWNOBZJWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[NH2+][C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420272927 270501024 /nfs/dbraw/zinc/50/10/24/270501024.db2.gz MTGDECHDFVOFDO-RYUDHWBXSA-N 1 0 263.341 2.258 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423187551 270865558 /nfs/dbraw/zinc/86/55/58/270865558.db2.gz KVZMYBCTCXYVNT-GJZGRUSLSA-N 1 0 289.379 2.258 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425553466 271168020 /nfs/dbraw/zinc/16/80/20/271168020.db2.gz UNTISXFMHZKXPI-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CC(F)F ZINC000428641604 271284791 /nfs/dbraw/zinc/28/47/91/271284791.db2.gz MNTJQOHHRPFSHK-JOAKQRRISA-N 1 0 286.278 2.214 20 5 CEBDRO C[C@@H](C[NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000441617417 271807958 /nfs/dbraw/zinc/80/79/58/271807958.db2.gz CVLJNWGAAZGDDB-QMMMGPOBSA-N 1 0 293.348 2.134 20 5 CEBDRO COc1cccc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000372189094 274147841 /nfs/dbraw/zinc/14/78/41/274147841.db2.gz VSUXYUPOXCXAEQ-AAEUAGOBSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413142958 274333504 /nfs/dbraw/zinc/33/35/04/274333504.db2.gz WAQBOJMZVGMJJN-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO CC[C@@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000128735692 276536489 /nfs/dbraw/zinc/53/64/89/276536489.db2.gz KKEWTEPLCYRWIJ-AWEZNQCLSA-N 1 0 277.324 2.374 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237142598 276666739 /nfs/dbraw/zinc/66/67/39/276666739.db2.gz FJEBORXLNQBESX-CHWSQXEVSA-N 1 0 291.351 2.014 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375041429 277145331 /nfs/dbraw/zinc/14/53/31/277145331.db2.gz QGLJWXQABUBUPI-ZBFHGGJFSA-N 1 0 289.379 2.163 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292459312 277160850 /nfs/dbraw/zinc/16/08/50/277160850.db2.gz ZWDQAWAXVSQMTM-CQSZACIVSA-N 1 0 297.305 2.405 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303300 277511955 /nfs/dbraw/zinc/51/19/55/277511955.db2.gz QMCCVIUGKUHZOS-CMPLNLGQSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306373 278275511 /nfs/dbraw/zinc/27/55/11/278275511.db2.gz IZMKUGBVANWGCM-OPQQBVKSSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293887208 278339603 /nfs/dbraw/zinc/33/96/03/278339603.db2.gz VSIXAJNQBISKKS-SNVBAGLBSA-N 1 0 280.372 2.168 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000295160298 278918906 /nfs/dbraw/zinc/91/89/06/278918906.db2.gz KNAGPMISNVTFKL-JTNHKYCSSA-N 1 0 264.325 2.293 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331022079 279026511 /nfs/dbraw/zinc/02/65/11/279026511.db2.gz YVULPMDAWYNFCQ-LBPRGKRZSA-N 1 0 266.345 2.302 20 5 CEBDRO CCN(CCC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000337291485 279179282 /nfs/dbraw/zinc/17/92/82/279179282.db2.gz FASPNLKDDPGJLT-UHFFFAOYSA-N 1 0 265.357 2.368 20 5 CEBDRO C[C@H](C[NH3+])NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414934460 279297451 /nfs/dbraw/zinc/29/74/51/279297451.db2.gz URCLPTSBTNVQAS-SNVBAGLBSA-N 1 0 275.308 2.292 20 5 CEBDRO Cc1cc(C(=O)NCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000147414465 280076525 /nfs/dbraw/zinc/07/65/25/280076525.db2.gz NETTXFVBAZHAMT-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO COCCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249406533 280395862 /nfs/dbraw/zinc/39/58/62/280395862.db2.gz UOQBUDOVDLPDPU-SWLSCSKDSA-N 1 0 294.351 2.393 20 5 CEBDRO Cc1cc(N2CC[C@](C)(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228557290 280578958 /nfs/dbraw/zinc/57/89/58/280578958.db2.gz RWXTZQZMFLRGJU-HNNXBMFYSA-N 1 0 287.319 2.413 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC(C)(C)C1 ZINC000396675407 280675623 /nfs/dbraw/zinc/67/56/23/280675623.db2.gz UIFSASNHZZEPPR-LLVKDONJSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976539 280941159 /nfs/dbraw/zinc/94/11/59/280941159.db2.gz LNDXWBNIQSWXLD-DGCLKSJQSA-N 1 0 291.351 2.223 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000423467565 281049756 /nfs/dbraw/zinc/04/97/56/281049756.db2.gz XTBGMILQCQWDPC-VIFPVBQESA-N 1 0 297.380 2.031 20 5 CEBDRO Cc1cnc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286325670 281610007 /nfs/dbraw/zinc/61/00/07/281610007.db2.gz HOAFFEAPOHTPAU-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255598049 289213503 /nfs/dbraw/zinc/21/35/03/289213503.db2.gz ZMXGCZLHAXPUHH-BRLPQQTGSA-N 1 0 289.379 2.492 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864286 289274855 /nfs/dbraw/zinc/27/48/55/289274855.db2.gz ZAZXGCLSIJHALQ-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCCO ZINC000471807486 290285634 /nfs/dbraw/zinc/28/56/34/290285634.db2.gz CEAHZWRHDUDYCH-VURMDHGXSA-N 1 0 264.325 2.312 20 5 CEBDRO Cc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000295596773 292891438 /nfs/dbraw/zinc/89/14/38/292891438.db2.gz CKXCGCIIBIVGSS-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408310340 297313872 /nfs/dbraw/zinc/31/38/72/297313872.db2.gz RKZNIFKJGNMHQN-GRYCIOLGSA-N 1 0 278.356 2.481 20 5 CEBDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159980687 297431687 /nfs/dbraw/zinc/43/16/87/297431687.db2.gz NTUTUWADELVUKT-LBPRGKRZSA-N 1 0 293.367 2.408 20 5 CEBDRO CC(C)(C)OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162543197 297452592 /nfs/dbraw/zinc/45/25/92/297452592.db2.gz WVGUHNOQHIYNJA-UHFFFAOYSA-N 1 0 296.371 2.071 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000320527783 297497804 /nfs/dbraw/zinc/49/78/04/297497804.db2.gz NLEMRLJCLFUFBZ-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000536377943 298196000 /nfs/dbraw/zinc/19/60/00/298196000.db2.gz JDYPAXLOZNIYSI-LLVKDONJSA-N 1 0 281.356 2.123 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538268375 298226095 /nfs/dbraw/zinc/22/60/95/298226095.db2.gz HAGXLYXSHGDCKQ-NSHDSACASA-N 1 0 293.367 2.326 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000541595287 298281053 /nfs/dbraw/zinc/28/10/53/298281053.db2.gz SFVCRNTZBLFKKV-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO Cn1cncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558128725 298582008 /nfs/dbraw/zinc/58/20/08/298582008.db2.gz LXARETZXQALPII-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269107882 302349719 /nfs/dbraw/zinc/34/97/19/302349719.db2.gz VIUARJOKVXUWGO-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294916842 302350551 /nfs/dbraw/zinc/35/05/51/302350551.db2.gz JNMNHOMWWXFGJE-LBPRGKRZSA-N 1 0 290.367 2.219 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000516193069 313085313 /nfs/dbraw/zinc/08/53/13/313085313.db2.gz FWLSCOMIIDAIQB-GFCCVEGCSA-N 1 0 289.335 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3(O)CCC3)c2c1 ZINC000566851427 313871915 /nfs/dbraw/zinc/87/19/15/313871915.db2.gz HPYHEFUFTANGFB-UHFFFAOYSA-N 1 0 289.335 2.123 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259229 313990050 /nfs/dbraw/zinc/99/00/50/313990050.db2.gz WRSJWSWFBWKROD-GXFFZTMASA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000569600749 314002745 /nfs/dbraw/zinc/00/27/45/314002745.db2.gz LAIFHBBLDWHOQW-GVXVVHGQSA-N 1 0 291.351 2.078 20 5 CEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293231 314082957 /nfs/dbraw/zinc/08/29/57/314082957.db2.gz LVVSGLUOHHOIPM-WDEREUQCSA-N 1 0 294.330 2.192 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000576111790 314243372 /nfs/dbraw/zinc/24/33/72/314243372.db2.gz LBPMTMCKCIESJR-SMDDNHRTSA-N 1 0 266.341 2.482 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699068 314507274 /nfs/dbraw/zinc/50/72/74/314507274.db2.gz IBVSITVJIMECPF-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077591 314545605 /nfs/dbraw/zinc/54/56/05/314545605.db2.gz HCXVNBZUVJRYDR-GXFFZTMASA-N 1 0 279.340 2.078 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579109397 314549691 /nfs/dbraw/zinc/54/96/91/314549691.db2.gz SPSIEXUOXWXRDM-JTQLQIEISA-N 1 0 278.356 2.136 20 5 CEBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000385570632 321860861 /nfs/dbraw/zinc/86/08/61/321860861.db2.gz ZSGDUJKYNYUWSC-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000580718372 322338815 /nfs/dbraw/zinc/33/88/15/322338815.db2.gz UYKIFYMWLWOXOL-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000584401133 329456350 /nfs/dbraw/zinc/45/63/50/329456350.db2.gz FJGXUSIDSKVZTN-BETUJISGSA-N 1 0 298.346 2.474 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCC2)n1 ZINC000097934229 534325199 /nfs/dbraw/zinc/32/51/99/534325199.db2.gz BKMWKAWAMIYOSQ-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000414666980 534341891 /nfs/dbraw/zinc/34/18/91/534341891.db2.gz XFOCNJKIXJLXQU-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1occc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000414434720 534568154 /nfs/dbraw/zinc/56/81/54/534568154.db2.gz DODOXKSETYNTNE-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188801412 525566444 /nfs/dbraw/zinc/56/64/44/525566444.db2.gz PRORUSMBWXALFY-RISCZKNCSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000363656676 527357181 /nfs/dbraw/zinc/35/71/81/527357181.db2.gz OJHZSYKBONVDDC-YWXMQNBFSA-N 1 0 294.326 2.327 20 5 CEBDRO CC[NH+](CC)CCN(CCOC)c1ccccc1[N+](=O)[O-] ZINC000177046513 528125333 /nfs/dbraw/zinc/12/53/33/528125333.db2.gz NZRQGVNGOGUIIS-UHFFFAOYSA-N 1 0 295.383 2.389 20 5 CEBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000248274486 535023015 /nfs/dbraw/zinc/02/30/15/535023015.db2.gz RJRPPOYIMZJQBA-HNNXBMFYSA-N 1 0 293.367 2.364 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192827 536009041 /nfs/dbraw/zinc/00/90/41/536009041.db2.gz OWFNAMVECJSSBW-AAEUAGOBSA-N 1 0 282.340 2.243 20 5 CEBDRO COc1cc(N2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301898333 536823796 /nfs/dbraw/zinc/82/37/96/536823796.db2.gz WRZNKBGLIDYIQL-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000727112652 574448032 /nfs/dbraw/zinc/44/80/32/574448032.db2.gz PUFSDIOAYAMGDH-NSHDSACASA-N 1 0 291.355 2.385 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048142 575147429 /nfs/dbraw/zinc/14/74/29/575147429.db2.gz WOJGZJRYJJAEBJ-TVQRCGJNSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047937 575147506 /nfs/dbraw/zinc/14/75/06/575147506.db2.gz UHUFRZDVGDFWCP-JOYOIKCWSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000084726687 623269163 /nfs/dbraw/zinc/26/91/63/623269163.db2.gz DWSUMANUWZNOOG-CHWSQXEVSA-N 1 0 291.351 2.178 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261734744 623373110 /nfs/dbraw/zinc/37/31/10/623373110.db2.gz LOVROAYAGLXQSC-BXUZGUMPSA-N 1 0 295.770 2.432 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050370385 623402355 /nfs/dbraw/zinc/40/23/55/623402355.db2.gz YFFLINBGNHXNCC-YPMHNXCESA-N 1 0 250.298 2.252 20 5 CEBDRO CCC[NH+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891480833 623736578 /nfs/dbraw/zinc/73/65/78/623736578.db2.gz WDVLTBVZIMKPDP-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO C[C@@H]1CSCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934297008 624395544 /nfs/dbraw/zinc/39/55/44/624395544.db2.gz WZOVZGZTZWVFGQ-SNVBAGLBSA-N 1 0 267.354 2.317 20 5 CEBDRO C[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000725778725 624776197 /nfs/dbraw/zinc/77/61/97/624776197.db2.gz ONKPSORFZOFSMK-NSHDSACASA-N 1 0 287.323 2.153 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000177926426 625915908 /nfs/dbraw/zinc/91/59/08/625915908.db2.gz YKODRGYERPBQQB-UHFFFAOYSA-N 1 0 280.324 2.069 20 5 CEBDRO Cc1c(CNC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000311750531 627695294 /nfs/dbraw/zinc/69/52/94/627695294.db2.gz COOQXHBQTHRWJQ-NSHDSACASA-N 1 0 265.357 2.191 20 5 CEBDRO C[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430084 634650971 /nfs/dbraw/zinc/65/09/71/634650971.db2.gz OEYZXAYOYYBSAR-YRGRVCCFSA-N 1 0 277.368 2.428 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000776582280 628497336 /nfs/dbraw/zinc/49/73/36/628497336.db2.gz OCRZQBRFHMRXLC-CQSZACIVSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931298000 628505974 /nfs/dbraw/zinc/50/59/74/628505974.db2.gz TYABXGVTVTZMDK-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000149693099 628526720 /nfs/dbraw/zinc/52/67/20/628526720.db2.gz OCFZPGOYPPMGQD-SWHYSGLUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000093633664 628688209 /nfs/dbraw/zinc/68/82/09/628688209.db2.gz IAQVMBVUERXROF-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO CCOC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775827 628876299 /nfs/dbraw/zinc/87/62/99/628876299.db2.gz YJRPWWFNUIEIGO-UHFFFAOYSA-N 1 0 284.287 2.119 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000895361953 630143146 /nfs/dbraw/zinc/14/31/46/630143146.db2.gz HZGNOJRVPRNJLG-UHFFFAOYSA-N 1 0 283.759 2.242 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCc2ccoc2)c1[N+](=O)[O-] ZINC000895375003 630147755 /nfs/dbraw/zinc/14/77/55/630147755.db2.gz YXZSWRVSSWZXLS-UHFFFAOYSA-N 1 0 292.291 2.234 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737759 630327642 /nfs/dbraw/zinc/32/76/42/630327642.db2.gz YHZVTOUWEPZJDJ-UWVGGRQHSA-N 1 0 295.339 2.117 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000895769065 630338080 /nfs/dbraw/zinc/33/80/80/630338080.db2.gz MOXBNNSEKPCQLN-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000896516610 630587270 /nfs/dbraw/zinc/58/72/70/630587270.db2.gz QMSKFMUIWDCLCQ-OAHLLOKOSA-N 1 0 291.351 2.260 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914444 630799966 /nfs/dbraw/zinc/79/99/66/630799966.db2.gz GSNVZSSJNCQSMU-YGRLFVJLSA-N 1 0 279.315 2.122 20 5 CEBDRO C[C@@]1(CN2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322170 635567720 /nfs/dbraw/zinc/56/77/20/635567720.db2.gz QOKISYIUDWXOPT-MRXNPFEDSA-N 1 0 289.379 2.343 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897466433 631532800 /nfs/dbraw/zinc/53/28/00/631532800.db2.gz UMRVAARCJSIYGP-NEPJUHHUSA-N 1 0 264.325 2.467 20 5 CEBDRO CC(C)[N@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000054111064 631675097 /nfs/dbraw/zinc/67/50/97/631675097.db2.gz CQPZEMZZXMVMFC-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CC(C)[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000054111062 631675330 /nfs/dbraw/zinc/67/53/30/631675330.db2.gz HQCIFXKJTXSCOI-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000905199587 635876356 /nfs/dbraw/zinc/87/63/56/635876356.db2.gz HMZZVELZMSORQU-UHFFFAOYSA-N 1 0 293.150 2.376 20 5 CEBDRO CC(C)(C)c1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899870980 633064230 /nfs/dbraw/zinc/06/42/30/633064230.db2.gz POZDOBLYYZNAJC-UHFFFAOYSA-N 1 0 250.342 2.393 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819192085 634099222 /nfs/dbraw/zinc/09/92/22/634099222.db2.gz WZXYFCZRGVMBJF-TZMCWYRMSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000819218397 634107091 /nfs/dbraw/zinc/10/70/91/634107091.db2.gz ONMAORSLEURJKD-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO CO[C@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819325136 634140799 /nfs/dbraw/zinc/14/07/99/634140799.db2.gz YCBVEAGXVCXZFL-HUUCEWRRSA-N 1 0 294.351 2.033 20 5 CEBDRO CCC(CC)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819328697 634142458 /nfs/dbraw/zinc/14/24/58/634142458.db2.gz IQHMKQKALXZFGT-CQSZACIVSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1ccoc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330010 634142463 /nfs/dbraw/zinc/14/24/63/634142463.db2.gz YKYDIQZAUWGTJX-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO COC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819332342 634143484 /nfs/dbraw/zinc/14/34/84/634143484.db2.gz BQAYEANLMZICFB-AWEZNQCLSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646427 634962664 /nfs/dbraw/zinc/96/26/64/634962664.db2.gz HAGXBZBJDKFWKN-DTWKUNHWSA-N 1 0 276.296 2.019 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903097544 634977464 /nfs/dbraw/zinc/97/74/64/634977464.db2.gz TWBBGBACEOGGBS-GWCFXTLKSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822726916 634982400 /nfs/dbraw/zinc/98/24/00/634982400.db2.gz VUWFYQFZKGUCLK-QWHCGFSZSA-N 1 0 299.415 2.059 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000903130746 634984462 /nfs/dbraw/zinc/98/44/62/634984462.db2.gz OJPLBXRSCATDDX-ZIAGYGMSSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC[NH2+][C@@H]2C)n1 ZINC000822808040 635000493 /nfs/dbraw/zinc/00/04/93/635000493.db2.gz OSHJUFAMKZIMQJ-SKDRFNHKSA-N 1 0 288.307 2.419 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000903210946 635017611 /nfs/dbraw/zinc/01/76/11/635017611.db2.gz BIZKURCZFPHDRC-HERUPUMHSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903223602 635023588 /nfs/dbraw/zinc/02/35/88/635023588.db2.gz HQVZCWZKKUYZMB-ISTVAULSSA-N 1 0 280.324 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000903393774 635090109 /nfs/dbraw/zinc/09/01/09/635090109.db2.gz STQYFPZVBHOWMX-GBIKHYSHSA-N 1 0 280.324 2.289 20 5 CEBDRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000823218253 635101463 /nfs/dbraw/zinc/10/14/63/635101463.db2.gz BOUOORJUCCYCHI-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000903529471 635162521 /nfs/dbraw/zinc/16/25/21/635162521.db2.gz FJPULIHSVSKUHX-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO C[N@@H+]1CC[C@@H](Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000904051948 635425955 /nfs/dbraw/zinc/42/59/55/635425955.db2.gz YYNYDKYSAKDTSB-QMMMGPOBSA-N 1 0 294.336 2.201 20 5 CEBDRO C[N@@H+]1CC[C@H](Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000904051947 635426193 /nfs/dbraw/zinc/42/61/93/635426193.db2.gz YYNYDKYSAKDTSB-MRVPVSSYSA-N 1 0 294.336 2.201 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1Cl ZINC000825239728 635597423 /nfs/dbraw/zinc/59/74/23/635597423.db2.gz DNLLDGYBNIKFGP-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000905287074 636209840 /nfs/dbraw/zinc/20/98/40/636209840.db2.gz WWFMSAOHBSYFIZ-UHFFFAOYSA-N 1 0 270.279 2.253 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NCC[N+](=O)[O-])cc2)C1 ZINC000905327426 636225350 /nfs/dbraw/zinc/22/53/50/636225350.db2.gz HGMIXRKRFJKUHV-CYBMUJFWSA-N 1 0 293.367 2.096 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905589024 636343678 /nfs/dbraw/zinc/34/36/78/636343678.db2.gz MYPWBCQVYZDMJC-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000905736620 636423960 /nfs/dbraw/zinc/42/39/60/636423960.db2.gz CNQVNTSDBFDOFI-NSHDSACASA-N 1 0 290.323 2.013 20 5 CEBDRO [NH3+][C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000906508332 636759767 /nfs/dbraw/zinc/75/97/67/636759767.db2.gz NFONMSOVRAWVMQ-XYPYZODXSA-N 1 0 287.319 2.434 20 5 CEBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000876527957 650305153 /nfs/dbraw/zinc/30/51/53/650305153.db2.gz IEDUGMMGSWDSOU-GFCCVEGCSA-N 1 0 299.330 2.182 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000876537603 650311128 /nfs/dbraw/zinc/31/11/28/650311128.db2.gz VTRDJFOOWSEFKX-OAHLLOKOSA-N 1 0 299.330 2.215 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876594114 650350993 /nfs/dbraw/zinc/35/09/93/650350993.db2.gz LAYMJSLOJOSXQS-GFCCVEGCSA-N 1 0 292.335 2.207 20 5 CEBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834832211 637965177 /nfs/dbraw/zinc/96/51/77/637965177.db2.gz MTWFHCYIIWZDRY-MNOVXSKESA-N 1 0 281.356 2.236 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834896832 637980206 /nfs/dbraw/zinc/98/02/06/637980206.db2.gz OHCZZNHGTSFSKR-HCKVZZMMSA-N 1 0 293.367 2.379 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1[N+](=O)[O-] ZINC000924841078 638326580 /nfs/dbraw/zinc/32/65/80/638326580.db2.gz ICFYUJLOWTZZRU-HBYGRHMLSA-N 1 0 294.351 2.364 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccccc3)C2)c1 ZINC000876889665 650475267 /nfs/dbraw/zinc/47/52/67/650475267.db2.gz QBEMNXKXYMAMKF-UHFFFAOYSA-N 1 0 286.335 2.327 20 5 CEBDRO CN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226051559 639518904 /nfs/dbraw/zinc/51/89/04/639518904.db2.gz INPVYJWGRVOZAZ-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841058019 639635649 /nfs/dbraw/zinc/63/56/49/639635649.db2.gz DWDAIRJIZHZISK-SKDRFNHKSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076726 639646912 /nfs/dbraw/zinc/64/69/12/639646912.db2.gz NCFUFQNGFBSQHJ-SFYZADRCSA-N 1 0 257.721 2.074 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1Cl ZINC000841079142 639648431 /nfs/dbraw/zinc/64/84/31/639648431.db2.gz LDTBCFBQDOHTGE-UWVGGRQHSA-N 1 0 287.722 2.038 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103914 639674772 /nfs/dbraw/zinc/67/47/72/639674772.db2.gz SIRBNWPVTLZCOO-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210378 639746465 /nfs/dbraw/zinc/74/64/65/639746465.db2.gz BJENWCKURXPKER-MFKMUULPSA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1c(CNC(=[NH2+])NCC(C)C)cccc1[N+](=O)[O-] ZINC000231865020 639882416 /nfs/dbraw/zinc/88/24/16/639882416.db2.gz FIJWJAQKXICDAX-UHFFFAOYSA-N 1 0 264.329 2.173 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOc2cccnc2)cc1 ZINC000877038700 650542271 /nfs/dbraw/zinc/54/22/71/650542271.db2.gz WLTKSWDFDFPDNW-UHFFFAOYSA-N 1 0 287.319 2.201 20 5 CEBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC[N+](=O)[O-])C1 ZINC000929724273 640034555 /nfs/dbraw/zinc/03/45/55/640034555.db2.gz YWVCQKQGNBTWCG-ZWNOBZJWSA-N 1 0 252.289 2.485 20 5 CEBDRO CS[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877069450 650558483 /nfs/dbraw/zinc/55/84/83/650558483.db2.gz AUCXDNRWYSQFPE-ZUYNKMSQSA-N 1 0 296.396 2.369 20 5 CEBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084190 640274617 /nfs/dbraw/zinc/27/46/17/640274617.db2.gz VUECUXMJOCKUPO-KBPBESRZSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843100519 640280784 /nfs/dbraw/zinc/28/07/84/640280784.db2.gz WAJPTOSICMMXIG-LNSITVRQSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843147057 640306225 /nfs/dbraw/zinc/30/62/25/640306225.db2.gz YXDCOGJDQLBHKS-GFCCVEGCSA-N 1 0 292.295 2.213 20 5 CEBDRO Cc1c(-c2noc(CC(C)(C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843237720 640364131 /nfs/dbraw/zinc/36/41/31/640364131.db2.gz DYGQDAXJTFEBIS-UHFFFAOYSA-N 1 0 276.296 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382406 640412201 /nfs/dbraw/zinc/41/22/01/640412201.db2.gz OSXSZOVMEHTQOD-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000917527785 640895241 /nfs/dbraw/zinc/89/52/41/640895241.db2.gz CXXMJAUOVXILPL-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000920274253 641132312 /nfs/dbraw/zinc/13/23/12/641132312.db2.gz LJLDCYVZQLURSP-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CCF)cc1Cl ZINC000846098985 641180219 /nfs/dbraw/zinc/18/02/19/641180219.db2.gz WEJZZAZEFSATEL-VIFPVBQESA-N 1 0 276.695 2.058 20 5 CEBDRO CC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000846954137 641497780 /nfs/dbraw/zinc/49/77/80/641497780.db2.gz RSZWSMFENNFYGJ-UHFFFAOYSA-N 1 0 292.335 2.275 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071300331 641739666 /nfs/dbraw/zinc/73/96/66/641739666.db2.gz XWIPBOCIXXKABW-YGRLFVJLSA-N 1 0 264.325 2.325 20 5 CEBDRO CCOCC[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107668661 642034576 /nfs/dbraw/zinc/03/45/76/642034576.db2.gz LXZLPEVYBIYIBF-UHFFFAOYSA-N 1 0 292.339 2.260 20 5 CEBDRO [NH3+]C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848715554 642109473 /nfs/dbraw/zinc/10/94/73/642109473.db2.gz DVICGMVVNZPUDX-VIFPVBQESA-N 1 0 297.664 2.227 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000848761358 642132768 /nfs/dbraw/zinc/13/27/68/642132768.db2.gz RXPZCZDVJSVRTI-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877473567 650737812 /nfs/dbraw/zinc/73/78/12/650737812.db2.gz JVOXEDOKFHSPQY-STQMWFEESA-N 1 0 292.335 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877487679 650746740 /nfs/dbraw/zinc/74/67/40/650746740.db2.gz ZEEMJSWLYHJJAL-CQSZACIVSA-N 1 0 278.352 2.414 20 5 CEBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877542191 650778116 /nfs/dbraw/zinc/77/81/16/650778116.db2.gz PLNGDHKBFVKARN-GFCCVEGCSA-N 1 0 291.307 2.081 20 5 CEBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000921863414 642763308 /nfs/dbraw/zinc/76/33/08/642763308.db2.gz VLFHCYUYXLDILS-ZYHUDNBSSA-N 1 0 284.385 2.055 20 5 CEBDRO CC[C@H](C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OC ZINC000877559366 650788178 /nfs/dbraw/zinc/78/81/78/650788178.db2.gz WAARZZGPSDMOFS-BBCYWQGDSA-N 1 0 296.371 2.146 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1OCCCO1 ZINC000922280340 642997621 /nfs/dbraw/zinc/99/76/21/642997621.db2.gz JDWNDSLCMLOHDV-UHFFFAOYSA-N 1 0 280.324 2.064 20 5 CEBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)F ZINC000877604354 650810770 /nfs/dbraw/zinc/81/07/70/650810770.db2.gz LJSSNEWYFWRSGF-XNWIYYODSA-N 1 0 288.298 2.376 20 5 CEBDRO CN(C)c1cc[nH+]c(CNCc2csc([N+](=O)[O-])c2)c1 ZINC000922479707 643089275 /nfs/dbraw/zinc/08/92/75/643089275.db2.gz YUIYPAWTQYHXFN-UHFFFAOYSA-N 1 0 292.364 2.407 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC4(CCC4)C3)C2)c1 ZINC000877615766 650815421 /nfs/dbraw/zinc/81/54/21/650815421.db2.gz VYWUIQRIVJFTFV-UHFFFAOYSA-N 1 0 276.340 2.417 20 5 CEBDRO CCN1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1=O ZINC000922639282 643171561 /nfs/dbraw/zinc/17/15/61/643171561.db2.gz MDHYCKMAWXOYLV-CYBMUJFWSA-N 1 0 291.351 2.004 20 5 CEBDRO CC(C)(C)OCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877629855 650822487 /nfs/dbraw/zinc/82/24/87/650822487.db2.gz WKOILQGKTOFYCW-UHFFFAOYSA-N 1 0 296.371 2.290 20 5 CEBDRO C[N@H+](CCOC(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000852017532 643267305 /nfs/dbraw/zinc/26/73/05/643267305.db2.gz AUANYNTUZHDQSP-UHFFFAOYSA-N 1 0 274.267 2.308 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000227713188 643362012 /nfs/dbraw/zinc/36/20/12/643362012.db2.gz HLUFCZUTAVWRGY-JTQLQIEISA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923503421 643739234 /nfs/dbraw/zinc/73/92/34/643739234.db2.gz IBMKVEPBGSLQEB-NWDGAFQWSA-N 1 0 263.341 2.012 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)O ZINC000824921412 643789387 /nfs/dbraw/zinc/78/93/87/643789387.db2.gz LKMMJMWCWKJDAR-GZMMTYOYSA-N 1 0 272.732 2.497 20 5 CEBDRO COc1cc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000853798333 643903880 /nfs/dbraw/zinc/90/38/80/643903880.db2.gz FADCHVASLXQUFW-JTQLQIEISA-N 1 0 297.355 2.364 20 5 CEBDRO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000853989680 643962350 /nfs/dbraw/zinc/96/23/50/643962350.db2.gz FHXBZCLORGYIAV-OAHLLOKOSA-N 1 0 293.367 2.142 20 5 CEBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000877827568 650923678 /nfs/dbraw/zinc/92/36/78/650923678.db2.gz CBILISHKIUSSAI-JMSVASOKSA-N 1 0 294.351 2.297 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000757910664 644855846 /nfs/dbraw/zinc/85/58/46/644855846.db2.gz PDZTWUBVGLGDIR-QWHCGFSZSA-N 1 0 291.351 2.037 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](C)C1 ZINC000761076957 645232740 /nfs/dbraw/zinc/23/27/40/645232740.db2.gz QKBDRECHZISNKW-NEPJUHHUSA-N 1 0 263.341 2.292 20 5 CEBDRO Cc1c(CN2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761080749 645233718 /nfs/dbraw/zinc/23/37/18/645233718.db2.gz XUGNMCQMKRTOPH-NSHDSACASA-N 1 0 263.341 2.039 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943848 645824134 /nfs/dbraw/zinc/82/41/34/645824134.db2.gz NEXOKFXITKSDDD-JEOXALJRSA-N 1 0 284.381 2.322 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000769422979 646263306 /nfs/dbraw/zinc/26/33/06/646263306.db2.gz IIPVEDBUHWYDSA-UHFFFAOYSA-N 1 0 297.318 2.129 20 5 CEBDRO [NH3+][C@H]1CC=C(c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000863658758 646781294 /nfs/dbraw/zinc/78/12/94/646781294.db2.gz SWLIKKCZONXXKN-NSHDSACASA-N 1 0 286.291 2.073 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)c1 ZINC000863658538 646781333 /nfs/dbraw/zinc/78/13/33/646781333.db2.gz POCDHHYXUZVXFU-GXSJLCMTSA-N 1 0 292.270 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000776599202 647078012 /nfs/dbraw/zinc/07/80/12/647078012.db2.gz YBWZTGWZOZBVPH-UKRRQHHQSA-N 1 0 276.336 2.360 20 5 CEBDRO CC[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000865818806 647476991 /nfs/dbraw/zinc/47/69/91/647476991.db2.gz FTSYOKADTLSILC-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO CCC(CC)[NH2+]CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865911328 647533407 /nfs/dbraw/zinc/53/34/07/647533407.db2.gz KGFAFHSXMBXHRX-UHFFFAOYSA-N 1 0 299.346 2.416 20 5 CEBDRO C[NH+](C)C1(CNc2nc3ccccn3c2[N+](=O)[O-])CCC1 ZINC000782390849 647620624 /nfs/dbraw/zinc/62/06/24/647620624.db2.gz GNNLTIFSAINAJT-UHFFFAOYSA-N 1 0 289.339 2.139 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206818 647670946 /nfs/dbraw/zinc/67/09/46/647670946.db2.gz FZTZTANZLCGKQV-CHWSQXEVSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206597 647671177 /nfs/dbraw/zinc/67/11/77/647671177.db2.gz SNXWKPXPDLUHFE-JQWIXIFHSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000866209327 647673151 /nfs/dbraw/zinc/67/31/51/647673151.db2.gz QYOHACZPXHFFLM-QWRGUYRKSA-N 1 0 281.381 2.495 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CC1 ZINC000866299362 647722523 /nfs/dbraw/zinc/72/25/23/647722523.db2.gz JECYGHYGJLIBFR-YGRLFVJLSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000866308736 647728661 /nfs/dbraw/zinc/72/86/61/647728661.db2.gz FVVXLLIHGZRGNO-JOYOIKCWSA-N 1 0 268.288 2.043 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783627674 647740249 /nfs/dbraw/zinc/74/02/49/647740249.db2.gz GVXNULMCXHWMQC-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783665124 647745270 /nfs/dbraw/zinc/74/52/70/647745270.db2.gz UPRUWAJNINKGCW-RKDXNWHRSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1O ZINC000783680071 647747510 /nfs/dbraw/zinc/74/75/10/647747510.db2.gz PTXKALMAQTZYAT-TVQRCGJNSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000866356001 647753673 /nfs/dbraw/zinc/75/36/73/647753673.db2.gz ILFDLVVLRFPHCS-QWRGUYRKSA-N 1 0 283.347 2.205 20 5 CEBDRO C[N@H+](C[C@@H]1CC=CCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000784007397 647785379 /nfs/dbraw/zinc/78/53/79/647785379.db2.gz DRZSDXPQPWYJDF-LLVKDONJSA-N 1 0 250.302 2.037 20 5 CEBDRO CC(C)(CCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[N+](=O)[O-] ZINC000871800093 649190803 /nfs/dbraw/zinc/19/08/03/649190803.db2.gz UQUGBIQDEGDOAI-FGWVZKOKSA-N 1 0 294.355 2.056 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872040101 649251078 /nfs/dbraw/zinc/25/10/78/649251078.db2.gz JMIHNNBGHOSRQT-VHSXEESVSA-N 1 0 270.304 2.403 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085514 649268863 /nfs/dbraw/zinc/26/88/63/649268863.db2.gz ZIZGTKMQDXSKTJ-IUCAKERBSA-N 1 0 274.267 2.105 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872223856 649321447 /nfs/dbraw/zinc/32/14/47/649321447.db2.gz OGXAWMNPJYZURF-AWEZNQCLSA-N 1 0 276.292 2.319 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC12CC(C1)C[NH2+]2 ZINC000873202655 649587400 /nfs/dbraw/zinc/58/74/00/649587400.db2.gz XDVDVIPZURXFRS-UHFFFAOYSA-N 1 0 295.770 2.432 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873320503 649636808 /nfs/dbraw/zinc/63/68/08/649636808.db2.gz XDBJBQGZIZYCEH-TZMCWYRMSA-N 1 0 290.323 2.001 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000124582573 649704746 /nfs/dbraw/zinc/70/47/46/649704746.db2.gz VTWAYQUUQARCNG-JOYOIKCWSA-N 1 0 267.304 2.046 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+](C)C ZINC000874467389 649779262 /nfs/dbraw/zinc/77/92/62/649779262.db2.gz MJPUZDARKJRLQQ-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO CO[C@H]1C[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000878565027 651131588 /nfs/dbraw/zinc/13/15/88/651131588.db2.gz DMAZTGNFGXFPAU-OTVXOJSOSA-N 1 0 278.352 2.494 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](O)CC(C)(C)C1 ZINC000879614948 651329881 /nfs/dbraw/zinc/32/98/81/651329881.db2.gz CMSLYUBONIPGTR-CYBMUJFWSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879999797 651371974 /nfs/dbraw/zinc/37/19/74/651371974.db2.gz AZLJCBHWSGTUGT-JTQLQIEISA-N 1 0 292.261 2.066 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CC[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000128392035 651433597 /nfs/dbraw/zinc/43/35/97/651433597.db2.gz MCLCMSZRKKGGAY-OVWNDWIMSA-N 1 0 284.381 2.150 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000882959884 652291617 /nfs/dbraw/zinc/29/16/17/652291617.db2.gz SOYAFKZPNFCWRZ-JTQLQIEISA-N 1 0 265.313 2.110 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000883441915 652471502 /nfs/dbraw/zinc/47/15/02/652471502.db2.gz ACPDANRHPRXJSE-VXGBXAGGSA-N 1 0 283.759 2.464 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000884033443 652643051 /nfs/dbraw/zinc/64/30/51/652643051.db2.gz NRLWSFBOMWJJHO-CMPLNLGQSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000884033444 652643078 /nfs/dbraw/zinc/64/30/78/652643078.db2.gz NRLWSFBOMWJJHO-JQWIXIFHSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000884033445 652643501 /nfs/dbraw/zinc/64/35/01/652643501.db2.gz NRLWSFBOMWJJHO-PWSUYJOCSA-N 1 0 291.351 2.021 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884356122 652809617 /nfs/dbraw/zinc/80/96/17/652809617.db2.gz YZMMKYKIDIZTSQ-QWHCGFSZSA-N 1 0 291.351 2.013 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884556656 652912770 /nfs/dbraw/zinc/91/27/70/652912770.db2.gz WCMFULLTEYQHCX-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000884716720 652969959 /nfs/dbraw/zinc/96/99/59/652969959.db2.gz HJXZIYLAUIAIKP-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908401 805790075 /nfs/dbraw/zinc/79/00/75/805790075.db2.gz GSMFCSYITYOIGR-SSDOTTSWSA-N 1 0 274.679 2.470 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001168310912 806642994 /nfs/dbraw/zinc/64/29/94/806642994.db2.gz WLFSGDJTAXCSQF-FRRDWIJNSA-N 1 0 298.289 2.215 20 5 CEBDRO COc1cccc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167311409 802671459 /nfs/dbraw/zinc/67/14/59/802671459.db2.gz KBIWATUERVORHT-UHFFFAOYSA-N 1 0 298.302 2.401 20 5 CEBDRO [NH3+]Cc1cccn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167593075 803173530 /nfs/dbraw/zinc/17/35/30/803173530.db2.gz JYRWURSPZUSNMO-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO Cc1cc(NC[C@H]2CCN2C)c(F)cc1[N+](=O)[O-] ZINC000712533700 814763997 /nfs/dbraw/zinc/76/39/97/814763997.db2.gz HIPSEAXAJWXTDG-SECBINFHSA-N 1 0 253.277 2.158 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000692810111 803927710 /nfs/dbraw/zinc/92/77/10/803927710.db2.gz GZCQJODDQKPJOX-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000261642388 804609158 /nfs/dbraw/zinc/60/91/58/804609158.db2.gz AJYSVFAFCHRUAR-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(=O)Oc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001225493264 804886835 /nfs/dbraw/zinc/88/68/35/804886835.db2.gz PDPQZJFEZWQDKL-LLVKDONJSA-N 1 0 252.334 2.085 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[C@@H](F)C3)C2)c1 ZINC001119304670 815087517 /nfs/dbraw/zinc/08/75/17/815087517.db2.gz WKYHFSDGJSDGGI-QYNFOATHSA-N 1 0 282.319 2.365 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCOCC1 ZINC001173229426 815630888 /nfs/dbraw/zinc/63/08/88/815630888.db2.gz UUJXQYBEWHVFEU-LBPRGKRZSA-N 1 0 264.325 2.248 20 5 CEBDRO Nc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC001120927644 807355136 /nfs/dbraw/zinc/35/51/36/807355136.db2.gz ZGANJKOBLOPZEX-NSHDSACASA-N 1 0 291.355 2.001 20 5 CEBDRO COC(=O)c1c(F)ccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234305687 807628277 /nfs/dbraw/zinc/62/82/77/807628277.db2.gz PHYYCZRBGIXQCQ-VIFPVBQESA-N 1 0 288.314 2.225 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699807861 807852719 /nfs/dbraw/zinc/85/27/19/807852719.db2.gz CPLNTZNOVNAOEK-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000716847177 815153169 /nfs/dbraw/zinc/15/31/69/815153169.db2.gz REXIMVQVCHCTBP-ZYHUDNBSSA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(N)n1 ZINC000094261232 808123037 /nfs/dbraw/zinc/12/30/37/808123037.db2.gz KBEHOBCQGMZBEB-NSHDSACASA-N 1 0 293.371 2.248 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000168971180 808137639 /nfs/dbraw/zinc/13/76/39/808137639.db2.gz WSMVMNKNNZGPPR-SSDOTTSWSA-N 1 0 259.256 2.235 20 5 CEBDRO CC(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001171792870 815237644 /nfs/dbraw/zinc/23/76/44/815237644.db2.gz MQDJJOXZUWTZGT-UHFFFAOYSA-N 1 0 299.396 2.298 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627603 809333869 /nfs/dbraw/zinc/33/38/69/809333869.db2.gz IPCGQXIOQBFRJW-WCBMZHEXSA-N 1 0 297.742 2.058 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000702065720 809491490 /nfs/dbraw/zinc/49/14/90/809491490.db2.gz XCLFBAJVXRCHSS-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702066002 809491847 /nfs/dbraw/zinc/49/18/47/809491847.db2.gz ZBXFMOSXKKDIOR-PSASIEDQSA-N 1 0 297.742 2.200 20 5 CEBDRO CC1([NH3+])CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000704578824 809741349 /nfs/dbraw/zinc/74/13/49/809741349.db2.gz PQXAGYHZRCZRSV-UHFFFAOYSA-N 1 0 253.277 2.052 20 5 CEBDRO CSC1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000708316248 809926517 /nfs/dbraw/zinc/92/65/17/809926517.db2.gz LBGVPKCSOFLXMC-KGPNIALWSA-N 1 0 282.365 2.112 20 5 CEBDRO CSc1nc(C)c(F)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001230014176 810526399 /nfs/dbraw/zinc/52/63/99/810526399.db2.gz HBWOUBVBMPLRQR-QMMMGPOBSA-N 1 0 274.385 2.120 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252643 815395976 /nfs/dbraw/zinc/39/59/76/815395976.db2.gz WFQGFTQFIDETAV-DGCLKSJQSA-N 1 0 291.351 2.162 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252123 815396088 /nfs/dbraw/zinc/39/60/88/815396088.db2.gz KSVPFJXDBZWVHL-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981226 811310179 /nfs/dbraw/zinc/31/01/79/811310179.db2.gz GVWPCQFHGWROLJ-JYJNAYRXSA-N 1 0 292.379 2.279 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985277 811311323 /nfs/dbraw/zinc/31/13/23/811311323.db2.gz SRGMJFSXBYFGMF-OCCSQVGLSA-N 1 0 276.336 2.294 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001168960016 811313418 /nfs/dbraw/zinc/31/34/18/811313418.db2.gz YZHYFTSMIRKHLW-VHSXEESVSA-N 1 0 270.279 2.500 20 5 CEBDRO Cn1c2ccccc2nc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960189 811314524 /nfs/dbraw/zinc/31/45/24/811314524.db2.gz DNYLGMZFGVTHHX-NWDGAFQWSA-N 1 0 288.351 2.108 20 5 CEBDRO COc1cccc(OCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168968523 811320668 /nfs/dbraw/zinc/32/06/68/811320668.db2.gz ZVLGULOJZTYLAU-CHWSQXEVSA-N 1 0 294.351 2.109 20 5 CEBDRO CC(C)(C)CN1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168991606 811322701 /nfs/dbraw/zinc/32/27/01/811322701.db2.gz IAIPGBVHZXKTQW-IHRRRGAJSA-N 1 0 283.416 2.142 20 5 CEBDRO COc1cccc(OC)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974627 811323351 /nfs/dbraw/zinc/32/33/51/811323351.db2.gz RKEKYSSUAKSYGF-VXGBXAGGSA-N 1 0 294.351 2.239 20 5 CEBDRO Cc1ccc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001168992023 811325292 /nfs/dbraw/zinc/32/52/92/811325292.db2.gz JADCGBDIWYUHRC-ZIAGYGMSSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001168997045 811325584 /nfs/dbraw/zinc/32/55/84/811325584.db2.gz XDUPYMAMBFJQCB-JGVFFNPUSA-N 1 0 275.761 2.332 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168997753 811326171 /nfs/dbraw/zinc/32/61/71/811326171.db2.gz FKSNNAJBAFUKDU-RFQIPJPRSA-N 1 0 298.383 2.143 20 5 CEBDRO COc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C[NH3+] ZINC001169001272 811328595 /nfs/dbraw/zinc/32/85/95/811328595.db2.gz FDQXGELLWZCWOZ-PWSUYJOCSA-N 1 0 279.340 2.011 20 5 CEBDRO Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005774 811330747 /nfs/dbraw/zinc/33/07/47/811330747.db2.gz CYACXTCLFAHXRY-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO C[N@H+](CCc1ccccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007105 811331982 /nfs/dbraw/zinc/33/19/82/811331982.db2.gz LCCUPBZZMYVLJC-GXTWGEPZSA-N 1 0 263.341 2.001 20 5 CEBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007999 811333362 /nfs/dbraw/zinc/33/33/62/811333362.db2.gz QOEOUSNTMSEDRA-GVXVVHGQSA-N 1 0 292.335 2.164 20 5 CEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010958 811334438 /nfs/dbraw/zinc/33/44/38/811334438.db2.gz GOSNBBCUHVSZMP-MJBXVCDLSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(OC3CCC3)CC2)C1 ZINC001169011800 811335428 /nfs/dbraw/zinc/33/54/28/811335428.db2.gz MKCJZDPADUPMMB-OLZOCXBDSA-N 1 0 282.384 2.465 20 5 CEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988065 811337566 /nfs/dbraw/zinc/33/75/66/811337566.db2.gz NCMPMNPOHUPYFQ-XBFCOCLRSA-N 1 0 278.352 2.358 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1F ZINC001168988618 811337761 /nfs/dbraw/zinc/33/77/61/811337761.db2.gz SYUPYPPXRNGXAY-CMPLNLGQSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2COCc3ccccc32)C1 ZINC001168987778 811338148 /nfs/dbraw/zinc/33/81/48/811338148.db2.gz KGHAACGLZUHFHJ-UXIGCNINSA-N 1 0 276.336 2.293 20 5 CEBDRO COC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987939 811338527 /nfs/dbraw/zinc/33/85/27/811338527.db2.gz LNKLZDVFAWEISJ-QEJZJMRPSA-N 1 0 278.352 2.409 20 5 CEBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168990687 811339981 /nfs/dbraw/zinc/33/99/81/811339981.db2.gz DJCASJYWAZSOJK-CORIIIEPSA-N 1 0 275.352 2.412 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037026 811345955 /nfs/dbraw/zinc/34/59/55/811345955.db2.gz HWAJQVUCTQSSOM-UWVGGRQHSA-N 1 0 292.351 2.258 20 5 CEBDRO Cc1nc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)no1 ZINC001169035351 811345984 /nfs/dbraw/zinc/34/59/84/811345984.db2.gz KOECNCKJHPOYRT-AAEUAGOBSA-N 1 0 294.355 2.003 20 5 CEBDRO C[N@H+](Cc1nccs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036553 811346800 /nfs/dbraw/zinc/34/68/00/811346800.db2.gz GMHOSYIXASCLED-VHSXEESVSA-N 1 0 255.343 2.020 20 5 CEBDRO CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169040993 811350820 /nfs/dbraw/zinc/35/08/20/811350820.db2.gz AHKGSHOCVNYBOX-OCCSQVGLSA-N 1 0 270.373 2.323 20 5 CEBDRO C[N@H+](CCc1ccncc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023248 811355028 /nfs/dbraw/zinc/35/50/28/811355028.db2.gz DTVKZASAYCWSTO-UONOGXRCSA-N 1 0 263.341 2.001 20 5 CEBDRO CC1(C)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)O1 ZINC001169045735 811355666 /nfs/dbraw/zinc/35/56/66/811355666.db2.gz JVMXSLBMOJEBQA-VXGBXAGGSA-N 1 0 270.373 2.321 20 5 CEBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053898 811358202 /nfs/dbraw/zinc/35/82/02/811358202.db2.gz KBAKJNVHWCGRSE-BFHYXJOUSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](C2CCC2)C2CCOCC2)C1 ZINC001169057431 811359612 /nfs/dbraw/zinc/35/96/12/811359612.db2.gz VGIURQUUSLAKBC-IUODEOHRSA-N 1 0 282.384 2.465 20 5 CEBDRO CC(C)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169056856 811359634 /nfs/dbraw/zinc/35/96/34/811359634.db2.gz TXEODAPRJSYJFY-OCCSQVGLSA-N 1 0 270.373 2.321 20 5 CEBDRO [NH3+]CCON=c1ccc2ccc3cccnc3c2[nH]1 ZINC001156291909 811479286 /nfs/dbraw/zinc/47/92/86/811479286.db2.gz SUAUZOBTAYADLH-UHFFFAOYSA-N 1 0 254.293 2.085 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169715448 811639369 /nfs/dbraw/zinc/63/93/69/811639369.db2.gz ALDJBKCHXKBMMB-UHFFFAOYSA-N 1 0 292.343 2.008 20 5 CEBDRO COc1ccc(C[C@H](C)n2ccnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170300084 812376450 /nfs/dbraw/zinc/37/64/50/812376450.db2.gz WTHDWXBXABSBBM-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)C(C)=O)c([N+](=O)[O-])c1 ZINC001170298600 812376986 /nfs/dbraw/zinc/37/69/86/812376986.db2.gz MYEWGEHJSZHCLS-SNVBAGLBSA-N 1 0 294.351 2.492 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CCO)c([N+](=O)[O-])c1 ZINC001170307832 812390348 /nfs/dbraw/zinc/39/03/48/812390348.db2.gz IOOJPKXDLYQHER-NSHDSACASA-N 1 0 296.367 2.285 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170308196 812391894 /nfs/dbraw/zinc/39/18/94/812391894.db2.gz MIHVQWIJERJRJT-JKOKRWQUSA-N 1 0 294.351 2.301 20 5 CEBDRO C[C@H](O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902958 815541065 /nfs/dbraw/zinc/54/10/65/815541065.db2.gz NPLDYAKKJFEEII-FZMZJTMJSA-N 1 0 278.352 2.203 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895573 815542491 /nfs/dbraw/zinc/54/24/91/815542491.db2.gz FURVPPLLWCLGRD-KGLIPLIRSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC001172895807 815542611 /nfs/dbraw/zinc/54/26/11/815542611.db2.gz JCCRVDBILOFURU-KGLIPLIRSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1COC1)CC2 ZINC001172896188 815542894 /nfs/dbraw/zinc/54/28/94/815542894.db2.gz NAZKTBVJFBDZRI-CQSZACIVSA-N 1 0 276.336 2.078 20 5 CEBDRO C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001158673587 812898083 /nfs/dbraw/zinc/89/80/83/812898083.db2.gz JZMCZOKLOPUTAH-LBPRGKRZSA-N 1 0 284.747 2.208 20 5 CEBDRO [NH3+]Cc1ccn(-c2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001158766462 812981977 /nfs/dbraw/zinc/98/19/77/812981977.db2.gz DEZMBLZKHWIJFA-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+](C)C)n1 ZINC000162616904 813063732 /nfs/dbraw/zinc/06/37/32/813063732.db2.gz JNMPTPBQSXUCOE-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170861372 813553829 /nfs/dbraw/zinc/55/38/29/813553829.db2.gz AMOWPFOUJUFHCL-FYJFLYSWSA-N 1 0 285.731 2.057 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(C)(C)C[NH3+])c1F ZINC001173177349 815617073 /nfs/dbraw/zinc/61/70/73/815617073.db2.gz SXMQZLUSKPZCTI-SECBINFHSA-N 1 0 299.346 2.000 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712565726 814767346 /nfs/dbraw/zinc/76/73/46/814767346.db2.gz QVCAQVMOHQGYDU-KGLIPLIRSA-N 1 0 263.341 2.340 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000714459516 814907034 /nfs/dbraw/zinc/90/70/34/814907034.db2.gz NOGCGXJPGUMEDQ-WAAGHKOSSA-N 1 0 256.327 2.171 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001117312600 814914516 /nfs/dbraw/zinc/91/45/16/814914516.db2.gz WTDIGPNLZAVJSY-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001117311956 814914733 /nfs/dbraw/zinc/91/47/33/814914733.db2.gz MNDYWLSBODVGEN-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO CC/C=C(/C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124345615 815611665 /nfs/dbraw/zinc/61/16/65/815611665.db2.gz YMOMUHNRLVKMGK-XGICHPGQSA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(C)OCCO1 ZINC001173215103 815623178 /nfs/dbraw/zinc/62/31/78/815623178.db2.gz SDODVVHEEPKLNZ-LBPRGKRZSA-N 1 0 294.351 2.269 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC1 ZINC001173214837 815623523 /nfs/dbraw/zinc/62/35/23/815623523.db2.gz QTJMZCJQUKCEST-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173216253 815623622 /nfs/dbraw/zinc/62/36/22/815623622.db2.gz HTGNVEKAHFAMSD-VHRBIJSZSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(C[NH3+])cc1=N ZINC001173216315 815623804 /nfs/dbraw/zinc/62/38/04/815623804.db2.gz IQOIAIZTDCVNNT-NSHDSACASA-N 1 0 286.335 2.138 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](O)C1 ZINC001173222019 815625936 /nfs/dbraw/zinc/62/59/36/815625936.db2.gz OLFLOCKTERYNFU-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001173223555 815627490 /nfs/dbraw/zinc/62/74/90/815627490.db2.gz AVSXDRVILQJUJO-XUJVJEKNSA-N 1 0 278.352 2.371 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001173214461 815636972 /nfs/dbraw/zinc/63/69/72/815636972.db2.gz CFDPCNATMBRMHA-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO COCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449063010 282085702 /nfs/dbraw/zinc/08/57/02/282085702.db2.gz LEZHIICUTURXRW-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnc1 ZINC000449062689 282085706 /nfs/dbraw/zinc/08/57/06/282085706.db2.gz JURAJLPDRNEZNH-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000449079682 282092011 /nfs/dbraw/zinc/09/20/11/282092011.db2.gz ZVHJHGVLTTYIBE-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449087014 282094889 /nfs/dbraw/zinc/09/48/89/282094889.db2.gz UFZZHIDBAPYPLA-LBPRGKRZSA-N 1 0 293.367 2.032 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000079769433 343990164 /nfs/dbraw/zinc/99/01/64/343990164.db2.gz AAOFJNZSVVKOBV-AWEZNQCLSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCOC1 ZINC000079900732 343993444 /nfs/dbraw/zinc/99/34/44/343993444.db2.gz FIOVIRMROLAXBK-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000268169057 282119417 /nfs/dbraw/zinc/11/94/17/282119417.db2.gz KTODXIYWVVIZSF-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601330047 346822252 /nfs/dbraw/zinc/82/22/52/346822252.db2.gz PNORIFGQBZKARZ-SDDRHHMPSA-N 1 0 261.325 2.092 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c(F)c1 ZINC000601334460 346823705 /nfs/dbraw/zinc/82/37/05/346823705.db2.gz KUDNFLKUNQBCDN-XHDPSFHLSA-N 1 0 293.342 2.308 20 5 CEBDRO CC[C@](C)(CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449220414 282146484 /nfs/dbraw/zinc/14/64/84/282146484.db2.gz QBAOOVBEJIRXLU-SMDDNHRTSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737840 361925333 /nfs/dbraw/zinc/92/53/33/361925333.db2.gz HLSLJXQTVLHJRU-GHMZBOCLSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080606005 344016325 /nfs/dbraw/zinc/01/63/25/344016325.db2.gz VNGQXVSYZRQAGL-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334354 187233959 /nfs/dbraw/zinc/23/39/59/187233959.db2.gz NUKBKQBXDRKPLK-AAEUAGOBSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+](CC)CCSc1ncccc1[N+](=O)[O-] ZINC000005585267 343354853 /nfs/dbraw/zinc/35/48/53/343354853.db2.gz LKOHYAHBOMHCBA-UHFFFAOYSA-N 1 0 255.343 2.424 20 5 CEBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030149898 343403608 /nfs/dbraw/zinc/40/36/08/343403608.db2.gz QCVNNANHWIMSRG-JTQLQIEISA-N 1 0 279.340 2.170 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000449506789 282262953 /nfs/dbraw/zinc/26/29/53/282262953.db2.gz LGAUOVGVOFTJEW-CVEARBPZSA-N 1 0 290.363 2.482 20 5 CEBDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766560 343431097 /nfs/dbraw/zinc/43/10/97/343431097.db2.gz YSBCHRPZFRWSJT-NSHDSACASA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000038006002 343433060 /nfs/dbraw/zinc/43/30/60/343433060.db2.gz GEFKKMFQIYWIEV-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccn2)cc1 ZINC000038079380 343433559 /nfs/dbraw/zinc/43/35/59/343433559.db2.gz VUFRYMLVGXGLGL-UHFFFAOYSA-N 1 0 273.292 2.158 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484627 290055910 /nfs/dbraw/zinc/05/59/10/290055910.db2.gz KYRCECLEBXAOLL-UMNHJUIQSA-N 1 0 250.298 2.423 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000449524555 282272394 /nfs/dbraw/zinc/27/23/94/282272394.db2.gz RCPVGQFNIJEPTL-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000044364562 343470304 /nfs/dbraw/zinc/47/03/04/343470304.db2.gz RIPGBNRALXDJRW-CYBMUJFWSA-N 1 0 277.368 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057704595 343635623 /nfs/dbraw/zinc/63/56/23/343635623.db2.gz HCTMENNPVXNUGY-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000057838862 343638848 /nfs/dbraw/zinc/63/88/48/343638848.db2.gz OTSIOPIECGMCGX-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO O=[N+]([O-])c1sccc1NCCCC[NH+]1CCOCC1 ZINC000063262462 343675543 /nfs/dbraw/zinc/67/55/43/343675543.db2.gz AXFHPPNXHOBCJH-UHFFFAOYSA-N 1 0 285.369 2.181 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000295440823 199509890 /nfs/dbraw/zinc/50/98/90/199509890.db2.gz PLJNXJORKPJCHU-JTNHKYCSSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449583570 282292632 /nfs/dbraw/zinc/29/26/32/282292632.db2.gz BOUYLBWCFPIRBQ-HTQZYQBOSA-N 1 0 293.348 2.275 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066139594 343708003 /nfs/dbraw/zinc/70/80/03/343708003.db2.gz ZCTMRMCUVOICOD-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000351495036 219105446 /nfs/dbraw/zinc/10/54/46/219105446.db2.gz PNGKDQCMDGWOFU-KBPBESRZSA-N 1 0 282.315 2.375 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066810342 343722290 /nfs/dbraw/zinc/72/22/90/343722290.db2.gz CJLBKUQRFHTSQD-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000602019026 346961341 /nfs/dbraw/zinc/96/13/41/346961341.db2.gz DMKJQYKKFNDHOK-PHIMTYICSA-N 1 0 281.743 2.184 20 5 CEBDRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602073662 346968834 /nfs/dbraw/zinc/96/88/34/346968834.db2.gz POPFBYBLPQRIHB-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000602027166 346964354 /nfs/dbraw/zinc/96/43/54/346964354.db2.gz DYQSTPUNFSSSFO-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068342431 343762328 /nfs/dbraw/zinc/76/23/28/343762328.db2.gz IBJYEAITOQYMFZ-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075613431 343859264 /nfs/dbraw/zinc/85/92/64/343859264.db2.gz GQLRPUJRVZRPAC-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616079 343859580 /nfs/dbraw/zinc/85/95/80/343859580.db2.gz VHAAXNJLRHTPQQ-LBPRGKRZSA-N 1 0 263.341 2.293 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000075651123 343861303 /nfs/dbraw/zinc/86/13/03/343861303.db2.gz VLPKDXBZHWPNAM-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636519 282313342 /nfs/dbraw/zinc/31/33/42/282313342.db2.gz DHQZMUKXEYSAGJ-YPMHNXCESA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000077667574 343929350 /nfs/dbraw/zinc/92/93/50/343929350.db2.gz AHSLOPVOWOBAAU-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000077667571 343929508 /nfs/dbraw/zinc/92/95/08/343929508.db2.gz AHSLOPVOWOBAAU-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1nn(C)c(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000048555629 362283924 /nfs/dbraw/zinc/28/39/24/362283924.db2.gz RCMJAUNPPNKFDK-NSHDSACASA-N 1 0 283.376 2.025 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000049075939 362333531 /nfs/dbraw/zinc/33/35/31/362333531.db2.gz ITCBREOJCYQWMW-NSHDSACASA-N 1 0 274.324 2.278 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000090910074 344146770 /nfs/dbraw/zinc/14/67/70/344146770.db2.gz XGQLBOFCJBIBAT-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000093992607 344233473 /nfs/dbraw/zinc/23/34/73/344233473.db2.gz TYILIFRLHHHLPQ-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000093992606 344233545 /nfs/dbraw/zinc/23/35/45/344233545.db2.gz TYILIFRLHHHLPQ-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000092829874 344205107 /nfs/dbraw/zinc/20/51/07/344205107.db2.gz QTDCQMXQXWWTMG-NSHDSACASA-N 1 0 295.387 2.177 20 5 CEBDRO CC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122201195 344305458 /nfs/dbraw/zinc/30/54/58/344305458.db2.gz XMZBAPULFQRSRS-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO Cc1ccc(OCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000122528855 344307086 /nfs/dbraw/zinc/30/70/86/344307086.db2.gz ALHCBAIYIPWLKV-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000134403026 344373473 /nfs/dbraw/zinc/37/34/73/344373473.db2.gz AAKHRDDWZGAFIM-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963417 362388649 /nfs/dbraw/zinc/38/86/49/362388649.db2.gz UBOOMNSEAISAIX-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142903339 344404389 /nfs/dbraw/zinc/40/43/89/344404389.db2.gz FKOGVDQAYWZMDS-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000156962628 344444876 /nfs/dbraw/zinc/44/48/76/344444876.db2.gz HEFZDPNJKCMLDB-HNNXBMFYSA-N 1 0 278.352 2.374 20 5 CEBDRO COc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000164984236 344473098 /nfs/dbraw/zinc/47/30/98/344473098.db2.gz QGEMYAJAPXHNJT-SECBINFHSA-N 1 0 290.279 2.078 20 5 CEBDRO CS[C@@H]1CCCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602488987 347057029 /nfs/dbraw/zinc/05/70/29/347057029.db2.gz XRJFTTJNMOCUKU-LLVKDONJSA-N 1 0 284.385 2.046 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000053070785 362481390 /nfs/dbraw/zinc/48/13/90/362481390.db2.gz ZBRQTQSHYANLAI-UHFFFAOYSA-N 1 0 282.340 2.244 20 5 CEBDRO C[C@H](CO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520497 347065107 /nfs/dbraw/zinc/06/51/07/347065107.db2.gz GUFJBOKIFYACHE-QMMMGPOBSA-N 1 0 292.257 2.332 20 5 CEBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270854004 344666653 /nfs/dbraw/zinc/66/66/53/344666653.db2.gz HECNASPFVUIOMW-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000285939578 344678905 /nfs/dbraw/zinc/67/89/05/344678905.db2.gz FQVKRWUMXLHVBU-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO Cc1c(Cn2cc([C@H]([NH3+])C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000313466011 344742168 /nfs/dbraw/zinc/74/21/68/344742168.db2.gz XNEPNELPOQLMOC-CQSZACIVSA-N 1 0 289.339 2.199 20 5 CEBDRO C[N@@H+]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000411153420 530054115 /nfs/dbraw/zinc/05/41/15/530054115.db2.gz JCSQTCYRWJAREB-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449756019 282355871 /nfs/dbraw/zinc/35/58/71/282355871.db2.gz VDHDYZPQRWLCLE-CYBMUJFWSA-N 1 0 291.351 2.028 20 5 CEBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602562718 347078629 /nfs/dbraw/zinc/07/86/29/347078629.db2.gz VZRGJLMMUJVALQ-CYBMUJFWSA-N 1 0 293.323 2.497 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220526 344878627 /nfs/dbraw/zinc/87/86/27/344878627.db2.gz XFERUQJARBZQTD-SWLSCSKDSA-N 1 0 294.351 2.095 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000449793513 282370498 /nfs/dbraw/zinc/37/04/98/282370498.db2.gz XDNBDZMBHNWBCQ-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO CC(C)[N@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000054128296 362514094 /nfs/dbraw/zinc/51/40/94/362514094.db2.gz DFPALCKNURBFBT-UHFFFAOYSA-N 1 0 283.357 2.056 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000054614393 362538266 /nfs/dbraw/zinc/53/82/66/362538266.db2.gz LWXBPYPBIBLXCB-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010500 345109945 /nfs/dbraw/zinc/10/99/45/345109945.db2.gz MPWTWWCMUTXPEB-BXUZGUMPSA-N 1 0 295.770 2.384 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000591160952 345227108 /nfs/dbraw/zinc/22/71/08/345227108.db2.gz WWPVQEIUHGYTNI-ZACCUICWSA-N 1 0 294.330 2.190 20 5 CEBDRO Cc1cc(NC(=O)N2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591296728 345238127 /nfs/dbraw/zinc/23/81/27/345238127.db2.gz WMYNGZKBPYNBAH-UHFFFAOYSA-N 1 0 292.339 2.248 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591448658 345256892 /nfs/dbraw/zinc/25/68/92/345256892.db2.gz LRNKGRSDGLWKKL-FPMFFAJLSA-N 1 0 275.352 2.482 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000590972694 345208833 /nfs/dbraw/zinc/20/88/33/345208833.db2.gz GKUFECHNIJUTRH-QWRGUYRKSA-N 1 0 280.349 2.163 20 5 CEBDRO C[C@@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581321 345266934 /nfs/dbraw/zinc/26/69/34/345266934.db2.gz PVXKZWBXKNBVRM-NOZJJQNGSA-N 1 0 263.341 2.254 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591673127 345273243 /nfs/dbraw/zinc/27/32/43/345273243.db2.gz OOUWOWHMEGJGQW-MFKMUULPSA-N 1 0 291.351 2.078 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC000591751609 345277250 /nfs/dbraw/zinc/27/72/50/345277250.db2.gz JGCQRQWMVZTWBF-CHWSQXEVSA-N 1 0 292.335 2.033 20 5 CEBDRO CC1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591764957 345278191 /nfs/dbraw/zinc/27/81/91/345278191.db2.gz KWHWZLRGHMBGAO-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCN2Cc3cccnc3C2)cc1 ZINC000591846263 345288169 /nfs/dbraw/zinc/28/81/69/345288169.db2.gz WZHUMRSPODWBSI-UHFFFAOYSA-N 1 0 285.303 2.384 20 5 CEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592433131 345353002 /nfs/dbraw/zinc/35/30/02/345353002.db2.gz AGXYOLUPPBOVLZ-STQMWFEESA-N 1 0 281.331 2.035 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000592543546 345369625 /nfs/dbraw/zinc/36/96/25/345369625.db2.gz GCBOCRPEGZYDKO-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CCN(CC(F)F)CC2)cc1 ZINC000057911801 232179255 /nfs/dbraw/zinc/17/92/55/232179255.db2.gz ZRYMWYWCEPJASW-UHFFFAOYSA-N 1 0 299.321 2.020 20 5 CEBDRO Cc1cc(N[C@H](CO)CCF)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593508538 345500504 /nfs/dbraw/zinc/50/05/04/345500504.db2.gz HOOBNVXGBVKUBG-JTQLQIEISA-N 1 0 293.298 2.006 20 5 CEBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000127435845 187305877 /nfs/dbraw/zinc/30/58/77/187305877.db2.gz IWMNIURNDFTVRR-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694997 345523273 /nfs/dbraw/zinc/52/32/73/345523273.db2.gz VRUMMEZCQWTWCN-PZBABLGHSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594427430 345626350 /nfs/dbraw/zinc/62/63/50/345626350.db2.gz UJVFGWYVTZAWAH-WFASDCNBSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)CC1CC1 ZINC000594499072 345639238 /nfs/dbraw/zinc/63/92/38/345639238.db2.gz AGKUYAJLEBGTCH-BXUZGUMPSA-N 1 0 276.336 2.333 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000594094090 345582956 /nfs/dbraw/zinc/58/29/56/345582956.db2.gz GLLPFLMGLIRNJL-GSJFWJNXSA-N 1 0 292.339 2.057 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000594599257 345656335 /nfs/dbraw/zinc/65/63/35/345656335.db2.gz IPVKQVHSAXDYDL-CHWSQXEVSA-N 1 0 276.340 2.419 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594599996 345656980 /nfs/dbraw/zinc/65/69/80/345656980.db2.gz KYECQOIWIUEUCO-DGCLKSJQSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[C@@H](C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594717934 345678618 /nfs/dbraw/zinc/67/86/18/345678618.db2.gz IGDKPMYZRVDKJI-OCCSQVGLSA-N 1 0 296.367 2.360 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000595103300 345742987 /nfs/dbraw/zinc/74/29/87/345742987.db2.gz KZGXDAIJCKPBCZ-NMFUWQPSSA-N 1 0 290.363 2.419 20 5 CEBDRO Cc1ccc(NC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595229979 345746700 /nfs/dbraw/zinc/74/67/00/345746700.db2.gz JUCLXBLDHYZIRD-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC(C)C ZINC000594973453 345720293 /nfs/dbraw/zinc/72/02/93/345720293.db2.gz BWENPJMILKUXQV-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(F)c1 ZINC000594988011 345722525 /nfs/dbraw/zinc/72/25/25/345722525.db2.gz NOSUUQOSTKUYOL-QWHCGFSZSA-N 1 0 280.299 2.127 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](O)C1 ZINC000595000893 345724191 /nfs/dbraw/zinc/72/41/91/345724191.db2.gz MWHAZHKHZQNIGQ-VGRYAAEGSA-N 1 0 262.309 2.111 20 5 CEBDRO CCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012490 345726844 /nfs/dbraw/zinc/72/68/44/345726844.db2.gz OVPGVNHIQWICAH-SNVBAGLBSA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000595016078 345727483 /nfs/dbraw/zinc/72/74/83/345727483.db2.gz GZSZTGQNOZDNHB-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021454 345729138 /nfs/dbraw/zinc/72/91/38/345729138.db2.gz XVQKDIZLIZOVIY-HZMBPMFUSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595553602 345811798 /nfs/dbraw/zinc/81/17/98/345811798.db2.gz ZIIZXBGHWMHURF-OYNCUSHFSA-N 1 0 253.302 2.368 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560339 345813563 /nfs/dbraw/zinc/81/35/63/345813563.db2.gz ARIALVDNRCCXCH-RYUDHWBXSA-N 1 0 295.339 2.282 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595423210 345778281 /nfs/dbraw/zinc/77/82/81/345778281.db2.gz KFGRMVDGHXUPMN-GFCCVEGCSA-N 1 0 295.339 2.282 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595435243 345782269 /nfs/dbraw/zinc/78/22/69/345782269.db2.gz DBWYZZIWTIOGGQ-KOLCDFICSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@H](C)[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595599081 345822034 /nfs/dbraw/zinc/82/20/34/345822034.db2.gz KWUOEHCSXVIBNG-JTQLQIEISA-N 1 0 279.340 2.314 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595493495 345795204 /nfs/dbraw/zinc/79/52/04/345795204.db2.gz RUVIIZVUAKUXFK-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826862 345887283 /nfs/dbraw/zinc/88/72/83/345887283.db2.gz KKLVPCODTBTBFO-CHWSQXEVSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757378 345868198 /nfs/dbraw/zinc/86/81/98/345868198.db2.gz JENHJYGREWHHHS-SMDDNHRTSA-N 1 0 280.299 2.202 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756922 345868388 /nfs/dbraw/zinc/86/83/88/345868388.db2.gz HRINNXWCFPSHQD-TZMCWYRMSA-N 1 0 262.309 2.063 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595784619 345876211 /nfs/dbraw/zinc/87/62/11/345876211.db2.gz TUKKAKAYVIFCSL-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1cc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596063716 345931084 /nfs/dbraw/zinc/93/10/84/345931084.db2.gz WPIMQDMKRDYVIG-UHFFFAOYSA-N 1 0 298.412 2.014 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCCF)c(Cl)c1 ZINC000596057400 345929664 /nfs/dbraw/zinc/92/96/64/345929664.db2.gz OXWNTGRNGRPBEX-UHFFFAOYSA-N 1 0 276.695 2.324 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956494 345917561 /nfs/dbraw/zinc/91/75/61/345917561.db2.gz JGGIBAFQIWPWNQ-CQSZACIVSA-N 1 0 291.351 2.084 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000596013647 345923059 /nfs/dbraw/zinc/92/30/59/345923059.db2.gz ITFMZOIABBCCFZ-TXEJJXNPSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596078067 345934875 /nfs/dbraw/zinc/93/48/75/345934875.db2.gz ZIWJLQNBVHZAKE-SNVBAGLBSA-N 1 0 298.774 2.351 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596097548 345939265 /nfs/dbraw/zinc/93/92/65/345939265.db2.gz ZBDKBLHDHURLLR-UHFFFAOYSA-N 1 0 294.355 2.006 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596110963 345942089 /nfs/dbraw/zinc/94/20/89/345942089.db2.gz SVKLECKNFIAPJJ-LLVKDONJSA-N 1 0 299.396 2.487 20 5 CEBDRO CCN(CCC[NH+](C)C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596204632 345968572 /nfs/dbraw/zinc/96/85/72/345968572.db2.gz BQEKSKSVPKTXHT-UHFFFAOYSA-N 1 0 286.763 2.421 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596241944 345978577 /nfs/dbraw/zinc/97/85/77/345978577.db2.gz KWBDQWBVMFGMAG-ZDUSSCGKSA-N 1 0 296.758 2.175 20 5 CEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128286021 187361750 /nfs/dbraw/zinc/36/17/50/187361750.db2.gz QXIAZYYTAWSNLA-UHFFFAOYSA-N 1 0 281.287 2.157 20 5 CEBDRO Cc1noc(COc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000596259886 345983571 /nfs/dbraw/zinc/98/35/71/345983571.db2.gz CUJPIXUCHSUMCK-UHFFFAOYSA-N 1 0 263.253 2.482 20 5 CEBDRO C[N@H+](CCCCNc1c(Cl)cncc1[N+](=O)[O-])C1CC1 ZINC000596260513 345983934 /nfs/dbraw/zinc/98/39/34/345983934.db2.gz FQWMFKRQDVWFCT-UHFFFAOYSA-N 1 0 298.774 2.351 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000596309283 345996127 /nfs/dbraw/zinc/99/61/27/345996127.db2.gz XNAVMYYZGPKXKV-SNVBAGLBSA-N 1 0 264.329 2.275 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000596501830 346040212 /nfs/dbraw/zinc/04/02/12/346040212.db2.gz QGLJAAAYTRKEGL-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654538 346072869 /nfs/dbraw/zinc/07/28/69/346072869.db2.gz PYZFJRFKPFXAIE-QWRGUYRKSA-N 1 0 281.356 2.252 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598647568 346392483 /nfs/dbraw/zinc/39/24/83/346392483.db2.gz OUHWSWJOJDOWCW-PWSUYJOCSA-N 1 0 282.315 2.184 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cs1 ZINC000599006287 346445373 /nfs/dbraw/zinc/44/53/73/346445373.db2.gz GJLWVLMTMPUWNI-MNOVXSKESA-N 1 0 268.338 2.313 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913237 346433463 /nfs/dbraw/zinc/43/34/63/346433463.db2.gz FYUSLWODRDXJDC-SECBINFHSA-N 1 0 298.318 2.373 20 5 CEBDRO Nc1cc[nH+]c2c1CN(c1sccc1[N+](=O)[O-])CC2 ZINC000598941475 346435228 /nfs/dbraw/zinc/43/52/28/346435228.db2.gz FBJIGZCFACOSDE-UHFFFAOYSA-N 1 0 276.321 2.196 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598991190 346443362 /nfs/dbraw/zinc/44/33/62/346443362.db2.gz LYKPTRBTKBEBOF-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1COC1 ZINC000599078839 346456757 /nfs/dbraw/zinc/45/67/57/346456757.db2.gz BVKPVXBVJBLUAC-NSHDSACASA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602600197 347095067 /nfs/dbraw/zinc/09/50/67/347095067.db2.gz NJHMIRXNTGSIHF-RTXFEEFZSA-N 1 0 278.356 2.339 20 5 CEBDRO C/C=C/C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600758086 346685097 /nfs/dbraw/zinc/68/50/97/346685097.db2.gz VMCBXNKWKRKLEQ-NSCUHMNNSA-N 1 0 263.297 2.089 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC000601136724 346765665 /nfs/dbraw/zinc/76/56/65/346765665.db2.gz KEEYMLDDGUYFRX-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147752 346768976 /nfs/dbraw/zinc/76/89/76/346768976.db2.gz XBIDKQWZSNZALX-LLVKDONJSA-N 1 0 274.267 2.009 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150885 346770511 /nfs/dbraw/zinc/77/05/11/346770511.db2.gz HEYFDFQWFIMMEQ-KWQFWETISA-N 1 0 292.257 2.305 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000601188065 346781572 /nfs/dbraw/zinc/78/15/72/346781572.db2.gz AYLZQDJVVNXDNJ-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC34CC4)nc2c1 ZINC000602696250 347152676 /nfs/dbraw/zinc/15/26/76/347152676.db2.gz XGDQMLTVNWYKIK-LLVKDONJSA-N 1 0 259.265 2.378 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000602769209 347190635 /nfs/dbraw/zinc/19/06/35/347190635.db2.gz OGJVWFHHNFPILV-JTQLQIEISA-N 1 0 278.312 2.386 20 5 CEBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819006 347212821 /nfs/dbraw/zinc/21/28/21/347212821.db2.gz PKLCDQXXUGPENZ-NWDGAFQWSA-N 1 0 298.412 2.482 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000602763912 347188326 /nfs/dbraw/zinc/18/83/26/347188326.db2.gz UPSGAJJCSKYMMG-SNVBAGLBSA-N 1 0 268.361 2.466 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602930629 347250612 /nfs/dbraw/zinc/25/06/12/347250612.db2.gz ILCBKVWHWYMUOX-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602932519 347251512 /nfs/dbraw/zinc/25/15/12/347251512.db2.gz ZPZSCIGMCDWDQN-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602837491 347219118 /nfs/dbraw/zinc/21/91/18/347219118.db2.gz NYRTYNRCUFZIFJ-CHWSQXEVSA-N 1 0 296.371 2.037 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000603858027 347392190 /nfs/dbraw/zinc/39/21/90/347392190.db2.gz AEPOIWRZCMRHMK-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832065 365897520 /nfs/dbraw/zinc/89/75/20/365897520.db2.gz LIPQAEOINFMCRE-AAEUAGOBSA-N 1 0 282.340 2.297 20 5 CEBDRO COc1ccc(C[N@H+](CCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000609317344 347634530 /nfs/dbraw/zinc/63/45/30/347634530.db2.gz VZTPQZNUSUTZOF-UHFFFAOYSA-N 1 0 296.367 2.444 20 5 CEBDRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000610112147 347660645 /nfs/dbraw/zinc/66/06/45/347660645.db2.gz ZKDOTEVJFFNOLI-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610605337 347696204 /nfs/dbraw/zinc/69/62/04/347696204.db2.gz YKVBTBUAGRAOML-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO CCC[NH+](CCC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610657084 347698791 /nfs/dbraw/zinc/69/87/91/347698791.db2.gz ANDOBKFMJBKOQD-UHFFFAOYSA-N 1 0 254.334 2.222 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccncc1 ZINC000610656805 347698884 /nfs/dbraw/zinc/69/88/84/347698884.db2.gz SMDAMIVSUCOMAT-UHFFFAOYSA-N 1 0 289.339 2.017 20 5 CEBDRO Cc1cnc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610283969 347669690 /nfs/dbraw/zinc/66/96/90/347669690.db2.gz FDEIEGDIHZJRFF-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1sccc1[N+](=O)[O-] ZINC000611412305 347775953 /nfs/dbraw/zinc/77/59/53/347775953.db2.gz NZQSLSAAYLZSBA-UHFFFAOYSA-N 1 0 255.343 2.188 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929803 347723332 /nfs/dbraw/zinc/72/33/32/347723332.db2.gz QNKDURDPNYNLAU-SNVBAGLBSA-N 1 0 284.747 2.174 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611516434 347789236 /nfs/dbraw/zinc/78/92/36/347789236.db2.gz VNXHPZWSJRFLNR-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO COCCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130082242 365922374 /nfs/dbraw/zinc/92/23/74/365922374.db2.gz XNUYZWAPHZUKNM-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCc2c[nH]nc2C1 ZINC000612578575 347903586 /nfs/dbraw/zinc/90/35/86/347903586.db2.gz XKPFYDQMRWQPQY-UHFFFAOYSA-N 1 0 272.308 2.185 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000066124789 362852544 /nfs/dbraw/zinc/85/25/44/362852544.db2.gz QPWDOTHQFKYHKQ-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013112 179379669 /nfs/dbraw/zinc/37/96/69/179379669.db2.gz WYNKBTBDGOSZEX-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000273396305 192137241 /nfs/dbraw/zinc/13/72/41/192137241.db2.gz KWKSDRINKRKKQJ-SNVBAGLBSA-N 1 0 252.314 2.152 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000339538159 215235446 /nfs/dbraw/zinc/23/54/46/215235446.db2.gz JLWZDYKMGIGAPI-GFCCVEGCSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000339624165 215273472 /nfs/dbraw/zinc/27/34/72/215273472.db2.gz WYCBIUKTZBHVTO-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCOC1 ZINC000619531152 349194912 /nfs/dbraw/zinc/19/49/12/349194912.db2.gz ZVICHEMRFDMWMF-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000090539805 180000117 /nfs/dbraw/zinc/00/01/17/180000117.db2.gz VEMGSAYGNASGNZ-VIFPVBQESA-N 1 0 266.326 2.204 20 5 CEBDRO CC[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551202 180002647 /nfs/dbraw/zinc/00/26/47/180002647.db2.gz XICIHHAMAOTMNK-HNNXBMFYSA-N 1 0 293.367 2.269 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)C1 ZINC000090588958 180009890 /nfs/dbraw/zinc/00/98/90/180009890.db2.gz VFOYBVPPGQSUES-QWHCGFSZSA-N 1 0 293.367 2.125 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774131 180038859 /nfs/dbraw/zinc/03/88/59/180038859.db2.gz XQKSTVAMQVAVBC-ZYHUDNBSSA-N 1 0 280.324 2.433 20 5 CEBDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090880823 180053109 /nfs/dbraw/zinc/05/31/09/180053109.db2.gz CZPGZDWZDPMRNI-GFCCVEGCSA-N 1 0 293.367 2.408 20 5 CEBDRO Cn1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000091008705 180086202 /nfs/dbraw/zinc/08/62/02/180086202.db2.gz UROCZTXYMXTBQT-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000068905893 362950489 /nfs/dbraw/zinc/95/04/89/362950489.db2.gz BZJCWVYNWHBVOT-UHFFFAOYSA-N 1 0 295.339 2.182 20 5 CEBDRO CCc1nn(C)c(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000091561890 180192329 /nfs/dbraw/zinc/19/23/29/180192329.db2.gz QGKWVYOFEZCELX-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000106366018 186110541 /nfs/dbraw/zinc/11/05/41/186110541.db2.gz XJWGYGPQDYWJGX-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H](C)O ZINC000352209862 219363320 /nfs/dbraw/zinc/36/33/20/219363320.db2.gz DAAKCONTFHVLLC-SNVBAGLBSA-N 1 0 252.314 2.106 20 5 CEBDRO CCOCC[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000107679000 186184386 /nfs/dbraw/zinc/18/43/86/186184386.db2.gz ZEETYSAVTBCWKX-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO C[N@H+](CC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109131036 186244283 /nfs/dbraw/zinc/24/42/83/186244283.db2.gz QNQJIDDTJHBYPT-CQSZACIVSA-N 1 0 289.335 2.042 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000110846090 186328359 /nfs/dbraw/zinc/32/83/59/186328359.db2.gz IDFFBKUOTIOGBT-CYBMUJFWSA-N 1 0 292.335 2.180 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000337014914 365985204 /nfs/dbraw/zinc/98/52/04/365985204.db2.gz KIXQAGJILWLHHH-NSHDSACASA-N 1 0 298.412 2.396 20 5 CEBDRO CCC[C@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018664 186345193 /nfs/dbraw/zinc/34/51/93/186345193.db2.gz URWVKBMRHJBSTL-JSGCOSHPSA-N 1 0 291.351 2.304 20 5 CEBDRO Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000070187891 363049757 /nfs/dbraw/zinc/04/97/57/363049757.db2.gz STEBHVJJASNMST-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178239 363048252 /nfs/dbraw/zinc/04/82/52/363048252.db2.gz AIEVMVZQFZPFSC-IUODEOHRSA-N 1 0 277.368 2.197 20 5 CEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000120782691 186925042 /nfs/dbraw/zinc/92/50/42/186925042.db2.gz WZIIXOHJDRFCQI-UHFFFAOYSA-N 1 0 297.355 2.382 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496235 363091448 /nfs/dbraw/zinc/09/14/48/363091448.db2.gz IFCWSBMLUODIMI-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC1 ZINC000271446951 191142197 /nfs/dbraw/zinc/14/21/97/191142197.db2.gz HOZVXOPNYCJDLG-SNVBAGLBSA-N 1 0 277.324 2.454 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122319017 187026353 /nfs/dbraw/zinc/02/63/53/187026353.db2.gz VIRKPLISKMVXNQ-WCQYABFASA-N 1 0 275.352 2.310 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000124223514 187127677 /nfs/dbraw/zinc/12/76/77/187127677.db2.gz NUDHSGYPHZUAGV-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000123443743 187092492 /nfs/dbraw/zinc/09/24/92/187092492.db2.gz UBBILADABXMWBH-NXEZZACHSA-N 1 0 297.380 2.211 20 5 CEBDRO CCC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000291961390 198118143 /nfs/dbraw/zinc/11/81/43/198118143.db2.gz RHOYJRAHSMEABI-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000292039097 198142396 /nfs/dbraw/zinc/14/23/96/198142396.db2.gz HWINMWMTPDWGGU-VMPCVLLUSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000073000359 363191152 /nfs/dbraw/zinc/19/11/52/363191152.db2.gz RDKYFZRYGQYACK-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000292124567 198172951 /nfs/dbraw/zinc/17/29/51/198172951.db2.gz QUNKHKLMPFUCNE-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO COc1cc(NCC(C)(C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000134868200 187776509 /nfs/dbraw/zinc/77/65/09/187776509.db2.gz NXNNDLRIVNUUMD-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO COCC(C)(C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000292135411 198177199 /nfs/dbraw/zinc/17/71/99/198177199.db2.gz LVBKHNYPMNOISX-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000292447990 198292917 /nfs/dbraw/zinc/29/29/17/198292917.db2.gz PDUNTWPDOIIZQL-GWCFXTLKSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]1OCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000156162873 188245680 /nfs/dbraw/zinc/24/56/80/188245680.db2.gz ZYDFNDOPJBJTHO-STQMWFEESA-N 1 0 294.351 2.473 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000157317012 188309705 /nfs/dbraw/zinc/30/97/05/188309705.db2.gz UXGBZKQPQNRSAC-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157568149 188325322 /nfs/dbraw/zinc/32/53/22/188325322.db2.gz CMVUPDFJWQVEOP-LBPRGKRZSA-N 1 0 293.367 2.360 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000132718253 366167004 /nfs/dbraw/zinc/16/70/04/366167004.db2.gz VJFPGEWDXHNPCP-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132842118 366174325 /nfs/dbraw/zinc/17/43/25/366174325.db2.gz RACKIDZIQQEQTL-LLVKDONJSA-N 1 0 299.758 2.496 20 5 CEBDRO COC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553189 283032354 /nfs/dbraw/zinc/03/23/54/283032354.db2.gz XUEZWOBYFSAOJZ-CYBMUJFWSA-N 1 0 292.335 2.337 20 5 CEBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074726003 363376933 /nfs/dbraw/zinc/37/69/33/363376933.db2.gz CURRMMCMRVNVKE-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074741413 363380221 /nfs/dbraw/zinc/38/02/21/363380221.db2.gz JGKMUQWJDHXCKM-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000074772783 363388325 /nfs/dbraw/zinc/38/83/25/363388325.db2.gz JSFVULGMNNWWSM-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO COC[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000272648135 191844570 /nfs/dbraw/zinc/84/45/70/191844570.db2.gz DUIYFCPDZHXXPK-JSGCOSHPSA-N 1 0 296.367 2.167 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795938 291079589 /nfs/dbraw/zinc/07/95/89/291079589.db2.gz RHNVHWUFJVZBMA-ZYHUDNBSSA-N 1 0 293.323 2.004 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452069668 283176590 /nfs/dbraw/zinc/17/65/90/283176590.db2.gz QJJVSPVYBMPBLT-WOPDTQHZSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338357283 366313888 /nfs/dbraw/zinc/31/38/88/366313888.db2.gz YOEOKZMZETYHCH-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414475480 236375383 /nfs/dbraw/zinc/37/53/83/236375383.db2.gz HHCHJQWCVSGHES-AWEZNQCLSA-N 1 0 282.315 2.464 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000135204421 366408575 /nfs/dbraw/zinc/40/85/75/366408575.db2.gz NRSYDGWZRAQUFK-CMPLNLGQSA-N 1 0 250.298 2.109 20 5 CEBDRO C[S@@](=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865534 366408660 /nfs/dbraw/zinc/40/86/60/366408660.db2.gz FAMHXAAAYHTZTK-MPBGBICISA-N 1 0 294.376 2.083 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306391 366424402 /nfs/dbraw/zinc/42/44/02/366424402.db2.gz IZMKUGBVANWGCM-OUJBWJOFSA-N 1 0 250.298 2.423 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667162 540408469 /nfs/dbraw/zinc/40/84/69/540408469.db2.gz DNMPIYFUUWYAGX-WCQYABFASA-N 1 0 294.351 2.244 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000338768703 366512493 /nfs/dbraw/zinc/51/24/93/366512493.db2.gz VLKUEFJNIXVPSG-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000079737632 363626467 /nfs/dbraw/zinc/62/64/67/363626467.db2.gz UIRADQDRPYASOF-GFCCVEGCSA-N 1 0 252.314 2.418 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000079743118 363626541 /nfs/dbraw/zinc/62/65/41/363626541.db2.gz CMFISACTGWEKGF-LLVKDONJSA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577109 216018884 /nfs/dbraw/zinc/01/88/84/216018884.db2.gz BSZXMKYYOVCTIW-GFCCVEGCSA-N 1 0 279.340 2.021 20 5 CEBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257933 366633748 /nfs/dbraw/zinc/63/37/48/366633748.db2.gz IYALZCBCRBRYEK-GXFFZTMASA-N 1 0 290.323 2.298 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177466832 189053436 /nfs/dbraw/zinc/05/34/36/189053436.db2.gz VXOYAOZHSIVRNY-WDEREUQCSA-N 1 0 297.380 2.259 20 5 CEBDRO COCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000081713528 363737694 /nfs/dbraw/zinc/73/76/94/363737694.db2.gz YGCVKGXSIOFLBA-SNVBAGLBSA-N 1 0 268.313 2.118 20 5 CEBDRO CC(C)([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178267397 189102004 /nfs/dbraw/zinc/10/20/04/189102004.db2.gz GLRHATYTCUXLLY-UHFFFAOYSA-N 1 0 293.348 2.277 20 5 CEBDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656544 189135178 /nfs/dbraw/zinc/13/51/78/189135178.db2.gz ZGMLIVUYNPDDRV-RISCZKNCSA-N 1 0 291.351 2.255 20 5 CEBDRO COC[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179368144 189189752 /nfs/dbraw/zinc/18/97/52/189189752.db2.gz FISLKDOILWFMGV-NSHDSACASA-N 1 0 252.314 2.370 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000272314826 296025459 /nfs/dbraw/zinc/02/54/59/296025459.db2.gz SGGGGBBBBXPGNZ-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000180587461 189263635 /nfs/dbraw/zinc/26/36/35/189263635.db2.gz LSSNFRPAGBVLSL-UHFFFAOYSA-N 1 0 292.339 2.073 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000181488521 189297975 /nfs/dbraw/zinc/29/79/75/189297975.db2.gz WXTAIJFPDDGCAS-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181762170 189306218 /nfs/dbraw/zinc/30/62/18/189306218.db2.gz XMZWYQNQNLIQEE-ZDUSSCGKSA-N 1 0 294.351 2.209 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237036947 370681940 /nfs/dbraw/zinc/68/19/40/370681940.db2.gz VYKGSZIZHPFMFV-LBPRGKRZSA-N 1 0 299.758 2.334 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301698667 201147152 /nfs/dbraw/zinc/14/71/52/201147152.db2.gz CISKAQWOANHXMK-ZDUSSCGKSA-N 1 0 291.351 2.260 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301974540 201282626 /nfs/dbraw/zinc/28/26/26/201282626.db2.gz AYEIQNSKSOIVGL-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO Cc1ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000087515176 363858935 /nfs/dbraw/zinc/85/89/35/363858935.db2.gz VFRYFGZPRLLETH-LLVKDONJSA-N 1 0 265.313 2.073 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089106953 363931126 /nfs/dbraw/zinc/93/11/26/363931126.db2.gz WUZPCEUCIUTAJT-BXUZGUMPSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+](C)C1CC1 ZINC000092649564 364094129 /nfs/dbraw/zinc/09/41/29/364094129.db2.gz UYRWPJQJPRKXTR-JTQLQIEISA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000093986643 364244697 /nfs/dbraw/zinc/24/46/97/364244697.db2.gz RTQJRFMHWZCOQV-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000093985994 364244997 /nfs/dbraw/zinc/24/49/97/364244997.db2.gz NJQPISBRTPWCJV-QWHCGFSZSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000103481484 364659939 /nfs/dbraw/zinc/65/99/39/364659939.db2.gz ZASYTKYAVSCNJS-LBPRGKRZSA-N 1 0 293.342 2.404 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000103115642 364628003 /nfs/dbraw/zinc/62/80/03/364628003.db2.gz RBRCHMJIXWCUBS-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO COC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112985468 364862847 /nfs/dbraw/zinc/86/28/47/364862847.db2.gz YPYQXAAIZAMKJR-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1c(CN2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000113512959 364901626 /nfs/dbraw/zinc/90/16/26/364901626.db2.gz UXUKLGKDKURCOJ-ZDUSSCGKSA-N 1 0 277.368 2.287 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(CO)CC1 ZINC000275380426 193015060 /nfs/dbraw/zinc/01/50/60/193015060.db2.gz AYNDSYZRWIJLMM-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO CCn1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000119079380 365211977 /nfs/dbraw/zinc/21/19/77/365211977.db2.gz MYOQXXFVJATDBF-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000356793111 370795755 /nfs/dbraw/zinc/79/57/55/370795755.db2.gz KBLCBLQAVPQFMF-NXEZZACHSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@H](SCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120229549 365392074 /nfs/dbraw/zinc/39/20/74/365392074.db2.gz HZOHHBOBCNAMRE-JTQLQIEISA-N 1 0 297.380 2.217 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275765537 193122656 /nfs/dbraw/zinc/12/26/56/193122656.db2.gz AGHRJPCHIJQYDO-JOCQHMNTSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120547877 365440831 /nfs/dbraw/zinc/44/08/31/365440831.db2.gz GGWRXEQLWXGBNW-CYBMUJFWSA-N 1 0 291.351 2.133 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159751330 366944429 /nfs/dbraw/zinc/94/44/29/366944429.db2.gz IOVVWMFXELHFLP-JSGCOSHPSA-N 1 0 264.325 2.188 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340866142 367065223 /nfs/dbraw/zinc/06/52/23/367065223.db2.gz YJCYBGIOMSAHDI-UHFFFAOYSA-N 1 0 297.403 2.288 20 5 CEBDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000340938770 367100234 /nfs/dbraw/zinc/10/02/34/367100234.db2.gz KFWOZBDUMLMZGJ-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@@H](O)[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000161728040 367109112 /nfs/dbraw/zinc/10/91/12/367109112.db2.gz FXFOQGJODYQLKY-MWLCHTKSSA-N 1 0 284.743 2.451 20 5 CEBDRO CN(C)CC[N@H+](C)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000341051935 367150298 /nfs/dbraw/zinc/15/02/98/367150298.db2.gz WBBAJPNBTGJREO-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000341132930 367187622 /nfs/dbraw/zinc/18/76/22/367187622.db2.gz WFNPYWXWJRMGDW-SNVBAGLBSA-N 1 0 283.376 2.169 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000590569922 367198157 /nfs/dbraw/zinc/19/81/57/367198157.db2.gz UWZKMUGEVHQKDW-ONGXEEELSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343452733 367824609 /nfs/dbraw/zinc/82/46/09/367824609.db2.gz ORRGJICCQFNDQY-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345136 367898779 /nfs/dbraw/zinc/89/87/79/367898779.db2.gz CJFXJWQURPMQSZ-OIBJUYFYSA-N 1 0 278.230 2.169 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000176191679 368209868 /nfs/dbraw/zinc/20/98/68/368209868.db2.gz NLKMVVWOQPRNRP-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cc[nH]n1)C1CC1 ZINC000177954701 368285134 /nfs/dbraw/zinc/28/51/34/368285134.db2.gz JPDJLONMPZVIRK-CQSZACIVSA-N 1 0 286.335 2.429 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000275971345 193177083 /nfs/dbraw/zinc/17/70/83/193177083.db2.gz LSXQEDSGNYXHDJ-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182193743 368532414 /nfs/dbraw/zinc/53/24/14/368532414.db2.gz DDVQIJNVDMZOQI-CYBMUJFWSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209396 368535269 /nfs/dbraw/zinc/53/52/69/368535269.db2.gz XZIXCDPSYVNMOU-YPMHNXCESA-N 1 0 294.351 2.065 20 5 CEBDRO COC(C)(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346515632 368700590 /nfs/dbraw/zinc/70/05/90/368700590.db2.gz BWWBHODDBUIYOH-UHFFFAOYSA-N 1 0 279.340 2.163 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184198451 368679494 /nfs/dbraw/zinc/67/94/94/368679494.db2.gz WOIVZAWNABRESX-UHFFFAOYSA-N 1 0 286.303 2.257 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346662413 368758819 /nfs/dbraw/zinc/75/88/19/368758819.db2.gz BVWPLVLAMOZFOD-NWDGAFQWSA-N 1 0 293.367 2.163 20 5 CEBDRO CSC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000348360913 369018052 /nfs/dbraw/zinc/01/80/52/369018052.db2.gz BKRGJRLEXPRQED-UHFFFAOYSA-N 1 0 292.364 2.456 20 5 CEBDRO Cc1c(CN(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186791599 369044675 /nfs/dbraw/zinc/04/46/75/369044675.db2.gz UIXDXQBUVMKLAH-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO CC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186898732 369064762 /nfs/dbraw/zinc/06/47/62/369064762.db2.gz NXRPOQRIENMGMH-UHFFFAOYSA-N 1 0 264.325 2.189 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000348554377 369087691 /nfs/dbraw/zinc/08/76/91/369087691.db2.gz YBBFOXVAILUWCX-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCOC1 ZINC000348665949 369115803 /nfs/dbraw/zinc/11/58/03/369115803.db2.gz AQCDAOXSAVITMS-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349333776 369300361 /nfs/dbraw/zinc/30/03/61/369300361.db2.gz RKEFJGDSKDAUPV-NSHDSACASA-N 1 0 292.257 2.306 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000349850601 369422775 /nfs/dbraw/zinc/42/27/75/369422775.db2.gz LWPZDMRCHHUOAV-ZZKXABKFSA-N 1 0 250.298 2.012 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000188958422 369435312 /nfs/dbraw/zinc/43/53/12/369435312.db2.gz AYAKWZPUDOOKSA-GQCTYLIASA-N 1 0 276.336 2.312 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189314261 369495788 /nfs/dbraw/zinc/49/57/88/369495788.db2.gz QAHFCOZSGOEMBF-KCJUWKMLSA-N 1 0 297.742 2.119 20 5 CEBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000189449723 369519197 /nfs/dbraw/zinc/51/91/97/369519197.db2.gz PSVUEPABVFNMKW-LLVKDONJSA-N 1 0 292.257 2.340 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189657366 369554522 /nfs/dbraw/zinc/55/45/22/369554522.db2.gz IZCONUXESURAJT-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000276448656 193335081 /nfs/dbraw/zinc/33/50/81/193335081.db2.gz TUDXGKMRPQDIQB-NSHDSACASA-N 1 0 294.355 2.283 20 5 CEBDRO CN(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522030 193365923 /nfs/dbraw/zinc/36/59/23/193365923.db2.gz VJUINYMANZLHBX-HIFRSBDPSA-N 1 0 291.395 2.457 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192463819 369816717 /nfs/dbraw/zinc/81/67/17/369816717.db2.gz LUVCGCWYJSNYRU-ZJUUUORDSA-N 1 0 284.385 2.218 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192724373 369846171 /nfs/dbraw/zinc/84/61/71/369846171.db2.gz ZQWWANXWVHSXJG-YGRLFVJLSA-N 1 0 264.325 2.190 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000193581605 369958398 /nfs/dbraw/zinc/95/83/98/369958398.db2.gz YOMYHAQADQAHFZ-KCJUWKMLSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000352883120 369929660 /nfs/dbraw/zinc/92/96/60/369929660.db2.gz JAICDSKLKPGRMG-QRVQBPJGSA-N 1 0 296.392 2.326 20 5 CEBDRO COCC[C@@H](COC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353129855 370031500 /nfs/dbraw/zinc/03/15/00/370031500.db2.gz TZRLPKVDXBJGQE-VSKVDJIOSA-N 1 0 294.351 2.249 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353034687 369993750 /nfs/dbraw/zinc/99/37/50/369993750.db2.gz AVYJUURFECNEOW-QWRGUYRKSA-N 1 0 282.315 2.496 20 5 CEBDRO CC[N@H+](CCNc1nccc(C)c1[N+](=O)[O-])C1CC1 ZINC000227116070 370361371 /nfs/dbraw/zinc/36/13/71/370361371.db2.gz VKJQBWHLDPALBS-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251589737 371407138 /nfs/dbraw/zinc/40/71/38/371407138.db2.gz XJYCTZPWSKYUTA-VHRBIJSZSA-N 1 0 264.325 2.406 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000359222899 371382815 /nfs/dbraw/zinc/38/28/15/371382815.db2.gz KKSKPGHWPDNQRW-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252544389 371455368 /nfs/dbraw/zinc/45/53/68/371455368.db2.gz IEEVRBFIAPPNEM-STQMWFEESA-N 1 0 291.351 2.178 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000361047417 371619848 /nfs/dbraw/zinc/61/98/48/371619848.db2.gz XPDNCQIZLCPEDQ-BXKDBHETSA-N 1 0 293.371 2.014 20 5 CEBDRO C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261550500 371643852 /nfs/dbraw/zinc/64/38/52/371643852.db2.gz OFBLGCWHFRFDHA-KOLCDFICSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261726045 371712013 /nfs/dbraw/zinc/71/20/13/371712013.db2.gz KSOBUJSIVDNABA-YRGRVCCFSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000344047182 217027957 /nfs/dbraw/zinc/02/79/57/217027957.db2.gz YRMPTPNCCWWLSH-GFCCVEGCSA-N 1 0 293.367 2.125 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CC2CC2)C2CCC2)n1 ZINC000361582592 371948148 /nfs/dbraw/zinc/94/81/48/371948148.db2.gz JXGCGRDCIXYOIS-UHFFFAOYSA-N 1 0 264.329 2.056 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)C)CC1 ZINC000266064824 372034629 /nfs/dbraw/zinc/03/46/29/372034629.db2.gz ZSLNCGFAFORURZ-UHFFFAOYSA-N 1 0 293.367 2.272 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880950 372269842 /nfs/dbraw/zinc/26/98/42/372269842.db2.gz XPHLTNFRNAXWDG-KCJUWKMLSA-N 1 0 292.257 2.477 20 5 CEBDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000269098100 372340629 /nfs/dbraw/zinc/34/06/29/372340629.db2.gz NTCCYAFOYNLMSP-AWEZNQCLSA-N 1 0 293.367 2.139 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099555 372341308 /nfs/dbraw/zinc/34/13/08/372341308.db2.gz TUHPNFTWPGFXLE-GXFFZTMASA-N 1 0 279.340 2.160 20 5 CEBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000269163881 372361884 /nfs/dbraw/zinc/36/18/84/372361884.db2.gz ZFMGNTAQOSVQID-UHFFFAOYSA-N 1 0 299.758 2.142 20 5 CEBDRO C[C@@H]1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621831 372507687 /nfs/dbraw/zinc/50/76/87/372507687.db2.gz BAMNGDSHPUGZJQ-GYSYKLTISA-N 1 0 264.325 2.216 20 5 CEBDRO Cc1sc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237698632 189888032 /nfs/dbraw/zinc/88/80/32/189888032.db2.gz AJUSPVYJCOAUCJ-SNVBAGLBSA-N 1 0 297.380 2.084 20 5 CEBDRO COc1cc(C[NH2+]C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1O ZINC000344409285 217184903 /nfs/dbraw/zinc/18/49/03/217184903.db2.gz LTXPAEYFMUAIFS-SNVBAGLBSA-N 1 0 280.324 2.445 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000269720822 372546482 /nfs/dbraw/zinc/54/64/82/372546482.db2.gz UKSRJUOJJUXYQQ-AAEUAGOBSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270104924 372667250 /nfs/dbraw/zinc/66/72/50/372667250.db2.gz LRJVKJBYNQAVKX-DZGCQCFKSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364335519 372730084 /nfs/dbraw/zinc/73/00/84/372730084.db2.gz GTDVGPSVLIYZAS-LLVKDONJSA-N 1 0 296.758 2.318 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000270220015 372707475 /nfs/dbraw/zinc/70/74/75/372707475.db2.gz YYRKVCQYDWVDIP-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000353419243 220074351 /nfs/dbraw/zinc/07/43/51/220074351.db2.gz BOWIUSPMQLMXOY-RYWCDNDXSA-N 1 0 262.309 2.329 20 5 CEBDRO CC(C)CCC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000270483735 372807394 /nfs/dbraw/zinc/80/73/94/372807394.db2.gz RHAGCACYBGELIA-HUUCEWRRSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000365520795 372881243 /nfs/dbraw/zinc/88/12/43/372881243.db2.gz ZQVRUYDOOUIWNZ-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000365622319 372906100 /nfs/dbraw/zinc/90/61/00/372906100.db2.gz FBSHRXWEUPPDDJ-UHFFFAOYSA-N 1 0 289.335 2.212 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270859379 372986010 /nfs/dbraw/zinc/98/60/10/372986010.db2.gz HXPWGTNZKBRJPC-SMDDNHRTSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000344779274 217309468 /nfs/dbraw/zinc/30/94/68/217309468.db2.gz XSUYEOFZOYSWRS-BXKDBHETSA-N 1 0 288.294 2.132 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000367655509 373178328 /nfs/dbraw/zinc/17/83/28/373178328.db2.gz DCQNIERNYJXNRD-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH2+]C ZINC000289699299 197450935 /nfs/dbraw/zinc/45/09/35/197450935.db2.gz HAJZWTZHJUHUPH-UHFFFAOYSA-N 1 0 294.355 2.277 20 5 CEBDRO Cn1cncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272343690 373439750 /nfs/dbraw/zinc/43/97/50/373439750.db2.gz UBRWCQHWENPPKS-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@@H](O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555920 373548926 /nfs/dbraw/zinc/54/89/26/373548926.db2.gz SEWZVZGVDFHKLP-FAQJLRJSSA-N 1 0 276.336 2.311 20 5 CEBDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961313 373734783 /nfs/dbraw/zinc/73/47/83/373734783.db2.gz SMCZYRIPSDJOCJ-STQMWFEESA-N 1 0 296.367 2.311 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000371401424 373870279 /nfs/dbraw/zinc/87/02/79/373870279.db2.gz OUGQBLVLGHTPCZ-AAEUAGOBSA-N 1 0 298.364 2.084 20 5 CEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000274478894 373937008 /nfs/dbraw/zinc/93/70/08/373937008.db2.gz NUQJSXOTVXCEAC-ZDUSSCGKSA-N 1 0 292.383 2.033 20 5 CEBDRO Cc1ccc(C[NH2+]CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274749253 374036867 /nfs/dbraw/zinc/03/68/67/374036867.db2.gz MAFIIOCIADOYDA-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)C2CCC2)cc1 ZINC000275922367 374220458 /nfs/dbraw/zinc/22/04/58/374220458.db2.gz ZPGSBVDBEVJZSB-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374412066 374566995 /nfs/dbraw/zinc/56/69/95/374566995.db2.gz PPGXYOVQXACGCC-TZMCWYRMSA-N 1 0 276.336 2.453 20 5 CEBDRO C[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278461783 374824637 /nfs/dbraw/zinc/82/46/37/374824637.db2.gz SSFWLDHRCFEJIM-UHFFFAOYSA-N 1 0 276.340 2.069 20 5 CEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377716681 374932470 /nfs/dbraw/zinc/93/24/70/374932470.db2.gz COPYNHOGYDCZQU-OAHLLOKOSA-N 1 0 278.352 2.435 20 5 CEBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381825843 375180059 /nfs/dbraw/zinc/18/00/59/375180059.db2.gz WVSZUWSAUNEIED-NTSWFWBYSA-N 1 0 278.234 2.156 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000408464802 375488443 /nfs/dbraw/zinc/48/84/43/375488443.db2.gz FTUBZRASCVIVHY-ZJUUUORDSA-N 1 0 282.319 2.048 20 5 CEBDRO Cc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000414655851 375903997 /nfs/dbraw/zinc/90/39/97/375903997.db2.gz HQHFHGIPTKWBBL-UHFFFAOYSA-N 1 0 292.339 2.295 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286915663 376100971 /nfs/dbraw/zinc/10/09/71/376100971.db2.gz KMZZFPPRPYGQBX-UHFFFAOYSA-N 1 0 295.368 2.352 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286743447 376052948 /nfs/dbraw/zinc/05/29/48/376052948.db2.gz FEPNKVOXYJJANX-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000286761606 376056897 /nfs/dbraw/zinc/05/68/97/376056897.db2.gz ZJHCDPTWEYZSOE-ZIAGYGMSSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287420946 376228697 /nfs/dbraw/zinc/22/86/97/376228697.db2.gz SFIRUENLHWUMQV-LBPRGKRZSA-N 1 0 296.367 2.341 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCCC2)c(F)c1 ZINC000289701648 376453517 /nfs/dbraw/zinc/45/35/17/376453517.db2.gz YATFMJLFSHYIKA-CQSZACIVSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420238357 376646403 /nfs/dbraw/zinc/64/64/03/376646403.db2.gz KZDVZGUJFOOHLS-LLVKDONJSA-N 1 0 286.335 2.250 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311778147 376686526 /nfs/dbraw/zinc/68/65/26/376686526.db2.gz WXTRCUDRKRXRKM-UHFFFAOYSA-N 1 0 270.304 2.375 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000420632978 376700060 /nfs/dbraw/zinc/70/00/60/376700060.db2.gz YDNDWXVGEUSUDU-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000290513345 376814163 /nfs/dbraw/zinc/81/41/63/376814163.db2.gz GTHXQCDBTPHLPI-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO C[C@@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290732612 376900979 /nfs/dbraw/zinc/90/09/79/376900979.db2.gz GCNWCOVOOMCKEE-KOLCDFICSA-N 1 0 276.340 2.214 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422900012 376859118 /nfs/dbraw/zinc/85/91/18/376859118.db2.gz IQVUQJUTQIJOFR-ZDUSSCGKSA-N 1 0 293.367 2.079 20 5 CEBDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017028 376931265 /nfs/dbraw/zinc/93/12/65/376931265.db2.gz NUJQJKYBSOASLB-NQBHXWOUSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264699105 190129563 /nfs/dbraw/zinc/12/95/63/190129563.db2.gz NGEACQVQQPBSLF-AWEZNQCLSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291150271 377091825 /nfs/dbraw/zinc/09/18/25/377091825.db2.gz DPCXRWKLNHSIMW-GFCCVEGCSA-N 1 0 282.340 2.330 20 5 CEBDRO CCC[C@H](NCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423225350 377140405 /nfs/dbraw/zinc/14/04/05/377140405.db2.gz MKXWXCRTIBAUBV-ZDUSSCGKSA-N 1 0 251.330 2.245 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423245888 377166716 /nfs/dbraw/zinc/16/67/16/377166716.db2.gz YXGLDKCDBUFBFR-WFASDCNBSA-N 1 0 275.352 2.314 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419261 377219154 /nfs/dbraw/zinc/21/91/54/377219154.db2.gz SLJPROUNOMTRRZ-GWCFXTLKSA-N 1 0 264.325 2.454 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CC1 ZINC000563427707 377222945 /nfs/dbraw/zinc/22/29/45/377222945.db2.gz SHFLRYLCOFQABZ-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182687 377317521 /nfs/dbraw/zinc/31/75/21/377317521.db2.gz RUQYIRVKJXFUSB-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(CN2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331191785 377321752 /nfs/dbraw/zinc/32/17/52/377321752.db2.gz WGHNLASNTQNGBJ-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075345 377270520 /nfs/dbraw/zinc/27/05/20/377270520.db2.gz UWBQWKPJSGFJIV-GHMZBOCLSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807130 377292005 /nfs/dbraw/zinc/29/20/05/377292005.db2.gz OGYRKAKJYBZMTG-INIZCTEOSA-N 1 0 289.379 2.431 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425551295 377371541 /nfs/dbraw/zinc/37/15/41/377371541.db2.gz QJKHPTWHSPIMEG-QWRGUYRKSA-N 1 0 287.323 2.263 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884857 377461029 /nfs/dbraw/zinc/46/10/29/377461029.db2.gz JOSUVDBDQMJZDI-WCQYABFASA-N 1 0 286.335 2.457 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000293323515 377520076 /nfs/dbraw/zinc/52/00/76/377520076.db2.gz RFZVEINHORQENF-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000332078224 377511484 /nfs/dbraw/zinc/51/14/84/377511484.db2.gz HEUIJIZDGMHPGA-GFCCVEGCSA-N 1 0 288.307 2.276 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000265664176 190198221 /nfs/dbraw/zinc/19/82/21/190198221.db2.gz DGPKTRKOQCGQCB-DYLGSBMWSA-N 1 0 296.392 2.312 20 5 CEBDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313263296 249392664 /nfs/dbraw/zinc/39/26/64/249392664.db2.gz LSDWZXXOKUJWDP-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000265803881 190208335 /nfs/dbraw/zinc/20/83/35/190208335.db2.gz OLFASGDNNIBSSG-GFCCVEGCSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293616363 377658393 /nfs/dbraw/zinc/65/83/93/377658393.db2.gz JKNYLKMGGVEFAV-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293684124 377698237 /nfs/dbraw/zinc/69/82/37/377698237.db2.gz NIFRIHLRGXYWPY-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[NH+](CC)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000432127358 377720966 /nfs/dbraw/zinc/72/09/66/377720966.db2.gz RXFAHZIEHWEXQA-UHFFFAOYSA-N 1 0 285.319 2.496 20 5 CEBDRO CCc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293703855 377711855 /nfs/dbraw/zinc/71/18/55/377711855.db2.gz QLGFHKNTGZNPJN-UHFFFAOYSA-N 1 0 293.367 2.405 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678545 378007745 /nfs/dbraw/zinc/00/77/45/378007745.db2.gz IBKFBTHELMSQAJ-GXFFZTMASA-N 1 0 281.356 2.235 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCC2)n1 ZINC000447579886 378121166 /nfs/dbraw/zinc/12/11/66/378121166.db2.gz MFDRQIMNKYXMCB-RYUDHWBXSA-N 1 0 264.329 2.417 20 5 CEBDRO CC[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278297485 193904387 /nfs/dbraw/zinc/90/43/87/193904387.db2.gz GMZFOIYGUNZCAL-UHFFFAOYSA-N 1 0 290.367 2.459 20 5 CEBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000295314264 378099597 /nfs/dbraw/zinc/09/95/97/378099597.db2.gz LKGSLHDGKSEWQC-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000450282348 378339635 /nfs/dbraw/zinc/33/96/35/378339635.db2.gz HDNLRVOXZIZRTO-HNNXBMFYSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000266082814 190229088 /nfs/dbraw/zinc/22/90/88/190229088.db2.gz YIXMEHJQSPIZRN-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000296047140 378402531 /nfs/dbraw/zinc/40/25/31/378402531.db2.gz QFDXMBVJJAKDEX-SNVBAGLBSA-N 1 0 296.346 2.237 20 5 CEBDRO CC[C@@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296173403 378440786 /nfs/dbraw/zinc/44/07/86/378440786.db2.gz ZAEYQBDWWBWULZ-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000450773224 378571299 /nfs/dbraw/zinc/57/12/99/378571299.db2.gz APICITXIVNXJAB-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](C2CCC2)CC1 ZINC000450880109 378627793 /nfs/dbraw/zinc/62/77/93/378627793.db2.gz WHVLLMPKDLIGKP-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296690622 378618711 /nfs/dbraw/zinc/61/87/11/378618711.db2.gz JROKZVGCSHLKQK-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000298494713 378744970 /nfs/dbraw/zinc/74/49/70/378744970.db2.gz QDXBPHGDHCOMEE-UHFFFAOYSA-N 1 0 289.379 2.354 20 5 CEBDRO CC(C)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993918 218082612 /nfs/dbraw/zinc/08/26/12/218082612.db2.gz AYLTXFNGICCROJ-ZDUSSCGKSA-N 1 0 277.368 2.499 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000453595715 378916129 /nfs/dbraw/zinc/91/61/29/378916129.db2.gz KODMUJKBYKRJDU-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000278560951 194044545 /nfs/dbraw/zinc/04/45/45/194044545.db2.gz CKILNTYOENXGRH-GJZGRUSLSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106430 218122648 /nfs/dbraw/zinc/12/26/48/218122648.db2.gz LULYDYFHPAAHGP-DGCLKSJQSA-N 1 0 263.341 2.072 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347064368 218109938 /nfs/dbraw/zinc/10/99/38/218109938.db2.gz JVHIWQBQIKIDPM-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000278881378 194194966 /nfs/dbraw/zinc/19/49/66/194194966.db2.gz ZOIWWYUIISAMFP-JTQLQIEISA-N 1 0 290.241 2.492 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000301293816 379249869 /nfs/dbraw/zinc/24/98/69/379249869.db2.gz OKBYWKAAPIUXSQ-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000518533278 379391954 /nfs/dbraw/zinc/39/19/54/379391954.db2.gz SKEPELKGKYVHGU-ZJUUUORDSA-N 1 0 280.328 2.151 20 5 CEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304063018 379518311 /nfs/dbraw/zinc/51/83/11/379518311.db2.gz RFKPPPILIJQAKE-SMDDNHRTSA-N 1 0 266.341 2.482 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)O ZINC000267068618 190300998 /nfs/dbraw/zinc/30/09/98/190300998.db2.gz VHACSTQAROMRFA-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457016966 379628069 /nfs/dbraw/zinc/62/80/69/379628069.db2.gz CBOYJRPVRLDFMK-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000305151761 379662142 /nfs/dbraw/zinc/66/21/42/379662142.db2.gz AJNFTYQFYBNPLU-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457370920 379768015 /nfs/dbraw/zinc/76/80/15/379768015.db2.gz GNJFDADNHBNLNF-AWEZNQCLSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458195318 380037939 /nfs/dbraw/zinc/03/79/39/380037939.db2.gz QZBJXBYTXDLBRJ-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488758631 380133780 /nfs/dbraw/zinc/13/37/80/380133780.db2.gz APZGRFHYJLAACZ-OAHLLOKOSA-N 1 0 290.367 2.139 20 5 CEBDRO COCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489391850 380183200 /nfs/dbraw/zinc/18/32/00/380183200.db2.gz ATIKMRBNXLODIP-JSGCOSHPSA-N 1 0 294.351 2.221 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555306158 380821184 /nfs/dbraw/zinc/82/11/84/380821184.db2.gz LICXOODHWNWGGJ-LBPRGKRZSA-N 1 0 293.367 2.155 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000279337498 194390270 /nfs/dbraw/zinc/39/02/70/194390270.db2.gz PLMGGOOBQBBSSS-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493594123 381077605 /nfs/dbraw/zinc/07/76/05/381077605.db2.gz RJWWYEOPPOJYJL-JXMROGBWSA-N 1 0 291.351 2.064 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000279355941 194398192 /nfs/dbraw/zinc/39/81/92/194398192.db2.gz VVUZPGQUKHDMAY-DZGCQCFKSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000092926590 184635656 /nfs/dbraw/zinc/63/56/56/184635656.db2.gz KJRNFPKGENHISJ-KWQFWETISA-N 1 0 274.280 2.110 20 5 CEBDRO COc1cc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000097934274 533026378 /nfs/dbraw/zinc/02/63/78/533026378.db2.gz KAKUFKMMYQUNGW-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349829391 218931862 /nfs/dbraw/zinc/93/18/62/218931862.db2.gz OVVNQWWXKIIAGI-MVZIDQBPSA-N 1 0 280.324 2.020 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289417313 197337445 /nfs/dbraw/zinc/33/74/45/197337445.db2.gz BTNJNEFBBFDOFG-ZDUSSCGKSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000350289608 219005224 /nfs/dbraw/zinc/00/52/24/219005224.db2.gz RLBBHEPBTLOBKY-ZDUSSCGKSA-N 1 0 268.288 2.250 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000289105077 197236501 /nfs/dbraw/zinc/23/65/01/197236501.db2.gz CLPWPAWLDDULLO-HAQNSBGRSA-N 1 0 291.351 2.090 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000288564890 197114111 /nfs/dbraw/zinc/11/41/11/197114111.db2.gz AUORZXBMOURGBW-RYUDHWBXSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCO ZINC000281618558 195310161 /nfs/dbraw/zinc/31/01/61/195310161.db2.gz HJDNUCCWQWSUHP-LLVKDONJSA-N 1 0 252.314 2.278 20 5 CEBDRO COC[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000358479280 285377612 /nfs/dbraw/zinc/37/76/12/285377612.db2.gz DIPCBESUHOBKSZ-ZDUSSCGKSA-N 1 0 296.367 2.469 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn[nH]c1 ZINC000283050255 195779570 /nfs/dbraw/zinc/77/95/70/195779570.db2.gz IWMAXBXPUSVPJI-MRVPVSSYSA-N 1 0 264.260 2.308 20 5 CEBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000190933331 533430287 /nfs/dbraw/zinc/43/02/87/533430287.db2.gz RPTNVSBBOGVSQD-VXGBXAGGSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000190663140 130131657 /nfs/dbraw/zinc/13/16/57/130131657.db2.gz ULDCPGVYTAXPKF-LLVKDONJSA-N 1 0 280.324 2.399 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193620221 130638379 /nfs/dbraw/zinc/63/83/79/130638379.db2.gz GKLHEHNWVDRZLF-ZWNOBZJWSA-N 1 0 291.351 2.028 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000230161297 130893931 /nfs/dbraw/zinc/89/39/31/130893931.db2.gz FYNIMZFPAMZTFF-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO [NH3+]CCCCCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237986011 131071308 /nfs/dbraw/zinc/07/13/08/131071308.db2.gz QBHMQSDMKKIBNN-UHFFFAOYSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1sc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057308208 394562904 /nfs/dbraw/zinc/56/29/04/394562904.db2.gz KQNGZJMDPNXWPC-SECBINFHSA-N 1 0 297.380 2.179 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668478 394572926 /nfs/dbraw/zinc/57/29/26/394572926.db2.gz XLTXXQPPXABYJT-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000048580188 394517403 /nfs/dbraw/zinc/51/74/03/394517403.db2.gz ATLAOQCXOWFSHT-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311689459 394538614 /nfs/dbraw/zinc/53/86/14/394538614.db2.gz KOHLXDTXIDKTGJ-UHFFFAOYSA-N 1 0 270.304 2.496 20 5 CEBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331133934 394627354 /nfs/dbraw/zinc/62/73/54/394627354.db2.gz RHNSPNWJRPTUNS-YPMHNXCESA-N 1 0 296.371 2.012 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000264187399 394635076 /nfs/dbraw/zinc/63/50/76/394635076.db2.gz NUGHKLDMYSCTFW-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000359101604 394741330 /nfs/dbraw/zinc/74/13/30/394741330.db2.gz RDVSAHUWLIFGQH-CYBMUJFWSA-N 1 0 288.351 2.057 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111829078 394741819 /nfs/dbraw/zinc/74/18/19/394741819.db2.gz PKNBAQXROAUHRY-GWJCSSMESA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000357049653 394693266 /nfs/dbraw/zinc/69/32/66/394693266.db2.gz YJTLMTGRAXFTHG-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO C[NH+](C)C1(CNc2ccncc2[N+](=O)[O-])CCCCCC1 ZINC000357053771 394694538 /nfs/dbraw/zinc/69/45/38/394694538.db2.gz RRPWUMQTGODYEB-UHFFFAOYSA-N 1 0 292.383 2.478 20 5 CEBDRO Cc1c(NC(=O)NC(C)(C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000422559210 394709881 /nfs/dbraw/zinc/70/98/81/394709881.db2.gz QPZWLTQQPVJMKF-UHFFFAOYSA-N 1 0 280.328 2.152 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104530094 394721120 /nfs/dbraw/zinc/72/11/20/394721120.db2.gz QOYNFLLWIGDVGU-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO [NH3+][C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414883858 394787910 /nfs/dbraw/zinc/78/79/10/394787910.db2.gz DSJQCQGMDWLJMT-GFCCVEGCSA-N 1 0 269.732 2.075 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000414928852 394808900 /nfs/dbraw/zinc/80/89/00/394808900.db2.gz NNOCHJWMXNDQCV-CQSZACIVSA-N 1 0 277.368 2.463 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414942920 394814294 /nfs/dbraw/zinc/81/42/94/394814294.db2.gz DTCYYZWANRUACU-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422847099 394826467 /nfs/dbraw/zinc/82/64/67/394826467.db2.gz HGJGQVJGZROKLJ-ZDUSSCGKSA-N 1 0 293.367 2.431 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC(C)(C)C1 ZINC000361468411 394830245 /nfs/dbraw/zinc/83/02/45/394830245.db2.gz GLSPTGMSDOXEAI-GFCCVEGCSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@H](C)O ZINC000278774159 394835106 /nfs/dbraw/zinc/83/51/06/394835106.db2.gz YMAKPQSCSBDOEO-NSHDSACASA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415013112 394849312 /nfs/dbraw/zinc/84/93/12/394849312.db2.gz KCADZWQGIPLYAO-SFYZADRCSA-N 1 0 257.721 2.074 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000415031272 394855047 /nfs/dbraw/zinc/85/50/47/394855047.db2.gz GDFYIMFWMZWMNL-VIKVFOODSA-N 1 0 299.330 2.162 20 5 CEBDRO CC(C)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415031635 394855877 /nfs/dbraw/zinc/85/58/77/394855877.db2.gz GMQQMDPMMQFDML-NHAGDIPZSA-N 1 0 275.352 2.026 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362379428 394858264 /nfs/dbraw/zinc/85/82/64/394858264.db2.gz RTCNKIMHHBUVIC-RYUDHWBXSA-N 1 0 291.351 2.348 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423409712 394917158 /nfs/dbraw/zinc/91/71/58/394917158.db2.gz ZAYOICOVGMYPDF-SCRDCRAPSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000415422897 394930876 /nfs/dbraw/zinc/93/08/76/394930876.db2.gz XLDOLNOKSHZDSM-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000415425530 394930925 /nfs/dbraw/zinc/93/09/25/394930925.db2.gz CKMPEEWVEHDJSK-BXKDBHETSA-N 1 0 292.339 2.023 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000415486907 394936560 /nfs/dbraw/zinc/93/65/60/394936560.db2.gz SLDAJPBQQNNQQE-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415506808 394938893 /nfs/dbraw/zinc/93/88/93/394938893.db2.gz SCVUOJOUCWDWSO-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415578746 394944808 /nfs/dbraw/zinc/94/48/08/394944808.db2.gz JCBXZHGRVHCSLZ-SNVBAGLBSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415581221 394945770 /nfs/dbraw/zinc/94/57/70/394945770.db2.gz NDEHPJGWVUWIJB-NXEZZACHSA-N 1 0 280.328 2.069 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635953 394950034 /nfs/dbraw/zinc/95/00/34/394950034.db2.gz WHPZISZPQXEDNH-LLVKDONJSA-N 1 0 296.302 2.079 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628992 394950186 /nfs/dbraw/zinc/95/01/86/394950186.db2.gz HFXUFTPLFKUYNY-NSHDSACASA-N 1 0 298.318 2.229 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C[NH+]1CCCC1 ZINC000416099251 395014174 /nfs/dbraw/zinc/01/41/74/395014174.db2.gz UJESNJQNZWVPQV-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO CS[C@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370879848 395020529 /nfs/dbraw/zinc/02/05/29/395020529.db2.gz ZZYZBEOQPQKCHM-JTQLQIEISA-N 1 0 284.385 2.046 20 5 CEBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423631602 394959846 /nfs/dbraw/zinc/95/98/46/394959846.db2.gz MUZTWCUYXAWKBF-JTQLQIEISA-N 1 0 279.340 2.056 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000340107577 394978794 /nfs/dbraw/zinc/97/87/94/394978794.db2.gz YJNWSFZCOXHROT-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000343960549 395047450 /nfs/dbraw/zinc/04/74/50/395047450.db2.gz LJEFRMKDSUJMTF-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157759343 395035607 /nfs/dbraw/zinc/03/56/07/395035607.db2.gz GYQPMUUPNCQIBM-KWQFWETISA-N 1 0 297.742 2.105 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000287372509 395040531 /nfs/dbraw/zinc/04/05/31/395040531.db2.gz MLWKRPCUDDJUOB-LBPRGKRZSA-N 1 0 266.341 2.230 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000287431203 395041214 /nfs/dbraw/zinc/04/12/14/395041214.db2.gz POSMWKSPYGDAEC-NSHDSACASA-N 1 0 252.314 2.188 20 5 CEBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248292 395137406 /nfs/dbraw/zinc/13/74/06/395137406.db2.gz DMGRFHOSKIMEMA-LBPRGKRZSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000351936772 395240799 /nfs/dbraw/zinc/24/07/99/395240799.db2.gz QUCYQKWJYNASDW-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408431756 395299751 /nfs/dbraw/zinc/29/97/51/395299751.db2.gz BNFXALZYTFOGLO-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902988 395274629 /nfs/dbraw/zinc/27/46/29/395274629.db2.gz ODCVLABKDNKFCQ-WBMJQRKESA-N 1 0 289.379 2.210 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000191755134 395364654 /nfs/dbraw/zinc/36/46/54/395364654.db2.gz XKXZTQKAPKPVFT-GWCFXTLKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327699 395329975 /nfs/dbraw/zinc/32/99/75/395329975.db2.gz DOUUTLKYGURQOQ-QWHCGFSZSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190856251 395343314 /nfs/dbraw/zinc/34/33/14/395343314.db2.gz WHRBPZIUFGEMKD-WZRBSPASSA-N 1 0 264.325 2.216 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000420365549 395352402 /nfs/dbraw/zinc/35/24/02/395352402.db2.gz LHESKYBVGRRSMO-BFVZDQMLSA-N 1 0 281.331 2.210 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150880312 296517184 /nfs/dbraw/zinc/51/71/84/296517184.db2.gz RZHOCJQXYYCEGX-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CC[C@H]3C4)c2c1 ZINC000599084441 400616581 /nfs/dbraw/zinc/61/65/81/400616581.db2.gz XOXSYXDYEAMHEQ-ZDUSSCGKSA-N 1 0 284.319 2.037 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825570 155381737 /nfs/dbraw/zinc/38/17/37/155381737.db2.gz OUMCGIGDLQCJHQ-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C)nn2CC)C1 ZINC000192523575 153211007 /nfs/dbraw/zinc/21/10/07/153211007.db2.gz WJSWZAIATYRSDD-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000221948667 153311663 /nfs/dbraw/zinc/31/16/63/153311663.db2.gz SYSJBOQXVKGURA-BXUZGUMPSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000221334869 153312769 /nfs/dbraw/zinc/31/27/69/153312769.db2.gz HRTVQOBWKQRAEA-LLVKDONJSA-N 1 0 256.327 2.315 20 5 CEBDRO CC[N@H+](CCNc1nc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000222986025 153318265 /nfs/dbraw/zinc/31/82/65/153318265.db2.gz BBHOAKIWUJWFQP-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227650266 153352017 /nfs/dbraw/zinc/35/20/17/153352017.db2.gz NYSQAQAHYJFWRW-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228929998 153374340 /nfs/dbraw/zinc/37/43/40/153374340.db2.gz OGXMTGLHASCVIT-WDEREUQCSA-N 1 0 279.340 2.159 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230151987 153382463 /nfs/dbraw/zinc/38/24/63/153382463.db2.gz RJBWWYGDBYENAO-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230155404 153387214 /nfs/dbraw/zinc/38/72/14/153387214.db2.gz HGVRSEHTKOCQJY-KCJUWKMLSA-N 1 0 256.327 2.313 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704179 153399060 /nfs/dbraw/zinc/39/90/60/153399060.db2.gz IUWJAEKAVSHCGZ-JTQLQIEISA-N 1 0 268.338 2.199 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000261923011 153876326 /nfs/dbraw/zinc/87/63/26/153876326.db2.gz KSSGOMACCRQPMX-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344179671 154271932 /nfs/dbraw/zinc/27/19/32/154271932.db2.gz OCTWEZGKJXVCKN-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO CC[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351858317 154319872 /nfs/dbraw/zinc/31/98/72/154319872.db2.gz VQOBTGORFIOAMC-UHFFFAOYSA-N 1 0 285.294 2.011 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000367666404 156221552 /nfs/dbraw/zinc/22/15/52/156221552.db2.gz VUGKLSOAGQCHKP-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO CSCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375404166 157095807 /nfs/dbraw/zinc/09/58/07/157095807.db2.gz NMUQQOYKUPPKBS-NSHDSACASA-N 1 0 284.385 2.181 20 5 CEBDRO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCCCC1 ZINC000376526972 157240861 /nfs/dbraw/zinc/24/08/61/157240861.db2.gz MCPPTRRKLDPKEY-UHFFFAOYSA-N 1 0 297.380 2.438 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822406 298268254 /nfs/dbraw/zinc/26/82/54/298268254.db2.gz HJHXRNLNYCPQMY-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000159420596 162310358 /nfs/dbraw/zinc/31/03/58/162310358.db2.gz NEHFVPVXXSDCMD-QMTHXVAHSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166828892 162355201 /nfs/dbraw/zinc/35/52/01/162355201.db2.gz NZBSBCYPNIWLGU-SNVBAGLBSA-N 1 0 253.277 2.288 20 5 CEBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000171056737 162378407 /nfs/dbraw/zinc/37/84/07/162378407.db2.gz GMYBRCUTHNJRCX-UHFFFAOYSA-N 1 0 291.351 2.214 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000174831545 165118729 /nfs/dbraw/zinc/11/87/29/165118729.db2.gz RNJDKFOUJXQVQX-AWEZNQCLSA-N 1 0 278.356 2.446 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000176266705 165159298 /nfs/dbraw/zinc/15/92/98/165159298.db2.gz SAWKLKBZNFBULX-RYUDHWBXSA-N 1 0 264.329 2.056 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291521 196022339 /nfs/dbraw/zinc/02/23/39/196022339.db2.gz XXKPNETZAKJNHF-SNVBAGLBSA-N 1 0 289.339 2.033 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026643 196181061 /nfs/dbraw/zinc/18/10/61/196181061.db2.gz HOTQNOMRMCNNKF-ISBNUJHVSA-N 1 0 279.340 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccnc2)cc1 ZINC000035677692 172348333 /nfs/dbraw/zinc/34/83/33/172348333.db2.gz PDMJGTALHSMFRD-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285412255 196275970 /nfs/dbraw/zinc/27/59/70/196275970.db2.gz XTXFWCLNYNECLF-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000285565991 196329010 /nfs/dbraw/zinc/32/90/10/196329010.db2.gz HJDAFJZTOOHKAP-LLVKDONJSA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177069 173010763 /nfs/dbraw/zinc/01/07/63/173010763.db2.gz RLLDEGCUDLLUGW-LBPRGKRZSA-N 1 0 263.341 2.341 20 5 CEBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000037668620 173610510 /nfs/dbraw/zinc/61/05/10/173610510.db2.gz KUNKJKCXPWTHIE-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000038079456 174089581 /nfs/dbraw/zinc/08/95/81/174089581.db2.gz VYMZJQRLBXEACY-RISCZKNCSA-N 1 0 280.324 2.131 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000040622184 174354660 /nfs/dbraw/zinc/35/46/60/174354660.db2.gz KBVKDTABUJOLIR-AWEZNQCLSA-N 1 0 277.368 2.415 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000041678170 174603863 /nfs/dbraw/zinc/60/38/63/174603863.db2.gz FABLRRRAMAJMTO-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000044512953 175188118 /nfs/dbraw/zinc/18/81/18/175188118.db2.gz IZMPNZJFJGCFOO-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO CC[C@H]([NH2+]CCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044694022 175234859 /nfs/dbraw/zinc/23/48/59/175234859.db2.gz CSGKHTQNDMUJAV-AWEZNQCLSA-N 1 0 282.340 2.299 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045157960 175317973 /nfs/dbraw/zinc/31/79/73/175317973.db2.gz HXCKYRFUHBKVCS-UHFFFAOYSA-N 1 0 285.369 2.036 20 5 CEBDRO CCCC[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444817 175396694 /nfs/dbraw/zinc/39/66/94/175396694.db2.gz OFEYUYAMEMWFNS-CQSZACIVSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000072013497 176309013 /nfs/dbraw/zinc/30/90/13/176309013.db2.gz OQXHMMKIJKBQPM-NSHDSACASA-N 1 0 295.339 2.040 20 5 CEBDRO Cc1cc(NCC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000073000358 176448208 /nfs/dbraw/zinc/44/82/08/176448208.db2.gz RIGSGHQBKZKAMM-UHFFFAOYSA-N 1 0 264.329 2.052 20 5 CEBDRO CC(=O)NCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000566796759 299022664 /nfs/dbraw/zinc/02/26/64/299022664.db2.gz IIWXHJLSLHIFOB-FMIVXFBMSA-N 1 0 291.351 2.066 20 5 CEBDRO COC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537618 260038971 /nfs/dbraw/zinc/03/89/71/260038971.db2.gz XGIKWBNKNNJFBU-JHJVBQTASA-N 1 0 296.371 2.147 20 5 CEBDRO CO[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000425418548 264295993 /nfs/dbraw/zinc/29/59/93/264295993.db2.gz IYLJZRYCQHDEDF-OAHLLOKOSA-N 1 0 276.336 2.378 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000519754948 265576381 /nfs/dbraw/zinc/57/63/81/265576381.db2.gz ZOROSICZKBWQPM-DOMZBBRYSA-N 1 0 298.346 2.331 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323033 270334268 /nfs/dbraw/zinc/33/42/68/270334268.db2.gz LCYXZPUDLKTPLY-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]([NH3+])CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420157588 270474041 /nfs/dbraw/zinc/47/40/41/270474041.db2.gz PGPVZQGPIFGJBY-SECBINFHSA-N 1 0 260.297 2.292 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420362052 270527256 /nfs/dbraw/zinc/52/72/56/270527256.db2.gz HLTVPNOERZBFOZ-UHIISALHSA-N 1 0 263.341 2.243 20 5 CEBDRO C[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423371941 270905956 /nfs/dbraw/zinc/90/59/56/270905956.db2.gz VODFYEIPMNHUBP-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423550048 270924379 /nfs/dbraw/zinc/92/43/79/270924379.db2.gz FIQOUTXRQDZUMA-NSHDSACASA-N 1 0 291.351 2.058 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000424054172 271007045 /nfs/dbraw/zinc/00/70/45/271007045.db2.gz GQNZJEAZTSTHHT-UHFFFAOYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425361732 271160179 /nfs/dbraw/zinc/16/01/79/271160179.db2.gz YKKZJPULLCQLFX-NWDGAFQWSA-N 1 0 281.381 2.182 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000430220400 271365769 /nfs/dbraw/zinc/36/57/69/271365769.db2.gz PUAHAMCINCORNQ-ZIAGYGMSSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122017105 273641611 /nfs/dbraw/zinc/64/16/11/273641611.db2.gz YVOGNOPYURCNJJ-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000235306159 274298771 /nfs/dbraw/zinc/29/87/71/274298771.db2.gz BEUOGMSGNBMFRG-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO Cc1nc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301669492 274840677 /nfs/dbraw/zinc/84/06/77/274840677.db2.gz YGBSGARZKGVHRR-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c2ncccc12 ZINC000301108680 275036151 /nfs/dbraw/zinc/03/61/51/275036151.db2.gz QSDYJPBJPLCNKB-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](O)C1)CCC2 ZINC000295830096 275038643 /nfs/dbraw/zinc/03/86/43/275038643.db2.gz CMYQHXHFAQWSEY-SCDSUCTJSA-N 1 0 262.309 2.085 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330024 275676319 /nfs/dbraw/zinc/67/63/19/275676319.db2.gz HYWLWBBXZVYSGF-GWCFXTLKSA-N 1 0 252.314 2.262 20 5 CEBDRO CC(C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160592780 275865646 /nfs/dbraw/zinc/86/56/46/275865646.db2.gz ZZJHAGAAINMHCC-ZDUSSCGKSA-N 1 0 278.352 2.276 20 5 CEBDRO CCCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071314600 276002814 /nfs/dbraw/zinc/00/28/14/276002814.db2.gz WSHRODADXUUHBE-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO CC[C@@H]([NH2+]CC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000128889136 276435146 /nfs/dbraw/zinc/43/51/46/276435146.db2.gz GKSBQBWZUUTDBN-CQSZACIVSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330252 277925440 /nfs/dbraw/zinc/92/54/40/277925440.db2.gz HYWLWBBXZVYSGF-ZWNOBZJWSA-N 1 0 252.314 2.262 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000192127497 278854096 /nfs/dbraw/zinc/85/40/96/278854096.db2.gz KLBTUCLNKXNALO-BXUZGUMPSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H]1C[C@H]1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530776 279006612 /nfs/dbraw/zinc/00/66/12/279006612.db2.gz QTNWNWJJVZPFPY-MNOVXSKESA-N 1 0 262.309 2.445 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000300422818 279054629 /nfs/dbraw/zinc/05/46/29/279054629.db2.gz LJUTWLKROFCCFY-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CO)CC1 ZINC000127053271 279851110 /nfs/dbraw/zinc/85/11/10/279851110.db2.gz GRRCAEOHIDLMKY-HWKANZROSA-N 1 0 276.336 2.312 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000134482585 280023236 /nfs/dbraw/zinc/02/32/36/280023236.db2.gz IJXVRYWNINPXRJ-NSHDSACASA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223164324 280212413 /nfs/dbraw/zinc/21/24/13/280212413.db2.gz IWUNNSMBIJNPNI-RYUDHWBXSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089106445 280216176 /nfs/dbraw/zinc/21/61/76/280216176.db2.gz HVPSLBRRPQSTTJ-DGCLKSJQSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086469348 288213594 /nfs/dbraw/zinc/21/35/94/288213594.db2.gz WMBGNSUHLJCDGQ-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000359101606 280399209 /nfs/dbraw/zinc/39/92/09/280399209.db2.gz RDVSAHUWLIFGQH-ZDUSSCGKSA-N 1 0 288.351 2.057 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000397743510 280683184 /nfs/dbraw/zinc/68/31/84/280683184.db2.gz XJVJCHVZLMVBHO-ZSBIGDGJSA-N 1 0 262.309 2.492 20 5 CEBDRO Cc1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000175013294 280915914 /nfs/dbraw/zinc/91/59/14/280915914.db2.gz QUMCDBSDHMNEBP-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000276933559 281011010 /nfs/dbraw/zinc/01/10/10/281011010.db2.gz ABEHRYZHEQJLQU-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423528524 281062217 /nfs/dbraw/zinc/06/22/17/281062217.db2.gz OLZKFYQBWUBUMJ-LLVKDONJSA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H](C)[NH3+] ZINC000423719054 281082268 /nfs/dbraw/zinc/08/22/68/281082268.db2.gz DWZHZUYKKCWCRG-MNOVXSKESA-N 1 0 291.351 2.069 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000424330519 281150771 /nfs/dbraw/zinc/15/07/71/281150771.db2.gz IFVMHOFFLRBHEV-GHMZBOCLSA-N 1 0 290.323 2.096 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455981 281238019 /nfs/dbraw/zinc/23/80/19/281238019.db2.gz SOFAUCDPWXXVEG-WCBMZHEXSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC000110509722 281259091 /nfs/dbraw/zinc/25/90/91/281259091.db2.gz LWDNAETVSMLKRH-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446044235 281721414 /nfs/dbraw/zinc/72/14/14/281721414.db2.gz USICSSPGJFPDTQ-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151322626 289054864 /nfs/dbraw/zinc/05/48/64/289054864.db2.gz FELVJQZWAWPVAI-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826533 289068043 /nfs/dbraw/zinc/06/80/43/289068043.db2.gz NDOXSRCMAXNMSL-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151851654 289069054 /nfs/dbraw/zinc/06/90/54/289069054.db2.gz SICQCFDYWRZRMP-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151851759 289069168 /nfs/dbraw/zinc/06/91/68/289069168.db2.gz SICQCFDYWRZRMP-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660334 290042840 /nfs/dbraw/zinc/04/28/40/290042840.db2.gz VNOAEMVSHWPMPI-DRZSPHRISA-N 1 0 291.351 2.290 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000459741653 290223827 /nfs/dbraw/zinc/22/38/27/290223827.db2.gz NAVSEEKSBAMEOC-OLZOCXBDSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000459749809 290226894 /nfs/dbraw/zinc/22/68/94/290226894.db2.gz YYYNSPORRTTWRK-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251773845 290251589 /nfs/dbraw/zinc/25/15/89/290251589.db2.gz MOHCUTQHTGMYKD-GYSYKLTISA-N 1 0 263.341 2.325 20 5 CEBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000471633891 290275264 /nfs/dbraw/zinc/27/52/64/290275264.db2.gz CWQGDROCRXMVTQ-CQSZACIVSA-N 1 0 294.399 2.498 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)C)C2)n1 ZINC000487080534 290331060 /nfs/dbraw/zinc/33/10/60/290331060.db2.gz STIFYZPAXBBIGI-ZDUSSCGKSA-N 1 0 292.383 2.383 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347169819 295265844 /nfs/dbraw/zinc/26/58/44/295265844.db2.gz MQGBYVTZNMGHJG-BRLPQQTGSA-N 1 0 275.352 2.421 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000531103712 298094018 /nfs/dbraw/zinc/09/40/18/298094018.db2.gz GZGOAAFBAIIMGV-UHFFFAOYSA-N 1 0 289.339 2.097 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3CC3)C2)nc1 ZINC000547832110 298380627 /nfs/dbraw/zinc/38/06/27/298380627.db2.gz BQMPXZFOVNYQDP-LBPRGKRZSA-N 1 0 276.340 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCF)CC2)cn1 ZINC000551382692 298456716 /nfs/dbraw/zinc/45/67/16/298456716.db2.gz OEGHNQQFMGOLJZ-UHFFFAOYSA-N 1 0 296.346 2.252 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CO1 ZINC000563122966 298739750 /nfs/dbraw/zinc/73/97/50/298739750.db2.gz BAPONVDEJJFACN-VOAKCMCISA-N 1 0 294.355 2.042 20 5 CEBDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000566094998 298943947 /nfs/dbraw/zinc/94/39/47/298943947.db2.gz WDXRLPITGLYYPX-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566556560 299002276 /nfs/dbraw/zinc/00/22/76/299002276.db2.gz OWFIWBQYGQTBOZ-SMDDNHRTSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1cnc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222635 302345491 /nfs/dbraw/zinc/34/54/91/302345491.db2.gz QVABGUYHDDLUKW-VXGBXAGGSA-N 1 0 278.356 2.217 20 5 CEBDRO CC(=O)c1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000514667512 313052923 /nfs/dbraw/zinc/05/29/23/313052923.db2.gz BRPMHDOXWCSSHW-LLVKDONJSA-N 1 0 278.308 2.176 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000516193071 313085187 /nfs/dbraw/zinc/08/51/87/313085187.db2.gz FWLSCOMIIDAIQB-LBPRGKRZSA-N 1 0 289.335 2.054 20 5 CEBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581174 314098001 /nfs/dbraw/zinc/09/80/01/314098001.db2.gz JMBSJKRDZYXYRX-HIFRSBDPSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578731603 314510673 /nfs/dbraw/zinc/51/06/73/314510673.db2.gz KESDEMBALZSLJZ-QWHCGFSZSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000578759849 314514531 /nfs/dbraw/zinc/51/45/31/314514531.db2.gz MUOWHUYWLRVAQP-STQMWFEESA-N 1 0 292.335 2.033 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000414447147 533873465 /nfs/dbraw/zinc/87/34/65/533873465.db2.gz ZGBSIOOMWDUNIJ-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414656223 534342849 /nfs/dbraw/zinc/34/28/49/534342849.db2.gz IBTJUHNYKFWYOP-PWSUYJOCSA-N 1 0 292.339 2.023 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+](C)C ZINC000184783738 518442767 /nfs/dbraw/zinc/44/27/67/518442767.db2.gz FQUFIDRRHYICHQ-VAWYXSNFSA-N 1 0 291.351 2.066 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000069044972 519678098 /nfs/dbraw/zinc/67/80/98/519678098.db2.gz CBVXUUXUHOLNQD-LLVKDONJSA-N 1 0 295.339 2.038 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157151469 519836039 /nfs/dbraw/zinc/83/60/39/519836039.db2.gz MSPRAVUZIXWJGL-GFCCVEGCSA-N 1 0 291.351 2.025 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000049480559 521480203 /nfs/dbraw/zinc/48/02/03/521480203.db2.gz XQZYTQMUDIXMOI-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000183517541 525565604 /nfs/dbraw/zinc/56/56/04/525565604.db2.gz QARBQHQXPTWAAI-OAHLLOKOSA-N 1 0 290.319 2.494 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000052812752 525578552 /nfs/dbraw/zinc/57/85/52/525578552.db2.gz ZEBHBVFKNSJIGW-CHWSQXEVSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312152 525921897 /nfs/dbraw/zinc/92/18/97/525921897.db2.gz UQPBCDLSYGIUIA-KKRWKGTOSA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000068467589 526068533 /nfs/dbraw/zinc/06/85/33/526068533.db2.gz YBONZDNTDVGTIK-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1sc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000183330328 526871774 /nfs/dbraw/zinc/87/17/74/526871774.db2.gz FFMJVHYXEDKWGH-UHFFFAOYSA-N 1 0 297.380 2.084 20 5 CEBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000054626638 527035775 /nfs/dbraw/zinc/03/57/75/527035775.db2.gz SDVGESUCSLGHME-OKILXGFUSA-N 1 0 274.320 2.333 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCCC[C@H]2O)c1 ZINC000052926293 527386289 /nfs/dbraw/zinc/38/62/89/527386289.db2.gz ZYNIYWVUFOWANS-UONOGXRCSA-N 1 0 264.325 2.378 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000372472733 527417590 /nfs/dbraw/zinc/41/75/90/527417590.db2.gz NHPMFXVSPPDKGM-LBPRGKRZSA-N 1 0 264.329 2.371 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350730 529145402 /nfs/dbraw/zinc/14/54/02/529145402.db2.gz USUPCKPAWKXBCN-VXGBXAGGSA-N 1 0 293.367 2.029 20 5 CEBDRO Cc1ccnc(N2CCC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000734479725 574715274 /nfs/dbraw/zinc/71/52/74/574715274.db2.gz ZRMDCMKJHXVUJD-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCn1cnc2c1CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000933261059 623567718 /nfs/dbraw/zinc/56/77/18/623567718.db2.gz ACKVNYBMOMZCIK-UHFFFAOYSA-N 1 0 292.364 2.431 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000167445582 625661329 /nfs/dbraw/zinc/66/13/29/625661329.db2.gz DZVHJZHGUFJXOZ-YPMHNXCESA-N 1 0 282.365 2.113 20 5 CEBDRO CC(C)[NH+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891724140 623928609 /nfs/dbraw/zinc/92/86/09/623928609.db2.gz IBSMRQQGNXONAD-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000891814312 623989389 /nfs/dbraw/zinc/98/93/89/623989389.db2.gz LXQPXODDSGIWDS-GFCCVEGCSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891979943 624224650 /nfs/dbraw/zinc/22/46/50/624224650.db2.gz XYUVEWVTFZHLEK-UTUOFQBUSA-N 1 0 295.387 2.107 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000051692640 624523065 /nfs/dbraw/zinc/52/30/65/624523065.db2.gz LUSBMQYTCITBLH-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000158639786 624581002 /nfs/dbraw/zinc/58/10/02/624581002.db2.gz UKEPUOUPLBWIKN-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO Cc1cc(-c2noc(CC(C)(C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843239994 625169258 /nfs/dbraw/zinc/16/92/58/625169258.db2.gz RTAMWRLRDYPUDI-UHFFFAOYSA-N 1 0 276.296 2.233 20 5 CEBDRO Cc1c(C[NH2+]CCOCC2CC2)cccc1[N+](=O)[O-] ZINC000235814482 625753851 /nfs/dbraw/zinc/75/38/51/625753851.db2.gz FAKLFIRBCREBTN-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000892817148 627788772 /nfs/dbraw/zinc/78/87/72/627788772.db2.gz AGWXRKHZQJZNRX-UHFFFAOYSA-N 1 0 293.371 2.147 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)(O)CC1 ZINC000892940089 627867198 /nfs/dbraw/zinc/86/71/98/627867198.db2.gz YSWARDVURSMDTL-UHFFFAOYSA-N 1 0 294.351 2.387 20 5 CEBDRO CCOCCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554092 628083414 /nfs/dbraw/zinc/08/34/14/628083414.db2.gz HYYVLFLXJQVDMK-UHFFFAOYSA-N 1 0 296.367 2.473 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000035697373 628194980 /nfs/dbraw/zinc/19/49/80/628194980.db2.gz MPGHEKIADMLNNK-SNVBAGLBSA-N 1 0 274.280 2.112 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278590 628231764 /nfs/dbraw/zinc/23/17/64/628231764.db2.gz HQWZAVBGFOKFCK-NXEZZACHSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000931036224 628338077 /nfs/dbraw/zinc/33/80/77/628338077.db2.gz DHJAPMPLKFCVQA-YPMHNXCESA-N 1 0 263.341 2.119 20 5 CEBDRO [NH3+][C@@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000236298603 628975075 /nfs/dbraw/zinc/97/50/75/628975075.db2.gz RRWRRWIRJNRWPM-SSDOTTSWSA-N 1 0 273.695 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261732413 629166059 /nfs/dbraw/zinc/16/60/59/629166059.db2.gz LILSEUWAOAHGTB-AWEZNQCLSA-N 1 0 295.770 2.434 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000894282130 629302184 /nfs/dbraw/zinc/30/21/84/629302184.db2.gz YNJWKWOARSCENT-JTQLQIEISA-N 1 0 298.364 2.293 20 5 CEBDRO CC[N@H+](CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000928249079 629343725 /nfs/dbraw/zinc/34/37/25/629343725.db2.gz OXFRCGJKFXRRBJ-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794951328 629371722 /nfs/dbraw/zinc/37/17/22/629371722.db2.gz IGJKCKGUTVZVRL-QQUHWDOBSA-N 1 0 290.319 2.007 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000821508271 634743851 /nfs/dbraw/zinc/74/38/51/634743851.db2.gz RSWIRBBSYXJXKM-SNVBAGLBSA-N 1 0 294.355 2.222 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000894804696 629643636 /nfs/dbraw/zinc/64/36/36/629643636.db2.gz PIXCVARUFAYCKB-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@H]2CCCCO2)cc1 ZINC000894796420 629645570 /nfs/dbraw/zinc/64/55/70/629645570.db2.gz IOVZFVSDMRFZKR-HNNXBMFYSA-N 1 0 294.351 2.270 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000795676201 629651420 /nfs/dbraw/zinc/65/14/20/629651420.db2.gz YQTWLHJCRFOCSX-BETUJISGSA-N 1 0 290.323 2.011 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000262060431 629661321 /nfs/dbraw/zinc/66/13/21/629661321.db2.gz RBAKTLLAGPORSN-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)C2CC2)c(F)c1 ZINC000795994165 629732122 /nfs/dbraw/zinc/73/21/22/629732122.db2.gz PTEJQXKFQVALOZ-CYBMUJFWSA-N 1 0 286.278 2.124 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000895100335 629896405 /nfs/dbraw/zinc/89/64/05/629896405.db2.gz AJIBOXJTRCXOAK-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125044 629928888 /nfs/dbraw/zinc/92/88/88/629928888.db2.gz OFIPJWRHJZFRRQ-PSASIEDQSA-N 1 0 298.364 2.293 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000895769700 630338014 /nfs/dbraw/zinc/33/80/14/630338014.db2.gz GNVHRLPCVDWXDB-VIFPVBQESA-N 1 0 287.266 2.312 20 5 CEBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000896114711 630468241 /nfs/dbraw/zinc/46/82/41/630468241.db2.gz DDHKDMDDIYGGRJ-ZDUSSCGKSA-N 1 0 281.356 2.282 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896256623 630511015 /nfs/dbraw/zinc/51/10/15/630511015.db2.gz WFHNDAUTNOQMLC-UHFFFAOYSA-N 1 0 293.371 2.147 20 5 CEBDRO CC[N@H+](CCC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000896711314 630646704 /nfs/dbraw/zinc/64/67/04/630646704.db2.gz FXAJHLHHRFAAOG-XFXZXTDPSA-N 1 0 291.351 2.195 20 5 CEBDRO Cc1ccc(C(C)(C)C[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000798197080 630836436 /nfs/dbraw/zinc/83/64/36/630836436.db2.gz OOBJUTBXAONWGR-UHFFFAOYSA-N 1 0 250.342 2.481 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465762 631531948 /nfs/dbraw/zinc/53/19/48/631531948.db2.gz HWDYOXGLYZLXJJ-MDZLAQPJSA-N 1 0 264.325 2.465 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465982 631532253 /nfs/dbraw/zinc/53/22/53/631532253.db2.gz LYPKDWLVIXDSAP-BZPMIXESSA-N 1 0 277.368 2.238 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000843148494 631859445 /nfs/dbraw/zinc/85/94/45/631859445.db2.gz SZGMCHMZTRICMC-GFCCVEGCSA-N 1 0 276.296 2.224 20 5 CEBDRO Cn1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000808390716 631954922 /nfs/dbraw/zinc/95/49/22/631954922.db2.gz AUUQVTFFHZIZTG-UHFFFAOYSA-N 1 0 288.351 2.441 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2([NH+](C)C)CC2)c1 ZINC000842047332 631978388 /nfs/dbraw/zinc/97/83/88/631978388.db2.gz VNPUPNJKGYSZMP-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO Cc1c(C[NH2+]C2CC(CCO)C2)cccc1[N+](=O)[O-] ZINC000898014709 632014788 /nfs/dbraw/zinc/01/47/88/632014788.db2.gz FCUULXFVIADBMT-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898202284 632083366 /nfs/dbraw/zinc/08/33/66/632083366.db2.gz GVHBKWDCQIZYEF-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898183872 632098979 /nfs/dbraw/zinc/09/89/79/632098979.db2.gz OYAPOAGVTBPWJJ-GXTWGEPZSA-N 1 0 282.315 2.116 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1Cl ZINC000809739549 632135541 /nfs/dbraw/zinc/13/55/41/632135541.db2.gz NXUUWMIHPKMFHX-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905048256 635788481 /nfs/dbraw/zinc/78/84/81/635788481.db2.gz CHGLJFKKCPCLHU-LLVKDONJSA-N 1 0 252.314 2.468 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)C1CC1 ZINC000927150309 632617214 /nfs/dbraw/zinc/61/72/14/632617214.db2.gz LIAZBZXKCKIDQB-KCPJHIHWSA-N 1 0 290.363 2.276 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579746 633033716 /nfs/dbraw/zinc/03/37/16/633033716.db2.gz UDEUXZINIAEZQM-HZMBPMFUSA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583941 633034259 /nfs/dbraw/zinc/03/42/59/633034259.db2.gz RNYLMDXKFDUWEZ-GVXVVHGQSA-N 1 0 292.383 2.310 20 5 CEBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[NH2+]1 ZINC000817906909 633765802 /nfs/dbraw/zinc/76/58/02/633765802.db2.gz GTZNXPRAALOOKJ-TVQRCGJNSA-N 1 0 283.759 2.478 20 5 CEBDRO CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957305 633799545 /nfs/dbraw/zinc/79/95/45/633799545.db2.gz AIHXIFRODRRZKI-ZYHUDNBSSA-N 1 0 280.372 2.201 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957304 633800182 /nfs/dbraw/zinc/80/01/82/633800182.db2.gz AIHXIFRODRRZKI-PWSUYJOCSA-N 1 0 280.372 2.201 20 5 CEBDRO Cc1ncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000818975101 634024485 /nfs/dbraw/zinc/02/44/85/634024485.db2.gz SUVVFTZBVPYECA-CYBMUJFWSA-N 1 0 293.348 2.183 20 5 CEBDRO C[NH2+][C@H](C)c1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398137 634089892 /nfs/dbraw/zinc/08/98/92/634089892.db2.gz JYQOTZGIROYEBR-SSDOTTSWSA-N 1 0 291.263 2.259 20 5 CEBDRO Cc1cncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819195161 634101274 /nfs/dbraw/zinc/10/12/74/634101274.db2.gz XRRWUSLRUWCTGK-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902853998 634867602 /nfs/dbraw/zinc/86/76/02/634867602.db2.gz XPHHXUHKWTZPFI-QZPUYBJASA-N 1 0 288.347 2.498 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000822509695 634933732 /nfs/dbraw/zinc/93/37/32/634933732.db2.gz MEVRNSXWTAJSJQ-CHWSQXEVSA-N 1 0 299.415 2.201 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903148204 634995880 /nfs/dbraw/zinc/99/58/80/634995880.db2.gz QPYWVNUWLWVKKR-VWYCJHECSA-N 1 0 282.340 2.413 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000822807830 635000159 /nfs/dbraw/zinc/00/01/59/635000159.db2.gz IDGCNIGEPJJGDB-JTQLQIEISA-N 1 0 288.307 2.105 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCC2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903187008 635012571 /nfs/dbraw/zinc/01/25/71/635012571.db2.gz PTDNZFRAAJAFOA-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903221113 635022352 /nfs/dbraw/zinc/02/23/52/635022352.db2.gz YKNQCLSDRUEDCY-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO CON1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000903244810 635026206 /nfs/dbraw/zinc/02/62/06/635026206.db2.gz DPGYGPHPYBWHHC-GFCCVEGCSA-N 1 0 293.367 2.314 20 5 CEBDRO C[C@H]([NH2+]C1CC(CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903328285 635076764 /nfs/dbraw/zinc/07/67/64/635076764.db2.gz IXLVKTHQLKZVMV-ZBOXLXRLSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000823269540 635119030 /nfs/dbraw/zinc/11/90/30/635119030.db2.gz IGRSBZWYNJURMS-JTQLQIEISA-N 1 0 288.307 2.105 20 5 CEBDRO C[NH+](C)CCC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823310245 635133831 /nfs/dbraw/zinc/13/38/31/635133831.db2.gz KGXVZTHTNHIPHC-UHFFFAOYSA-N 1 0 299.415 2.012 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000903798452 635275771 /nfs/dbraw/zinc/27/57/71/635275771.db2.gz NNIJUOVSFXSMPF-WCQYABFASA-N 1 0 281.381 2.360 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800177 635276732 /nfs/dbraw/zinc/27/67/32/635276732.db2.gz USRUNZWBCZVPON-ZBFHGGJFSA-N 1 0 289.379 2.341 20 5 CEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000903821203 635290338 /nfs/dbraw/zinc/29/03/38/635290338.db2.gz GZYAIGHIXYTZHU-TZMCWYRMSA-N 1 0 289.360 2.371 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903883399 635326441 /nfs/dbraw/zinc/32/64/41/635326441.db2.gz VMXSTSJORJISDM-ZDUSSCGKSA-N 1 0 289.379 2.343 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000824892957 635519300 /nfs/dbraw/zinc/51/93/00/635519300.db2.gz HCEMFOFEEOGVKF-YGRLFVJLSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000904272363 635540576 /nfs/dbraw/zinc/54/05/76/635540576.db2.gz COVGYBGKMPVJAL-LBPRGKRZSA-N 1 0 292.339 2.023 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000904462847 635635364 /nfs/dbraw/zinc/63/53/64/635635364.db2.gz LHMYPMAAPJQAAV-DYLGSBMWSA-N 1 0 275.352 2.196 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000904932764 635766860 /nfs/dbraw/zinc/76/68/60/635766860.db2.gz YFQLZKVCEAHIFT-OAHLLOKOSA-N 1 0 291.351 2.310 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCSc1ccc(Cl)cc1 ZINC000905029005 635793890 /nfs/dbraw/zinc/79/38/90/635793890.db2.gz VVTMPXBZESPZNZ-UHFFFAOYSA-N 1 0 260.746 2.298 20 5 CEBDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905087513 635801705 /nfs/dbraw/zinc/80/17/05/635801705.db2.gz FUGKKEWSYGSRLT-LBPRGKRZSA-N 1 0 297.786 2.341 20 5 CEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905123508 635826915 /nfs/dbraw/zinc/82/69/15/635826915.db2.gz YZOVQFBVDJAXQL-CYBMUJFWSA-N 1 0 277.368 2.078 20 5 CEBDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905144889 635846319 /nfs/dbraw/zinc/84/63/19/635846319.db2.gz KVDWMFUYAHTONM-LSDHHAIUSA-N 1 0 278.352 2.329 20 5 CEBDRO C[C@H](C[NH2+]C[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905645461 636380534 /nfs/dbraw/zinc/38/05/34/636380534.db2.gz YMKIOFGCTCESDF-YGRLFVJLSA-N 1 0 264.325 2.059 20 5 CEBDRO Cc1ccc(Cn2cc(C[NH2+]C(C)C)nn2)cc1[N+](=O)[O-] ZINC000905793237 636462349 /nfs/dbraw/zinc/46/23/49/636462349.db2.gz TXKZKVGNULMHHE-UHFFFAOYSA-N 1 0 289.339 2.041 20 5 CEBDRO C[C@H]([NH2+]CCn1ccccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830160478 636995685 /nfs/dbraw/zinc/99/56/85/636995685.db2.gz BQRWRZJTKJCYLI-LBPRGKRZSA-N 1 0 287.319 2.107 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH2+]C(C)C ZINC000876524788 650302925 /nfs/dbraw/zinc/30/29/25/650302925.db2.gz SSDJDMUPSNOEDM-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000908279781 637282513 /nfs/dbraw/zinc/28/25/13/637282513.db2.gz KUJOUHMHRNYCGQ-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831852505 637447515 /nfs/dbraw/zinc/44/75/15/637447515.db2.gz BPDWZPYAWYMAHR-UHFFFAOYSA-N 1 0 299.415 2.156 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616346 637620841 /nfs/dbraw/zinc/62/08/41/637620841.db2.gz WXZFDNYKULLRFH-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616055 637621162 /nfs/dbraw/zinc/62/11/62/637621162.db2.gz QAHPKVLXAJKKIB-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000910295531 637999346 /nfs/dbraw/zinc/99/93/46/637999346.db2.gz MGCPTXVQWPQHQW-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876798772 650437692 /nfs/dbraw/zinc/43/76/92/650437692.db2.gz NYOZSBSCTKVTIY-LLVKDONJSA-N 1 0 293.367 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)s1 ZINC000225421286 639496460 /nfs/dbraw/zinc/49/64/60/639496460.db2.gz DGCKSMPPTNNXRD-SSDOTTSWSA-N 1 0 280.309 2.173 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000227689114 639601481 /nfs/dbraw/zinc/60/14/81/639601481.db2.gz LUDWZNVBLRWNEC-YPMHNXCESA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062263 639638299 /nfs/dbraw/zinc/63/82/99/639638299.db2.gz VBXXYMNTUQVEGO-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918407 639827720 /nfs/dbraw/zinc/82/77/20/639827720.db2.gz YQXJUMAJLUFZPA-QWRGUYRKSA-N 1 0 252.318 2.259 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877025736 650536343 /nfs/dbraw/zinc/53/63/43/650536343.db2.gz ULXNADRBDZUMST-PGHLRGPGSA-N 1 0 264.329 2.273 20 5 CEBDRO CC1(C)C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877027331 650537563 /nfs/dbraw/zinc/53/75/63/650537563.db2.gz NJBQRESHDHLUEA-WHXUTIOJSA-N 1 0 264.329 2.131 20 5 CEBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC[N+](=O)[O-])C1 ZINC000929724271 640034669 /nfs/dbraw/zinc/03/46/69/640034669.db2.gz YWVCQKQGNBTWCG-GXFFZTMASA-N 1 0 252.289 2.485 20 5 CEBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843092124 640278254 /nfs/dbraw/zinc/27/82/54/640278254.db2.gz AJJPHSQOZUQGOP-JSGCOSHPSA-N 1 0 296.367 2.015 20 5 CEBDRO CCC[C@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843099611 640279713 /nfs/dbraw/zinc/27/97/13/640279713.db2.gz QUBSXMNHFRESDU-IUODEOHRSA-N 1 0 296.367 2.017 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843132347 640298171 /nfs/dbraw/zinc/29/81/71/640298171.db2.gz UQTRDZHQDBBBGC-UHFFFAOYSA-N 1 0 288.307 2.187 20 5 CEBDRO O=[N+]([O-])c1ccccc1Cc1noc(C2CC[NH2+]CC2)n1 ZINC000843170983 640323014 /nfs/dbraw/zinc/32/30/14/640323014.db2.gz OMHITPTWLLGNMM-UHFFFAOYSA-N 1 0 288.307 2.036 20 5 CEBDRO Cc1ccc(-c2noc(C(C)(C)C[NH3+])n2)cc1[N+](=O)[O-] ZINC000843178819 640330067 /nfs/dbraw/zinc/33/00/67/640330067.db2.gz LWEUCLBPILWDBH-UHFFFAOYSA-N 1 0 276.296 2.190 20 5 CEBDRO Cc1c(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cccc1[N+](=O)[O-] ZINC000843237959 640364580 /nfs/dbraw/zinc/36/45/80/640364580.db2.gz JGRXPDKVMZIFIB-LLVKDONJSA-N 1 0 288.307 2.233 20 5 CEBDRO CCc1ccc(C(=O)NCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000843511800 640446788 /nfs/dbraw/zinc/44/67/88/640446788.db2.gz MZWSDQINGFTNLK-UHFFFAOYSA-N 1 0 293.367 2.406 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000094953794 640627311 /nfs/dbraw/zinc/62/73/11/640627311.db2.gz CTKXPEVWRGHPPM-GFCCVEGCSA-N 1 0 266.341 2.401 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CO[NH+]=C(N)C(C)C)c1 ZINC000844765764 640831596 /nfs/dbraw/zinc/83/15/96/640831596.db2.gz DKHWASAVIGSPFY-UHFFFAOYSA-N 1 0 295.295 2.036 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[C@H](C4CC4)[NH2+]3)n2)o1 ZINC000844921070 640866624 /nfs/dbraw/zinc/86/66/24/640866624.db2.gz XGXXNDAVXDZWFL-BDAKNGLRSA-N 1 0 290.279 2.441 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918378707 640957892 /nfs/dbraw/zinc/95/78/92/640957892.db2.gz QXNQMYXQEKPDRR-LLVKDONJSA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1noc(C)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000105908920 640974226 /nfs/dbraw/zinc/97/42/26/640974226.db2.gz FHFUFZZUGMHYJA-AWEZNQCLSA-N 1 0 291.307 2.023 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCCS3)C2)c1 ZINC000877302660 650663001 /nfs/dbraw/zinc/66/30/01/650663001.db2.gz IGQXTNSEWLUNHV-GCZXYKMCSA-N 1 0 296.396 2.370 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC000848524689 642032608 /nfs/dbraw/zinc/03/26/08/642032608.db2.gz VPABRHPHRMNNMJ-ONGXEEELSA-N 1 0 290.241 2.095 20 5 CEBDRO CCOCC[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000107668565 642034443 /nfs/dbraw/zinc/03/44/43/642034443.db2.gz ACTUMDUWOYXGDO-UHFFFAOYSA-N 1 0 292.339 2.260 20 5 CEBDRO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC1 ZINC000849016334 642232511 /nfs/dbraw/zinc/23/25/11/642232511.db2.gz DZZFQLXPUNFFOH-UHFFFAOYSA-N 1 0 282.731 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000922556763 643126962 /nfs/dbraw/zinc/12/69/62/643126962.db2.gz XBBJJEUZSVEJSV-JSGCOSHPSA-N 1 0 277.368 2.394 20 5 CEBDRO COC(CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000851907701 643218902 /nfs/dbraw/zinc/21/89/02/643218902.db2.gz VXTJYZUZMODZEI-JTQLQIEISA-N 1 0 268.313 2.254 20 5 CEBDRO CCOCCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922943401 643468036 /nfs/dbraw/zinc/46/80/36/643468036.db2.gz ATXBUBJTJVPUKP-UHFFFAOYSA-N 1 0 282.340 2.046 20 5 CEBDRO Cc1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000852800925 643557395 /nfs/dbraw/zinc/55/73/95/643557395.db2.gz UFVFIRQNLOACDQ-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3CCCS3)C2)c1 ZINC000877698477 650856827 /nfs/dbraw/zinc/85/68/27/650856827.db2.gz WEEBVTWVYBCYLA-XIVSLSHWSA-N 1 0 296.396 2.370 20 5 CEBDRO C[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853491773 643788077 /nfs/dbraw/zinc/78/80/77/643788077.db2.gz YTSPQLBKNBLNPW-UHFFFAOYSA-N 1 0 287.323 2.153 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4C[C@H]4C3)n2)c1 ZINC000853579855 643821195 /nfs/dbraw/zinc/82/11/95/643821195.db2.gz NLFCPGTZGSUSEE-AAEUAGOBSA-N 1 0 299.334 2.153 20 5 CEBDRO C[C@H]1CN(CCNc2cccc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798368 643903929 /nfs/dbraw/zinc/90/39/29/643903929.db2.gz DNWJBFKHSOHQIQ-QWRGUYRKSA-N 1 0 297.330 2.255 20 5 CEBDRO CC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111690859 643934246 /nfs/dbraw/zinc/93/42/46/643934246.db2.gz BBLXPRNYFQOXSF-UHFFFAOYSA-N 1 0 276.336 2.438 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000877742631 650886929 /nfs/dbraw/zinc/88/69/29/650886929.db2.gz FSCQYSVPKAFWNU-ZIAGYGMSSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCCC2)cs1 ZINC000112204827 644049966 /nfs/dbraw/zinc/04/99/66/644049966.db2.gz IVVMEKOABMYXFN-UHFFFAOYSA-N 1 0 270.354 2.441 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199794 644486844 /nfs/dbraw/zinc/48/68/44/644486844.db2.gz PDCVKTPRBFYQGF-RISCZKNCSA-N 1 0 296.392 2.456 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC2)o1 ZINC000877935482 650951905 /nfs/dbraw/zinc/95/19/05/650951905.db2.gz RWDFNCFFDHPXAW-UHFFFAOYSA-N 1 0 274.280 2.241 20 5 CEBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857088058 644814230 /nfs/dbraw/zinc/81/42/30/644814230.db2.gz YYZIMFGLSOFXMO-SMDDNHRTSA-N 1 0 279.315 2.047 20 5 CEBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000759877402 645087101 /nfs/dbraw/zinc/08/71/01/645087101.db2.gz TUUDVSCPHPXCKR-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878031051 650978481 /nfs/dbraw/zinc/97/84/81/650978481.db2.gz OUWBHWHDFKGCKM-JTQLQIEISA-N 1 0 288.307 2.487 20 5 CEBDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000858867141 645276906 /nfs/dbraw/zinc/27/69/06/645276906.db2.gz LLBSZVIHMZWHTK-JTQLQIEISA-N 1 0 299.758 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC2)cc1Cl ZINC000761526531 645293833 /nfs/dbraw/zinc/29/38/33/645293833.db2.gz OJPHBXPPTIFNBO-UHFFFAOYSA-N 1 0 270.716 2.253 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756382 645575194 /nfs/dbraw/zinc/57/51/94/645575194.db2.gz ADYVEDMBIZPDEA-GHMZBOCLSA-N 1 0 290.319 2.341 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000765770589 645806902 /nfs/dbraw/zinc/80/69/02/645806902.db2.gz NQCKTVYHECFTLH-RYUDHWBXSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943987 645824356 /nfs/dbraw/zinc/82/43/56/645824356.db2.gz NLXGNYXOSBVYAE-NSPYISDASA-N 1 0 284.381 2.322 20 5 CEBDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181900 646928532 /nfs/dbraw/zinc/92/85/32/646928532.db2.gz ZSQHLXXKMLWIEQ-ZJRUKIMVSA-N 1 0 278.308 2.365 20 5 CEBDRO CCO[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274345 647044695 /nfs/dbraw/zinc/04/46/95/647044695.db2.gz CGCRAYJDECYVAJ-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO CCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275139 647044850 /nfs/dbraw/zinc/04/48/50/647044850.db2.gz GJESHZUXRWBFQO-OAHLLOKOSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000864618494 647065600 /nfs/dbraw/zinc/06/56/00/647065600.db2.gz INMORHLQOCNEHW-SNVBAGLBSA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865476466 647313720 /nfs/dbraw/zinc/31/37/20/647313720.db2.gz DZIZEOMZYFYMBA-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO CCCC[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865534656 647345950 /nfs/dbraw/zinc/34/59/50/647345950.db2.gz CLGHMFPPVSJKRZ-UHFFFAOYSA-N 1 0 299.346 2.370 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207079 647670523 /nfs/dbraw/zinc/67/05/23/647670523.db2.gz OCSHJPAFUVPVQB-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000866262190 647701688 /nfs/dbraw/zinc/70/16/88/647701688.db2.gz LCWJGJMOBQPQQA-VIFPVBQESA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CC1 ZINC000866277648 647713321 /nfs/dbraw/zinc/71/33/21/647713321.db2.gz GNJTYQDZQOHNIZ-SNVBAGLBSA-N 1 0 282.315 2.027 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000866367969 647759465 /nfs/dbraw/zinc/75/94/65/647759465.db2.gz RZDJRVUYLSDKFW-NRUUGDAUSA-N 1 0 284.331 2.414 20 5 CEBDRO CC1(C)CC[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000866699922 647873484 /nfs/dbraw/zinc/87/34/84/647873484.db2.gz QJBNUKDRVZOCIP-UHFFFAOYSA-N 1 0 293.367 2.048 20 5 CEBDRO CCN(CC1CC1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867946639 647997934 /nfs/dbraw/zinc/99/79/34/647997934.db2.gz JOYABNVYNPEBAV-HNNXBMFYSA-N 1 0 291.351 2.027 20 5 CEBDRO CC(C)C[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979879 648009264 /nfs/dbraw/zinc/00/92/64/648009264.db2.gz PPIMSSQDWFEXNE-XHDPSFHLSA-N 1 0 293.367 2.320 20 5 CEBDRO CC(C)C[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979876 648009591 /nfs/dbraw/zinc/00/95/91/648009591.db2.gz PPIMSSQDWFEXNE-ABAIWWIYSA-N 1 0 293.367 2.320 20 5 CEBDRO CC[N@@H+](CC(=O)NC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787407738 648105879 /nfs/dbraw/zinc/10/58/79/648105879.db2.gz QVSFEIBDARXBHD-XYOKQWHBSA-N 1 0 291.351 2.066 20 5 CEBDRO C[N@H+](CCCOc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000787706484 648129796 /nfs/dbraw/zinc/12/97/96/648129796.db2.gz AWKVBHIGZZRSOM-UHFFFAOYSA-N 1 0 272.732 2.317 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592684 648205363 /nfs/dbraw/zinc/20/53/63/648205363.db2.gz FFNWSAMMIMZIGY-JQWIXIFHSA-N 1 0 290.367 2.064 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610801 648207019 /nfs/dbraw/zinc/20/70/19/648207019.db2.gz JLEUCGRGLQWGJA-NWDGAFQWSA-N 1 0 292.383 2.312 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)C(F)(F)F ZINC000788976189 648240543 /nfs/dbraw/zinc/24/05/43/648240543.db2.gz YFZUOFZQBLJDSD-MZBZXASESA-N 1 0 290.241 2.121 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554823 648542517 /nfs/dbraw/zinc/54/25/17/648542517.db2.gz DRWUKTNSDLCMCB-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H](C(=O)OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000792133772 648612850 /nfs/dbraw/zinc/61/28/50/648612850.db2.gz FYFOBXDOAQUWFT-JTQLQIEISA-N 1 0 298.314 2.332 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000792202511 648625647 /nfs/dbraw/zinc/62/56/47/648625647.db2.gz OZWKUIUUUSPTOT-NEPJUHHUSA-N 1 0 278.308 2.026 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000870571319 648836883 /nfs/dbraw/zinc/83/68/83/648836883.db2.gz KBXDNWSSLSTNAT-ZDUSSCGKSA-N 1 0 280.324 2.338 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CO ZINC000872023513 649244412 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C[C@@](CO)([NH2+]C[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000879274548 651274645 /nfs/dbraw/zinc/27/46/45/651274645.db2.gz RZBDWLYYSCSNIA-ZDUSSCGKSA-N 1 0 282.416 2.269 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000880196629 651399911 /nfs/dbraw/zinc/39/99/11/651399911.db2.gz UBGYRRSCWPIXGT-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CCC23CCC3)c(F)c1 ZINC000883458559 652476962 /nfs/dbraw/zinc/47/69/62/652476962.db2.gz OMSKBYADGJLNIQ-UHFFFAOYSA-N 1 0 293.342 2.452 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000884244552 652764378 /nfs/dbraw/zinc/76/43/78/652764378.db2.gz HITNFGRCHVGLRG-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000884856080 652975021 /nfs/dbraw/zinc/97/50/21/652975021.db2.gz ZKVHRURLOAHPJK-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001165039587 721889348 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C[C@H]1C[N@H+](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000722246409 804143421 /nfs/dbraw/zinc/14/34/21/804143421.db2.gz VJCCYOCCZRUSAK-ZANVPECISA-N 1 0 283.759 2.288 20 5 CEBDRO Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1Cl ZINC001225864165 805351165 /nfs/dbraw/zinc/35/11/65/805351165.db2.gz WJMYWENUJVFQLY-LLVKDONJSA-N 1 0 286.779 2.011 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001119237491 815077574 /nfs/dbraw/zinc/07/75/74/815077574.db2.gz UYFZCHZDWWDIOT-LBPRGKRZSA-N 1 0 264.325 2.432 20 5 CEBDRO COc1cc(OC)c(O[C@@H](C)C[N+](C)(C)C)cc1OC ZINC001234699232 807714429 /nfs/dbraw/zinc/71/44/29/807714429.db2.gz DWWLNTDJFZGKMU-NSHDSACASA-N 1 0 284.376 2.186 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)COC1 ZINC001173212342 815635776 /nfs/dbraw/zinc/63/57/76/815635776.db2.gz ZUPTUMURJIPKEV-LLVKDONJSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@]1(CN2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263097 815208955 /nfs/dbraw/zinc/20/89/55/815208955.db2.gz JZIFYFBYUUDOSY-INIZCTEOSA-N 1 0 289.379 2.343 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700603449 809331353 /nfs/dbraw/zinc/33/13/53/809331353.db2.gz VVBSFCPBMGRWGH-VHSXEESVSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000700626565 809333441 /nfs/dbraw/zinc/33/34/41/809333441.db2.gz ZPJHDAVRVMWWGV-KWQFWETISA-N 1 0 297.742 2.058 20 5 CEBDRO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000702055153 809490475 /nfs/dbraw/zinc/49/04/75/809490475.db2.gz YCOOUCBVIIPNOR-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000702064958 809491938 /nfs/dbraw/zinc/49/19/38/809491938.db2.gz HHEOBFRXXAJZPL-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000706505503 809827574 /nfs/dbraw/zinc/82/75/74/809827574.db2.gz NLVOSDPNFDKJEW-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000709012910 809939516 /nfs/dbraw/zinc/93/95/16/809939516.db2.gz WOVMBVOSKWRKMD-ZDUSSCGKSA-N 1 0 281.331 2.437 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000710836412 809995619 /nfs/dbraw/zinc/99/56/19/809995619.db2.gz YBFMHXGLLDURCI-XYPYZODXSA-N 1 0 277.324 2.359 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000710967182 810007181 /nfs/dbraw/zinc/00/71/81/810007181.db2.gz MLFHLLHYMLJUBE-CYBMUJFWSA-N 1 0 280.324 2.144 20 5 CEBDRO C[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122367433 815405316 /nfs/dbraw/zinc/40/53/16/815405316.db2.gz BXVILNMFQQIKGL-MEBBXXQBSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000722246407 810909227 /nfs/dbraw/zinc/90/92/27/810909227.db2.gz VJCCYOCCZRUSAK-TVQRCGJNSA-N 1 0 283.759 2.288 20 5 CEBDRO Cc1cnc(NC[C@]2(F)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155114276 810981074 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CC(C)c1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001168979029 811308743 /nfs/dbraw/zinc/30/87/43/811308743.db2.gz WFNNGHGLTSTKBY-WDEREUQCSA-N 1 0 267.329 2.333 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ncoc32)C1 ZINC001168985023 811310560 /nfs/dbraw/zinc/31/05/60/811310560.db2.gz CBQHABABQHVLIS-ZYHUDNBSSA-N 1 0 275.308 2.363 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168985415 811311081 /nfs/dbraw/zinc/31/10/81/811311081.db2.gz FCMQNJBCFQDYKZ-DGCLKSJQSA-N 1 0 263.341 2.352 20 5 CEBDRO COC(=O)C1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965515 811317358 /nfs/dbraw/zinc/31/73/58/811317358.db2.gz AGGZTZRYQKSTDZ-GNRIBBGQSA-N 1 0 298.383 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC001168966849 811318170 /nfs/dbraw/zinc/31/81/70/811318170.db2.gz LQOGFZBICVHESE-DGCLKSJQSA-N 1 0 282.315 2.240 20 5 CEBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967391 811318871 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2.286 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168997751 811327412 /nfs/dbraw/zinc/32/74/12/811327412.db2.gz FKSNNAJBAFUKDU-CRWXNKLISA-N 1 0 298.383 2.143 20 5 CEBDRO CC(C)(Cc1ccncc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999083 811327424 /nfs/dbraw/zinc/32/74/24/811327424.db2.gz RUGAPGVIBJHIBX-UONOGXRCSA-N 1 0 277.368 2.438 20 5 CEBDRO Cn1ncc2c1cccc2C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002014 811327674 /nfs/dbraw/zinc/32/76/74/811327674.db2.gz JDGWTHBUAGAFQD-DGCLKSJQSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)C1 ZINC001169001140 811328184 /nfs/dbraw/zinc/32/81/84/811328184.db2.gz CTVGOIGKQNBZJE-KMUNFCNLSA-N 1 0 278.327 2.328 20 5 CEBDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(N)n1 ZINC001169006435 811332956 /nfs/dbraw/zinc/33/29/56/811332956.db2.gz IEPIZLJIRKRIAR-YWPYICTPSA-N 1 0 292.383 2.396 20 5 CEBDRO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169012287 811333774 /nfs/dbraw/zinc/33/37/74/811333774.db2.gz OYIAASCMUYNFHJ-CHWSQXEVSA-N 1 0 288.351 2.212 20 5 CEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010957 811334390 /nfs/dbraw/zinc/33/43/90/811334390.db2.gz GOSNBBCUHVSZMP-MELADBBJSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013742 811335843 /nfs/dbraw/zinc/33/58/43/811335843.db2.gz WDYQAKJFKMDZMD-KGLIPLIRSA-N 1 0 298.383 2.097 20 5 CEBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988636 811338090 /nfs/dbraw/zinc/33/80/90/811338090.db2.gz TYBLZDFLIIXXTK-MRVWCRGKSA-N 1 0 278.352 2.358 20 5 CEBDRO CCOC(=O)C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168989862 811339530 /nfs/dbraw/zinc/33/95/30/811339530.db2.gz XEZCZIJGVSFWBS-OLZOCXBDSA-N 1 0 298.383 2.287 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989339 811339785 /nfs/dbraw/zinc/33/97/85/811339785.db2.gz WENUWGLZHKUOFM-RYPNDVFKSA-N 1 0 281.400 2.037 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001169033326 811343795 /nfs/dbraw/zinc/34/37/95/811343795.db2.gz BYNMQGACBINMHT-OUAUKWLOSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001169030366 811343852 /nfs/dbraw/zinc/34/38/52/811343852.db2.gz ZBWJDVHEYUOBOD-TZMCWYRMSA-N 1 0 276.336 2.326 20 5 CEBDRO Cc1noc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039220 811348062 /nfs/dbraw/zinc/34/80/62/811348062.db2.gz OGGWSHFXRNFDQJ-AAEUAGOBSA-N 1 0 294.355 2.003 20 5 CEBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042861 811350151 /nfs/dbraw/zinc/35/01/51/811350151.db2.gz GOSNBBCUHVSZMP-MGPQQGTHSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169040250 811351483 /nfs/dbraw/zinc/35/14/83/811351483.db2.gz ZBNZQSNKEUSMJF-MJBXVCDLSA-N 1 0 298.383 2.097 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169049286 811356231 /nfs/dbraw/zinc/35/62/31/811356231.db2.gz WJKASHXWHHMTRN-JSGCOSHPSA-N 1 0 263.341 2.267 20 5 CEBDRO CC(C)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054292 811358552 /nfs/dbraw/zinc/35/85/52/811358552.db2.gz LLIVJFWEGPSBHL-HIFRSBDPSA-N 1 0 283.416 2.236 20 5 CEBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001156723909 811895227 /nfs/dbraw/zinc/89/52/27/811895227.db2.gz NSGFWRYBQBCDCY-UHFFFAOYSA-N 1 0 299.743 2.010 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001170048387 812004369 /nfs/dbraw/zinc/00/43/69/812004369.db2.gz ZMMXPUPLGWANFH-NSHDSACASA-N 1 0 287.319 2.148 20 5 CEBDRO CC(C)CCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123225235 815490094 /nfs/dbraw/zinc/49/00/94/815490094.db2.gz WLQAIGDBOZJTOK-UHFFFAOYSA-N 1 0 299.396 2.298 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CCF)c([N+](=O)[O-])c1 ZINC001170297856 812376669 /nfs/dbraw/zinc/37/66/69/812376669.db2.gz UNLKWWPTVWZNND-SECBINFHSA-N 1 0 256.277 2.094 20 5 CEBDRO CCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])COC1 ZINC001170307869 812390364 /nfs/dbraw/zinc/39/03/64/812390364.db2.gz JLMCFVHTYVSGGL-LLVKDONJSA-N 1 0 294.351 2.303 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355379 812392234 /nfs/dbraw/zinc/39/22/34/812392234.db2.gz BXERBOBEHWDKCM-YPMHNXCESA-N 1 0 294.351 2.255 20 5 CEBDRO CC(C)(O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895452 815542703 /nfs/dbraw/zinc/54/27/03/815542703.db2.gz DMWTYLORSDXMCG-CYBMUJFWSA-N 1 0 278.352 2.203 20 5 CEBDRO C[N@@H+]1CCN(c2cccc([N+](=O)[O-])n2)C2(CCCC2)C1 ZINC001158408974 812689940 /nfs/dbraw/zinc/68/99/40/812689940.db2.gz UVQPPDJNUCWWKH-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001158764269 812977442 /nfs/dbraw/zinc/97/74/42/812977442.db2.gz MXZSVECVDWQNQP-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000217844515 813429019 /nfs/dbraw/zinc/42/90/19/813429019.db2.gz FFRVXHUTVZKWRW-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170863173 813559269 /nfs/dbraw/zinc/55/92/69/813559269.db2.gz BQWJTZCYHRNAFD-JTQLQIEISA-N 1 0 293.245 2.083 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000712505155 814751869 /nfs/dbraw/zinc/75/18/69/814751869.db2.gz CEJCGXFPLQURND-UHFFFAOYSA-N 1 0 281.331 2.308 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000712571770 814767184 /nfs/dbraw/zinc/76/71/84/814767184.db2.gz YCWDKMFJAQHMCN-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC2)c1F ZINC001173176121 815616667 /nfs/dbraw/zinc/61/66/67/815616667.db2.gz YALONMYFEUWGGV-MRVPVSSYSA-N 1 0 268.288 2.426 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCO1 ZINC001173217299 815623157 /nfs/dbraw/zinc/62/31/57/815623157.db2.gz SDTLRSOSXWLLQT-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO CCOC(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215840 815623241 /nfs/dbraw/zinc/62/32/41/815623241.db2.gz FKRUGTGRXLFYPK-VXGBXAGGSA-N 1 0 294.351 2.457 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(C[NH3+])cc1=N ZINC001173216313 815623488 /nfs/dbraw/zinc/62/34/88/815623488.db2.gz IQOIAIZTDCVNNT-LLVKDONJSA-N 1 0 286.335 2.138 20 5 CEBDRO CC(C)N1CC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173218502 815624720 /nfs/dbraw/zinc/62/47/20/815624720.db2.gz PPFHCOFGJNBZCX-LBPRGKRZSA-N 1 0 277.368 2.208 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cocn1 ZINC001173219228 815624840 /nfs/dbraw/zinc/62/48/40/815624840.db2.gz ZGTGRDPJQVLPDJ-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCO1 ZINC001173217300 815624885 /nfs/dbraw/zinc/62/48/85/815624885.db2.gz SDTLRSOSXWLLQT-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC001173222855 815628005 /nfs/dbraw/zinc/62/80/05/815628005.db2.gz ZXCQAFOPMZVMOS-DDTOSNHZSA-N 1 0 278.352 2.275 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CCC[NH3+] ZINC001173225275 815629293 /nfs/dbraw/zinc/62/92/93/815629293.db2.gz JCFHWQXKYAULSY-GFCCVEGCSA-N 1 0 288.351 2.486 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001173228457 815631349 /nfs/dbraw/zinc/63/13/49/815631349.db2.gz XEOIFPFTGUVUKF-BBRMVZONSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnn(C)c1 ZINC001173234075 815634033 /nfs/dbraw/zinc/63/40/33/815634033.db2.gz MCJASWWZUFCOOA-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO CC(=O)C(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209508 815635215 /nfs/dbraw/zinc/63/52/15/815635215.db2.gz CJJLAOFEYLMBKF-JTQLQIEISA-N 1 0 264.325 2.483 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214150 815637296 /nfs/dbraw/zinc/63/72/96/815637296.db2.gz MJVHHQDGQGZHBT-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO COc1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161177418 815685328 /nfs/dbraw/zinc/68/53/28/815685328.db2.gz NZXAYZUQJFVWEI-JTQLQIEISA-N 1 0 292.339 2.037 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075215 282090273 /nfs/dbraw/zinc/09/02/73/282090273.db2.gz MICIQZCZZMYJPH-LBPRGKRZSA-N 1 0 293.367 2.030 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449132581 282112568 /nfs/dbraw/zinc/11/25/68/282112568.db2.gz AUVLAHZMECKNPF-SNVBAGLBSA-N 1 0 290.323 2.050 20 5 CEBDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995841 361802603 /nfs/dbraw/zinc/80/26/03/361802603.db2.gz ROMRIPFBOVSMED-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO CCOCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995326 361802904 /nfs/dbraw/zinc/80/29/04/361802904.db2.gz JTBIIZJKUOUIRJ-UHFFFAOYSA-N 1 0 252.314 2.419 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143282 282117468 /nfs/dbraw/zinc/11/74/68/282117468.db2.gz PXAMPHGHGGZZIK-BXUZGUMPSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449167693 282129005 /nfs/dbraw/zinc/12/90/05/282129005.db2.gz BFLHCKQCGJVPCI-OSAQELSMSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000125220760 187175125 /nfs/dbraw/zinc/17/51/25/187175125.db2.gz NYRYCWHTXPBKHU-IUODEOHRSA-N 1 0 278.352 2.230 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334744 346823641 /nfs/dbraw/zinc/82/36/41/346823641.db2.gz NBRPHVRFBAYZCO-TZMCWYRMSA-N 1 0 275.352 2.169 20 5 CEBDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780800 361856865 /nfs/dbraw/zinc/85/68/65/361856865.db2.gz HGPJGYRMEMWZKL-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037138331 361898649 /nfs/dbraw/zinc/89/86/49/361898649.db2.gz DYJSYCFFPLDIRF-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H](NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000037266986 361902796 /nfs/dbraw/zinc/90/27/96/361902796.db2.gz XEGDIYRWPPLABT-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(O)CC2)cs1 ZINC000037562481 361903877 /nfs/dbraw/zinc/90/38/77/361903877.db2.gz NSHPTTCPBMXVHG-UHFFFAOYSA-N 1 0 256.327 2.049 20 5 CEBDRO COC1CC[NH+](CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000080250585 344004871 /nfs/dbraw/zinc/00/48/71/344004871.db2.gz BZIJJHDTEPLFDS-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO CN1CC[NH+](CCCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337936052 214320602 /nfs/dbraw/zinc/32/06/02/214320602.db2.gz MCFRVOYJCDDGRM-UHFFFAOYSA-N 1 0 295.408 2.324 20 5 CEBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000038014262 361981119 /nfs/dbraw/zinc/98/11/19/361981119.db2.gz WOUSEOOBDVNPEN-VIFPVBQESA-N 1 0 285.369 2.051 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040778616 361998532 /nfs/dbraw/zinc/99/85/32/361998532.db2.gz GWTUDYYJIURATC-LBPRGKRZSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ncnn1C ZINC000449276834 282168278 /nfs/dbraw/zinc/16/82/78/282168278.db2.gz DBBDOQHFBACCGN-GHMZBOCLSA-N 1 0 289.339 2.005 20 5 CEBDRO CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155322424 529440772 /nfs/dbraw/zinc/44/07/72/529440772.db2.gz FQHPDDYPLZPGNA-ZDUSSCGKSA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000449297481 282177331 /nfs/dbraw/zinc/17/73/31/282177331.db2.gz GNJQQIMJBHMDCW-CQSZACIVSA-N 1 0 289.379 2.377 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000449309397 282182167 /nfs/dbraw/zinc/18/21/67/282182167.db2.gz AIKNVYXTJUQRFK-LBPRGKRZSA-N 1 0 278.352 2.421 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000449332990 282191033 /nfs/dbraw/zinc/19/10/33/282191033.db2.gz FNDMCRSLOVKZBV-NSHDSACASA-N 1 0 274.324 2.081 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000126041059 187212401 /nfs/dbraw/zinc/21/24/01/187212401.db2.gz QCDRAYAZJIEURL-SKDRFNHKSA-N 1 0 277.324 2.230 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000039081399 343435410 /nfs/dbraw/zinc/43/54/10/343435410.db2.gz DNAIUVGIBFCDFC-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO Cc1c(C(=O)NCCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000041926835 343444912 /nfs/dbraw/zinc/44/49/12/343444912.db2.gz LWLIXSXSHXTIKU-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000052072615 343555394 /nfs/dbraw/zinc/55/53/94/343555394.db2.gz FKEBUMOQATZPIK-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295025809 199306710 /nfs/dbraw/zinc/30/67/10/199306710.db2.gz CQDAJSFPBPINRS-CQSZACIVSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1nc(NCCCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000295028904 199309251 /nfs/dbraw/zinc/30/92/51/199309251.db2.gz VUCMNJJRPCNOCS-UHFFFAOYSA-N 1 0 293.371 2.371 20 5 CEBDRO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000127966219 187343162 /nfs/dbraw/zinc/34/31/62/187343162.db2.gz DGVKZOJBOCCSCN-LLVKDONJSA-N 1 0 291.351 2.291 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057704600 343635707 /nfs/dbraw/zinc/63/57/07/343635707.db2.gz HCTMENNPVXNUGY-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000066137494 343708283 /nfs/dbraw/zinc/70/82/83/343708283.db2.gz ZWBCBGDXOUZWID-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000063852037 343685306 /nfs/dbraw/zinc/68/53/06/343685306.db2.gz DVBPGUQVPSBDJX-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066947100 343725989 /nfs/dbraw/zinc/72/59/89/343725989.db2.gz ZXFSTHRPJZBQFB-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066947101 343726215 /nfs/dbraw/zinc/72/62/15/343726215.db2.gz ZXFSTHRPJZBQFB-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCCC1 ZINC000068996898 343778479 /nfs/dbraw/zinc/77/84/79/343778479.db2.gz BIGNVSQRQRBXID-UHFFFAOYSA-N 1 0 281.360 2.005 20 5 CEBDRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602073494 346968918 /nfs/dbraw/zinc/96/89/18/346968918.db2.gz OWGNDBUIMXATSI-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000071027573 343798790 /nfs/dbraw/zinc/79/87/90/343798790.db2.gz JACRHQBSBLQKTD-UHFFFAOYSA-N 1 0 299.246 2.021 20 5 CEBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000075677188 343862611 /nfs/dbraw/zinc/86/26/11/343862611.db2.gz JIAYVFRNPTZEFW-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000076605180 343893972 /nfs/dbraw/zinc/89/39/72/343893972.db2.gz GDVHFQMCHUDRSB-GFCCVEGCSA-N 1 0 266.345 2.378 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000048336225 362257813 /nfs/dbraw/zinc/25/78/13/362257813.db2.gz GFELWXGKPODYGH-JTQLQIEISA-N 1 0 280.324 2.144 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000078576004 343957703 /nfs/dbraw/zinc/95/77/03/343957703.db2.gz GSYVLHSDLBCRBU-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1sc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449646048 282317870 /nfs/dbraw/zinc/31/78/70/282317870.db2.gz MZPYCPLDMIUAGF-ZJUUUORDSA-N 1 0 297.380 2.212 20 5 CEBDRO Cc1cnc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000078664041 343960302 /nfs/dbraw/zinc/96/03/02/343960302.db2.gz BFRSBEONRLJVIA-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078667874 343960878 /nfs/dbraw/zinc/96/08/78/343960878.db2.gz MHKUKKRLHINCJR-CHWSQXEVSA-N 1 0 292.383 2.465 20 5 CEBDRO CCc1nn(C)c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000091733652 344171288 /nfs/dbraw/zinc/17/12/88/344171288.db2.gz NOVOTJWIGYKTHQ-QWRGUYRKSA-N 1 0 295.387 2.175 20 5 CEBDRO CC(C)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602442037 347034892 /nfs/dbraw/zinc/03/48/92/347034892.db2.gz RJIQMCOBXZANLD-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000093762569 344229080 /nfs/dbraw/zinc/22/90/80/344229080.db2.gz DEJGYCNCBBUXAQ-DGCLKSJQSA-N 1 0 292.335 2.144 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 ZINC000093992608 344233530 /nfs/dbraw/zinc/23/35/30/344233530.db2.gz TYILIFRLHHHLPQ-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000092672345 344199110 /nfs/dbraw/zinc/19/91/10/344199110.db2.gz TYEQQQIPUIUPEE-QWRGUYRKSA-N 1 0 276.340 2.335 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438856 347033392 /nfs/dbraw/zinc/03/33/92/347033392.db2.gz BNQLWCANKALZIV-JQWIXIFHSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049558802 362372941 /nfs/dbraw/zinc/37/29/41/362372941.db2.gz DIQHTCHVMHDCIV-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC2)c(Cl)c1 ZINC000131483694 344358139 /nfs/dbraw/zinc/35/81/39/344358139.db2.gz YWIBZLRZOQKJGN-VIFPVBQESA-N 1 0 256.689 2.127 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCO ZINC000121293092 344302188 /nfs/dbraw/zinc/30/21/88/344302188.db2.gz VRCJDTXQFYHRQR-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@H]1[NH3+] ZINC000122498002 344306584 /nfs/dbraw/zinc/30/65/84/344306584.db2.gz WPXPIKQPSYDSMJ-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122570590 344307085 /nfs/dbraw/zinc/30/70/85/344307085.db2.gz YBWSBCPBVGBNTA-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000123480655 344310132 /nfs/dbraw/zinc/31/01/32/344310132.db2.gz IPKQJXRQIXMMMZ-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475382 347049625 /nfs/dbraw/zinc/04/96/25/347049625.db2.gz VOOGZUQBYRSKDB-QWRGUYRKSA-N 1 0 266.345 2.339 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000162443457 344467445 /nfs/dbraw/zinc/46/74/45/344467445.db2.gz SWKUDZZOYIGHLL-UWVGGRQHSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000050162419 362407149 /nfs/dbraw/zinc/40/71/49/362407149.db2.gz YCAJRYQJUWKQIU-DGCLKSJQSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000050104487 362400883 /nfs/dbraw/zinc/40/08/83/362400883.db2.gz IFJWBDLSDNYJCA-GFCCVEGCSA-N 1 0 264.325 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CC[NH2+]C1 ZINC000236049763 344594045 /nfs/dbraw/zinc/59/40/45/344594045.db2.gz BDVRGZHJCHUCGI-QMMMGPOBSA-N 1 0 256.689 2.237 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cncn1C ZINC000289630003 344682315 /nfs/dbraw/zinc/68/23/15/344682315.db2.gz FCFPZLJTFPGHLY-GFCCVEGCSA-N 1 0 288.351 2.439 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000282336785 344676399 /nfs/dbraw/zinc/67/63/99/344676399.db2.gz BOSVYBPDQKNDSJ-HUUCEWRRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248375788 344622346 /nfs/dbraw/zinc/62/23/46/344622346.db2.gz XZIXCDPSYVNMOU-WCQYABFASA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCOC3)nc2c1 ZINC000602518433 347064271 /nfs/dbraw/zinc/06/42/71/347064271.db2.gz MRKQOWNFYUQNCS-SNVBAGLBSA-N 1 0 291.307 2.252 20 5 CEBDRO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915228 344638061 /nfs/dbraw/zinc/63/80/61/344638061.db2.gz YAQZHOSSXLACAI-WCQYABFASA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H](NCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000311950932 344736939 /nfs/dbraw/zinc/73/69/39/344736939.db2.gz LMGAPDVPAREUQF-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000313874240 344744034 /nfs/dbraw/zinc/74/40/34/344744034.db2.gz MEGHWWIAUGOCKU-LLVKDONJSA-N 1 0 295.387 2.494 20 5 CEBDRO Cc1nc(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000314646482 344746558 /nfs/dbraw/zinc/74/65/58/344746558.db2.gz YYDZCCVUXNDYRP-UHFFFAOYSA-N 1 0 291.307 2.368 20 5 CEBDRO CC1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602573630 347084072 /nfs/dbraw/zinc/08/40/72/347084072.db2.gz SXIKMZAGTWRDBT-UHFFFAOYSA-N 1 0 290.367 2.347 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401199623 344866965 /nfs/dbraw/zinc/86/69/65/344866965.db2.gz CSRQOMSRIPZDBF-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H](O)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586026 344959802 /nfs/dbraw/zinc/95/98/02/344959802.db2.gz IGBQPMPKPDCGDM-JGVFFNPUSA-N 1 0 292.257 2.473 20 5 CEBDRO CC(C)[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054128364 362513879 /nfs/dbraw/zinc/51/38/79/362513879.db2.gz URNADIUERQJEAI-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO COC1CC[NH+](CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587993812 345033150 /nfs/dbraw/zinc/03/31/50/345033150.db2.gz UQTIHAVDUDTHRE-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO C[C@]12C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590765135 345176441 /nfs/dbraw/zinc/17/64/41/345176441.db2.gz RUOOGLIGOAJYRJ-UKTARXLSSA-N 1 0 290.367 2.159 20 5 CEBDRO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590402648 345133519 /nfs/dbraw/zinc/13/35/19/345133519.db2.gz GBBDSKXJBZWWHY-YPMHNXCESA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591423608 345249813 /nfs/dbraw/zinc/24/98/13/345249813.db2.gz LRCJJTOWRBBSBF-NSHDSACASA-N 1 0 286.335 2.379 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591436866 345253773 /nfs/dbraw/zinc/25/37/73/345253773.db2.gz BZISXBKHBMIPJI-AAEUAGOBSA-N 1 0 291.351 2.182 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972486 345208894 /nfs/dbraw/zinc/20/88/94/345208894.db2.gz ZSESISSJBCAJTL-OCCSQVGLSA-N 1 0 292.335 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[NH2+]C1CC1)CCC2 ZINC000591577232 345265832 /nfs/dbraw/zinc/26/58/32/345265832.db2.gz DUKLNABTAXUAQV-HNNXBMFYSA-N 1 0 275.352 2.314 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH2+]C1CC1 ZINC000591679191 345274117 /nfs/dbraw/zinc/27/41/17/345274117.db2.gz KAEOJEYSXRFAKC-UHFFFAOYSA-N 1 0 291.351 2.002 20 5 CEBDRO [NH3+]CCCCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000592154328 345331497 /nfs/dbraw/zinc/33/14/97/345331497.db2.gz PPCKOKDYVYEANG-UHFFFAOYSA-N 1 0 293.367 2.163 20 5 CEBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000602579465 347086364 /nfs/dbraw/zinc/08/63/64/347086364.db2.gz SZRYCQVKNQWLTB-JTQLQIEISA-N 1 0 295.314 2.077 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127409483 187303243 /nfs/dbraw/zinc/30/32/43/187303243.db2.gz JBVOGTLEDPWOJC-AWEZNQCLSA-N 1 0 297.330 2.227 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593187199 345450882 /nfs/dbraw/zinc/45/08/82/345450882.db2.gz HBRYUHRXNFKSBJ-IJLUTSLNSA-N 1 0 291.351 2.148 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CCF ZINC000593718626 345526736 /nfs/dbraw/zinc/52/67/36/345526736.db2.gz NLGSQIMGMCNMMK-QWRGUYRKSA-N 1 0 270.304 2.274 20 5 CEBDRO CC[C@]1(C)CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605087 345511929 /nfs/dbraw/zinc/51/19/29/345511929.db2.gz GHADYEJIWBYSFG-CHWSQXEVSA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000594495080 345637653 /nfs/dbraw/zinc/63/76/53/345637653.db2.gz NZKISAUZEATWDC-MFKMUULPSA-N 1 0 263.341 2.122 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C/CO)C1CC1 ZINC000595066828 345738859 /nfs/dbraw/zinc/73/88/59/345738859.db2.gz FIQRKDVUWOLWOR-RDFMZFSFSA-N 1 0 276.336 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](O)C1)CCCC2 ZINC000595105778 345742711 /nfs/dbraw/zinc/74/27/11/345742711.db2.gz YOFBSAPUGOSLPJ-WHOFXGATSA-N 1 0 276.336 2.475 20 5 CEBDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594917089 345700898 /nfs/dbraw/zinc/70/08/98/345700898.db2.gz HMALWHBOKNTZDR-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594921977 345703036 /nfs/dbraw/zinc/70/30/36/345703036.db2.gz NGSVBDDZDIOZGV-NSHDSACASA-N 1 0 298.339 2.127 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594923522 345703473 /nfs/dbraw/zinc/70/34/73/345703473.db2.gz YUJVJFHXJWDCFP-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936848 345709303 /nfs/dbraw/zinc/70/93/03/345709303.db2.gz WXWCXTRZODJRRM-FPQZTECRSA-N 1 0 292.335 2.443 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000594938694 345710315 /nfs/dbraw/zinc/71/03/15/345710315.db2.gz OKCYIYBYTFYOEV-CYZMBNFOSA-N 1 0 292.335 2.190 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCO1 ZINC000594957545 345716796 /nfs/dbraw/zinc/71/67/96/345716796.db2.gz RHZUFVKRCZNSSM-RJNRQISESA-N 1 0 262.309 2.377 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988542 345722794 /nfs/dbraw/zinc/72/27/94/345722794.db2.gz QJFAFSGEMYGUDV-KGLIPLIRSA-N 1 0 276.336 2.296 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1ccnc1 ZINC000595005121 345724880 /nfs/dbraw/zinc/72/48/80/345724880.db2.gz YAMIBCHWQZRJBZ-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000595007035 345725384 /nfs/dbraw/zinc/72/53/84/345725384.db2.gz FATWQGJEWBKKEG-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](C)O ZINC000595007038 345725454 /nfs/dbraw/zinc/72/54/54/345725454.db2.gz FATWQGJEWBKKEG-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018293 345727858 /nfs/dbraw/zinc/72/78/58/345727858.db2.gz NGKTZEAOHGHPAB-PWSUYJOCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000595019563 345728063 /nfs/dbraw/zinc/72/80/63/345728063.db2.gz RGSRPWQHQOHSKA-SNVBAGLBSA-N 1 0 280.324 2.169 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388991 345772278 /nfs/dbraw/zinc/77/22/78/345772278.db2.gz JXYHUTFMQCJPCQ-VXGBXAGGSA-N 1 0 295.339 2.140 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595405171 345775265 /nfs/dbraw/zinc/77/52/65/345775265.db2.gz UXLZSXOFPBHCLH-RKDXNWHRSA-N 1 0 253.302 2.369 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595423211 345778346 /nfs/dbraw/zinc/77/83/46/345778346.db2.gz KFGRMVDGHXUPMN-LBPRGKRZSA-N 1 0 295.339 2.282 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429139 345780999 /nfs/dbraw/zinc/78/09/99/345780999.db2.gz LZPZTQNAQPPRKR-ZJUUUORDSA-N 1 0 298.314 2.411 20 5 CEBDRO COC[C@@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595438272 345782769 /nfs/dbraw/zinc/78/27/69/345782769.db2.gz FMYZPKCZVWDZOZ-LLVKDONJSA-N 1 0 283.328 2.140 20 5 CEBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513530 345801449 /nfs/dbraw/zinc/80/14/49/345801449.db2.gz VMWNDYZVWJNQAI-GXFFZTMASA-N 1 0 283.328 2.184 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000595521546 345802715 /nfs/dbraw/zinc/80/27/15/345802715.db2.gz DTZDUJUGKXJLKL-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2CCC2)CC1 ZINC000595523960 345803295 /nfs/dbraw/zinc/80/32/95/345803295.db2.gz ODPZVQOCWZLRIP-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595829891 345888351 /nfs/dbraw/zinc/88/83/51/345888351.db2.gz JISYPWGZCMPXHR-CHWSQXEVSA-N 1 0 262.309 2.063 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595836659 345892858 /nfs/dbraw/zinc/89/28/58/345892858.db2.gz XXACISQVEUYYMK-QWHCGFSZSA-N 1 0 292.335 2.072 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756455 345868421 /nfs/dbraw/zinc/86/84/21/345868421.db2.gz GFULTDXRMTWBFV-SWLSCSKDSA-N 1 0 292.335 2.072 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595812665 345883252 /nfs/dbraw/zinc/88/32/52/345883252.db2.gz YIYIGUMVXNDWSN-RYUDHWBXSA-N 1 0 289.335 2.265 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595873247 345903362 /nfs/dbraw/zinc/90/33/62/345903362.db2.gz KWGCBLJJGUSPHA-SMDDNHRTSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906850 345910697 /nfs/dbraw/zinc/91/06/97/345910697.db2.gz OLLZYHBDXHLVDV-YUSALJHKSA-N 1 0 267.304 2.027 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595932183 345914716 /nfs/dbraw/zinc/91/47/16/345914716.db2.gz MLJMAASZCRYXHC-AWEZNQCLSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@H]1CCC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174874228 232300510 /nfs/dbraw/zinc/30/05/10/232300510.db2.gz GPJDPQOQMWVZSV-RYUDHWBXSA-N 1 0 266.345 2.302 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596237101 345976625 /nfs/dbraw/zinc/97/66/25/345976625.db2.gz PYDIHSNSFHTWOG-JTQLQIEISA-N 1 0 282.344 2.228 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269549 345986267 /nfs/dbraw/zinc/98/62/67/345986267.db2.gz SGYDYMOEHWMKFW-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597075992 346124465 /nfs/dbraw/zinc/12/44/65/346124465.db2.gz NSQILFAHHGZTLS-TZMCWYRMSA-N 1 0 262.309 2.252 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000597117689 346130750 /nfs/dbraw/zinc/13/07/50/346130750.db2.gz PZUHWCYCNNWAFI-GXSJLCMTSA-N 1 0 290.323 2.128 20 5 CEBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000181080290 232398649 /nfs/dbraw/zinc/39/86/49/232398649.db2.gz IKHRMLYWHHEMNG-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602586338 347089276 /nfs/dbraw/zinc/08/92/76/347089276.db2.gz QHBHATCYPPTZCC-OAHLLOKOSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000597945008 346256063 /nfs/dbraw/zinc/25/60/63/346256063.db2.gz GIVBUNXFVLENON-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944450 346256216 /nfs/dbraw/zinc/25/62/16/346256216.db2.gz CWSKAMVCSUZAIH-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000602585329 347089439 /nfs/dbraw/zinc/08/94/39/347089439.db2.gz FKZKABUOKNVRBF-UHFFFAOYSA-N 1 0 272.308 2.285 20 5 CEBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000598682541 346400477 /nfs/dbraw/zinc/40/04/77/346400477.db2.gz OLLFDRGKXFKESW-BXUZGUMPSA-N 1 0 279.315 2.047 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221415 215021221 /nfs/dbraw/zinc/02/12/21/215021221.db2.gz BCEXSVPYOHINSD-PWSUYJOCSA-N 1 0 278.308 2.151 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000598913233 346433323 /nfs/dbraw/zinc/43/33/23/346433323.db2.gz FVIFGALCPPTMBH-NKWVEPMBSA-N 1 0 286.719 2.105 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598916616 346434004 /nfs/dbraw/zinc/43/40/04/346434004.db2.gz GNWRMTQHVCSOKY-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO Cc1sc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236704588 282476396 /nfs/dbraw/zinc/47/63/96/282476396.db2.gz BORKTCLIXGDLFZ-CYBMUJFWSA-N 1 0 299.396 2.458 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000599083859 346457940 /nfs/dbraw/zinc/45/79/40/346457940.db2.gz NBOXQERCUQMQPC-ATCWAGBWSA-N 1 0 298.346 2.139 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000602600195 347094677 /nfs/dbraw/zinc/09/46/77/347094677.db2.gz NJHMIRXNTGSIHF-KGYLQXTDSA-N 1 0 278.356 2.339 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000063218438 362763182 /nfs/dbraw/zinc/76/31/82/362763182.db2.gz QMURKYKISXKAQP-OAHLLOKOSA-N 1 0 286.331 2.288 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063195752 362758650 /nfs/dbraw/zinc/75/86/50/362758650.db2.gz BXVYUMJXRCDENM-SMDDNHRTSA-N 1 0 293.367 2.305 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(C)COC1 ZINC000599571729 346540568 /nfs/dbraw/zinc/54/05/68/346540568.db2.gz SPTTYSMHQJCOQT-UHFFFAOYSA-N 1 0 291.307 2.204 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600209113 346623552 /nfs/dbraw/zinc/62/35/52/346623552.db2.gz XFYFWXPVJAYLRG-GOEBONIOSA-N 1 0 290.363 2.498 20 5 CEBDRO C[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600677260 346671940 /nfs/dbraw/zinc/67/19/40/346671940.db2.gz BPKMYUMWZICYSJ-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000600313728 346633365 /nfs/dbraw/zinc/63/33/65/346633365.db2.gz ZKBWPBQNYOYXIM-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336807861 365843123 /nfs/dbraw/zinc/84/31/23/365843123.db2.gz AHVIVZVDFZXZOP-ZDUSSCGKSA-N 1 0 270.304 2.375 20 5 CEBDRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000600819790 346696761 /nfs/dbraw/zinc/69/67/61/346696761.db2.gz YIQVACOYJMYFDD-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO CCc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1[N+](=O)[O-] ZINC000600824173 346697256 /nfs/dbraw/zinc/69/72/56/346697256.db2.gz LFPPTTNDEXCVAR-UHFFFAOYSA-N 1 0 291.351 2.029 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601115261 346756844 /nfs/dbraw/zinc/75/68/44/346756844.db2.gz DYXYTSDZGOJMCA-LLVKDONJSA-N 1 0 282.319 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C(F)F)c(Cl)c1 ZINC000601146755 346769301 /nfs/dbraw/zinc/76/93/01/346769301.db2.gz AKGCKMJIAGQELE-SNVBAGLBSA-N 1 0 294.685 2.354 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150884 346770634 /nfs/dbraw/zinc/77/06/34/346770634.db2.gz HEYFDFQWFIMMEQ-KCJUWKMLSA-N 1 0 292.257 2.305 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601173979 346777776 /nfs/dbraw/zinc/77/77/76/346777776.db2.gz ODQJMLRQSWCXDV-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109428 346755496 /nfs/dbraw/zinc/75/54/96/346755496.db2.gz UBIXCPCNMIJYJL-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000601227578 346795594 /nfs/dbraw/zinc/79/55/94/346795594.db2.gz VMWBEERAPVPGJV-GXFFZTMASA-N 1 0 292.339 2.151 20 5 CEBDRO CC[C@](C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])OC ZINC000602659209 347127452 /nfs/dbraw/zinc/12/74/52/347127452.db2.gz JYCOVWFINHMJAP-CQSZACIVSA-N 1 0 281.356 2.175 20 5 CEBDRO Cn1cc(C[N@H+](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])n1 ZINC000602660953 347128642 /nfs/dbraw/zinc/12/86/42/347128642.db2.gz CDYSUPFYSZGMPE-UHFFFAOYSA-N 1 0 288.298 2.338 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000602780630 347195289 /nfs/dbraw/zinc/19/52/89/347195289.db2.gz BBEDMCUEFQINOE-LBPRGKRZSA-N 1 0 290.323 2.182 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000602781997 347196234 /nfs/dbraw/zinc/19/62/34/347196234.db2.gz LBYGVIWCGYQAAA-CYBMUJFWSA-N 1 0 280.372 2.468 20 5 CEBDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602826039 347214625 /nfs/dbraw/zinc/21/46/25/347214625.db2.gz VSFVXTDGJLXKDV-GXTWGEPZSA-N 1 0 278.352 2.494 20 5 CEBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829480 347216664 /nfs/dbraw/zinc/21/66/64/347216664.db2.gz JDSROHXQIYILQY-VXGBXAGGSA-N 1 0 298.412 2.364 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845196 347222546 /nfs/dbraw/zinc/22/25/46/347222546.db2.gz GEXRLWVVNKRZCY-WDEREUQCSA-N 1 0 266.345 2.243 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000603399975 347358680 /nfs/dbraw/zinc/35/86/80/347358680.db2.gz GCRWTQCOCATDNW-GHMZBOCLSA-N 1 0 295.387 2.260 20 5 CEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000604379708 347412313 /nfs/dbraw/zinc/41/23/13/347412313.db2.gz IBWOLZDNUJGKMM-GRYCIOLGSA-N 1 0 295.387 2.107 20 5 CEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000604379717 347412404 /nfs/dbraw/zinc/41/24/04/347412404.db2.gz IBWOLZDNUJGKMM-IJLUTSLNSA-N 1 0 295.387 2.107 20 5 CEBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435784 347370271 /nfs/dbraw/zinc/37/02/71/347370271.db2.gz ZFMYWULDRMUKQV-ZWKOPEQDSA-N 1 0 263.341 2.371 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000610001984 347657841 /nfs/dbraw/zinc/65/78/41/347657841.db2.gz RECMJOXHSJEZPF-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000610664930 347699658 /nfs/dbraw/zinc/69/96/58/347699658.db2.gz FJCVMQMQJWIYDB-PWSUYJOCSA-N 1 0 266.345 2.268 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000611370649 347770639 /nfs/dbraw/zinc/77/06/39/347770639.db2.gz VSAVHVAAHONNKW-VIFPVBQESA-N 1 0 255.343 2.408 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000610990591 347727443 /nfs/dbraw/zinc/72/74/43/347727443.db2.gz BYQBUCUWDMQAKI-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612134771 347848531 /nfs/dbraw/zinc/84/85/31/347848531.db2.gz CRALIIMQZZFCIC-UEEZHKSASA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000351937668 219254636 /nfs/dbraw/zinc/25/46/36/219254636.db2.gz UWQCHIFUCAAXPN-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO COCCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066378317 362862919 /nfs/dbraw/zinc/86/29/19/362862919.db2.gz RRQJMTDGUFDQTC-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066405209 362863643 /nfs/dbraw/zinc/86/36/43/362863643.db2.gz RTMAGSVRGZKXAQ-LBPRGKRZSA-N 1 0 263.341 2.293 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000351943331 219257214 /nfs/dbraw/zinc/25/72/14/219257214.db2.gz GBPPCIBVZZVIGU-QWHCGFSZSA-N 1 0 277.368 2.162 20 5 CEBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000339434696 215167687 /nfs/dbraw/zinc/16/76/87/215167687.db2.gz WMPQYRRQBQZNQF-AWEZNQCLSA-N 1 0 293.367 2.154 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000351957276 219264370 /nfs/dbraw/zinc/26/43/70/219264370.db2.gz FUKCTNKKXWVVMZ-VHSXEESVSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000616362967 348487316 /nfs/dbraw/zinc/48/73/16/348487316.db2.gz KDIRTUITARWRTG-GZMMTYOYSA-N 1 0 292.257 2.477 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC)C1 ZINC000619478942 349187227 /nfs/dbraw/zinc/18/72/27/349187227.db2.gz MNQBLFZVVGLXMD-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000089454714 179793620 /nfs/dbraw/zinc/79/36/20/179793620.db2.gz JUJUYILOUHUWLF-ZKYQVNSYSA-N 1 0 291.351 2.147 20 5 CEBDRO COc1cc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621987 215272909 /nfs/dbraw/zinc/27/29/09/215272909.db2.gz WPWMSXTWRPUGJV-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550594 180002620 /nfs/dbraw/zinc/00/26/20/180002620.db2.gz TUHMCGUINACDFL-QWHCGFSZSA-N 1 0 293.367 2.267 20 5 CEBDRO CC[NH+](CC)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691950 180024452 /nfs/dbraw/zinc/02/44/52/180024452.db2.gz JTMOMLPNKKCMQU-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411907029 233297255 /nfs/dbraw/zinc/29/72/55/233297255.db2.gz FAGBJQICIBSGJF-UBHSHLNASA-N 1 0 294.351 2.046 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)cc1 ZINC000411856013 233290286 /nfs/dbraw/zinc/29/02/86/233290286.db2.gz QLOMKDJEKFTZLD-ZDUSSCGKSA-N 1 0 268.288 2.155 20 5 CEBDRO CCc1nn(C)c(NCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000091561877 180191996 /nfs/dbraw/zinc/19/19/96/180191996.db2.gz DFEXPYATWLJYGR-UHFFFAOYSA-N 1 0 295.387 2.035 20 5 CEBDRO Cc1cc(NCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000092027201 180308644 /nfs/dbraw/zinc/30/86/44/180308644.db2.gz CWVHLLUOTDCLIZ-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO CC(C)[C@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000092395056 180376992 /nfs/dbraw/zinc/37/69/92/180376992.db2.gz HLDYRHUQOGCQHN-NSHDSACASA-N 1 0 272.732 2.355 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107692028 186186209 /nfs/dbraw/zinc/18/62/09/186186209.db2.gz YGAOKTZIFIBGAQ-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018667 186345209 /nfs/dbraw/zinc/34/52/09/186345209.db2.gz URWVKBMRHJBSTL-GXTWGEPZSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000119997746 186868029 /nfs/dbraw/zinc/86/80/29/186868029.db2.gz UHJLSOPRZZQCCQ-GXTWGEPZSA-N 1 0 293.367 2.267 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000070445254 363083015 /nfs/dbraw/zinc/08/30/15/363083015.db2.gz NYUHAAUMBXSYAN-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000291897285 198099491 /nfs/dbraw/zinc/09/94/91/198099491.db2.gz PQLQLEZLIVQKCQ-QMMMGPOBSA-N 1 0 295.368 2.209 20 5 CEBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000291900704 198100925 /nfs/dbraw/zinc/10/09/25/198100925.db2.gz PWMOXYSCGWWAJA-SNVBAGLBSA-N 1 0 297.355 2.222 20 5 CEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123683848 187104323 /nfs/dbraw/zinc/10/43/23/187104323.db2.gz CQWCCLYYAWPQAZ-DGCLKSJQSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000072986869 363189839 /nfs/dbraw/zinc/18/98/39/363189839.db2.gz ZUHMUDDBYQDERN-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000271569747 191218468 /nfs/dbraw/zinc/21/84/68/191218468.db2.gz BORGMUIFAPEQGO-UHFFFAOYSA-N 1 0 282.340 2.113 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136476630 187880537 /nfs/dbraw/zinc/88/05/37/187880537.db2.gz DJRXEOOHVBFJCS-UHFFFAOYSA-N 1 0 295.339 2.307 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCC1 ZINC000292214663 198203965 /nfs/dbraw/zinc/20/39/65/198203965.db2.gz UMELQWSXVSICQX-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000152652937 188034528 /nfs/dbraw/zinc/03/45/28/188034528.db2.gz WRBLERNRVNJKRS-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000153160903 188067781 /nfs/dbraw/zinc/06/77/81/188067781.db2.gz IBPICQGIIIDRHJ-WDEREUQCSA-N 1 0 282.340 2.273 20 5 CEBDRO COCC[N@H+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153742658 188100426 /nfs/dbraw/zinc/10/04/26/188100426.db2.gz LRWUQZLHAGKTLL-OAHLLOKOSA-N 1 0 296.367 2.233 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153804139 188104536 /nfs/dbraw/zinc/10/45/36/188104536.db2.gz QRSWMTGSVWOFKB-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000153544450 188087982 /nfs/dbraw/zinc/08/79/82/188087982.db2.gz ZFAGNHSNXBKMQR-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1[N+](=O)[O-] ZINC000154500877 188145580 /nfs/dbraw/zinc/14/55/80/188145580.db2.gz WSEUPQLSBNJJMN-UHFFFAOYSA-N 1 0 293.367 2.405 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000154618207 188154655 /nfs/dbraw/zinc/15/46/55/188154655.db2.gz XWCJNPZOJKGKBK-RISCZKNCSA-N 1 0 263.341 2.340 20 5 CEBDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099782 282892346 /nfs/dbraw/zinc/89/23/46/282892346.db2.gz NOUUBQHHNRRDCY-RYUDHWBXSA-N 1 0 293.367 2.406 20 5 CEBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489703 283007834 /nfs/dbraw/zinc/00/78/34/283007834.db2.gz CVBHGZIALPCTHE-RYUDHWBXSA-N 1 0 296.371 2.010 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000132438587 366144259 /nfs/dbraw/zinc/14/42/59/366144259.db2.gz IRKCVBBWVKLLBW-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451544150 283028057 /nfs/dbraw/zinc/02/80/57/283028057.db2.gz MJAYNHFWZPOTKO-DOMZBBRYSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000295325538 199461175 /nfs/dbraw/zinc/46/11/75/199461175.db2.gz ZFZZFXJFTBSPAC-QWRGUYRKSA-N 1 0 291.351 2.221 20 5 CEBDRO COc1cc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563670 283036324 /nfs/dbraw/zinc/03/63/24/283036324.db2.gz JYMJCNZJJRNIEI-SMDDNHRTSA-N 1 0 294.351 2.460 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778812 191320199 /nfs/dbraw/zinc/32/01/99/191320199.db2.gz KNLZXHGYWBKGGC-TZMCWYRMSA-N 1 0 296.367 2.340 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451813813 283114183 /nfs/dbraw/zinc/11/41/83/283114183.db2.gz WDLOGGGXZQTDMU-LBPRGKRZSA-N 1 0 291.307 2.251 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273521337 192185740 /nfs/dbraw/zinc/18/57/40/192185740.db2.gz YSJHFXMFXOAWQO-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273558253 192202602 /nfs/dbraw/zinc/20/26/02/192202602.db2.gz BEMLIHGLOGWTEK-LLVKDONJSA-N 1 0 293.371 2.307 20 5 CEBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+](C)C ZINC000293666354 198724010 /nfs/dbraw/zinc/72/40/10/198724010.db2.gz GBODHJWUMWETDV-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452101024 283187371 /nfs/dbraw/zinc/18/73/71/283187371.db2.gz RJYBNWXBKKBBFR-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452118966 283193705 /nfs/dbraw/zinc/19/37/05/283193705.db2.gz KFJOCIIYFWVDFA-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076343755 363538672 /nfs/dbraw/zinc/53/86/72/363538672.db2.gz ZIZJIKILOANMIV-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076344493 363538757 /nfs/dbraw/zinc/53/87/57/363538757.db2.gz PFPUJXBAKIGPOZ-AWEZNQCLSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000338349750 366311227 /nfs/dbraw/zinc/31/12/27/366311227.db2.gz HMCZBVZXRJFTSU-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000134590021 366344454 /nfs/dbraw/zinc/34/44/54/366344454.db2.gz PWIBNHSERDOHQG-LBPRGKRZSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575869967 366367599 /nfs/dbraw/zinc/36/75/99/366367599.db2.gz SRELMNZXFCTSAU-QWRGUYRKSA-N 1 0 293.367 2.114 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134980243 366381094 /nfs/dbraw/zinc/38/10/94/366381094.db2.gz VFGUXTDJEXRYPI-IUCAKERBSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294713173 199147575 /nfs/dbraw/zinc/14/75/75/199147575.db2.gz JRTRLEVTKDZLCN-QWRGUYRKSA-N 1 0 281.356 2.236 20 5 CEBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414696438 236448038 /nfs/dbraw/zinc/44/80/38/236448038.db2.gz HNVCWBZVCUWKQK-MWLCHTKSSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1c(NC(=O)NCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000414700932 236451823 /nfs/dbraw/zinc/45/18/23/236451823.db2.gz KHHJNOSWFVZIIU-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000294790517 199184738 /nfs/dbraw/zinc/18/47/38/199184738.db2.gz LYSSYBHSQGFSMM-GFCCVEGCSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@]1(C)CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000135709953 366470252 /nfs/dbraw/zinc/47/02/52/366470252.db2.gz RVJSLQKXLBFFIW-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136166188 366500201 /nfs/dbraw/zinc/50/02/01/366500201.db2.gz GMMTWNLWFKGLKV-BXUZGUMPSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890223 366528809 /nfs/dbraw/zinc/52/88/09/366528809.db2.gz VEEJPWXJLXZWLH-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1OCC[NH+]1CCCCC1 ZINC000138173737 366550450 /nfs/dbraw/zinc/55/04/50/366550450.db2.gz XESIJDHFTKMKAJ-UHFFFAOYSA-N 1 0 280.324 2.468 20 5 CEBDRO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000140456442 366560076 /nfs/dbraw/zinc/56/00/76/366560076.db2.gz HSGZGFTZLIILJC-NSHDSACASA-N 1 0 274.280 2.199 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000148476852 366581519 /nfs/dbraw/zinc/58/15/19/366581519.db2.gz JDZPEVAFYGWIGV-UHFFFAOYSA-N 1 0 298.346 2.312 20 5 CEBDRO CC(C)[C@@](C)(NCc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000297637033 200248029 /nfs/dbraw/zinc/24/80/29/200248029.db2.gz MLAAOKQLDDTISL-CYBMUJFWSA-N 1 0 299.758 2.238 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000151916498 366675552 /nfs/dbraw/zinc/67/55/52/366675552.db2.gz YPRDLMVVXHRVSQ-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO CCN1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337667 283530234 /nfs/dbraw/zinc/53/02/34/283530234.db2.gz ZRIGWMVVYAPXHX-VXGBXAGGSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H]([NH2+]CCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341872674 216133894 /nfs/dbraw/zinc/13/38/94/216133894.db2.gz HFNOVEHZEOMJAP-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177054247 189024891 /nfs/dbraw/zinc/02/48/91/189024891.db2.gz CWSMXOBMZDXFFD-ONGXEEELSA-N 1 0 297.380 2.115 20 5 CEBDRO O=C(CC[NH2+][C@@H]1C[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000571434090 299310377 /nfs/dbraw/zinc/31/03/77/299310377.db2.gz SIRNZEXELYFVHY-WCQYABFASA-N 1 0 289.335 2.312 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298731186 200518507 /nfs/dbraw/zinc/51/85/07/200518507.db2.gz SXZHRVKCLOUKFZ-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178360484 189110030 /nfs/dbraw/zinc/11/00/30/189110030.db2.gz OGPOKJDSYSKEIA-LBPRGKRZSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000179872905 189225410 /nfs/dbraw/zinc/22/54/10/189225410.db2.gz SPGUKMDXQQAABR-IAQYHMDHSA-N 1 0 291.351 2.304 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)C(C)C ZINC000342220868 216266315 /nfs/dbraw/zinc/26/63/15/216266315.db2.gz KIXIVMAVDOOYBJ-ZDUSSCGKSA-N 1 0 266.341 2.257 20 5 CEBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301261350 200955785 /nfs/dbraw/zinc/95/57/85/200955785.db2.gz GXUFKWAIDGEPJI-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301616935 201096863 /nfs/dbraw/zinc/09/68/63/201096863.db2.gz CGJOOINEYYABIC-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340204998 366803678 /nfs/dbraw/zinc/80/36/78/366803678.db2.gz RJVXRUCVYLZTKF-QWHCGFSZSA-N 1 0 281.381 2.077 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301749293 201173511 /nfs/dbraw/zinc/17/35/11/201173511.db2.gz TUKUBAQRUWKSLB-UHFFFAOYSA-N 1 0 272.736 2.443 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302043915 201315692 /nfs/dbraw/zinc/31/56/92/201315692.db2.gz XFVKRYWBBZMBBC-VIFPVBQESA-N 1 0 255.343 2.410 20 5 CEBDRO Cc1cc(NCc2ncn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302092575 201340432 /nfs/dbraw/zinc/34/04/32/201340432.db2.gz QGHPULPXOFJTCJ-UHFFFAOYSA-N 1 0 298.306 2.192 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000572000591 299338552 /nfs/dbraw/zinc/33/85/52/299338552.db2.gz JRXDKDNSICFVND-VHSXEESVSA-N 1 0 280.328 2.151 20 5 CEBDRO CCOCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000093317622 364163354 /nfs/dbraw/zinc/16/33/54/364163354.db2.gz ZIILEDLQOCUWPQ-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1C ZINC000189427701 189533915 /nfs/dbraw/zinc/53/39/15/189533915.db2.gz KJYXQXWBYNOLBB-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1[N+](=O)[O-] ZINC000093479722 364190382 /nfs/dbraw/zinc/19/03/82/364190382.db2.gz LKHZTHDZURQOCP-MZBDJJRSSA-N 1 0 290.363 2.496 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000093873552 364237053 /nfs/dbraw/zinc/23/70/53/364237053.db2.gz XHEXHNXLHCOGDN-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094801752 364297349 /nfs/dbraw/zinc/29/73/49/364297349.db2.gz XGZPNVGJPJUIGB-AWEZNQCLSA-N 1 0 264.325 2.296 20 5 CEBDRO CCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581938872 366838586 /nfs/dbraw/zinc/83/85/86/366838586.db2.gz YNLZNKKKKIZZJY-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581990767 366845967 /nfs/dbraw/zinc/84/59/67/366845967.db2.gz MFMBQVCFNMVYQB-CYBMUJFWSA-N 1 0 277.368 2.326 20 5 CEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112379442 364802912 /nfs/dbraw/zinc/80/29/12/364802912.db2.gz WINXGDGIGCXMPU-BXUZGUMPSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[NH+](CC)CCCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000114709061 364960149 /nfs/dbraw/zinc/96/01/49/364960149.db2.gz IHNANHLYHVJQGY-UHFFFAOYSA-N 1 0 283.376 2.171 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843450 365184185 /nfs/dbraw/zinc/18/41/85/365184185.db2.gz INARGOGQBXSTMV-NSHDSACASA-N 1 0 283.397 2.430 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccnc3)C2)nc1 ZINC000118867096 365187376 /nfs/dbraw/zinc/18/73/76/365187376.db2.gz YBEMBHJCXDVYLT-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO C[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000119286797 365246552 /nfs/dbraw/zinc/24/65/52/365246552.db2.gz DMJAETCUVMWORF-SCRDCRAPSA-N 1 0 293.367 2.171 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1ccnc1 ZINC000582132112 366868155 /nfs/dbraw/zinc/86/81/55/366868155.db2.gz BAAOAALUVUDBGH-CYBMUJFWSA-N 1 0 272.308 2.068 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119865743 365337318 /nfs/dbraw/zinc/33/73/18/365337318.db2.gz LPAFFZMTHIAYDN-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO C[NH+]1CCC(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000120220773 365390875 /nfs/dbraw/zinc/39/08/75/365390875.db2.gz FAGVCJNLDOENLK-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275853920 193148166 /nfs/dbraw/zinc/14/81/66/193148166.db2.gz LQAFCCVHBKBBPP-CTYIDZIISA-N 1 0 278.352 2.373 20 5 CEBDRO CC[C@H](Cn1cncn1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000340508422 366913319 /nfs/dbraw/zinc/91/33/19/366913319.db2.gz UQIBRFBKSZWFON-CYBMUJFWSA-N 1 0 289.339 2.063 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159627432 366934636 /nfs/dbraw/zinc/93/46/36/366934636.db2.gz IIBHILGGTNGULJ-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000582772230 366955905 /nfs/dbraw/zinc/95/59/05/366955905.db2.gz VSWNCADSJZYCIR-SNVBAGLBSA-N 1 0 294.330 2.049 20 5 CEBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C ZINC000340919344 367088784 /nfs/dbraw/zinc/08/87/84/367088784.db2.gz RRZIAZYKHYCQOG-LBPRGKRZSA-N 1 0 296.371 2.019 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341204050 367219536 /nfs/dbraw/zinc/21/95/36/367219536.db2.gz OZDGQHZCVBYSMF-JQWIXIFHSA-N 1 0 292.339 2.199 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597922507 367209667 /nfs/dbraw/zinc/20/96/67/367209667.db2.gz FEDFCVCWNIFRBJ-LLVKDONJSA-N 1 0 291.351 2.197 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721530 367499357 /nfs/dbraw/zinc/49/93/57/367499357.db2.gz NKKKWSPZEQZCLT-ABAIWWIYSA-N 1 0 294.351 2.460 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000171823982 367622245 /nfs/dbraw/zinc/62/22/45/367622245.db2.gz YJAIUMOSJWDDAM-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@@H]1CSCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000172591939 367783113 /nfs/dbraw/zinc/78/31/13/367783113.db2.gz GTTUNUVWANSRJY-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343520120 367860377 /nfs/dbraw/zinc/86/03/77/367860377.db2.gz LFTFQYMAEVCEEY-RISCZKNCSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCC3)C2)nc1 ZINC000173464031 367912021 /nfs/dbraw/zinc/91/20/21/367912021.db2.gz RVDFRCBXEXURCR-LBPRGKRZSA-N 1 0 276.340 2.276 20 5 CEBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000343627324 367926448 /nfs/dbraw/zinc/92/64/48/367926448.db2.gz JAGCFQVNLSXGKI-SNVBAGLBSA-N 1 0 254.334 2.206 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346081 367901171 /nfs/dbraw/zinc/90/11/71/367901171.db2.gz IBZPLINGSPAJEM-DOMZBBRYSA-N 1 0 296.367 2.279 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828661 368498423 /nfs/dbraw/zinc/49/84/23/368498423.db2.gz QTLBYIPYOQLWID-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198706 370948541 /nfs/dbraw/zinc/94/85/41/370948541.db2.gz YVRAPFGZEOJQJG-NWDGAFQWSA-N 1 0 282.340 2.297 20 5 CEBDRO O=C(c1csc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186555629 368995186 /nfs/dbraw/zinc/99/51/86/368995186.db2.gz PSVSAOWERKGCMN-JTQLQIEISA-N 1 0 295.364 2.013 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(Cl)c1 ZINC000188847305 369417771 /nfs/dbraw/zinc/41/77/71/369417771.db2.gz ROQKPGDXDRDZKC-JOYOIKCWSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000351510458 369637943 /nfs/dbraw/zinc/63/79/43/369637943.db2.gz RBEOBELVRXMEAC-NEPJUHHUSA-N 1 0 263.341 2.432 20 5 CEBDRO CO[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000190931166 369662507 /nfs/dbraw/zinc/66/25/07/369662507.db2.gz IWZBWTHAUYXRQO-UWVGGRQHSA-N 1 0 256.327 2.313 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352667186 369824544 /nfs/dbraw/zinc/82/45/44/369824544.db2.gz JGRBMMZNNTWEAL-JSGCOSHPSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000352671724 369829255 /nfs/dbraw/zinc/82/92/55/369829255.db2.gz JXTUEHGZJPHSLV-SNVBAGLBSA-N 1 0 299.321 2.399 20 5 CEBDRO COc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352881322 369929932 /nfs/dbraw/zinc/92/99/32/369929932.db2.gz IYZJFKNOZOXFJY-AWEZNQCLSA-N 1 0 282.340 2.100 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000352901608 369942332 /nfs/dbraw/zinc/94/23/32/369942332.db2.gz XVYJQMLZIRBMSE-UHFFFAOYSA-N 1 0 280.324 2.274 20 5 CEBDRO COc1cc(NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000213841292 370170631 /nfs/dbraw/zinc/17/06/31/370170631.db2.gz VHUSBLZRGXWTHC-UHFFFAOYSA-N 1 0 295.339 2.120 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000217370929 370195192 /nfs/dbraw/zinc/19/51/92/370195192.db2.gz AYGJAODVMGUAOS-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000354070140 370204241 /nfs/dbraw/zinc/20/42/41/370204241.db2.gz BFOOBGCWZAFTHF-LLVKDONJSA-N 1 0 278.356 2.156 20 5 CEBDRO C[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000225782055 370318264 /nfs/dbraw/zinc/31/82/64/370318264.db2.gz OHLRQQNBAKWVHX-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354352553 370328406 /nfs/dbraw/zinc/32/84/06/370328406.db2.gz IFYRDTWNMMIYHI-RYUDHWBXSA-N 1 0 278.356 2.299 20 5 CEBDRO Cc1cc(NCC[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228443879 370403642 /nfs/dbraw/zinc/40/36/42/370403642.db2.gz YSDOXRCDZHLFSB-UHFFFAOYSA-N 1 0 274.324 2.425 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000232871692 370513906 /nfs/dbraw/zinc/51/39/06/370513906.db2.gz PBRQZIQYWNMIGF-CYBMUJFWSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000231856172 370496503 /nfs/dbraw/zinc/49/65/03/370496503.db2.gz BUYSMPWLJYJTGU-HNNXBMFYSA-N 1 0 291.351 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000236247273 370585724 /nfs/dbraw/zinc/58/57/24/370585724.db2.gz MVICCQZXZBTJHC-OCCSQVGLSA-N 1 0 280.299 2.391 20 5 CEBDRO CC(C)[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236742999 370617881 /nfs/dbraw/zinc/61/78/81/370617881.db2.gz RADMHVQLZKCMDI-AWEZNQCLSA-N 1 0 293.367 2.017 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000250886328 371393665 /nfs/dbraw/zinc/39/36/65/371393665.db2.gz JFFNUFNEHBYEIE-LBPRGKRZSA-N 1 0 279.315 2.014 20 5 CEBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000359220208 371381461 /nfs/dbraw/zinc/38/14/61/371381461.db2.gz OGAFCGZHGBPNKC-GFCCVEGCSA-N 1 0 265.313 2.182 20 5 CEBDRO CC[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+]1CCCC1 ZINC000360966351 371569055 /nfs/dbraw/zinc/56/90/55/371569055.db2.gz PBVOTEXBGPVFQW-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000255361182 371579981 /nfs/dbraw/zinc/57/99/81/371579981.db2.gz VJLQIYHMRCGOPK-DAXSKMNVSA-N 1 0 286.335 2.437 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261597190 371671645 /nfs/dbraw/zinc/67/16/45/371671645.db2.gz OVEUPOFLFDTAHO-LBPRGKRZSA-N 1 0 267.304 2.047 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261703322 371706807 /nfs/dbraw/zinc/70/68/07/371706807.db2.gz IQZDYAYORROQRM-IUODEOHRSA-N 1 0 275.352 2.341 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000361259051 371743993 /nfs/dbraw/zinc/74/39/93/371743993.db2.gz AKDIJQVAOATFQD-SFYZADRCSA-N 1 0 294.336 2.371 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000361372322 371813625 /nfs/dbraw/zinc/81/36/25/371813625.db2.gz MPURUYYQGGUSKD-WDEREUQCSA-N 1 0 250.298 2.377 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000267221062 372061485 /nfs/dbraw/zinc/06/14/85/372061485.db2.gz NTXQTVIZVYTIKC-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701938 372185497 /nfs/dbraw/zinc/18/54/97/372185497.db2.gz BUGSPRSTWAFZPI-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344331886 217154893 /nfs/dbraw/zinc/15/48/93/217154893.db2.gz XSQVXIDWCZBQCE-RISCZKNCSA-N 1 0 263.341 2.167 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000269129494 372350481 /nfs/dbraw/zinc/35/04/81/372350481.db2.gz UZVJTJXGKIHVRE-GXFFZTMASA-N 1 0 279.340 2.064 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000269129496 372351206 /nfs/dbraw/zinc/35/12/06/372351206.db2.gz UZVJTJXGKIHVRE-ZWNOBZJWSA-N 1 0 279.340 2.064 20 5 CEBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000344371185 217172099 /nfs/dbraw/zinc/17/20/99/217172099.db2.gz BSBJSIZZHPNGND-LLVKDONJSA-N 1 0 256.327 2.173 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000269658271 372522870 /nfs/dbraw/zinc/52/28/70/372522870.db2.gz NSPMBMGRLJJJSE-CYBMUJFWSA-N 1 0 266.341 2.434 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000269720824 372546976 /nfs/dbraw/zinc/54/69/76/372546976.db2.gz UKSRJUOJJUXYQQ-WCQYABFASA-N 1 0 264.325 2.330 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270063022 372652964 /nfs/dbraw/zinc/65/29/64/372652964.db2.gz HFVKDBPJXZBVIM-GHMZBOCLSA-N 1 0 270.354 2.249 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270107103 372667384 /nfs/dbraw/zinc/66/73/84/372667384.db2.gz MBXBAKZUHQXINV-JSGCOSHPSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270104928 372667916 /nfs/dbraw/zinc/66/79/16/372667916.db2.gz LRJVKJBYNQAVKX-UKRRQHHQSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)(C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335371 372730730 /nfs/dbraw/zinc/73/07/30/372730730.db2.gz ILTGTKGYBXYARW-LLVKDONJSA-N 1 0 266.345 2.474 20 5 CEBDRO CN(C)C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270725642 372920852 /nfs/dbraw/zinc/92/08/52/372920852.db2.gz FKTQXKWEBDQHOV-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC1 ZINC000344811667 217318571 /nfs/dbraw/zinc/31/85/71/217318571.db2.gz MKYKACUTAUZNEU-YLBKJLTLSA-N 1 0 262.309 2.377 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272097105 373303489 /nfs/dbraw/zinc/30/34/89/373303489.db2.gz KSVHGRCITBEHDA-LLVKDONJSA-N 1 0 279.340 2.112 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3cscn3)C2)c1 ZINC000369008720 373312209 /nfs/dbraw/zinc/31/22/09/373312209.db2.gz LJAKNCJOCLQXHI-NSHDSACASA-N 1 0 293.352 2.085 20 5 CEBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272829794 373672162 /nfs/dbraw/zinc/67/21/62/373672162.db2.gz YGVVLQKJENPXCO-SECBINFHSA-N 1 0 295.364 2.037 20 5 CEBDRO Nc1ccc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000370589373 373690791 /nfs/dbraw/zinc/69/07/91/373690791.db2.gz PKWXRSKENLTOTF-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000370735900 373731627 /nfs/dbraw/zinc/73/16/27/373731627.db2.gz DALYQRYXJYHRCE-AWEZNQCLSA-N 1 0 262.309 2.350 20 5 CEBDRO O=C1OCCC12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000371159853 373803192 /nfs/dbraw/zinc/80/31/92/373803192.db2.gz HEGLHKGFZIMQON-UHFFFAOYSA-N 1 0 290.319 2.124 20 5 CEBDRO Cc1c(CN2CC[NH2+][C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000379440133 321825355 /nfs/dbraw/zinc/82/53/55/321825355.db2.gz QWKRWIWZUOKTHI-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998691 374120120 /nfs/dbraw/zinc/12/01/20/374120120.db2.gz GAIWUEYRQQDBLV-SWLSCSKDSA-N 1 0 277.368 2.367 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276836376 374320515 /nfs/dbraw/zinc/32/05/15/374320515.db2.gz BOWONQJIDLDWBS-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276854726 374324852 /nfs/dbraw/zinc/32/48/52/374324852.db2.gz FGJVAUDXQXBKCV-GXTWGEPZSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276856132 374327288 /nfs/dbraw/zinc/32/72/88/374327288.db2.gz FRLYINIGOONSKN-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631170 374586138 /nfs/dbraw/zinc/58/61/38/374586138.db2.gz YYZUNGBFPKIWTC-ONGXEEELSA-N 1 0 291.307 2.251 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277991046 374700352 /nfs/dbraw/zinc/70/03/52/374700352.db2.gz UOJCGRGRJDZXAZ-ZWNOBZJWSA-N 1 0 250.298 2.109 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377480766 374862651 /nfs/dbraw/zinc/86/26/51/374862651.db2.gz FKOGVDQAYWZMDS-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000381825844 375180088 /nfs/dbraw/zinc/18/00/88/375180088.db2.gz WVSZUWSAUNEIED-PHDIDXHHSA-N 1 0 278.234 2.156 20 5 CEBDRO COc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382453211 375186452 /nfs/dbraw/zinc/18/64/52/375186452.db2.gz HDIMOFIYXJDKGT-NXEZZACHSA-N 1 0 265.313 2.285 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000382425279 375186515 /nfs/dbraw/zinc/18/65/15/375186515.db2.gz MEUCPLMIZYUORT-NEPJUHHUSA-N 1 0 286.335 2.247 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000408001489 375391941 /nfs/dbraw/zinc/39/19/41/375391941.db2.gz ANDHYRMVTHUKAJ-NWDGAFQWSA-N 1 0 278.356 2.483 20 5 CEBDRO CCOC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343621 375461308 /nfs/dbraw/zinc/46/13/08/375461308.db2.gz CAWJRLYPYFKRBP-LLVKDONJSA-N 1 0 280.324 2.021 20 5 CEBDRO CC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286232526 375879989 /nfs/dbraw/zinc/87/99/89/375879989.db2.gz DRVNGJRGLGDXTL-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414667385 375907805 /nfs/dbraw/zinc/90/78/05/375907805.db2.gz XPMXBDPJCGICEK-QWRGUYRKSA-N 1 0 292.339 2.117 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286572954 376000596 /nfs/dbraw/zinc/00/05/96/376000596.db2.gz GIHNAEIWEZZMAY-UHFFFAOYSA-N 1 0 278.356 2.098 20 5 CEBDRO CC(=O)c1cc(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000287036161 376134036 /nfs/dbraw/zinc/13/40/36/376134036.db2.gz WGQNEGZOZRYIBC-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)s1 ZINC000287853941 376329403 /nfs/dbraw/zinc/32/94/03/376329403.db2.gz SEJCJCJOILALPS-UHFFFAOYSA-N 1 0 268.342 2.092 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000263689082 190073345 /nfs/dbraw/zinc/07/33/45/190073345.db2.gz JMBDQWDCKSXNMA-JTQLQIEISA-N 1 0 250.298 2.445 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000289943660 376571867 /nfs/dbraw/zinc/57/18/67/376571867.db2.gz WZUVXOWLOVFSTD-GFCCVEGCSA-N 1 0 265.357 2.413 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000311872549 376691264 /nfs/dbraw/zinc/69/12/64/376691264.db2.gz LWVVBUAFMXCYND-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145453 376764801 /nfs/dbraw/zinc/76/48/01/376764801.db2.gz KEALKHBPXXBKIX-STQMWFEESA-N 1 0 293.342 2.450 20 5 CEBDRO C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145680 377047371 /nfs/dbraw/zinc/04/73/71/377047371.db2.gz LZAVDKMQHARWRZ-OBJOEFQTSA-N 1 0 293.367 2.012 20 5 CEBDRO CC(C)C[C@H](CN)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259205 377179518 /nfs/dbraw/zinc/17/95/18/377179518.db2.gz DGBQQJQCUWKQBD-GXTWGEPZSA-N 1 0 279.384 2.489 20 5 CEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330556552 377182513 /nfs/dbraw/zinc/18/25/13/377182513.db2.gz WEAVSTRDPFJVTJ-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000330563147 377185611 /nfs/dbraw/zinc/18/56/11/377185611.db2.gz JWBRSHATNCCOIN-FZMZJTMJSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000278150375 193845327 /nfs/dbraw/zinc/84/53/27/193845327.db2.gz ACKIYZWQTGLMNM-JTQLQIEISA-N 1 0 290.323 2.188 20 5 CEBDRO CC[C@@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313393 377243314 /nfs/dbraw/zinc/24/33/14/377243314.db2.gz FRKSBWZTQIVNES-ZIAGYGMSSA-N 1 0 263.341 2.373 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000563545786 377247662 /nfs/dbraw/zinc/24/76/62/377247662.db2.gz QMWXWEHTJZMPRP-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327391 377260784 /nfs/dbraw/zinc/26/07/84/377260784.db2.gz RKRJQHZVDRJGQZ-MFKMUULPSA-N 1 0 293.367 2.381 20 5 CEBDRO CO[C@@H]1C[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000331098822 377281539 /nfs/dbraw/zinc/28/15/39/377281539.db2.gz DWYCCENDWFDHQB-KCPJHIHWSA-N 1 0 294.351 2.310 20 5 CEBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000563731941 377286285 /nfs/dbraw/zinc/28/62/85/377286285.db2.gz NZKISAUZEATWDC-GXFFZTMASA-N 1 0 263.341 2.122 20 5 CEBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000292828951 377302333 /nfs/dbraw/zinc/30/23/33/377302333.db2.gz XQHHDVOXIREPJC-LBPRGKRZSA-N 1 0 293.367 2.237 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](C2CCC2)CC1 ZINC000264954075 190147423 /nfs/dbraw/zinc/14/74/23/190147423.db2.gz COSJBWXDUUXAHI-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000564665993 377427780 /nfs/dbraw/zinc/42/77/80/377427780.db2.gz CJWWNPXPCYEBOI-HNNXBMFYSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264975920 190148780 /nfs/dbraw/zinc/14/87/80/190148780.db2.gz SEIFUAITYMWZKP-SECBINFHSA-N 1 0 293.348 2.189 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCCCCC1 ZINC000331417569 377419601 /nfs/dbraw/zinc/41/96/01/377419601.db2.gz HEOATMYLSYBBRW-UHFFFAOYSA-N 1 0 266.345 2.483 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000332200516 377539467 /nfs/dbraw/zinc/53/94/67/377539467.db2.gz DESNSXYSQRITRX-KCQAQPDRSA-N 1 0 276.336 2.188 20 5 CEBDRO CCCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000430950716 377570332 /nfs/dbraw/zinc/57/03/32/377570332.db2.gz RZWKCXZCTGSNBS-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C[NH3+] ZINC000430923689 377568068 /nfs/dbraw/zinc/56/80/68/377568068.db2.gz GADGUNWDFGHFPK-LLVKDONJSA-N 1 0 281.356 2.161 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000294174520 377927530 /nfs/dbraw/zinc/92/75/30/377927530.db2.gz JEPYZAWGELYFFM-PHIMTYICSA-N 1 0 292.339 2.151 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295401658 378139199 /nfs/dbraw/zinc/13/91/99/378139199.db2.gz RMUWASCGJYGETJ-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@]1(F)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295325300 378106695 /nfs/dbraw/zinc/10/66/95/378106695.db2.gz GWYCXIWEQZNVFW-KBPBESRZSA-N 1 0 282.315 2.452 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC2)n1 ZINC000447506996 378110699 /nfs/dbraw/zinc/11/06/99/378110699.db2.gz GAJCJUJJFDJKOR-GHMZBOCLSA-N 1 0 250.302 2.027 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000449780828 378230444 /nfs/dbraw/zinc/23/04/44/378230444.db2.gz VYFANUKHNMBZFZ-IINYFYTJSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1nc(N(CC[NH+](C)C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000450498743 378451346 /nfs/dbraw/zinc/45/13/46/378451346.db2.gz HZHXEALHNXQHAK-UHFFFAOYSA-N 1 0 293.371 2.004 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CC(F)(F)C1)CC2 ZINC000450700407 378538012 /nfs/dbraw/zinc/53/80/12/378538012.db2.gz ZFPCAASERAYWBJ-UHFFFAOYSA-N 1 0 283.278 2.393 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296759326 378639083 /nfs/dbraw/zinc/63/90/83/378639083.db2.gz QIBBQTMZMAEGIQ-JTQLQIEISA-N 1 0 266.297 2.008 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000347031187 218097796 /nfs/dbraw/zinc/09/77/96/218097796.db2.gz YIFJVCCCLDXZGC-HNNXBMFYSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037946 218099911 /nfs/dbraw/zinc/09/99/11/218099911.db2.gz GEMJYPIWPBPIMG-JSGCOSHPSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000299392156 378980493 /nfs/dbraw/zinc/98/04/93/378980493.db2.gz VGEJUOFNSVUZAU-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO CCC[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000299406831 378985513 /nfs/dbraw/zinc/98/55/13/378985513.db2.gz YBVXMDGRXMITHZ-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO [NH3+]C[C@@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347114077 218126672 /nfs/dbraw/zinc/12/66/72/218126672.db2.gz RYGJBVQEBDADPW-RJNRQISESA-N 1 0 261.325 2.031 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)C1CC1 ZINC000347351292 218200964 /nfs/dbraw/zinc/20/09/64/218200964.db2.gz DSIRNTGHBSHUFL-FMIVXFBMSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000515483316 379223634 /nfs/dbraw/zinc/22/36/34/379223634.db2.gz KVZIDGCSMICWSH-GFCCVEGCSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302181410 379328645 /nfs/dbraw/zinc/32/86/45/379328645.db2.gz ZRBUNKUEYAYATH-TUAOUCFPSA-N 1 0 293.371 2.163 20 5 CEBDRO CO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000266642696 190273125 /nfs/dbraw/zinc/27/31/25/190273125.db2.gz UTSLEUAEXRHLAC-SNVBAGLBSA-N 1 0 258.343 2.417 20 5 CEBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000303989136 379505865 /nfs/dbraw/zinc/50/58/65/379505865.db2.gz KLMBZFQTRBUPMJ-LLVKDONJSA-N 1 0 252.314 2.186 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999212 190296251 /nfs/dbraw/zinc/29/62/51/190296251.db2.gz CDTYFMPHRXJYLS-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000305269916 379701463 /nfs/dbraw/zinc/70/14/63/379701463.db2.gz XMBRIUYDOMAIEC-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305249081 379697334 /nfs/dbraw/zinc/69/73/34/379697334.db2.gz IRPBTUXIUILYMT-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000267182171 190309273 /nfs/dbraw/zinc/30/92/73/190309273.db2.gz BVIVETQHOXMBTN-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355335976 296304631 /nfs/dbraw/zinc/30/46/31/296304631.db2.gz CQUBIEXUTCWVSQ-SNVBAGLBSA-N 1 0 252.318 2.093 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000347914950 218398280 /nfs/dbraw/zinc/39/82/80/218398280.db2.gz OERQLBGSNSQWPO-LBPRGKRZSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481198 380253385 /nfs/dbraw/zinc/25/33/85/380253385.db2.gz WOVUVLPZFHWXDE-STQMWFEESA-N 1 0 294.351 2.441 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(C)CCCC1 ZINC000489836219 380216769 /nfs/dbraw/zinc/21/67/69/380216769.db2.gz AXFMGDPFHUJIDS-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891205 380286338 /nfs/dbraw/zinc/28/63/38/380286338.db2.gz WQFRKPCXRLDEMU-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[C@@H]([NH2+]CCCC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000268804716 190434733 /nfs/dbraw/zinc/43/47/33/190434733.db2.gz HCIHDXWRBRMFEN-CYBMUJFWSA-N 1 0 279.340 2.162 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000548424407 380515093 /nfs/dbraw/zinc/51/50/93/380515093.db2.gz FDVDMYVGGQABSY-PHIMTYICSA-N 1 0 250.298 2.456 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847725 380708034 /nfs/dbraw/zinc/70/80/34/380708034.db2.gz OZMYRMZEHMHGHY-GJZGRUSLSA-N 1 0 294.351 2.244 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235348 194344905 /nfs/dbraw/zinc/34/49/05/194344905.db2.gz FFSIAEVOWHYFQR-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280300684 194789929 /nfs/dbraw/zinc/78/99/29/194789929.db2.gz OEGJRWCHEOTQHR-SMDDNHRTSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000298746401 285096018 /nfs/dbraw/zinc/09/60/18/285096018.db2.gz RZBPDMGWDMBGJA-UHFFFAOYSA-N 1 0 279.315 2.266 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000302794092 285118883 /nfs/dbraw/zinc/11/88/83/285118883.db2.gz IAUFYSQBDPQAHN-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000302823453 285118957 /nfs/dbraw/zinc/11/89/57/285118957.db2.gz UTMTZBDGXNJYPK-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO CC[C@H](C)N(CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433735 195238807 /nfs/dbraw/zinc/23/88/07/195238807.db2.gz ZSUSFOPKAFKYDF-NSHDSACASA-N 1 0 280.324 2.368 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146200 533550734 /nfs/dbraw/zinc/55/07/34/533550734.db2.gz XVNCKOZJKQEGSU-QWRGUYRKSA-N 1 0 294.355 2.082 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000192044852 130358302 /nfs/dbraw/zinc/35/83/02/130358302.db2.gz WGJFORXGDXFFRO-VXGBXAGGSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237475322 131035033 /nfs/dbraw/zinc/03/50/33/131035033.db2.gz YLHSVJAPOKULGC-WCBMZHEXSA-N 1 0 297.380 2.164 20 5 CEBDRO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261870245 131175148 /nfs/dbraw/zinc/17/51/48/131175148.db2.gz XUGIUVBPPRMSQK-SCDSUCTJSA-N 1 0 291.351 2.290 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(OC(C)(C)C)C1 ZINC000421020056 394466728 /nfs/dbraw/zinc/46/67/28/394466728.db2.gz YNSDYFSNLMAFBE-UHFFFAOYSA-N 1 0 296.371 2.069 20 5 CEBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000413346867 394531300 /nfs/dbraw/zinc/53/13/00/394531300.db2.gz JDGYYDNTOONEBF-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311994888 394539496 /nfs/dbraw/zinc/53/94/96/394539496.db2.gz OZYBUFTTYXEWDF-BXUZGUMPSA-N 1 0 263.341 2.012 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049558654 394549853 /nfs/dbraw/zinc/54/98/53/394549853.db2.gz YZYPZKRHIUSYLH-SECBINFHSA-N 1 0 282.300 2.255 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405772 394639433 /nfs/dbraw/zinc/63/94/33/394639433.db2.gz IRINLVXCLMIAHI-DOMZBBRYSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000268178391 394691210 /nfs/dbraw/zinc/69/12/10/394691210.db2.gz MYCLKMLOANPXEB-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268952321 394703799 /nfs/dbraw/zinc/70/37/99/394703799.db2.gz SUECFKUKTZAGAD-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414112197 394705881 /nfs/dbraw/zinc/70/58/81/394705881.db2.gz MWXOTSFZCRPZFL-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H](CC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414892174 394791213 /nfs/dbraw/zinc/79/12/13/394791213.db2.gz WSSVUBPRWLHRLS-MRVPVSSYSA-N 1 0 289.282 2.023 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@@H]12 ZINC000360210205 394793299 /nfs/dbraw/zinc/79/32/99/394793299.db2.gz VNGCOCDJYLPVFI-WOPDTQHZSA-N 1 0 278.356 2.339 20 5 CEBDRO C[C@@]1(CNCc2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414915181 394802207 /nfs/dbraw/zinc/80/22/07/394802207.db2.gz YXLAYSVRGBACSM-GFCCVEGCSA-N 1 0 269.370 2.136 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123257064 394825307 /nfs/dbraw/zinc/82/53/07/394825307.db2.gz STJANSNMICGKQO-NXEZZACHSA-N 1 0 277.324 2.067 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281917577 394875294 /nfs/dbraw/zinc/87/52/94/394875294.db2.gz NTRQDNSYBUCNDT-SECBINFHSA-N 1 0 284.385 2.218 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)c1 ZINC000336817384 394879469 /nfs/dbraw/zinc/87/94/69/394879469.db2.gz QBDDZBSGNGXVSB-JTQLQIEISA-N 1 0 267.329 2.213 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnccc1N ZINC000423009854 394879966 /nfs/dbraw/zinc/87/99/66/394879966.db2.gz FDSUVEJSSHRBBY-NSHDSACASA-N 1 0 286.335 2.296 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336840155 394881787 /nfs/dbraw/zinc/88/17/87/394881787.db2.gz PSTFBTFCFZMCBI-ONGXEEELSA-N 1 0 281.360 2.014 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128181954 394853879 /nfs/dbraw/zinc/85/38/79/394853879.db2.gz PJACHERTPXCOIP-VXGBXAGGSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362379425 394858302 /nfs/dbraw/zinc/85/83/02/394858302.db2.gz RTCNKIMHHBUVIC-NEPJUHHUSA-N 1 0 291.351 2.348 20 5 CEBDRO Cc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139326 394902307 /nfs/dbraw/zinc/90/23/07/394902307.db2.gz ZLLVJCXCXQGENQ-SMDDNHRTSA-N 1 0 277.368 2.320 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423366844 394902446 /nfs/dbraw/zinc/90/24/46/394902446.db2.gz QRAYLXLUCPDGMQ-SCRDCRAPSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415297414 394919412 /nfs/dbraw/zinc/91/94/12/394919412.db2.gz NZZSRLQBVNZMBD-NSHDSACASA-N 1 0 292.339 2.070 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000415419000 394929947 /nfs/dbraw/zinc/92/99/47/394929947.db2.gz POIJWSDWUNAWRR-GFCCVEGCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415451136 394933247 /nfs/dbraw/zinc/93/32/47/394933247.db2.gz ZUQZNHBDQOHWHR-GHMZBOCLSA-N 1 0 292.339 2.117 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335831 395020794 /nfs/dbraw/zinc/02/07/94/395020794.db2.gz LSRLQHPGIYIEBU-ZJUUUORDSA-N 1 0 282.369 2.114 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415757694 394961315 /nfs/dbraw/zinc/96/13/15/394961315.db2.gz GKXQBNKVXOUTLH-GFCCVEGCSA-N 1 0 294.355 2.262 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000416305943 395051223 /nfs/dbraw/zinc/05/12/23/395051223.db2.gz YUGLMQLOMQJYDI-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000345862360 395080222 /nfs/dbraw/zinc/08/02/22/395080222.db2.gz VPGMVXMGXRJCDD-JTQLQIEISA-N 1 0 279.340 2.072 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289720367 395084828 /nfs/dbraw/zinc/08/48/28/395084828.db2.gz URKNVXUYEJEBNT-VXGBXAGGSA-N 1 0 277.324 2.230 20 5 CEBDRO CC(C)(C)[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343756908 395044347 /nfs/dbraw/zinc/04/43/47/395044347.db2.gz LXAJDPXWIXPHPS-CQSZACIVSA-N 1 0 278.352 2.360 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000494459062 395115418 /nfs/dbraw/zinc/11/54/18/395115418.db2.gz TVYSZQIPLMHUJJ-TZMCWYRMSA-N 1 0 280.299 2.391 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000494635210 395128428 /nfs/dbraw/zinc/12/84/28/395128428.db2.gz FSKJBMXBSIHYEX-SECBINFHSA-N 1 0 276.296 2.177 20 5 CEBDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397962610 395230672 /nfs/dbraw/zinc/23/06/72/395230672.db2.gz DYUTVPXJYIWFCR-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369413 395250516 /nfs/dbraw/zinc/25/05/16/395250516.db2.gz YMSXVCWYSVGPNR-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000433143692 395202730 /nfs/dbraw/zinc/20/27/30/395202730.db2.gz IEFXWIIBIDRWJC-SKDRFNHKSA-N 1 0 298.314 2.257 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000352892793 395274102 /nfs/dbraw/zinc/27/41/02/395274102.db2.gz MEZRLIXEJWARGZ-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000411471471 395327992 /nfs/dbraw/zinc/32/79/92/395327992.db2.gz FGMMMGNCVUREFA-LBPRGKRZSA-N 1 0 293.367 2.421 20 5 CEBDRO CC(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000444772524 395453852 /nfs/dbraw/zinc/45/38/52/395453852.db2.gz NUUXBHBLRUXABJ-ZDUSSCGKSA-N 1 0 293.367 2.125 20 5 CEBDRO Cc1c(CN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000193823463 395416540 /nfs/dbraw/zinc/41/65/40/395416540.db2.gz KTTLNXRHDSLHRB-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936480 395419835 /nfs/dbraw/zinc/41/98/35/395419835.db2.gz WDSAUQFXKMIIBX-VIFPVBQESA-N 1 0 265.269 2.487 20 5 CEBDRO CNC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000566419132 395521013 /nfs/dbraw/zinc/52/10/13/395521013.db2.gz QHFAIJBGWBRORA-UHFFFAOYSA-N 1 0 293.367 2.331 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451239330 395597705 /nfs/dbraw/zinc/59/77/05/395597705.db2.gz FFKZPCPXGBQUOE-LBPRGKRZSA-N 1 0 291.307 2.393 20 5 CEBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000449534960 395553619 /nfs/dbraw/zinc/55/36/19/395553619.db2.gz CRSUUAKPRFNVMO-FPUUUQIFSA-N 1 0 264.325 2.357 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451197670 395592907 /nfs/dbraw/zinc/59/29/07/395592907.db2.gz AMMCUIMKNZKJHC-HNNXBMFYSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nc1 ZINC000348892701 292098440 /nfs/dbraw/zinc/09/84/40/292098440.db2.gz IXBVNHMRJYOELT-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1cc(N2CC[NH+]3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC000360049290 155203727 /nfs/dbraw/zinc/20/37/27/155203727.db2.gz CKFHVIIGVKGHBB-UHFFFAOYSA-N 1 0 279.315 2.327 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825569 155381659 /nfs/dbraw/zinc/38/16/59/155381659.db2.gz OUMCGIGDLQCJHQ-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000224944285 153327431 /nfs/dbraw/zinc/32/74/31/153327431.db2.gz JCGMTBUPSMFVLB-NSHDSACASA-N 1 0 251.286 2.051 20 5 CEBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227373553 153343193 /nfs/dbraw/zinc/34/31/93/153343193.db2.gz AAGHCJMADUURGA-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1cccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000227537422 153345872 /nfs/dbraw/zinc/34/58/72/153345872.db2.gz OVPUFXASCGFJRI-OLZOCXBDSA-N 1 0 291.351 2.178 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230315206 153390318 /nfs/dbraw/zinc/39/03/18/153390318.db2.gz DAMMEGNQQKNVSK-CMPLNLGQSA-N 1 0 268.338 2.313 20 5 CEBDRO C[C@@H]1COCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000366795120 156085253 /nfs/dbraw/zinc/08/52/53/156085253.db2.gz FPBCVXRNJUJBQI-LBPRGKRZSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370668452 156602259 /nfs/dbraw/zinc/60/22/59/156602259.db2.gz WKXIKCVGTNOJQS-CQSZACIVSA-N 1 0 280.299 2.081 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)c1 ZINC000376078998 157182581 /nfs/dbraw/zinc/18/25/81/157182581.db2.gz GBYZXRFCWMXFBG-NWDGAFQWSA-N 1 0 296.396 2.181 20 5 CEBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000376106009 157186908 /nfs/dbraw/zinc/18/69/08/157186908.db2.gz DODFNDRKEIGCIZ-VXGBXAGGSA-N 1 0 276.340 2.216 20 5 CEBDRO CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000275417571 286708729 /nfs/dbraw/zinc/70/87/29/286708729.db2.gz HEEVZSWMEAEYHM-CHWSQXEVSA-N 1 0 295.408 2.385 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000159420444 162310128 /nfs/dbraw/zinc/31/01/28/162310128.db2.gz NEHFVPVXXSDCMD-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO CO[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251702676 162521136 /nfs/dbraw/zinc/52/11/36/162521136.db2.gz KAOQFAFUQVBSSQ-IUODEOHRSA-N 1 0 294.351 2.330 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293730941 287027522 /nfs/dbraw/zinc/02/75/22/287027522.db2.gz MYKQTGWJPKSIME-GFCCVEGCSA-N 1 0 292.383 2.314 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000174872079 165119879 /nfs/dbraw/zinc/11/98/79/165119879.db2.gz YUWDBFISCRCEJB-UHFFFAOYSA-N 1 0 252.318 2.054 20 5 CEBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285536 165158503 /nfs/dbraw/zinc/15/85/03/165158503.db2.gz OEYACTSCKRBGHX-RYUDHWBXSA-N 1 0 298.412 2.397 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898806 298808603 /nfs/dbraw/zinc/80/86/03/298808603.db2.gz RJIDACONJGLJRJ-QWHCGFSZSA-N 1 0 264.325 2.189 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019803124 170871866 /nfs/dbraw/zinc/87/18/66/170871866.db2.gz SLQWBHXUDGENEE-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000020125469 171008567 /nfs/dbraw/zinc/00/85/67/171008567.db2.gz HFUGZZZUOLMXGX-LBPRGKRZSA-N 1 0 293.367 2.326 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285195992 196218354 /nfs/dbraw/zinc/21/83/54/196218354.db2.gz CSMUYDDYGHRRHY-UHFFFAOYSA-N 1 0 288.307 2.174 20 5 CEBDRO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285391547 196270418 /nfs/dbraw/zinc/27/04/18/196270418.db2.gz WSYKPOHBGHNLIG-NSHDSACASA-N 1 0 292.383 2.312 20 5 CEBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000285606548 196342167 /nfs/dbraw/zinc/34/21/67/196342167.db2.gz CEOCCWJPLGLUGA-RYUDHWBXSA-N 1 0 284.385 2.055 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000038079454 174089302 /nfs/dbraw/zinc/08/93/02/174089302.db2.gz UGTGNOQEBOOHMO-SNVBAGLBSA-N 1 0 250.298 2.362 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454409 174266994 /nfs/dbraw/zinc/26/69/94/174266994.db2.gz BIQLSULUMGNHGD-LLVKDONJSA-N 1 0 281.360 2.307 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000040623753 174355890 /nfs/dbraw/zinc/35/58/90/174355890.db2.gz YTCAFNPCFXFTOM-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746594 174391818 /nfs/dbraw/zinc/39/18/18/174391818.db2.gz NQFGEQBACSLVEH-PBWFPOADSA-N 1 0 275.352 2.310 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044507771 175186800 /nfs/dbraw/zinc/18/68/00/175186800.db2.gz MLRZMUMHQQPIOB-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO CCCC[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000076951545 177134686 /nfs/dbraw/zinc/13/46/86/177134686.db2.gz PYIUGJZDLDLVJV-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077204994 177233323 /nfs/dbraw/zinc/23/33/23/177233323.db2.gz ZNDVQSLWEKYCDU-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448370579 261131219 /nfs/dbraw/zinc/13/12/19/261131219.db2.gz JKOQHFOKXCLQAC-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488746709 262387532 /nfs/dbraw/zinc/38/75/32/262387532.db2.gz MRHAGVFYULVIEI-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425448366 264325795 /nfs/dbraw/zinc/32/57/95/264325795.db2.gz UXOISSQRVPGXAA-HNNXBMFYSA-N 1 0 278.352 2.494 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213158 270346272 /nfs/dbraw/zinc/34/62/72/270346272.db2.gz QOKOHWMXUPKBPV-QWHCGFSZSA-N 1 0 294.351 2.196 20 5 CEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000395542208 270346829 /nfs/dbraw/zinc/34/68/29/270346829.db2.gz BHHSHGOCNHIMCC-ZDUSSCGKSA-N 1 0 293.367 2.235 20 5 CEBDRO C[NH2+][C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420272930 270500689 /nfs/dbraw/zinc/50/06/89/270500689.db2.gz MTGDECHDFVOFDO-VXGBXAGGSA-N 1 0 263.341 2.258 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000422766781 270759203 /nfs/dbraw/zinc/75/92/03/270759203.db2.gz XRIQUVUEAKYNGW-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000422779840 270764576 /nfs/dbraw/zinc/76/45/76/270764576.db2.gz JGEVMBYXFKOXMH-VIFPVBQESA-N 1 0 297.380 2.174 20 5 CEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CC2 ZINC000424317803 271043863 /nfs/dbraw/zinc/04/38/63/271043863.db2.gz GYRVSZPNBJUKFL-ZWNOBZJWSA-N 1 0 289.335 2.454 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000430219849 271363314 /nfs/dbraw/zinc/36/33/14/271363314.db2.gz NZZDXMDQTAKUKU-RISCZKNCSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000430207698 271363425 /nfs/dbraw/zinc/36/34/25/271363425.db2.gz RIYPLCKAAXHACC-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000430211745 271363795 /nfs/dbraw/zinc/36/37/95/271363795.db2.gz YPLPFMJCUAVPMD-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000430232993 271365136 /nfs/dbraw/zinc/36/51/36/271365136.db2.gz JBLMEGNQTDZPTG-HZMBPMFUSA-N 1 0 280.324 2.261 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH3+] ZINC000430563166 271390126 /nfs/dbraw/zinc/39/01/26/271390126.db2.gz HYFHVPNJFGUUMT-CQSZACIVSA-N 1 0 293.367 2.305 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH3+] ZINC000430563165 271390922 /nfs/dbraw/zinc/39/09/22/271390922.db2.gz HYFHVPNJFGUUMT-AWEZNQCLSA-N 1 0 293.367 2.305 20 5 CEBDRO C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430571594 271392656 /nfs/dbraw/zinc/39/26/56/271392656.db2.gz OFUAGHGCCNMTQI-QMTHXVAHSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000439504225 271745407 /nfs/dbraw/zinc/74/54/07/271745407.db2.gz ULKHMVWJCYMOSF-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO COc1cc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268263569 274096766 /nfs/dbraw/zinc/09/67/66/274096766.db2.gz ZRSUXGQBXCGZCR-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO CSC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188179759 274178157 /nfs/dbraw/zinc/17/81/57/274178157.db2.gz QIGYBASZYBZHAU-CQSZACIVSA-N 1 0 296.392 2.283 20 5 CEBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000286204341 274713991 /nfs/dbraw/zinc/71/39/91/274713991.db2.gz BYWUUCIVJAZFOW-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO [NH3+]C[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123419248 274952165 /nfs/dbraw/zinc/95/21/65/274952165.db2.gz GPXDBUYAFZMHSB-LLVKDONJSA-N 1 0 269.732 2.171 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000193384696 276118283 /nfs/dbraw/zinc/11/82/83/276118283.db2.gz YOHKGSNHIVMULC-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C)n1 ZINC000151483390 276234413 /nfs/dbraw/zinc/23/44/13/276234413.db2.gz NYHLWPHUFYCIBR-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000174852477 276254594 /nfs/dbraw/zinc/25/45/94/276254594.db2.gz UKRXLYWVNLFICT-AWEZNQCLSA-N 1 0 296.371 2.072 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CCC[NH2+]1 ZINC000414900631 276377157 /nfs/dbraw/zinc/37/71/57/276377157.db2.gz DURGXFHCDKDWFH-CYBMUJFWSA-N 1 0 293.367 2.225 20 5 CEBDRO C[NH+](C)CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000336807804 276758761 /nfs/dbraw/zinc/75/87/61/276758761.db2.gz NEDPRNQXSZBDLX-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CC[C@H]21 ZINC000286161397 277084416 /nfs/dbraw/zinc/08/44/16/277084416.db2.gz JLHADNYNASFZDA-WCQYABFASA-N 1 0 290.367 2.098 20 5 CEBDRO CC(C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160592918 277317635 /nfs/dbraw/zinc/31/76/35/277317635.db2.gz ZZJHAGAAINMHCC-CYBMUJFWSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252207471 277697996 /nfs/dbraw/zinc/69/79/96/277697996.db2.gz VKRQCCQCUNLTOL-RISCZKNCSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135922 278494112 /nfs/dbraw/zinc/49/41/12/278494112.db2.gz ZAIDVHVJMGRFTD-GHMZBOCLSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@H]1[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCC[C@@H]1C ZINC000162969560 278542858 /nfs/dbraw/zinc/54/28/58/278542858.db2.gz ONYFXGLYYAQGIM-OUCADQQQSA-N 1 0 293.367 2.171 20 5 CEBDRO Cc1cnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286322447 279016837 /nfs/dbraw/zinc/01/68/37/279016837.db2.gz KYUBIYNTGRGUHD-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351929094 288100001 /nfs/dbraw/zinc/10/00/01/288100001.db2.gz XEQNQIWSLNUGHY-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162969316 279078909 /nfs/dbraw/zinc/07/89/09/279078909.db2.gz ONYFXGLYYAQGIM-SCRDCRAPSA-N 1 0 293.367 2.171 20 5 CEBDRO CC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235374 280040121 /nfs/dbraw/zinc/04/01/21/280040121.db2.gz YGJIVCXKNDRKPO-ZDUSSCGKSA-N 1 0 264.325 2.330 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150236467 280079563 /nfs/dbraw/zinc/07/95/63/280079563.db2.gz FYVLEFRWCMRSCJ-SNVBAGLBSA-N 1 0 299.758 2.496 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278194 280390761 /nfs/dbraw/zinc/39/07/61/280390761.db2.gz LUVCGCWYJSNYRU-VHSXEESVSA-N 1 0 284.385 2.218 20 5 CEBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000277283669 280554382 /nfs/dbraw/zinc/55/43/82/280554382.db2.gz ZAJSXSBCPMYBSA-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464551 281048115 /nfs/dbraw/zinc/04/81/15/281048115.db2.gz MEPFDYWAFMFWPE-ZYHUDNBSSA-N 1 0 251.330 2.291 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH3+] ZINC000423467564 281049760 /nfs/dbraw/zinc/04/97/60/281049760.db2.gz XTBGMILQCQWDPC-SECBINFHSA-N 1 0 297.380 2.031 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423621916 281071526 /nfs/dbraw/zinc/07/15/26/281071526.db2.gz LLJNXWQFXPMMDW-RYUDHWBXSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1c(CC(=O)N[C@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000423651122 281074411 /nfs/dbraw/zinc/07/44/11/281074411.db2.gz NFPMFAXTHIIXFB-LLVKDONJSA-N 1 0 293.367 2.079 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000151806147 289067638 /nfs/dbraw/zinc/06/76/38/289067638.db2.gz FKJYOCQLKGGNRF-CMDGGOBGSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000401887837 289289077 /nfs/dbraw/zinc/28/90/77/289289077.db2.gz VDRPBGHFKQRNPW-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455195751 289434889 /nfs/dbraw/zinc/43/48/89/289434889.db2.gz RLRVHEKOTRIWDE-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391396 290134289 /nfs/dbraw/zinc/13/42/89/290134289.db2.gz UVTOYIVAKJNKNZ-AAEUAGOBSA-N 1 0 291.351 2.080 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000459748452 290226306 /nfs/dbraw/zinc/22/63/06/290226306.db2.gz XBZMWONZLZNRHX-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343584 290391378 /nfs/dbraw/zinc/39/13/78/290391378.db2.gz GCUGQPXMFIGSHM-OLZOCXBDSA-N 1 0 275.352 2.373 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237438795 294070286 /nfs/dbraw/zinc/07/02/86/294070286.db2.gz JRNXQEXEMMBBKG-WPRPVWTQSA-N 1 0 297.380 2.307 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131942061 297398087 /nfs/dbraw/zinc/39/80/87/297398087.db2.gz FDXFGZDTYJHQIF-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385864 298068024 /nfs/dbraw/zinc/06/80/24/298068024.db2.gz WSJWOUJKJGMUSA-VXGBXAGGSA-N 1 0 293.367 2.421 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712038 298117218 /nfs/dbraw/zinc/11/72/18/298117218.db2.gz CQSBGJNHODXHIE-DOMZBBRYSA-N 1 0 294.351 2.441 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536873852 298206912 /nfs/dbraw/zinc/20/69/12/298206912.db2.gz BFWPWRWHIZNJQF-LBPRGKRZSA-N 1 0 293.367 2.032 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564869357 298857556 /nfs/dbraw/zinc/85/75/56/298857556.db2.gz VBKSBASQFQKSDJ-JSGCOSHPSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180400049 312767348 /nfs/dbraw/zinc/76/73/48/312767348.db2.gz JFBCUUQONISJEM-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530724442 313305196 /nfs/dbraw/zinc/30/51/96/313305196.db2.gz KFUJUACTZJYMSX-CQSZACIVSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000563471772 313742948 /nfs/dbraw/zinc/74/29/48/313742948.db2.gz AZPIYGFHNCCMFJ-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO COC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000570284628 314032216 /nfs/dbraw/zinc/03/22/16/314032216.db2.gz IFKDWFVCMHWHIE-XQRVVYSFSA-N 1 0 290.319 2.293 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570799628 314058661 /nfs/dbraw/zinc/05/86/61/314058661.db2.gz YQLUVVKGFOTOPB-MXWKQRLJSA-N 1 0 294.355 2.081 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000577606687 314394590 /nfs/dbraw/zinc/39/45/90/314394590.db2.gz GSLDUBVNJRWICV-OCCSQVGLSA-N 1 0 292.335 2.084 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578745549 314512601 /nfs/dbraw/zinc/51/26/01/314512601.db2.gz GBSPIBNNXIZUSP-NEPJUHHUSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCC1 ZINC000579140510 314554776 /nfs/dbraw/zinc/55/47/76/314554776.db2.gz HCGNIAMSBZXWOU-GFCCVEGCSA-N 1 0 262.309 2.087 20 5 CEBDRO C[C@@H](O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000580948169 322356773 /nfs/dbraw/zinc/35/67/73/322356773.db2.gz GMPCEMBQSCWWTE-DTWKUNHWSA-N 1 0 272.732 2.150 20 5 CEBDRO CCOC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000159207735 500700296 /nfs/dbraw/zinc/70/02/96/500700296.db2.gz MJOPEZGMTSVFBS-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414702914 533911135 /nfs/dbraw/zinc/91/11/35/533911135.db2.gz MAUNPXZJFNOEAE-GXSJLCMTSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414702916 533916367 /nfs/dbraw/zinc/91/63/67/533916367.db2.gz MAUNPXZJFNOEAE-KOLCDFICSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415293631 534321793 /nfs/dbraw/zinc/32/17/93/534321793.db2.gz JMWYKSASQGXETB-UHFFFAOYSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000414662977 534343210 /nfs/dbraw/zinc/34/32/10/534343210.db2.gz RTNKWEQJCFIMDH-LBPRGKRZSA-N 1 0 292.339 2.165 20 5 CEBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000062730631 523223766 /nfs/dbraw/zinc/22/37/66/523223766.db2.gz FDOHDCCDHYGTOL-UHFFFAOYSA-N 1 0 296.323 2.035 20 5 CEBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCC1 ZINC000185873700 524047878 /nfs/dbraw/zinc/04/78/78/524047878.db2.gz BVMIHDVMOWEYRC-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070172227 524176531 /nfs/dbraw/zinc/17/65/31/524176531.db2.gz WIJSHFLJRBFFQV-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+](C)C ZINC000291826658 524504951 /nfs/dbraw/zinc/50/49/51/524504951.db2.gz LAQYVDJTTLRZDI-SNVBAGLBSA-N 1 0 278.356 2.172 20 5 CEBDRO CC(=O)NC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000263655762 534841616 /nfs/dbraw/zinc/84/16/16/534841616.db2.gz FWQFSTWOBHFARJ-UHFFFAOYSA-N 1 0 297.380 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052812552 525576580 /nfs/dbraw/zinc/57/65/80/525576580.db2.gz AJGPOHSOWUJXBJ-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804523 525634574 /nfs/dbraw/zinc/63/45/74/525634574.db2.gz OUNXMGCQEOVKSK-DDTOSNHZSA-N 1 0 291.351 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000070089150 527356088 /nfs/dbraw/zinc/35/60/88/527356088.db2.gz VCJMKKZIYGJPAT-MRVPVSSYSA-N 1 0 256.689 2.237 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000372472732 527415943 /nfs/dbraw/zinc/41/59/43/527415943.db2.gz NHPMFXVSPPDKGM-GFCCVEGCSA-N 1 0 264.329 2.371 20 5 CEBDRO CCCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173517736 528181422 /nfs/dbraw/zinc/18/14/22/528181422.db2.gz MEAMWCKEYQTPAH-CQSZACIVSA-N 1 0 298.387 2.053 20 5 CEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748241574 574437938 /nfs/dbraw/zinc/43/79/38/574437938.db2.gz AETIERQXNOEKQW-GFCCVEGCSA-N 1 0 286.353 2.478 20 5 CEBDRO CN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740004265 574938734 /nfs/dbraw/zinc/93/87/34/574938734.db2.gz MEZZTYRKUSKYDK-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccs2)c1 ZINC000749645863 575228494 /nfs/dbraw/zinc/22/84/94/575228494.db2.gz IILSZLQFXFXWDE-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccco2)c1 ZINC000749644391 575228520 /nfs/dbraw/zinc/22/85/20/575228520.db2.gz FFHFLWMZGIHPKV-CYBMUJFWSA-N 1 0 262.265 2.011 20 5 CEBDRO CC[N@H+](CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952556 575241125 /nfs/dbraw/zinc/24/11/25/575241125.db2.gz IEAILLWDXYEYCK-UHFFFAOYSA-N 1 0 289.339 2.337 20 5 CEBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)COC1 ZINC000083523061 623346383 /nfs/dbraw/zinc/34/63/83/623346383.db2.gz FGGJKDAOFBSALW-UHFFFAOYSA-N 1 0 270.716 2.374 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000307897732 623426037 /nfs/dbraw/zinc/42/60/37/623426037.db2.gz NXAQCPLDKQJYER-LLVKDONJSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[NH+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891438080 623651432 /nfs/dbraw/zinc/65/14/32/623651432.db2.gz DSNGNKHODMZIBE-UHFFFAOYSA-N 1 0 254.286 2.151 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891846845 624018557 /nfs/dbraw/zinc/01/85/57/624018557.db2.gz PDEPHKDMOJQSOD-GFCCVEGCSA-N 1 0 295.387 2.252 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051536037 624440263 /nfs/dbraw/zinc/44/02/63/624440263.db2.gz WHYNSGMKKRQJCV-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000044541825 624904774 /nfs/dbraw/zinc/90/47/74/624904774.db2.gz MQEHJAAOLORKAI-SNVBAGLBSA-N 1 0 297.742 2.202 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000311630471 627684544 /nfs/dbraw/zinc/68/45/44/627684544.db2.gz JBCZWFZGHSVREP-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO NOCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000902420948 634645694 /nfs/dbraw/zinc/64/56/94/634645694.db2.gz YZVRNFINGFEMNI-JSGCOSHPSA-N 1 0 293.367 2.176 20 5 CEBDRO CCC[C@H]([NH2+]CCCON)c1cccc([N+](=O)[O-])c1 ZINC000902423487 634646409 /nfs/dbraw/zinc/64/64/09/634646409.db2.gz XQBFBHWJVNSCBI-ZDUSSCGKSA-N 1 0 267.329 2.306 20 5 CEBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925694691 628518915 /nfs/dbraw/zinc/51/89/15/628518915.db2.gz RXJDXTUHFDXYEE-WOPDTQHZSA-N 1 0 291.351 2.303 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313026324 628575604 /nfs/dbraw/zinc/57/56/04/628575604.db2.gz NLVJPTPWPCTSPK-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413698 629445246 /nfs/dbraw/zinc/44/52/46/629445246.db2.gz NOTDHYHSLFQHKT-WPRPVWTQSA-N 1 0 298.364 2.150 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC000894996853 629790264 /nfs/dbraw/zinc/79/02/64/629790264.db2.gz JLWQBDCDKSPUTN-UHFFFAOYSA-N 1 0 299.334 2.102 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895100943 629897136 /nfs/dbraw/zinc/89/71/36/629897136.db2.gz GBDZGDFLYHSUKM-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247118 630060102 /nfs/dbraw/zinc/06/01/02/630060102.db2.gz SXTNWBLUOXWZPY-JQWIXIFHSA-N 1 0 298.412 2.011 20 5 CEBDRO CC1=NO[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895310468 630098665 /nfs/dbraw/zinc/09/86/65/630098665.db2.gz HVKRJPUVHIPZTA-DIECRNLCSA-N 1 0 275.308 2.362 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C=CCC3)C2)c1 ZINC000895527628 630234774 /nfs/dbraw/zinc/23/47/74/630234774.db2.gz MUUQLEPKFUMIFK-UNXYVOJBSA-N 1 0 262.313 2.051 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000896125084 630473947 /nfs/dbraw/zinc/47/39/47/630473947.db2.gz LYHLWMBJGICRPW-ZJUUUORDSA-N 1 0 284.337 2.088 20 5 CEBDRO CC(C)[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000798855611 630941184 /nfs/dbraw/zinc/94/11/84/630941184.db2.gz RILUKJBTIMROOD-AWEZNQCLSA-N 1 0 294.351 2.267 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523993 631280671 /nfs/dbraw/zinc/28/06/71/631280671.db2.gz NGNOUKBKQXFWCT-UHFFFAOYSA-N 1 0 284.287 2.165 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545000 631286434 /nfs/dbraw/zinc/28/64/34/631286434.db2.gz XVMHEACBFQRXJH-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804376948 631671522 /nfs/dbraw/zinc/67/15/22/631671522.db2.gz NXEWQGPJKBAOPT-SECBINFHSA-N 1 0 280.284 2.009 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804387730 631676071 /nfs/dbraw/zinc/67/60/71/631676071.db2.gz HKJMWWCUJKAJGR-LLVKDONJSA-N 1 0 278.356 2.319 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000925305346 631759693 /nfs/dbraw/zinc/75/96/93/631759693.db2.gz BWXJHDFOMRBWEA-CMPLNLGQSA-N 1 0 292.339 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC12CC(O)C2 ZINC000897851066 631945745 /nfs/dbraw/zinc/94/57/45/631945745.db2.gz OFBFALGOWNAWKL-YONKPXBISA-N 1 0 274.320 2.111 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)cn1 ZINC000898043547 632035572 /nfs/dbraw/zinc/03/55/72/632035572.db2.gz TWOVBNHBXCFBIF-GFCCVEGCSA-N 1 0 288.351 2.439 20 5 CEBDRO CC[N@H+](CCNc1ccc(N)cc1[N+](=O)[O-])C(C)C ZINC000811799244 632446719 /nfs/dbraw/zinc/44/67/19/632446719.db2.gz TYYSIEGAHHAGLF-UHFFFAOYSA-N 1 0 266.345 2.319 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000898393380 632478600 /nfs/dbraw/zinc/47/86/00/632478600.db2.gz REGGBKMXJVXBBV-HOTGVXAUSA-N 1 0 284.315 2.343 20 5 CEBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000812298418 632504558 /nfs/dbraw/zinc/50/45/58/632504558.db2.gz MLXBPGXLGMWUBO-ZDUSSCGKSA-N 1 0 290.323 2.013 20 5 CEBDRO [NH3+][C@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2C1 ZINC000899323599 632784336 /nfs/dbraw/zinc/78/43/36/632784336.db2.gz RVJYFSXZIXAZKS-AWEZNQCLSA-N 1 0 284.315 2.180 20 5 CEBDRO O=[N+]([O-])c1ncccc1COc1ccc2c(c1)CC[NH2+]CC2 ZINC000899588034 632909875 /nfs/dbraw/zinc/90/98/75/632909875.db2.gz DSWQXCQRGFJHCP-UHFFFAOYSA-N 1 0 299.330 2.257 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565849 633032741 /nfs/dbraw/zinc/03/27/41/633032741.db2.gz BRHXWAZUHWSNHJ-JQWIXIFHSA-N 1 0 279.340 2.397 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000899861132 633056242 /nfs/dbraw/zinc/05/62/42/633056242.db2.gz WJFPHMIXGPGSRB-UHFFFAOYSA-N 1 0 262.231 2.114 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1CCSc2c(F)cccc21 ZINC000899864345 633066524 /nfs/dbraw/zinc/06/65/24/633066524.db2.gz HZKZAVPDGSAKDR-JTQLQIEISA-N 1 0 256.302 2.229 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000817131513 633590656 /nfs/dbraw/zinc/59/06/56/633590656.db2.gz BNJGFHHUEZUSGO-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000817239914 633605826 /nfs/dbraw/zinc/60/58/26/633605826.db2.gz XMWZCKZFBIFLKH-UHFFFAOYSA-N 1 0 280.324 2.320 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000817368849 633642146 /nfs/dbraw/zinc/64/21/46/633642146.db2.gz MTEGHOPHHUJMKA-LBPRGKRZSA-N 1 0 264.329 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c(F)c1F ZINC000818618090 633962054 /nfs/dbraw/zinc/96/20/54/633962054.db2.gz LFXODTXYDDYLNN-QMMMGPOBSA-N 1 0 272.251 2.251 20 5 CEBDRO Cc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000818958641 634016593 /nfs/dbraw/zinc/01/65/93/634016593.db2.gz TUAVODHOYPMGTO-OAHLLOKOSA-N 1 0 290.319 2.362 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc(C3CC[NH2+]CC3)on2)o1 ZINC000901399833 634081204 /nfs/dbraw/zinc/08/12/04/634081204.db2.gz WWKFXSFERSHNIM-UHFFFAOYSA-N 1 0 263.253 2.310 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202487 634103239 /nfs/dbraw/zinc/10/32/39/634103239.db2.gz AZDQGWQVFWWHMQ-LALPHHSUSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819249957 634117695 /nfs/dbraw/zinc/11/76/95/634117695.db2.gz QEAKMBHYBSELRI-SCDSUCTJSA-N 1 0 264.325 2.406 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819339845 634146277 /nfs/dbraw/zinc/14/62/77/634146277.db2.gz UCKSFFYUOCMJDS-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903097887 634967782 /nfs/dbraw/zinc/96/77/82/634967782.db2.gz WFCJHVFHOHEKRM-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092782 634975171 /nfs/dbraw/zinc/97/51/71/634975171.db2.gz LWVWPNOKMBPGGH-PWSUYJOCSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(CO)CCC2)cc([N+](=O)[O-])c1 ZINC000903146857 634990046 /nfs/dbraw/zinc/99/00/46/634990046.db2.gz BOMPRZGEPRJATP-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194435 635005653 /nfs/dbraw/zinc/00/56/53/635005653.db2.gz MZWVTNMSCVICKH-SCVCMEIPSA-N 1 0 280.324 2.431 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903209741 635016796 /nfs/dbraw/zinc/01/67/96/635016796.db2.gz OSQOHWUAQYJXDO-FOGDFJRCSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903286930 635051584 /nfs/dbraw/zinc/05/15/84/635051584.db2.gz JPKQSESOGLSPPT-UMNHJUIQSA-N 1 0 250.298 2.423 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288576 635051953 /nfs/dbraw/zinc/05/19/53/635051953.db2.gz ZDLGKADRVAYREL-DMTCVQMQSA-N 1 0 292.335 2.443 20 5 CEBDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903315907 635063091 /nfs/dbraw/zinc/06/30/91/635063091.db2.gz AFBKDWYZHUFAOM-UKRRQHHQSA-N 1 0 275.352 2.266 20 5 CEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000903822140 635289928 /nfs/dbraw/zinc/28/99/28/635289928.db2.gz XRWZBACYKJROFX-HZPDHXFCSA-N 1 0 283.331 2.309 20 5 CEBDRO Cc1ccc(CN2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903870614 635319181 /nfs/dbraw/zinc/31/91/81/635319181.db2.gz ODOGNILROSKXGX-OAHLLOKOSA-N 1 0 275.352 2.231 20 5 CEBDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000824085323 635344061 /nfs/dbraw/zinc/34/40/61/635344061.db2.gz MCRRJOPQHMMSAR-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO COc1ccc2cc(C[NH2+]CC[N+](=O)[O-])ccc2c1 ZINC000905023993 635791999 /nfs/dbraw/zinc/79/19/99/635791999.db2.gz GZIUIDZEOXZTDE-UHFFFAOYSA-N 1 0 260.293 2.215 20 5 CEBDRO C[N@H+](Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C ZINC000905057345 635804248 /nfs/dbraw/zinc/80/42/48/635804248.db2.gz BJCZBVNEAGMLCC-UHFFFAOYSA-N 1 0 289.339 2.406 20 5 CEBDRO CC(C)[NH2+]Cc1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000905790123 636460186 /nfs/dbraw/zinc/46/01/86/636460186.db2.gz ZFYWOQKYECJWHW-LLVKDONJSA-N 1 0 289.339 2.294 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876519303 650300558 /nfs/dbraw/zinc/30/05/58/650300558.db2.gz CMFVUUQYXSSQHC-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876522310 650301181 /nfs/dbraw/zinc/30/11/81/650301181.db2.gz NKQGLVMMRMAQAL-UHFFFAOYSA-N 1 0 299.330 2.230 20 5 CEBDRO CCC[N@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876538127 650311479 /nfs/dbraw/zinc/31/14/79/650311479.db2.gz LDOHEVNLRSPIFW-UHFFFAOYSA-N 1 0 266.341 2.416 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616347 637621464 /nfs/dbraw/zinc/62/14/64/637621464.db2.gz WXZFDNYKULLRFH-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000834382183 637806546 /nfs/dbraw/zinc/80/65/46/637806546.db2.gz FTTLXGKGXRUIRO-ZIAGYGMSSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC(=O)N1 ZINC000835059866 638042995 /nfs/dbraw/zinc/04/29/95/638042995.db2.gz FQOFNBFZLCZKLW-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000911740052 638388611 /nfs/dbraw/zinc/38/86/11/638388611.db2.gz GVJOWNKGRLXEGQ-VIFPVBQESA-N 1 0 299.758 2.034 20 5 CEBDRO Cc1ccc(NC(=O)CCSCCC[NH3+])cc1[N+](=O)[O-] ZINC000911907271 638475319 /nfs/dbraw/zinc/47/53/19/638475319.db2.gz VJLRCHSKBOXRCT-UHFFFAOYSA-N 1 0 297.380 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc(C3CC[NH2+]CC3)no2)s1 ZINC000225418053 639496265 /nfs/dbraw/zinc/49/62/65/639496265.db2.gz JCQWJTZMSHSUJH-UHFFFAOYSA-N 1 0 280.309 2.173 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000226453966 639544395 /nfs/dbraw/zinc/54/43/95/639544395.db2.gz ASXFPHQCTYWVCP-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841011728 639617574 /nfs/dbraw/zinc/61/75/74/639617574.db2.gz SVTIEMHNFTYZJC-VIFPVBQESA-N 1 0 298.730 2.074 20 5 CEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105826 639617804 /nfs/dbraw/zinc/61/78/04/639617804.db2.gz WDPCQEHZVDOJNS-RKDXNWHRSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[NH2+]C1 ZINC000841033817 639626583 /nfs/dbraw/zinc/62/65/83/639626583.db2.gz ZRVORHJRDKSERX-JTQLQIEISA-N 1 0 283.759 2.337 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000228559782 639644077 /nfs/dbraw/zinc/64/40/77/639644077.db2.gz IPANAQDFWNFCKD-SECBINFHSA-N 1 0 274.280 2.112 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102603 639680313 /nfs/dbraw/zinc/68/03/13/639680313.db2.gz GDQBIRKLVCOQIE-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO O=C(NCC[NH2+]C1CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233366 639713908 /nfs/dbraw/zinc/71/39/08/639713908.db2.gz ROSNCHMSLHFWHI-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203417 639745763 /nfs/dbraw/zinc/74/57/63/639745763.db2.gz XKDONDMXVOMPAU-GHMZBOCLSA-N 1 0 280.324 2.397 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000877023357 650535397 /nfs/dbraw/zinc/53/53/97/650535397.db2.gz OKOWIRGTFXAPOH-NWDGAFQWSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251924449 639993915 /nfs/dbraw/zinc/99/39/15/639993915.db2.gz YFRQGNLJVVXKSS-TVQRCGJNSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000843058718 640261677 /nfs/dbraw/zinc/26/16/77/640261677.db2.gz WYERFQKHXMRHJB-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cc(-c2noc(CC[NH2+]C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000843240384 640366420 /nfs/dbraw/zinc/36/64/20/640366420.db2.gz VPQYOGUTDUEAEQ-UHFFFAOYSA-N 1 0 290.323 2.494 20 5 CEBDRO Cc1cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000843239983 640366573 /nfs/dbraw/zinc/36/65/73/640366573.db2.gz RPUHZPSKUOXHQR-NSHDSACASA-N 1 0 288.307 2.248 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843381832 640412472 /nfs/dbraw/zinc/41/24/72/640412472.db2.gz IUPPUEGAMGFMOY-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO CC(=O)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153242656 640438284 /nfs/dbraw/zinc/43/82/84/640438284.db2.gz XCCBJMKWXDGMSZ-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO CC(C)[C@H](C)[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000915208465 640529250 /nfs/dbraw/zinc/52/92/50/640529250.db2.gz NJWFUKSDWMKWBV-JTQLQIEISA-N 1 0 293.323 2.437 20 5 CEBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844449076 640730449 /nfs/dbraw/zinc/73/04/49/640730449.db2.gz IIYXCWAIHJIACX-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[C@@H](C4CC4)[NH2+]3)n2)o1 ZINC000844921072 640866196 /nfs/dbraw/zinc/86/61/96/640866196.db2.gz XGXXNDAVXDZWFL-IUCAKERBSA-N 1 0 290.279 2.441 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000917620135 640905982 /nfs/dbraw/zinc/90/59/82/640905982.db2.gz IYMBPWSUMRHLFA-GFCCVEGCSA-N 1 0 264.329 2.403 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000921054769 641223903 /nfs/dbraw/zinc/22/39/03/641223903.db2.gz CAAWAIWMCQXXLM-NSHDSACASA-N 1 0 291.355 2.385 20 5 CEBDRO C[C@@H](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000849280376 642312717 /nfs/dbraw/zinc/31/27/17/642312717.db2.gz UDWKOGFYZLOUOR-JTQLQIEISA-N 1 0 296.396 2.221 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000922557532 643127768 /nfs/dbraw/zinc/12/77/68/643127768.db2.gz QAYCXQLYWRMPPV-OJWNKBRNSA-N 1 0 275.352 2.290 20 5 CEBDRO Cc1noc(C[NH2+]C(C)(C)C2CCOCC2)c1[N+](=O)[O-] ZINC000851994040 643257485 /nfs/dbraw/zinc/25/74/85/643257485.db2.gz MGOURGXBPZSBEW-UHFFFAOYSA-N 1 0 283.328 2.186 20 5 CEBDRO CC1CC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877646582 650832063 /nfs/dbraw/zinc/83/20/63/650832063.db2.gz KFKSSHYAMTYORL-UHFFFAOYSA-N 1 0 264.329 2.131 20 5 CEBDRO CCOCCOCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922940548 643464590 /nfs/dbraw/zinc/46/45/90/643464590.db2.gz CESXCARHUPJMCM-UHFFFAOYSA-N 1 0 282.340 2.046 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCc2ccco2)cc1 ZINC000853122556 643667026 /nfs/dbraw/zinc/66/70/26/643667026.db2.gz OORWXFJQTZWOIX-HNNXBMFYSA-N 1 0 290.319 2.444 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923541872 643757778 /nfs/dbraw/zinc/75/77/78/643757778.db2.gz LFHACEWGUYSCBM-HNNXBMFYSA-N 1 0 275.352 2.313 20 5 CEBDRO C[C@H](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC000853799401 643905063 /nfs/dbraw/zinc/90/50/63/643905063.db2.gz POVDYOLXXZEXNG-SECBINFHSA-N 1 0 282.300 2.255 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111829062 643966163 /nfs/dbraw/zinc/96/61/63/643966163.db2.gz WGIKGPGGWIWZQW-VIFPVBQESA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@@H](NCC1([NH3+])CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222518 644015616 /nfs/dbraw/zinc/01/56/16/644015616.db2.gz HRZQFSKHVMBVCX-SNVBAGLBSA-N 1 0 278.356 2.099 20 5 CEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497497 644071726 /nfs/dbraw/zinc/07/17/26/644071726.db2.gz QYFPPMSGCSVQBF-VIFPVBQESA-N 1 0 294.355 2.282 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000754516518 644384375 /nfs/dbraw/zinc/38/43/75/644384375.db2.gz NXFCWFXABMPFJG-RRFJBIMHSA-N 1 0 294.351 2.175 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000754524465 644384795 /nfs/dbraw/zinc/38/47/95/644384795.db2.gz XZCFAXTURSYCCT-ZDUSSCGKSA-N 1 0 278.308 2.026 20 5 CEBDRO Cn1cc(CN2CC[C@](C)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000877810839 650917110 /nfs/dbraw/zinc/91/71/10/650917110.db2.gz PGFXKXMOUFPYOT-JTQLQIEISA-N 1 0 292.261 2.103 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000757703016 644838041 /nfs/dbraw/zinc/83/80/41/644838041.db2.gz FUNAAGXTZLPXHR-WFASDCNBSA-N 1 0 289.379 2.476 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000771915661 646569773 /nfs/dbraw/zinc/56/97/73/646569773.db2.gz HEHIBRPIWBVFDG-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO [NH3+][C@H]1CC=C(c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000863671196 646786537 /nfs/dbraw/zinc/78/65/37/646786537.db2.gz XQYZVBNMUZCWOL-ZETCQYMHSA-N 1 0 278.293 2.211 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865503366 647328982 /nfs/dbraw/zinc/32/89/82/647328982.db2.gz WBLXSAZTOLCFPD-JTQLQIEISA-N 1 0 299.346 2.368 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787538 647465113 /nfs/dbraw/zinc/46/51/13/647465113.db2.gz PREDWCVSGPVMPZ-KGYLQXTDSA-N 1 0 292.335 2.190 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000866205259 647668129 /nfs/dbraw/zinc/66/81/29/647668129.db2.gz KSXPMZSEKMHADK-ZJUUUORDSA-N 1 0 267.354 2.187 20 5 CEBDRO COCC1([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866323140 647736249 /nfs/dbraw/zinc/73/62/49/647736249.db2.gz DVCLXFBLDPSAPX-SNVBAGLBSA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866334575 647740434 /nfs/dbraw/zinc/74/04/34/647740434.db2.gz BEKPIAYXZUUZKE-DCAQKATOSA-N 1 0 284.331 2.414 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000866346995 647748672 /nfs/dbraw/zinc/74/86/72/647748672.db2.gz IPWQINHNTPSXEX-GYSYKLTISA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866349852 647749967 /nfs/dbraw/zinc/74/99/67/647749967.db2.gz PTCDFSKSXCYXPY-GHMZBOCLSA-N 1 0 284.331 2.416 20 5 CEBDRO CC1(C)CC[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000866700241 647874034 /nfs/dbraw/zinc/87/40/34/647874034.db2.gz URGMAFKKZZJRMD-UHFFFAOYSA-N 1 0 293.367 2.048 20 5 CEBDRO C[C@]([NH3+])(C(=O)NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945644 647997562 /nfs/dbraw/zinc/99/75/62/647997562.db2.gz ZGGXXAVNJRQHEK-OAHLLOKOSA-N 1 0 291.351 2.075 20 5 CEBDRO CC(C)C[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979878 648009417 /nfs/dbraw/zinc/00/94/17/648009417.db2.gz PPIMSSQDWFEXNE-NHYWBVRUSA-N 1 0 293.367 2.320 20 5 CEBDRO C[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000867983518 648010221 /nfs/dbraw/zinc/01/02/21/648010221.db2.gz POPJVQKRNPYESK-MEBBXXQBSA-N 1 0 293.367 2.320 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591877 648205586 /nfs/dbraw/zinc/20/55/86/648205586.db2.gz JGSSXKNJRJOZKY-HZMBPMFUSA-N 1 0 281.356 2.235 20 5 CEBDRO CCC(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1OC ZINC000871728911 649159929 /nfs/dbraw/zinc/15/99/29/649159929.db2.gz TUGZQFBXRDABOV-UHFFFAOYSA-N 1 0 253.258 2.012 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017271 649242259 /nfs/dbraw/zinc/24/22/59/649242259.db2.gz YAZVFJRXDNHTAE-DTWKUNHWSA-N 1 0 256.277 2.155 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081544 649266752 /nfs/dbraw/zinc/26/67/52/649266752.db2.gz ZHWADRKKOCZMGV-MWODSPESSA-N 1 0 268.288 2.298 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128798 649287154 /nfs/dbraw/zinc/28/71/54/649287154.db2.gz WXWCXTRZODJRRM-XRRVDJEJSA-N 1 0 292.335 2.443 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202469 649313560 /nfs/dbraw/zinc/31/35/60/649313560.db2.gz JJRIRAILXBESQE-WCQYABFASA-N 1 0 296.367 2.076 20 5 CEBDRO CS[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872224975 649321333 /nfs/dbraw/zinc/32/13/33/649321333.db2.gz TVZKOYFTHHXEAZ-DRZSPHRISA-N 1 0 282.365 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[NH+](C)C ZINC000873007486 649529713 /nfs/dbraw/zinc/52/97/13/649529713.db2.gz RLXINKDUGGOEBO-UHFFFAOYSA-N 1 0 265.357 2.253 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnn(C)c1 ZINC000873020338 649533478 /nfs/dbraw/zinc/53/34/78/649533478.db2.gz OPAYQXQYQVGFDI-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000873049767 649543808 /nfs/dbraw/zinc/54/38/08/649543808.db2.gz LQEMRRQQGOLXFK-CQSZACIVSA-N 1 0 264.325 2.072 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873056544 649545716 /nfs/dbraw/zinc/54/57/16/649545716.db2.gz GCOHTMWPJLYTTA-AWEZNQCLSA-N 1 0 298.408 2.415 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873106648 649558987 /nfs/dbraw/zinc/55/89/87/649558987.db2.gz DMBVQDWLUWPCGL-ITDFMYJTSA-N 1 0 264.325 2.320 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000873130383 649565098 /nfs/dbraw/zinc/56/50/98/649565098.db2.gz CVFXWJJDGXXPQQ-ZYHUDNBSSA-N 1 0 288.294 2.397 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873139265 649567365 /nfs/dbraw/zinc/56/73/65/649567365.db2.gz ZTAFWSXMJRBEFL-KGLIPLIRSA-N 1 0 264.325 2.479 20 5 CEBDRO Cc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873230350 649601932 /nfs/dbraw/zinc/60/19/32/649601932.db2.gz QAHWTHZKTJSHHE-HUUCEWRRSA-N 1 0 275.352 2.277 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)c(F)c1 ZINC000873230746 649601982 /nfs/dbraw/zinc/60/19/82/649601982.db2.gz XQJKXJSXZLEBOZ-KGLIPLIRSA-N 1 0 279.315 2.108 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000880143997 651392053 /nfs/dbraw/zinc/39/20/53/651392053.db2.gz UUVUGZQCWXTLFI-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(F)CC2)cc1 ZINC000880239701 651407051 /nfs/dbraw/zinc/40/70/51/651407051.db2.gz DKBVFZFDLDMOAA-ZDUSSCGKSA-N 1 0 268.288 2.062 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882304020 652026640 /nfs/dbraw/zinc/02/66/40/652026640.db2.gz FZKREXDRDBNGNU-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO CSC[C@H]1CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130920250 652355123 /nfs/dbraw/zinc/35/51/23/652355123.db2.gz GOUXPGUTFSLQIK-LLVKDONJSA-N 1 0 284.385 2.193 20 5 CEBDRO CON(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000883172035 652388636 /nfs/dbraw/zinc/38/86/36/652388636.db2.gz RLTOAQBAUYCBRB-FMIVXFBMSA-N 1 0 279.340 2.081 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000131444300 652427522 /nfs/dbraw/zinc/42/75/22/652427522.db2.gz DMLLHLVUHGXXKA-NSHDSACASA-N 1 0 293.367 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[NH2+]2)c1C ZINC000884018278 652631767 /nfs/dbraw/zinc/63/17/67/652631767.db2.gz RFFHTRRNAZTVEC-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1C ZINC000884017118 652631957 /nfs/dbraw/zinc/63/19/57/652631957.db2.gz NHDCWHLNSAUNFE-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064882 652688921 /nfs/dbraw/zinc/68/89/21/652688921.db2.gz WVRVOYCZZSJISJ-ZDUSSCGKSA-N 1 0 291.351 2.118 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884171352 652740152 /nfs/dbraw/zinc/74/01/52/652740152.db2.gz STTQMYKBARJVST-GWCFXTLKSA-N 1 0 291.351 2.208 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CC2)cc1 ZINC000134757720 652873114 /nfs/dbraw/zinc/87/31/14/652873114.db2.gz LAXKRWKNAFYWNB-ZDUSSCGKSA-N 1 0 250.298 2.018 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]2C1 ZINC000884489308 652883114 /nfs/dbraw/zinc/88/31/14/652883114.db2.gz VNICYHZQODMCAS-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO Cc1c(C)c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164642600 719210617 /nfs/dbraw/zinc/21/06/17/719210617.db2.gz WUKLWGUWUNEXQP-NXEZZACHSA-N 1 0 278.356 2.135 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001165037524 721887462 /nfs/dbraw/zinc/88/74/62/721887462.db2.gz YVAAVJZTTOPCLM-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO C[NH+](C)CC1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165043044 721942398 /nfs/dbraw/zinc/94/23/98/721942398.db2.gz ULTLQPQGVWKWNP-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168234763 806429239 /nfs/dbraw/zinc/42/92/39/806429239.db2.gz PZKPHHJINIBXMO-SKDRFNHKSA-N 1 0 271.267 2.154 20 5 CEBDRO Cc1c(CNCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000697919575 806757711 /nfs/dbraw/zinc/75/77/11/806757711.db2.gz HWJBDQUYRGCIOM-NSHDSACASA-N 1 0 265.357 2.333 20 5 CEBDRO C[NH+](C)CCOc1cc(NC2CSC2)ccc1[N+](=O)[O-] ZINC001168364845 806761874 /nfs/dbraw/zinc/76/18/74/806761874.db2.gz VGJGCHHHIMDBFK-UHFFFAOYSA-N 1 0 297.380 2.063 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC[NH3+] ZINC000037029625 802433964 /nfs/dbraw/zinc/43/39/64/802433964.db2.gz XLGIMIVPIPFNMC-UHFFFAOYSA-N 1 0 265.313 2.361 20 5 CEBDRO C/C=C(/C)C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266671522 802828909 /nfs/dbraw/zinc/82/89/09/802828909.db2.gz SJPAFTQCLHZBMW-QCDXTXTGSA-N 1 0 291.351 2.109 20 5 CEBDRO [NH3+]Cc1cccn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001167589861 803169724 /nfs/dbraw/zinc/16/97/24/803169724.db2.gz NPVCRRFVLIFSHM-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO [NH3+]Cc1cccn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001167596204 803178885 /nfs/dbraw/zinc/17/88/85/803178885.db2.gz WBKXAVQKELVAKV-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC23CC(O)C3)c1 ZINC000724976938 803376961 /nfs/dbraw/zinc/37/69/61/803376961.db2.gz UPPLHBJCYXKEHZ-YXMLORGKSA-N 1 0 282.727 2.251 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218387203 803595737 /nfs/dbraw/zinc/59/57/37/803595737.db2.gz XPKKNTZZCZJPNI-QUBYGPBYSA-N 1 0 276.214 2.353 20 5 CEBDRO C[NH2+][C@H](C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001117953625 814968496 /nfs/dbraw/zinc/96/84/96/814968496.db2.gz JUJFQLDYUFBDSP-SMYYYNMVSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000696078124 807134805 /nfs/dbraw/zinc/13/48/05/807134805.db2.gz CSKLJIVAZFIRNO-VIFPVBQESA-N 1 0 284.743 2.499 20 5 CEBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070196377 808187607 /nfs/dbraw/zinc/18/76/07/808187607.db2.gz POXAFAJNTCSKKW-AWEZNQCLSA-N 1 0 283.331 2.485 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771843 808830856 /nfs/dbraw/zinc/83/08/56/808830856.db2.gz DQFCJYDLGLBWRU-NSHDSACASA-N 1 0 289.339 2.367 20 5 CEBDRO O=C(CC[NH2+][C@H]1C=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001120584000 815241333 /nfs/dbraw/zinc/24/13/33/815241333.db2.gz YBMUSIPAKMOVNN-NSHDSACASA-N 1 0 275.308 2.232 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001120597331 815243444 /nfs/dbraw/zinc/24/34/44/815243444.db2.gz RCYHEXCMSIMYBR-HOTGVXAUSA-N 1 0 289.379 2.005 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000700625909 809333195 /nfs/dbraw/zinc/33/31/95/809333195.db2.gz KPDBIDKFABHIEG-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627980 809333267 /nfs/dbraw/zinc/33/32/67/809333267.db2.gz VSZHIJCFWLNJBO-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000701047595 809384075 /nfs/dbraw/zinc/38/40/75/809384075.db2.gz HQZOOHVXTDUAHY-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000702061292 809492194 /nfs/dbraw/zinc/49/21/94/809492194.db2.gz APHLCBHOBVVSHL-CYBMUJFWSA-N 1 0 297.742 2.105 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702636995 809573114 /nfs/dbraw/zinc/57/31/14/809573114.db2.gz WIFCXYSCRBFQBU-LDYMZIIASA-N 1 0 269.732 2.170 20 5 CEBDRO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001121008578 815305486 /nfs/dbraw/zinc/30/54/86/815305486.db2.gz NTTSJRWYOHEMBE-SDDRHHMPSA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000694693882 809854556 /nfs/dbraw/zinc/85/45/56/809854556.db2.gz MPFWFOMTQVLMLV-HZMBPMFUSA-N 1 0 282.315 2.184 20 5 CEBDRO C[NH2+]CCN(C)c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001163721357 810179845 /nfs/dbraw/zinc/17/98/45/810179845.db2.gz YKIXHKKPRVTHOP-UHFFFAOYSA-N 1 0 294.742 2.452 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164062196 810272966 /nfs/dbraw/zinc/27/29/66/810272966.db2.gz JTRKBWJYHKTFHR-IUCAKERBSA-N 1 0 284.747 2.207 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001121855225 815360357 /nfs/dbraw/zinc/36/03/57/815360357.db2.gz WAOBRWMCLCDCMF-CYBMUJFWSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1c(C)c(N2C[C@@H](C[NH3+])CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164469273 810375116 /nfs/dbraw/zinc/37/51/16/810375116.db2.gz ZLNHVITVKVXWND-JOYOIKCWSA-N 1 0 278.356 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@]13CCOC3)CC2 ZINC001119434929 810475621 /nfs/dbraw/zinc/47/56/21/810475621.db2.gz JERXHFZQXWWOKR-HOCLYGCPSA-N 1 0 288.347 2.380 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061268 810654482 /nfs/dbraw/zinc/65/44/82/810654482.db2.gz ABQONJYBOYDTKM-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979016 811308391 /nfs/dbraw/zinc/30/83/91/811308391.db2.gz WENUWGLZHKUOFM-ARILJUKYSA-N 1 0 281.400 2.037 20 5 CEBDRO Cc1cccc(C(=[NH2+])N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168982928 811309201 /nfs/dbraw/zinc/30/92/01/811309201.db2.gz JGBXEUPLHWFPLC-DGCLKSJQSA-N 1 0 261.325 2.355 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001168959555 811314545 /nfs/dbraw/zinc/31/45/45/811314545.db2.gz WQKLAMOZBGFWPX-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO CN(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965667 811317138 /nfs/dbraw/zinc/31/71/38/811317138.db2.gz BTGNCCHYCHTQEH-UONOGXRCSA-N 1 0 277.368 2.158 20 5 CEBDRO Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966480 811319540 /nfs/dbraw/zinc/31/95/40/811319540.db2.gz IMKBUXWQPNYMAN-GYSYKLTISA-N 1 0 289.335 2.023 20 5 CEBDRO Cc1ccnc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168967619 811319610 /nfs/dbraw/zinc/31/96/10/811319610.db2.gz RHFWVFUYQMFRPE-XQQFMLRXSA-N 1 0 263.341 2.486 20 5 CEBDRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168967618 811319881 /nfs/dbraw/zinc/31/98/81/811319881.db2.gz RHFWVFUYQMFRPE-RWMBFGLXSA-N 1 0 263.341 2.486 20 5 CEBDRO CC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969526 811320684 /nfs/dbraw/zinc/32/06/84/811320684.db2.gz FEAVULIGNJXEAO-SNPRPXQTSA-N 1 0 276.336 2.352 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001168973274 811321215 /nfs/dbraw/zinc/32/12/15/811321215.db2.gz NQZDWCHMQANNQN-ZIAGYGMSSA-N 1 0 282.384 2.228 20 5 CEBDRO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972529 811322284 /nfs/dbraw/zinc/32/22/84/811322284.db2.gz NHPFSEUAHQLNNN-XDQVBPFNSA-N 1 0 284.400 2.351 20 5 CEBDRO CN(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168974890 811322739 /nfs/dbraw/zinc/32/27/39/811322739.db2.gz SRXYTQPNKPBHHT-HOTGVXAUSA-N 1 0 291.395 2.153 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)C1 ZINC001168993581 811324483 /nfs/dbraw/zinc/32/44/83/811324483.db2.gz NKCMXIURYHUTLA-NFAWXSAZSA-N 1 0 290.363 2.273 20 5 CEBDRO Cc1ccnc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996943 811325222 /nfs/dbraw/zinc/32/52/22/811325222.db2.gz ADJRKXNTSNZFAF-KGLIPLIRSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC001168992430 811325525 /nfs/dbraw/zinc/32/55/25/811325525.db2.gz JVBNCUVIOPMFDK-WBMJQRKESA-N 1 0 274.364 2.436 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC001169002676 811328291 /nfs/dbraw/zinc/32/82/91/811328291.db2.gz LUUKMDPOPOCUQS-NWDGAFQWSA-N 1 0 258.387 2.165 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cnccc32)C1 ZINC001169004446 811330417 /nfs/dbraw/zinc/33/04/17/811330417.db2.gz QYDGZWKRUHUPMJ-OSAQELSMSA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3nccnc23)C1 ZINC001169005842 811331029 /nfs/dbraw/zinc/33/10/29/811331029.db2.gz UZWLLYGVEXVAFJ-WCQYABFASA-N 1 0 286.335 2.165 20 5 CEBDRO Nc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169010209 811334344 /nfs/dbraw/zinc/33/43/44/811334344.db2.gz ZVLRCCDXASIIIQ-SMDDNHRTSA-N 1 0 275.352 2.293 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168986810 811335741 /nfs/dbraw/zinc/33/57/41/811335741.db2.gz ZSMMOTCANNGOEQ-NEPJUHHUSA-N 1 0 263.341 2.352 20 5 CEBDRO [NH3+]Cc1ccc2cn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)nc2c1 ZINC001168987775 811337903 /nfs/dbraw/zinc/33/79/03/811337903.db2.gz KDBDLNVAGRGNSN-YPMHNXCESA-N 1 0 274.324 2.113 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989340 811339411 /nfs/dbraw/zinc/33/94/11/811339411.db2.gz WENUWGLZHKUOFM-YYFQZIEXSA-N 1 0 281.400 2.037 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989337 811339562 /nfs/dbraw/zinc/33/95/62/811339562.db2.gz WENUWGLZHKUOFM-AIEDFZFUSA-N 1 0 281.400 2.037 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035965 811346417 /nfs/dbraw/zinc/34/64/17/811346417.db2.gz MJOQWYHQKMQSBX-RISCZKNCSA-N 1 0 276.336 2.456 20 5 CEBDRO CCOCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036389 811347192 /nfs/dbraw/zinc/34/71/92/811347192.db2.gz FRUCTIUWSKQPLR-ZIAGYGMSSA-N 1 0 270.373 2.180 20 5 CEBDRO C[NH2+]Cc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169025919 811353873 /nfs/dbraw/zinc/35/38/73/811353873.db2.gz JXLXVSVBNIHUEV-OCCSQVGLSA-N 1 0 263.341 2.263 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001169023918 811354675 /nfs/dbraw/zinc/35/46/75/811354675.db2.gz VJTMQTOGFGOBFQ-SMDDNHRTSA-N 1 0 276.336 2.196 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001169057710 811358326 /nfs/dbraw/zinc/35/83/26/811358326.db2.gz XEJFXFRCHQJDSC-BXKDBHETSA-N 1 0 281.743 2.496 20 5 CEBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1cnccn1 ZINC001169534237 811557891 /nfs/dbraw/zinc/55/78/91/811557891.db2.gz QZFUIEUKSOXGBE-VIFPVBQESA-N 1 0 285.307 2.161 20 5 CEBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001156376331 811669048 /nfs/dbraw/zinc/66/90/48/811669048.db2.gz MZSBHWHEQMGUGC-NOZJJQNGSA-N 1 0 296.758 2.031 20 5 CEBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001156376795 811669079 /nfs/dbraw/zinc/66/90/79/811669079.db2.gz UIEZGSLVYFHNDM-NOZJJQNGSA-N 1 0 296.758 2.031 20 5 CEBDRO COc1cc(N(C)C(C)(C)C[NH3+])cc([N+](=O)[O-])c1C ZINC001170059654 812017199 /nfs/dbraw/zinc/01/71/99/812017199.db2.gz QIVSVWSGIXXKEM-UHFFFAOYSA-N 1 0 267.329 2.085 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001157401632 812136946 /nfs/dbraw/zinc/13/69/46/812136946.db2.gz OBESOGPPJYTKLO-UHFFFAOYSA-N 1 0 264.329 2.161 20 5 CEBDRO COc1ccc(C[C@@H](C)n2cnc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170298376 812377216 /nfs/dbraw/zinc/37/72/16/812377216.db2.gz KLFDKFDLXCUZFX-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)[NH+]2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327750 812387111 /nfs/dbraw/zinc/38/71/11/812387111.db2.gz HLWFQLKNGIOYGE-NSHDSACASA-N 1 0 264.325 2.486 20 5 CEBDRO CCC1(Nc2nc(Cl)cc(C)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779444 812455535 /nfs/dbraw/zinc/45/55/35/812455535.db2.gz WMROUJJCEMGGOZ-UHFFFAOYSA-N 1 0 270.720 2.116 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(COC3)C1)CC2 ZINC001172908736 815541010 /nfs/dbraw/zinc/54/10/10/815541010.db2.gz NCSCOLKKRHIATL-AWEZNQCLSA-N 1 0 288.347 2.174 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001158177269 812624781 /nfs/dbraw/zinc/62/47/81/812624781.db2.gz RSZADARFVVBMBI-RKDXNWHRSA-N 1 0 284.747 2.138 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895411 815542654 /nfs/dbraw/zinc/54/26/54/815542654.db2.gz CRNAYPUMTDEWKV-LSDHHAIUSA-N 1 0 289.379 2.136 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158435243 812706682 /nfs/dbraw/zinc/70/66/82/812706682.db2.gz WXBXTNCGLCQHKN-GFCCVEGCSA-N 1 0 284.319 2.037 20 5 CEBDRO C[NH+](C)C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910094 815557921 /nfs/dbraw/zinc/55/79/21/815557921.db2.gz WWINVIXOIFDHSY-CQSZACIVSA-N 1 0 289.379 2.088 20 5 CEBDRO O=[N+]([O-])c1c(Cl)ccnc1NC[C@@H]1CCCC[NH2+]1 ZINC001160145583 813731030 /nfs/dbraw/zinc/73/10/30/813731030.db2.gz TWEAZUVCSXIPTQ-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCO2)c1F ZINC001173179225 815617136 /nfs/dbraw/zinc/61/71/36/815617136.db2.gz OJCWRBZIMZINDV-VHSXEESVSA-N 1 0 298.314 2.052 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@@H]1CCCC[NH2+]1 ZINC001171329034 814548937 /nfs/dbraw/zinc/54/89/37/814548937.db2.gz SZXJOXFTQMMJAK-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO COc1cc(NC[C@@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001171336087 814608762 /nfs/dbraw/zinc/60/87/62/814608762.db2.gz XCFOMYCERQJLAH-NSHDSACASA-N 1 0 279.340 2.466 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712548731 814765918 /nfs/dbraw/zinc/76/59/18/814765918.db2.gz OBADQBOXOXROKR-QMMMGPOBSA-N 1 0 293.352 2.106 20 5 CEBDRO [NH3+]CCN(Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000713315550 814849568 /nfs/dbraw/zinc/84/95/68/814849568.db2.gz KFRHEZLKAQYSKZ-UHFFFAOYSA-N 1 0 295.236 2.057 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000713505299 814860291 /nfs/dbraw/zinc/86/02/91/814860291.db2.gz DBSBFXLFXPDZMJ-XGACYXMMSA-N 1 0 262.309 2.350 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](C)C ZINC001117280329 814913608 /nfs/dbraw/zinc/91/36/08/814913608.db2.gz YIMMUYMUBOFQEU-GFCCVEGCSA-N 1 0 280.372 2.108 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001117312603 814913941 /nfs/dbraw/zinc/91/39/41/814913941.db2.gz WTDIGPNLZAVJSY-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cc(C[NH3+])nn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215101 815623533 /nfs/dbraw/zinc/62/35/33/815623533.db2.gz SBNKGCZFHDXFEG-SNVBAGLBSA-N 1 0 274.324 2.362 20 5 CEBDRO CCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173217912 815624657 /nfs/dbraw/zinc/62/46/57/815624657.db2.gz NGQQXLBBMPMQDU-NSHDSACASA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1O ZINC001173218639 815625090 /nfs/dbraw/zinc/62/50/90/815625090.db2.gz RFBRLYNSGMZJGS-GDLCADMTSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1C[NH3+] ZINC001173220574 815625846 /nfs/dbraw/zinc/62/58/46/815625846.db2.gz FXSOASXGNLYPJV-NSHDSACASA-N 1 0 286.335 2.492 20 5 CEBDRO CC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222752 815627915 /nfs/dbraw/zinc/62/79/15/815627915.db2.gz VHDKCIGUTHQNLB-JTQLQIEISA-N 1 0 250.298 2.047 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222136 815628145 /nfs/dbraw/zinc/62/81/45/815628145.db2.gz PIAPNQMOCYVDTE-RISCZKNCSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(O)CC1 ZINC001173224854 815628990 /nfs/dbraw/zinc/62/89/90/815628990.db2.gz HEEZCDVIQDSGJU-LBPRGKRZSA-N 1 0 278.352 2.373 20 5 CEBDRO COC(=O)CC1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225632 815629312 /nfs/dbraw/zinc/62/93/12/815629312.db2.gz DYZPQHMLQIMOIS-NSHDSACASA-N 1 0 292.335 2.021 20 5 CEBDRO CC[N@H+](CCC(=O)OC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230255 815632372 /nfs/dbraw/zinc/63/23/72/815632372.db2.gz DKAZDSDQFBASFZ-LBPRGKRZSA-N 1 0 294.351 2.411 20 5 CEBDRO Cc1nonc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213500 815637351 /nfs/dbraw/zinc/63/73/51/815637351.db2.gz HXRVMANVWNKTAR-VIFPVBQESA-N 1 0 276.296 2.007 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC001178267783 816721314 /nfs/dbraw/zinc/72/13/14/816721314.db2.gz OIFUQDCIZWRBEX-ZDUSSCGKSA-N 1 0 286.335 2.273 20 5 CEBDRO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])o1 ZINC001179304707 816848061 /nfs/dbraw/zinc/84/80/61/816848061.db2.gz WQYJTFSHSVDWQA-UHFFFAOYSA-N 1 0 272.220 2.088 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)F ZINC000449092959 282097372 /nfs/dbraw/zinc/09/73/72/282097372.db2.gz NJLIAWUJKRRHGD-GZMMTYOYSA-N 1 0 292.257 2.039 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)F ZINC000449092961 282097449 /nfs/dbraw/zinc/09/74/49/282097449.db2.gz NJLIAWUJKRRHGD-KWQFWETISA-N 1 0 292.257 2.039 20 5 CEBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294959207 199270968 /nfs/dbraw/zinc/27/09/68/199270968.db2.gz DQNVOAXPRYQPLL-APPZFPTMSA-N 1 0 280.296 2.151 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294961106 199272164 /nfs/dbraw/zinc/27/21/64/199272164.db2.gz FVOKOCKNHVKUAN-VXGBXAGGSA-N 1 0 293.367 2.469 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[C@H]1O ZINC000601320350 346819804 /nfs/dbraw/zinc/81/98/04/346819804.db2.gz FSRNPUDSUQONJD-VNHYZAJKSA-N 1 0 276.336 2.475 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324533 346821466 /nfs/dbraw/zinc/82/14/66/346821466.db2.gz PODLLADJRZZVGQ-CYBMUJFWSA-N 1 0 263.341 2.298 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000601324929 346821480 /nfs/dbraw/zinc/82/14/80/346821480.db2.gz QXKLAYZKSKOAAF-LLVKDONJSA-N 1 0 269.370 2.360 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601330594 346822142 /nfs/dbraw/zinc/82/21/42/346822142.db2.gz UYXHTNQDADOYGU-LDYMZIIASA-N 1 0 269.732 2.170 20 5 CEBDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036780801 361856321 /nfs/dbraw/zinc/85/63/21/361856321.db2.gz HGPJGYRMEMWZKL-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO CCCNC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036780884 361856581 /nfs/dbraw/zinc/85/65/81/361856581.db2.gz BKVGLEVWPKOIFO-CYBMUJFWSA-N 1 0 279.340 2.162 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766566 361932718 /nfs/dbraw/zinc/93/27/18/361932718.db2.gz JALXYDDMDIHGNN-HZMBPMFUSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775634 361935974 /nfs/dbraw/zinc/93/59/74/361935974.db2.gz WIRQQOPGSJJKOA-SECBINFHSA-N 1 0 260.297 2.477 20 5 CEBDRO CC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000037977178 361969516 /nfs/dbraw/zinc/96/95/16/361969516.db2.gz SFVGHZXBGNKHLM-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000040774781 361997424 /nfs/dbraw/zinc/99/74/24/361997424.db2.gz SZUOZKLQTAUVOZ-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125526434 187189404 /nfs/dbraw/zinc/18/94/04/187189404.db2.gz UACHVVMHHUNJTC-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO O=C(CC[NH2+]CCCCF)Nc1ccccc1[N+](=O)[O-] ZINC000567707946 299079444 /nfs/dbraw/zinc/07/94/44/299079444.db2.gz GCAWKZSQCHLRPI-UHFFFAOYSA-N 1 0 283.303 2.263 20 5 CEBDRO Cc1cc(N2CCC([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000080598761 344015680 /nfs/dbraw/zinc/01/56/80/344015680.db2.gz BWLKOVUFWVGHLW-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000080605531 344015999 /nfs/dbraw/zinc/01/59/99/344015999.db2.gz IEFADEQUZYIQOX-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879451 187203389 /nfs/dbraw/zinc/20/33/89/187203389.db2.gz WUHBMTIOERYVFK-WCQYABFASA-N 1 0 291.351 2.256 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000126002155 365694492 /nfs/dbraw/zinc/69/44/92/365694492.db2.gz PXRABQPIOHNJOE-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc(-n2cc(CN3CCCCC3)nn2)cc1 ZINC000035899059 343422307 /nfs/dbraw/zinc/42/23/07/343422307.db2.gz TYYQVACYHQAHSJ-UHFFFAOYSA-N 1 0 287.323 2.161 20 5 CEBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000047460257 343516586 /nfs/dbraw/zinc/51/65/86/343516586.db2.gz SBYFRKRXGAHYII-UHFFFAOYSA-N 1 0 288.307 2.237 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)s1 ZINC000048999778 343533869 /nfs/dbraw/zinc/53/38/69/343533869.db2.gz ZKHZDWBPMZLHDV-UHFFFAOYSA-N 1 0 285.369 2.181 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000601973709 346946994 /nfs/dbraw/zinc/94/69/94/346946994.db2.gz JAKYOBUKKXYDOO-JTQLQIEISA-N 1 0 297.380 2.164 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1(CO)CC1 ZINC000449580447 282290900 /nfs/dbraw/zinc/29/09/00/282290900.db2.gz QNLBAPJBDFZHGG-HYXAFXHYSA-N 1 0 276.336 2.360 20 5 CEBDRO CC(C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000065961951 343704938 /nfs/dbraw/zinc/70/49/38/343704938.db2.gz PTFBNLCMGQOKOV-UHFFFAOYSA-N 1 0 279.340 2.145 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000066808634 343722384 /nfs/dbraw/zinc/72/23/84/343722384.db2.gz AUTLMYQYRSPZCF-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO CC[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000066808811 343722391 /nfs/dbraw/zinc/72/23/91/343722391.db2.gz FZCYZPAJYVKRRL-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602151517 346983007 /nfs/dbraw/zinc/98/30/07/346983007.db2.gz JVWIXMAFOSTTBJ-GFCCVEGCSA-N 1 0 291.351 2.492 20 5 CEBDRO CCO[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404583 343890280 /nfs/dbraw/zinc/89/02/80/343890280.db2.gz JTCZAUHRZCNHGB-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)cn1 ZINC000078433110 343952959 /nfs/dbraw/zinc/95/29/59/343952959.db2.gz LNIVUKKTUKUNHN-UHFFFAOYSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000091485382 344165997 /nfs/dbraw/zinc/16/59/97/344165997.db2.gz XSUZSUGIIZOCIK-RISCZKNCSA-N 1 0 263.341 2.371 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927530 344131608 /nfs/dbraw/zinc/13/16/08/344131608.db2.gz IHWGIBNWCONVLN-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093334625 344220604 /nfs/dbraw/zinc/22/06/04/344220604.db2.gz HLJCOUVABXNRCN-IINYFYTJSA-N 1 0 264.325 2.106 20 5 CEBDRO COC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000123146896 344309146 /nfs/dbraw/zinc/30/91/46/344309146.db2.gz XCUBRIXRDRIWSZ-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cccn2)c(Cl)c1 ZINC000049963570 362387880 /nfs/dbraw/zinc/38/78/80/362387880.db2.gz WGJYRLMEPGDIOX-UHFFFAOYSA-N 1 0 280.715 2.235 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497347 344553444 /nfs/dbraw/zinc/55/34/44/344553444.db2.gz PHJOOSZOQRTXQO-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000228560632 344560874 /nfs/dbraw/zinc/56/08/74/344560874.db2.gz PSZKLEDSTYKLSV-JTQLQIEISA-N 1 0 278.243 2.208 20 5 CEBDRO CC(C)([NH3+])CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236843997 344598129 /nfs/dbraw/zinc/59/81/29/344598129.db2.gz XFMURBRPDFCPGG-UHFFFAOYSA-N 1 0 293.367 2.161 20 5 CEBDRO CCn1ccnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000051924049 362451094 /nfs/dbraw/zinc/45/10/94/362451094.db2.gz LNUSFEPWMNLUGN-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000237573068 344602300 /nfs/dbraw/zinc/60/23/00/344602300.db2.gz XYEVHZPCPXTBPA-NSHDSACASA-N 1 0 291.351 2.352 20 5 CEBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270854000 344666632 /nfs/dbraw/zinc/66/66/32/344666632.db2.gz HECNASPFVUIOMW-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602516316 347063378 /nfs/dbraw/zinc/06/33/78/347063378.db2.gz YQKMFUTUDGQOLW-NEPJUHHUSA-N 1 0 290.367 2.204 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305153125 344709609 /nfs/dbraw/zinc/70/96/09/344709609.db2.gz UTRRQUXOBVGYAJ-RYUDHWBXSA-N 1 0 266.341 2.276 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414660573 530044527 /nfs/dbraw/zinc/04/45/27/530044527.db2.gz OQDYMLLPYZHQGY-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552865 347074080 /nfs/dbraw/zinc/07/40/80/347074080.db2.gz YOJCQCHAQGPWOM-SECBINFHSA-N 1 0 279.296 2.251 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773264 282362528 /nfs/dbraw/zinc/36/25/28/282362528.db2.gz JSODOEUZQYQCAX-ZDUSSCGKSA-N 1 0 293.367 2.332 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401156501 344866540 /nfs/dbraw/zinc/86/65/40/344866540.db2.gz IPQDKCIJGOKBRE-SNVBAGLBSA-N 1 0 268.292 2.025 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000401151511 344866549 /nfs/dbraw/zinc/86/65/49/344866549.db2.gz FQVNWBJGOPIWDA-SCZZXKLOSA-N 1 0 268.292 2.024 20 5 CEBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])s1 ZINC000401653641 344869115 /nfs/dbraw/zinc/86/91/15/344869115.db2.gz IDVZIYIVENSFSH-JTQLQIEISA-N 1 0 295.364 2.061 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301033 344872471 /nfs/dbraw/zinc/87/24/71/344872471.db2.gz JPKQSESOGLSPPT-SCVCMEIPSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000407303499 344885916 /nfs/dbraw/zinc/88/59/16/344885916.db2.gz CFUMVXYCGFAQDC-QWHCGFSZSA-N 1 0 289.335 2.372 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000127311041 187295827 /nfs/dbraw/zinc/29/58/27/187295827.db2.gz XFCJCYUKPLIQLP-CQSZACIVSA-N 1 0 291.351 2.232 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071832 345037527 /nfs/dbraw/zinc/03/75/27/345037527.db2.gz CWJSBEJBSXFIMO-NWDGAFQWSA-N 1 0 276.340 2.053 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000588819010 345056395 /nfs/dbraw/zinc/05/63/95/345056395.db2.gz GIRLVLKDKJJTAV-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C2CC2)C2COC2)cc1 ZINC000590745263 345172890 /nfs/dbraw/zinc/17/28/90/345172890.db2.gz ZGXXOGBNGKIYIW-UHFFFAOYSA-N 1 0 292.335 2.227 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000590536689 345144117 /nfs/dbraw/zinc/14/41/17/345144117.db2.gz NCPXWKDJJLFTOE-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000591147469 345224980 /nfs/dbraw/zinc/22/49/80/345224980.db2.gz CODBXWCVKFJCTK-ZWNOBZJWSA-N 1 0 296.346 2.295 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000591278548 345237515 /nfs/dbraw/zinc/23/75/15/345237515.db2.gz OQWMUZFIZRXIML-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000591296399 345237914 /nfs/dbraw/zinc/23/79/14/345237914.db2.gz GWKXZOJONJXDQM-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591448917 345257010 /nfs/dbraw/zinc/25/70/10/345257010.db2.gz QCRJLPUBRYTFQM-MFKMUULPSA-N 1 0 295.770 2.432 20 5 CEBDRO CN(CCC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000591678978 345273940 /nfs/dbraw/zinc/27/39/40/345273940.db2.gz LSHSSRAGUKHGNV-UHFFFAOYSA-N 1 0 293.348 2.230 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1C=CCCC1 ZINC000591751613 345277389 /nfs/dbraw/zinc/27/73/89/345277389.db2.gz JGCQRQWMVZTWBF-STQMWFEESA-N 1 0 292.335 2.033 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427762 345351679 /nfs/dbraw/zinc/35/16/79/345351679.db2.gz ZDQUCQYUOMMTSC-ZIAGYGMSSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592427619 345351766 /nfs/dbraw/zinc/35/17/66/345351766.db2.gz HYTCLRLEKXMKRL-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000592437244 345353331 /nfs/dbraw/zinc/35/33/31/345353331.db2.gz DGXTVCLJJGGWSL-CQSZACIVSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1cncc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000592996768 345420514 /nfs/dbraw/zinc/42/05/14/345420514.db2.gz MBRJFBXHIPAAHE-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CCO ZINC000593107040 345440733 /nfs/dbraw/zinc/44/07/33/345440733.db2.gz FBISISSRIOPUJL-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO Cc1cnc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000097934177 232189284 /nfs/dbraw/zinc/18/92/84/232189284.db2.gz SZXLUEIZNINCGX-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000127406696 187303297 /nfs/dbraw/zinc/30/32/97/187303297.db2.gz WLLQPZKDXKHNTK-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592833322 345402371 /nfs/dbraw/zinc/40/23/71/345402371.db2.gz YNNWBEZSTNBHGG-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000593482096 345495296 /nfs/dbraw/zinc/49/52/96/345495296.db2.gz NIAJKTHNRSWZOV-BZNIZROVSA-N 1 0 298.346 2.283 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1CCCCC1 ZINC000593517224 345501945 /nfs/dbraw/zinc/50/19/45/345501945.db2.gz QWBXENQMPQKOPK-UHFFFAOYSA-N 1 0 295.387 2.042 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602578606 347086375 /nfs/dbraw/zinc/08/63/75/347086375.db2.gz OIFASLRIGCOVQP-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593901171 345550315 /nfs/dbraw/zinc/55/03/15/345550315.db2.gz ADJAHPXQTZHZJJ-NEPJUHHUSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594055958 345575369 /nfs/dbraw/zinc/57/53/69/345575369.db2.gz QPPUHWZEZRRTGW-GFCCVEGCSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066257 345738854 /nfs/dbraw/zinc/73/88/54/345738854.db2.gz HBZXUOPRGYEXLC-MFKMUULPSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C/CO ZINC000595074885 345740001 /nfs/dbraw/zinc/74/00/01/345740001.db2.gz XKOHQMUJPACPKL-PGLGOXFNSA-N 1 0 250.298 2.102 20 5 CEBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595288271 345754398 /nfs/dbraw/zinc/75/43/98/345754398.db2.gz MRDPXSQBBKJWKM-UKRRQHHQSA-N 1 0 294.351 2.078 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921479 345702621 /nfs/dbraw/zinc/70/26/21/345702621.db2.gz BWPWKYDJINYIOA-WCQYABFASA-N 1 0 280.324 2.131 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000594929452 345706252 /nfs/dbraw/zinc/70/62/52/345706252.db2.gz JYVJVNRBWJZQGD-STQMWFEESA-N 1 0 264.325 2.294 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950986 345714737 /nfs/dbraw/zinc/71/47/37/345714737.db2.gz LQZICFUELVKVRY-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000594973464 345720165 /nfs/dbraw/zinc/72/01/65/345720165.db2.gz CGPJPCFYZLXGLF-GFCCVEGCSA-N 1 0 292.335 2.405 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC000594983946 345721536 /nfs/dbraw/zinc/72/15/36/345721536.db2.gz RRCPQHXPFITNIJ-UHFFFAOYSA-N 1 0 276.336 2.236 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000595034354 345731545 /nfs/dbraw/zinc/73/15/45/345731545.db2.gz WPLVMIYXJGRCFM-FZZIBODNSA-N 1 0 294.351 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC1 ZINC000595036132 345732151 /nfs/dbraw/zinc/73/21/51/345732151.db2.gz PNEKHHGCBDOFIV-UWVGGRQHSA-N 1 0 266.297 2.043 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000595050728 345734917 /nfs/dbraw/zinc/73/49/17/345734917.db2.gz JSHQNHHMALWOJA-YGRLFVJLSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595563140 345814201 /nfs/dbraw/zinc/81/42/01/345814201.db2.gz ODKDPNKLYDSWTA-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595592632 345820700 /nfs/dbraw/zinc/82/07/00/345820700.db2.gz HLFCYIPNSLIFTC-GXTWGEPZSA-N 1 0 296.367 2.455 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388846 345772116 /nfs/dbraw/zinc/77/21/16/345772116.db2.gz XRVYLNJSQATBCZ-ZDUSSCGKSA-N 1 0 282.315 2.469 20 5 CEBDRO COC[C@H]1CCCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595438273 345782574 /nfs/dbraw/zinc/78/25/74/345782574.db2.gz FMYZPKCZVWDZOZ-NSHDSACASA-N 1 0 283.328 2.140 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595461588 345788891 /nfs/dbraw/zinc/78/88/91/345788891.db2.gz XOYJPACHTZLLMN-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595493496 345795093 /nfs/dbraw/zinc/79/50/93/345795093.db2.gz RUVIIZVUAKUXFK-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1COCCO1 ZINC000595742197 345864355 /nfs/dbraw/zinc/86/43/55/345864355.db2.gz PEBHLHRSZRXHLA-VXGBXAGGSA-N 1 0 280.324 2.003 20 5 CEBDRO Cc1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000602581046 347087715 /nfs/dbraw/zinc/08/77/15/347087715.db2.gz TZHJKXBSHWJQKY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595827865 345887623 /nfs/dbraw/zinc/88/76/23/345887623.db2.gz SUIOJAHTTFNZKR-VXGBXAGGSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595829894 345888103 /nfs/dbraw/zinc/88/81/03/345888103.db2.gz JISYPWGZCMPXHR-STQMWFEESA-N 1 0 262.309 2.063 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595829375 345888426 /nfs/dbraw/zinc/88/84/26/345888426.db2.gz HJAQJOHZDGSILA-OLZOCXBDSA-N 1 0 262.309 2.063 20 5 CEBDRO COc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000595749890 345865872 /nfs/dbraw/zinc/86/58/72/345865872.db2.gz NSLPMHTUPUFOKL-GHMZBOCLSA-N 1 0 294.351 2.052 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756453 345868498 /nfs/dbraw/zinc/86/84/98/345868498.db2.gz GFULTDXRMTWBFV-DOMZBBRYSA-N 1 0 292.335 2.072 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595785579 345875903 /nfs/dbraw/zinc/87/59/03/345875903.db2.gz YAPCBZBDCYBVCB-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808048 345880087 /nfs/dbraw/zinc/88/00/87/345880087.db2.gz KTFQLEQEXDTYRP-VXGBXAGGSA-N 1 0 262.309 2.315 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875534 345904130 /nfs/dbraw/zinc/90/41/30/345904130.db2.gz QMKCGDHMHBXILO-RISCZKNCSA-N 1 0 264.325 2.045 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595952043 345917337 /nfs/dbraw/zinc/91/73/37/345917337.db2.gz WLYXOUDLYWEJLL-CYBMUJFWSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950052 345917389 /nfs/dbraw/zinc/91/73/89/345917389.db2.gz IZCZFOACOOZSLF-CYBMUJFWSA-N 1 0 293.367 2.315 20 5 CEBDRO CCC[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596097156 345939548 /nfs/dbraw/zinc/93/95/48/345939548.db2.gz FOELOCCQWCDHOY-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000270607237 190741972 /nfs/dbraw/zinc/74/19/72/190741972.db2.gz ZOPOBMRDZSRKSY-UHFFFAOYSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429586 346021434 /nfs/dbraw/zinc/02/14/34/346021434.db2.gz IFRCIJZMPXCUKK-MRVPVSSYSA-N 1 0 295.368 2.352 20 5 CEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000596433836 346022559 /nfs/dbraw/zinc/02/25/59/346022559.db2.gz USHDQBFYOJPDPM-MRVPVSSYSA-N 1 0 270.308 2.068 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000596308397 345996053 /nfs/dbraw/zinc/99/60/53/345996053.db2.gz RNGZXMOMLIQMKZ-LBPRGKRZSA-N 1 0 292.383 2.252 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596334583 346002076 /nfs/dbraw/zinc/00/20/76/346002076.db2.gz CRKKDUDKBDBKQL-VIFPVBQESA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596626466 346067751 /nfs/dbraw/zinc/06/77/51/346067751.db2.gz NTRIXKCIZGFYKW-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC13CC(C1)C[NH2+]3)CCC2 ZINC000596653861 346073072 /nfs/dbraw/zinc/07/30/72/346073072.db2.gz LWYRLNBBYYCXGT-YWCUFVOSSA-N 1 0 287.363 2.314 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336788124 365808357 /nfs/dbraw/zinc/80/83/57/365808357.db2.gz OAHDFVPEXNFIGX-VIFPVBQESA-N 1 0 253.277 2.240 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598996731 346444272 /nfs/dbraw/zinc/44/42/72/346444272.db2.gz MGUKMXAJVJYEQY-KGLIPLIRSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592408 347091489 /nfs/dbraw/zinc/09/14/89/347091489.db2.gz FCEZHNITCQUTFZ-ZDUSSCGKSA-N 1 0 277.368 2.069 20 5 CEBDRO COc1cc(C[NH2+]CC2CC=CC2)c([N+](=O)[O-])cc1O ZINC000598991698 346443459 /nfs/dbraw/zinc/44/34/59/346443459.db2.gz BNNJNLAIGDTCNJ-UHFFFAOYSA-N 1 0 278.308 2.365 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599067299 346454721 /nfs/dbraw/zinc/45/47/21/346454721.db2.gz YZRODXFVMQWABU-NILFDRSVSA-N 1 0 294.351 2.094 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093165 346459141 /nfs/dbraw/zinc/45/91/41/346459141.db2.gz PMUUTLQSOASCMV-IRUJWGPZSA-N 1 0 250.298 2.423 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599140686 346466512 /nfs/dbraw/zinc/46/65/12/346466512.db2.gz XMWOTIWAZSHLOT-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000599573506 346540614 /nfs/dbraw/zinc/54/06/14/346540614.db2.gz QZBDBJQTTDRZOV-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236886261 370647129 /nfs/dbraw/zinc/64/71/29/370647129.db2.gz QNBWOLUTKJMGBS-CYBMUJFWSA-N 1 0 293.367 2.161 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000600707376 346674208 /nfs/dbraw/zinc/67/42/08/346674208.db2.gz HFIYGLHKGJVQBM-LEWSCRJBSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600710481 346675709 /nfs/dbraw/zinc/67/57/09/346675709.db2.gz RPNIUBIEDNJVNI-LEWSCRJBSA-N 1 0 263.341 2.386 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000600716608 346677316 /nfs/dbraw/zinc/67/73/16/346677316.db2.gz ZIVLPQNSPWOOMO-AWEZNQCLSA-N 1 0 263.341 2.025 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601139760 346766170 /nfs/dbraw/zinc/76/61/70/346766170.db2.gz JFJMSHDXOSPNQD-LBPRGKRZSA-N 1 0 282.340 2.244 20 5 CEBDRO Cc1scc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1C ZINC000601110774 346755530 /nfs/dbraw/zinc/75/55/30/346755530.db2.gz ISBHAMBQJFSTGG-UHFFFAOYSA-N 1 0 280.353 2.259 20 5 CEBDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000601266706 346806186 /nfs/dbraw/zinc/80/61/86/346806186.db2.gz DZJQAJAEHSEOFF-UHFFFAOYSA-N 1 0 292.335 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CCOCC3)cc1 ZINC000602688092 347146962 /nfs/dbraw/zinc/14/69/62/347146962.db2.gz KNZGYXKEVSHECD-UHFFFAOYSA-N 1 0 276.336 2.250 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689538 347148376 /nfs/dbraw/zinc/14/83/76/347148376.db2.gz FGCICKCWNXRFDS-GXSJLCMTSA-N 1 0 291.307 2.393 20 5 CEBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000063762075 362774865 /nfs/dbraw/zinc/77/48/65/362774865.db2.gz NMTVOKACTMDZJV-UHFFFAOYSA-N 1 0 266.297 2.303 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602778648 347194504 /nfs/dbraw/zinc/19/45/04/347194504.db2.gz MUACBKGEWWIEGR-NSHDSACASA-N 1 0 268.361 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000602801681 347205300 /nfs/dbraw/zinc/20/53/00/347205300.db2.gz YXXNAIFAZHCEJX-NSHDSACASA-N 1 0 289.339 2.188 20 5 CEBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602805336 347206848 /nfs/dbraw/zinc/20/68/48/347206848.db2.gz KDOJTFIWXFBGAR-QMMMGPOBSA-N 1 0 293.327 2.055 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602809313 347208459 /nfs/dbraw/zinc/20/84/59/347208459.db2.gz ATCIQBCTDUTDSN-CKYFFXLPSA-N 1 0 266.345 2.243 20 5 CEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602723339 347171357 /nfs/dbraw/zinc/17/13/57/347171357.db2.gz GQBDNJYSPYGNDQ-NHYWBVRUSA-N 1 0 292.335 2.226 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc[nH]1 ZINC000602729745 347174977 /nfs/dbraw/zinc/17/49/77/347174977.db2.gz CDQCAGXRPQQZJU-NSHDSACASA-N 1 0 274.324 2.429 20 5 CEBDRO CCC[C@@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732114 347176361 /nfs/dbraw/zinc/17/63/61/347176361.db2.gz OGRDKDQNXDLJMS-GJZGRUSLSA-N 1 0 296.367 2.207 20 5 CEBDRO CC[C@](C)(C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733798 347177421 /nfs/dbraw/zinc/17/74/21/347177421.db2.gz WQUJTOLYWLBCSC-HUUCEWRRSA-N 1 0 296.367 2.207 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC1(C)C ZINC000602817717 347211908 /nfs/dbraw/zinc/21/19/08/347211908.db2.gz YTSKFWHQHRRZDP-LLVKDONJSA-N 1 0 266.345 2.268 20 5 CEBDRO CC(C)([NH2+]CCc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000602841920 347220825 /nfs/dbraw/zinc/22/08/25/347220825.db2.gz UKDWWUBKUUOEIX-UHFFFAOYSA-N 1 0 286.335 2.452 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)cs1 ZINC000085978271 179208690 /nfs/dbraw/zinc/20/86/90/179208690.db2.gz OHECHIXXRFLPFW-GHMZBOCLSA-N 1 0 270.354 2.297 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185625 347303444 /nfs/dbraw/zinc/30/34/44/347303444.db2.gz KSGYGBBUEZWXBA-UWVGGRQHSA-N 1 0 275.312 2.076 20 5 CEBDRO CC[C@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186106 347303492 /nfs/dbraw/zinc/30/34/92/347303492.db2.gz OXUOQBNPAZQHNR-CABZTGNLSA-N 1 0 275.312 2.205 20 5 CEBDRO CCc1nn(C)c(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603405976 347360921 /nfs/dbraw/zinc/36/09/21/347360921.db2.gz JUCYJTKCGCHYND-GHMZBOCLSA-N 1 0 295.387 2.031 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C1(C)C ZINC000603408035 347362139 /nfs/dbraw/zinc/36/21/39/347362139.db2.gz WDVXPCMBCLMVCY-WDEREUQCSA-N 1 0 264.329 2.130 20 5 CEBDRO O=[N+]([O-])c1ncccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000603848000 347391704 /nfs/dbraw/zinc/39/17/04/347391704.db2.gz BLWIAQQSRLTGEP-UHFFFAOYSA-N 1 0 298.346 2.460 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000608972984 347624590 /nfs/dbraw/zinc/62/45/90/347624590.db2.gz XFCWKZLQYGVQIF-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609135650 347627580 /nfs/dbraw/zinc/62/75/80/347627580.db2.gz UYINJIFXJCQZGB-LLVKDONJSA-N 1 0 297.380 2.259 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000609839865 347652317 /nfs/dbraw/zinc/65/23/17/347652317.db2.gz DHEJURNPDWGKRG-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+](C)C1CC1 ZINC000336836023 365906246 /nfs/dbraw/zinc/90/62/46/365906246.db2.gz KERXBWJGISUQQE-VIFPVBQESA-N 1 0 281.360 2.014 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610821110 347716544 /nfs/dbraw/zinc/71/65/44/347716544.db2.gz FDRVXFHNOYHWTF-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cccnc1[N+](=O)[O-] ZINC000610282736 347669795 /nfs/dbraw/zinc/66/97/95/347669795.db2.gz QGJFHLGOHVKJSI-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221673 347753397 /nfs/dbraw/zinc/75/33/97/347753397.db2.gz MEXBFGHZRKZXCA-NWDGAFQWSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271285 347761120 /nfs/dbraw/zinc/76/11/20/347761120.db2.gz FSCBMYYSSLXPSC-JTQLQIEISA-N 1 0 278.308 2.350 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611617058 347799802 /nfs/dbraw/zinc/79/98/02/347799802.db2.gz ZUJLVIUORSSEJY-CYBMUJFWSA-N 1 0 292.383 2.385 20 5 CEBDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000612190528 347855343 /nfs/dbraw/zinc/85/53/43/347855343.db2.gz GDXNURXAOBYCBW-UHFFFAOYSA-N 1 0 298.302 2.467 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC1CC1 ZINC000612580821 347903670 /nfs/dbraw/zinc/90/36/70/347903670.db2.gz UQLISRIPMLDBOS-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011377 179379402 /nfs/dbraw/zinc/37/94/02/179379402.db2.gz QXYKBWAEJGPLSD-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)n1 ZINC000128903043 187398456 /nfs/dbraw/zinc/39/84/56/187398456.db2.gz BGCUTMXEYCLVGP-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO CC1(C)C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088139783 179556003 /nfs/dbraw/zinc/55/60/03/179556003.db2.gz APONPAQXLQHBTB-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO COC1(CO)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000618551336 348973566 /nfs/dbraw/zinc/97/35/66/348973566.db2.gz WKOJYSFXFQWSFV-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO C[N@@H+]1CCN(CCNc2ccsc2[N+](=O)[O-])CC1(C)C ZINC000619651978 349209269 /nfs/dbraw/zinc/20/92/69/349209269.db2.gz NBZWEWLKVBTHIL-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1C ZINC000339619784 215272153 /nfs/dbraw/zinc/27/21/53/215272153.db2.gz QTJHTKYISLHSDQ-AOOOYVTPSA-N 1 0 299.321 2.397 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550593 180003111 /nfs/dbraw/zinc/00/31/11/180003111.db2.gz TUHMCGUINACDFL-CHWSQXEVSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000090692214 180024478 /nfs/dbraw/zinc/02/44/78/180024478.db2.gz KALRLVOLIZRMBD-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000412062966 233326614 /nfs/dbraw/zinc/32/66/14/233326614.db2.gz AWZMQLURJQANOF-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104953917 186034355 /nfs/dbraw/zinc/03/43/55/186034355.db2.gz ULTVODOJZUNNMU-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794818 186071216 /nfs/dbraw/zinc/07/12/16/186071216.db2.gz VRFUZZKLWNIAOO-UHFFFAOYSA-N 1 0 291.355 2.471 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130603760 365972399 /nfs/dbraw/zinc/97/23/99/365972399.db2.gz FSNINXXFAMWYDM-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110791458 186324314 /nfs/dbraw/zinc/32/43/14/186324314.db2.gz KVUUUVHXHCUFCD-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC(F)(F)F)cs1 ZINC000070168405 363042870 /nfs/dbraw/zinc/04/28/70/363042870.db2.gz FRYFTIGVWHRKGV-UHFFFAOYSA-N 1 0 284.259 2.325 20 5 CEBDRO Cc1c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070177628 363048441 /nfs/dbraw/zinc/04/84/41/363048441.db2.gz NLKMYQRMCPCUBS-ABAIWWIYSA-N 1 0 277.368 2.462 20 5 CEBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070189186 363050448 /nfs/dbraw/zinc/05/04/48/363050448.db2.gz FPSMDBQXZOVNOF-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[NH+](C)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000120348080 186893538 /nfs/dbraw/zinc/89/35/38/186893538.db2.gz MAOLVVOBTIWLLM-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000070496163 363091634 /nfs/dbraw/zinc/09/16/34/363091634.db2.gz CVRNSOLKPBYXGC-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317912 187026416 /nfs/dbraw/zinc/02/64/16/187026416.db2.gz MACBIAHMIHGWBW-DGCLKSJQSA-N 1 0 275.352 2.310 20 5 CEBDRO O=C(CC[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291931404 198109438 /nfs/dbraw/zinc/10/94/38/198109438.db2.gz SSXVVJMVPORIJT-GFCCVEGCSA-N 1 0 289.335 2.016 20 5 CEBDRO Cn1cncc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569138623 299185276 /nfs/dbraw/zinc/18/52/76/299185276.db2.gz OWJVMXWFPKDQEL-AWEZNQCLSA-N 1 0 286.335 2.148 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072869474 363174063 /nfs/dbraw/zinc/17/40/63/363174063.db2.gz JTPZHLCAAKDTPL-TXEJJXNPSA-N 1 0 291.351 2.430 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1(O)CCC1 ZINC000563014153 313714275 /nfs/dbraw/zinc/71/42/75/313714275.db2.gz YHNLZYMKDDXKQM-UHFFFAOYSA-N 1 0 284.743 2.295 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292147253 198181420 /nfs/dbraw/zinc/18/14/20/198181420.db2.gz TZPHWCZFILJSSQ-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)cs1 ZINC000153155506 188067759 /nfs/dbraw/zinc/06/77/59/188067759.db2.gz YHIMSXSFOPYZPN-JGZJWPJOSA-N 1 0 270.354 2.297 20 5 CEBDRO COCC[N@H+](C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780245 188103897 /nfs/dbraw/zinc/10/38/97/188103897.db2.gz OLJURTHRKFVGFW-CYBMUJFWSA-N 1 0 295.383 2.214 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153918227 188111716 /nfs/dbraw/zinc/11/17/16/188111716.db2.gz KLGKDNRMSRZKBH-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102515 282892817 /nfs/dbraw/zinc/89/28/17/282892817.db2.gz KCHRJJUYQKAJKN-WFASDCNBSA-N 1 0 296.367 2.423 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451239329 282934178 /nfs/dbraw/zinc/93/41/78/282934178.db2.gz FFKZPCPXGBQUOE-GFCCVEGCSA-N 1 0 291.307 2.393 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132405580 366142209 /nfs/dbraw/zinc/14/22/09/366142209.db2.gz NPRSZABAQJOIFI-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489704 283007687 /nfs/dbraw/zinc/00/76/87/283007687.db2.gz CVBHGZIALPCTHE-VXGBXAGGSA-N 1 0 296.371 2.010 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451945487 283149002 /nfs/dbraw/zinc/14/90/02/283149002.db2.gz UYEIVHPADDGTBR-ZLKJLUDKSA-N 1 0 280.324 2.049 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134238570 366303248 /nfs/dbraw/zinc/30/32/48/366303248.db2.gz FAHCQELEGXULEH-ZYHUDNBSSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000134631017 366348901 /nfs/dbraw/zinc/34/89/01/366348901.db2.gz MAVQXMIIIDSDPY-SGMGOOAPSA-N 1 0 276.336 2.491 20 5 CEBDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134824738 366363196 /nfs/dbraw/zinc/36/31/96/366363196.db2.gz VSMJUUTXEPFZCU-LLVKDONJSA-N 1 0 279.340 2.018 20 5 CEBDRO CCOc1cccc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000134904271 366371286 /nfs/dbraw/zinc/37/12/86/366371286.db2.gz JRCFDXABKSXOOE-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294039298 198881864 /nfs/dbraw/zinc/88/18/64/198881864.db2.gz FZCKQALXDVMTBZ-YGRLFVJLSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000578480009 366499347 /nfs/dbraw/zinc/49/93/47/366499347.db2.gz GLEXNHXJYAMBMK-LLVKDONJSA-N 1 0 293.367 2.155 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297662075 200255979 /nfs/dbraw/zinc/25/59/79/200255979.db2.gz ZFGVNAHRXOQURS-NSHDSACASA-N 1 0 289.339 2.002 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000579345295 366630879 /nfs/dbraw/zinc/63/08/79/366630879.db2.gz WIFUFNXTVIENED-JTQLQIEISA-N 1 0 292.257 2.040 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000453378001 283542696 /nfs/dbraw/zinc/54/26/96/283542696.db2.gz WEOVVBXPCVMQGA-SDDRHHMPSA-N 1 0 291.351 2.208 20 5 CEBDRO CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000178021334 189086656 /nfs/dbraw/zinc/08/66/56/189086656.db2.gz PKALYQJBKDONBJ-ZWNOBZJWSA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)cc1[N+](=O)[O-] ZINC000179567083 189203194 /nfs/dbraw/zinc/20/31/94/189203194.db2.gz ZQXMJTUJJRDNEX-LLVKDONJSA-N 1 0 280.324 2.317 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000179584146 189204666 /nfs/dbraw/zinc/20/46/66/189204666.db2.gz KPLCJVMIDMURIY-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000453598129 283603222 /nfs/dbraw/zinc/60/32/22/283603222.db2.gz PFENNAHRAQEZEX-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000342364286 216325795 /nfs/dbraw/zinc/32/57/95/216325795.db2.gz VZCFOGAJKQVDCR-ZWNOBZJWSA-N 1 0 292.339 2.199 20 5 CEBDRO CC1=CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000571817612 299329638 /nfs/dbraw/zinc/32/96/38/299329638.db2.gz OCIIRRCOMGTIQB-UHFFFAOYSA-N 1 0 275.352 2.336 20 5 CEBDRO C[NH+](C)CCSc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342537594 216389701 /nfs/dbraw/zinc/38/97/01/216389701.db2.gz JOLJYIKBJXBPSJ-UHFFFAOYSA-N 1 0 284.366 2.253 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089107447 363932518 /nfs/dbraw/zinc/93/25/18/363932518.db2.gz ZSCYKRYESUXWRY-BXUZGUMPSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090517626 364060610 /nfs/dbraw/zinc/06/06/10/364060610.db2.gz FCVIAVXPYBAIQH-LLVKDONJSA-N 1 0 291.351 2.019 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000237841412 370754432 /nfs/dbraw/zinc/75/44/32/370754432.db2.gz MCZCULVMXNEGOZ-UHFFFAOYSA-N 1 0 291.351 2.376 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000103116683 364628315 /nfs/dbraw/zinc/62/83/15/364628315.db2.gz PHYXNOLZVRRMGD-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO COCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112354882 364798917 /nfs/dbraw/zinc/79/89/17/364798917.db2.gz IYAHLUCNZHLDGH-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112204757 364778866 /nfs/dbraw/zinc/77/88/66/364778866.db2.gz CVLNACFJWQGEGC-UHFFFAOYSA-N 1 0 274.324 2.495 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000112308918 364788976 /nfs/dbraw/zinc/78/89/76/364788976.db2.gz JBQBMTNNTNBWQU-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000112309961 364789174 /nfs/dbraw/zinc/78/91/74/364789174.db2.gz FABSDNDDUSNOPX-UHFFFAOYSA-N 1 0 299.396 2.426 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112309994 364789270 /nfs/dbraw/zinc/78/92/70/364789270.db2.gz AXWRAUGJGLMFBF-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112335741 364792547 /nfs/dbraw/zinc/79/25/47/364792547.db2.gz AAHDAGRXUSYFHI-GHMZBOCLSA-N 1 0 262.313 2.029 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000113516482 364903757 /nfs/dbraw/zinc/90/37/57/364903757.db2.gz RNAAWEQBUGBKCA-SNVBAGLBSA-N 1 0 269.370 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000356756295 370794881 /nfs/dbraw/zinc/79/48/81/370794881.db2.gz AOTWWZJJTIIUNA-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000245409940 370815513 /nfs/dbraw/zinc/81/55/13/370815513.db2.gz ORISGIALUAEXIS-DGCLKSJQSA-N 1 0 264.329 2.056 20 5 CEBDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161153316 367062460 /nfs/dbraw/zinc/06/24/60/367062460.db2.gz MXDSIWSMIIGPDQ-QMMMGPOBSA-N 1 0 272.732 2.497 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1(C[NH+](C)C)CCC1 ZINC000340899611 367080884 /nfs/dbraw/zinc/08/08/84/367080884.db2.gz IACYCOISCKLSRP-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500196 367092000 /nfs/dbraw/zinc/09/20/00/367092000.db2.gz PSFBSMVYZNKPLY-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@H]1OCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572438969 299368045 /nfs/dbraw/zinc/36/80/45/299368045.db2.gz FKKQTGTUFIVVFO-QMTHXVAHSA-N 1 0 289.335 2.386 20 5 CEBDRO CC(C)(C)OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162511710 367164966 /nfs/dbraw/zinc/16/49/66/367164966.db2.gz ISHPWPWUOKDZIE-UHFFFAOYSA-N 1 0 296.371 2.071 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC12CCCC2 ZINC000602865750 367217690 /nfs/dbraw/zinc/21/76/90/367217690.db2.gz RASYOODDMZXRQP-UHFFFAOYSA-N 1 0 264.329 2.118 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168173215 367348714 /nfs/dbraw/zinc/34/87/14/367348714.db2.gz HJYNPCPDKDMJKV-NTCNTBNZSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171691137 367594735 /nfs/dbraw/zinc/59/47/35/367594735.db2.gz VLNMVXMYVONSBV-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000343262431 367731027 /nfs/dbraw/zinc/73/10/27/367731027.db2.gz HJZQWUFISOIEAS-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172300758 367712711 /nfs/dbraw/zinc/71/27/11/367712711.db2.gz JPXRDQMEHYVTRX-DOMZBBRYSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC1 ZINC000358078330 370894892 /nfs/dbraw/zinc/89/48/92/370894892.db2.gz BXXGFEQAVTYLEW-JTQLQIEISA-N 1 0 277.324 2.454 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343520112 367860329 /nfs/dbraw/zinc/86/03/29/367860329.db2.gz LFTFQYMAEVCEEY-BXUZGUMPSA-N 1 0 291.351 2.116 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343612880 367916442 /nfs/dbraw/zinc/91/64/42/367916442.db2.gz PUDNYBUEZJMKCR-AWEZNQCLSA-N 1 0 291.351 2.199 20 5 CEBDRO COCC[N@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318169 367896015 /nfs/dbraw/zinc/89/60/15/367896015.db2.gz HJMUBARALYCBCL-CYBMUJFWSA-N 1 0 295.383 2.214 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000174153086 367990686 /nfs/dbraw/zinc/99/06/86/367990686.db2.gz LQEPBVZCVDRVAG-LLVKDONJSA-N 1 0 297.380 2.213 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176190033 368209822 /nfs/dbraw/zinc/20/98/22/368209822.db2.gz KBYPWSXAIGZNEO-UHFFFAOYSA-N 1 0 274.324 2.313 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176230082 368214095 /nfs/dbraw/zinc/21/40/95/368214095.db2.gz CVZVHQGRJACXLR-PHIMTYICSA-N 1 0 252.318 2.054 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345967342 368500388 /nfs/dbraw/zinc/50/03/88/368500388.db2.gz SBGXYGIHAAOUQJ-NWDGAFQWSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656101 368480248 /nfs/dbraw/zinc/48/02/48/368480248.db2.gz BHIPNJJCCDORSU-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198707 370948379 /nfs/dbraw/zinc/94/83/79/370948379.db2.gz YVRAPFGZEOJQJG-RYUDHWBXSA-N 1 0 282.340 2.297 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000346692392 368774907 /nfs/dbraw/zinc/77/49/07/368774907.db2.gz YSAWHPNUNURQIQ-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185810116 368865480 /nfs/dbraw/zinc/86/54/80/368865480.db2.gz LWPZDMRCHHUOAV-QAVQXKDTSA-N 1 0 250.298 2.012 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185979672 368898762 /nfs/dbraw/zinc/89/87/62/368898762.db2.gz UGSGGILPBNVSEL-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348148240 368921142 /nfs/dbraw/zinc/92/11/42/368921142.db2.gz RXUYKDYNYKHAAA-OLZOCXBDSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186801330 369046544 /nfs/dbraw/zinc/04/65/44/369046544.db2.gz NRCWTORSTLOJOI-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000348699079 369123235 /nfs/dbraw/zinc/12/32/35/369123235.db2.gz AGSUQBXHRRKCAZ-WMADIVHISA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330658909 203087267 /nfs/dbraw/zinc/08/72/67/203087267.db2.gz PIPRZNZFXLSSLT-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234649 369323640 /nfs/dbraw/zinc/32/36/40/369323640.db2.gz DXHKIZYWWPLNFM-PWSUYJOCSA-N 1 0 284.381 2.278 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000189011480 369442986 /nfs/dbraw/zinc/44/29/86/369442986.db2.gz ZKWJRVNYAUJBML-QWRGUYRKSA-N 1 0 279.340 2.031 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049776 189804469 /nfs/dbraw/zinc/80/44/69/189804469.db2.gz GHAAPJFQCYZDLI-LEWSCRJBSA-N 1 0 293.342 2.293 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000350047110 369491187 /nfs/dbraw/zinc/49/11/87/369491187.db2.gz HZSMFKIEHRPHOM-JSGCOSHPSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189305026 369494388 /nfs/dbraw/zinc/49/43/88/369494388.db2.gz NMRNGYZISOCQDP-GZMMTYOYSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190044204 369590725 /nfs/dbraw/zinc/59/07/25/369590725.db2.gz AFAMZDGKFBJNBN-BXUZGUMPSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352404138 369713885 /nfs/dbraw/zinc/71/38/85/369713885.db2.gz CMOWKAWUVIXPPS-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540436 369778704 /nfs/dbraw/zinc/77/87/04/369778704.db2.gz LALAWBGPOCQQQN-HNNXBMFYSA-N 1 0 275.352 2.170 20 5 CEBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193673085 369969534 /nfs/dbraw/zinc/96/95/34/369969534.db2.gz COGGNPAUUVTULB-UHFFFAOYSA-N 1 0 253.258 2.345 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000353089306 370013308 /nfs/dbraw/zinc/01/33/08/370013308.db2.gz FEMPKNHTCOXLCQ-LBPRGKRZSA-N 1 0 265.357 2.413 20 5 CEBDRO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988528 370216204 /nfs/dbraw/zinc/21/62/04/370216204.db2.gz AYTAAHMLEJYUJT-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000222999288 370259687 /nfs/dbraw/zinc/25/96/87/370259687.db2.gz NJZAEMZQLHRKIH-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000227347891 370367407 /nfs/dbraw/zinc/36/74/07/370367407.db2.gz HEMDVTMNONIGNA-UHFFFAOYSA-N 1 0 282.340 2.113 20 5 CEBDRO CC(=O)c1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000228261074 370400979 /nfs/dbraw/zinc/40/09/79/370400979.db2.gz MYWFKRHNIXVKEL-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@H](CO)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230161322 370442634 /nfs/dbraw/zinc/44/26/34/370442634.db2.gz OJYQBOIPWXLPHV-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000232232853 370502146 /nfs/dbraw/zinc/50/21/46/370502146.db2.gz RIDJRUCYIPFUCW-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO Cc1c(CNC(=O)C2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000231856153 370496404 /nfs/dbraw/zinc/49/64/04/370496404.db2.gz FMVTXPLZHTVYKC-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000234888240 370546851 /nfs/dbraw/zinc/54/68/51/370546851.db2.gz SRHOKAXQALZXMY-UKRRQHHQSA-N 1 0 292.335 2.261 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235452714 370567420 /nfs/dbraw/zinc/56/74/20/370567420.db2.gz UOWANTZNWTZEIU-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358409873 371055038 /nfs/dbraw/zinc/05/50/38/371055038.db2.gz JKOMHBSZBFBOLM-NSHDSACASA-N 1 0 291.351 2.458 20 5 CEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247742639 371140266 /nfs/dbraw/zinc/14/02/66/371140266.db2.gz XFCOGUVPXSTYAB-DGCLKSJQSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247442197 371107911 /nfs/dbraw/zinc/10/79/11/371107911.db2.gz POCYXLHHBHTPQY-SMDDNHRTSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000248399442 371186193 /nfs/dbraw/zinc/18/61/93/371186193.db2.gz OUNXMGCQEOVKSK-GDLCADMTSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248370079 371181988 /nfs/dbraw/zinc/18/19/88/371181988.db2.gz XANBIPYFZAPLLP-MFKMUULPSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000235532239 189828981 /nfs/dbraw/zinc/82/89/81/189828981.db2.gz VWKUEASCUSTJDP-COPLHBTASA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1 ZINC000235807930 189831232 /nfs/dbraw/zinc/83/12/32/189831232.db2.gz FKAWZWOAXPEBHX-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000331981727 204359507 /nfs/dbraw/zinc/35/95/07/204359507.db2.gz BGMSKRBRMWNEDM-JTQLQIEISA-N 1 0 278.308 2.303 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000361046001 371619492 /nfs/dbraw/zinc/61/94/92/371619492.db2.gz ZGUITIXSDFNHMU-KOLCDFICSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261652636 371691692 /nfs/dbraw/zinc/69/16/92/371691692.db2.gz DLABRQWVNZBFKL-JHJVBQTASA-N 1 0 275.352 2.197 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261652634 371692169 /nfs/dbraw/zinc/69/21/69/371692169.db2.gz DLABRQWVNZBFKL-AGIUHOORSA-N 1 0 275.352 2.197 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138167 217069065 /nfs/dbraw/zinc/06/90/65/217069065.db2.gz XEXVTZINBDWBQT-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344220714 217104499 /nfs/dbraw/zinc/10/44/99/217104499.db2.gz VKLRNCHMEFBTHW-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)C12CCC[NH+]1CCC2 ZINC000372947145 284316044 /nfs/dbraw/zinc/31/60/44/284316044.db2.gz JNRUZXBPILUYTP-UHFFFAOYSA-N 1 0 275.308 2.162 20 5 CEBDRO C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344331887 217154813 /nfs/dbraw/zinc/15/48/13/217154813.db2.gz XSQVXIDWCZBQCE-SMDDNHRTSA-N 1 0 263.341 2.167 20 5 CEBDRO CC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327358 372728546 /nfs/dbraw/zinc/72/85/46/372728546.db2.gz YKHOWIKXENDBQJ-NEPJUHHUSA-N 1 0 266.345 2.474 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353436137 220080995 /nfs/dbraw/zinc/08/09/95/220080995.db2.gz BEEKBSMINGZGOA-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000289810843 197491901 /nfs/dbraw/zinc/49/19/01/197491901.db2.gz ZRTLSVJUIPLABO-WDEREUQCSA-N 1 0 277.324 2.230 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000271061909 373100137 /nfs/dbraw/zinc/10/01/37/373100137.db2.gz CFWSTIHXSNLXEV-JTQLQIEISA-N 1 0 268.313 2.027 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N(C)C ZINC000344849222 217333395 /nfs/dbraw/zinc/33/33/95/217333395.db2.gz HVMYVVFWPJIIPM-XFXZXTDPSA-N 1 0 291.351 2.066 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC(C)C ZINC000344864273 217339394 /nfs/dbraw/zinc/33/93/94/217339394.db2.gz RYTNCHUHDXEWMW-GHXNOFRVSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000272236758 373375378 /nfs/dbraw/zinc/37/53/78/373375378.db2.gz ADAHTKQLTKZIKB-NSHDSACASA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-] ZINC000369377952 373400091 /nfs/dbraw/zinc/40/00/91/373400091.db2.gz OQBNZLCDNZWQGM-MZBDJJRSSA-N 1 0 290.363 2.496 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272388352 373458235 /nfs/dbraw/zinc/45/82/35/373458235.db2.gz IRONWTUWXRPGEW-NSHDSACASA-N 1 0 282.340 2.244 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272388350 373458264 /nfs/dbraw/zinc/45/82/64/373458264.db2.gz IRONWTUWXRPGEW-LLVKDONJSA-N 1 0 282.340 2.244 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000272624913 373587942 /nfs/dbraw/zinc/58/79/42/373587942.db2.gz JLDAOEIKNLKEPY-MFKMUULPSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000272543720 373544144 /nfs/dbraw/zinc/54/41/44/373544144.db2.gz LCYNKOOPNWGCGP-JTQLQIEISA-N 1 0 289.339 2.223 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000370735901 373731292 /nfs/dbraw/zinc/73/12/92/373731292.db2.gz DALYQRYXJYHRCE-CQSZACIVSA-N 1 0 262.309 2.350 20 5 CEBDRO CC(C)OC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117227 374046306 /nfs/dbraw/zinc/04/63/06/374046306.db2.gz QXJZOYKHJHRUHZ-OAHLLOKOSA-N 1 0 294.351 2.221 20 5 CEBDRO CCOc1cc(C[NH+]2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000276898930 374339621 /nfs/dbraw/zinc/33/96/21/374339621.db2.gz LHKSULMOTJDIFK-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000373941640 374453433 /nfs/dbraw/zinc/45/34/33/374453433.db2.gz SKIZSWFHMYGGJK-CQSZACIVSA-N 1 0 298.346 2.340 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204593 374750104 /nfs/dbraw/zinc/75/01/04/374750104.db2.gz HCBDDVLGJPMZFY-QMTHXVAHSA-N 1 0 291.351 2.086 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377230926 374818674 /nfs/dbraw/zinc/81/86/74/374818674.db2.gz GZIDRHYMQKRKIU-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CCC2)cs1 ZINC000279776780 374981812 /nfs/dbraw/zinc/98/18/12/374981812.db2.gz KYLYIVPDWWUTBJ-NSHDSACASA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000379492318 375152278 /nfs/dbraw/zinc/15/22/78/375152278.db2.gz IVURIFRIBQVBFC-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CC[NH2+]C1 ZINC000385360936 375233402 /nfs/dbraw/zinc/23/34/02/375233402.db2.gz JPWUYBCNYYBTNW-QMMMGPOBSA-N 1 0 257.240 2.306 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770641 375243897 /nfs/dbraw/zinc/24/38/97/375243897.db2.gz ARSGAJVTGQDIKC-GXTWGEPZSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911598 375247283 /nfs/dbraw/zinc/24/72/83/375247283.db2.gz RCAHKWDARZRECY-KOLCDFICSA-N 1 0 284.743 2.451 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000382425282 375185836 /nfs/dbraw/zinc/18/58/36/375185836.db2.gz MEUCPLMIZYUORT-VXGBXAGGSA-N 1 0 286.335 2.247 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000280483824 375216856 /nfs/dbraw/zinc/21/68/56/375216856.db2.gz NXXIYCUNCYWZCI-SECBINFHSA-N 1 0 284.335 2.458 20 5 CEBDRO C[S@@](=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000280523483 375231767 /nfs/dbraw/zinc/23/17/67/375231767.db2.gz BFSDISXWEYHDFN-GOSISDBHSA-N 1 0 288.394 2.047 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000280719133 375295524 /nfs/dbraw/zinc/29/55/24/375295524.db2.gz UTXUXXHFXUINML-FQEVSTJZSA-N 1 0 296.392 2.294 20 5 CEBDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150616 375416505 /nfs/dbraw/zinc/41/65/05/375416505.db2.gz CRJFBAMCXZNDGM-DGIBIBHMSA-N 1 0 282.365 2.157 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000282286456 375448281 /nfs/dbraw/zinc/44/82/81/375448281.db2.gz VZSNNWJAUVNOMI-RKDXNWHRSA-N 1 0 268.342 2.090 20 5 CEBDRO CC[C@@H](C(=O)OC)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465695 375491553 /nfs/dbraw/zinc/49/15/53/375491553.db2.gz NJEFXKHDJDLRNT-ZDUSSCGKSA-N 1 0 280.324 2.021 20 5 CEBDRO COC[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282488785 375497366 /nfs/dbraw/zinc/49/73/66/375497366.db2.gz PQBSHJNMJJBLHG-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660909 375906699 /nfs/dbraw/zinc/90/66/99/375906699.db2.gz OVEQOPRYUFZZGO-WDEREUQCSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000414667946 375909133 /nfs/dbraw/zinc/90/91/33/375909133.db2.gz YDGKPKZNMSUEKN-CQSZACIVSA-N 1 0 292.339 2.152 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790585 375973204 /nfs/dbraw/zinc/97/32/04/375973204.db2.gz POGWUVDCXZTXHV-DAXSKMNVSA-N 1 0 275.352 2.421 20 5 CEBDRO Cc1c(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414715253 375937357 /nfs/dbraw/zinc/93/73/57/375937357.db2.gz WFXPRDCSRYTIFN-UWVGGRQHSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)OCCO)cccc1[N+](=O)[O-] ZINC000287342805 376211859 /nfs/dbraw/zinc/21/18/59/376211859.db2.gz NDBOJZBLYXDVRU-LBPRGKRZSA-N 1 0 296.367 2.341 20 5 CEBDRO CC[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000419266253 376418640 /nfs/dbraw/zinc/41/86/40/376418640.db2.gz GAWVHCNIGXTJQE-ZDUSSCGKSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419376926 376448196 /nfs/dbraw/zinc/44/81/96/376448196.db2.gz UKSLYYVVYPQATR-VWYCJHECSA-N 1 0 291.351 2.170 20 5 CEBDRO Cc1cnn(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289777535 376496690 /nfs/dbraw/zinc/49/66/90/376496690.db2.gz RFDSBPMLLQJIDV-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000420253568 376662788 /nfs/dbraw/zinc/66/27/88/376662788.db2.gz BINJCSDWZFQDQC-SKDRFNHKSA-N 1 0 278.356 2.170 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264699109 190129716 /nfs/dbraw/zinc/12/97/16/190129716.db2.gz NGEACQVQQPBSLF-CQSZACIVSA-N 1 0 291.351 2.199 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423187549 377100051 /nfs/dbraw/zinc/10/00/51/377100051.db2.gz KVZMYBCTCXYVNT-CABCVRRESA-N 1 0 289.379 2.258 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136219 377104848 /nfs/dbraw/zinc/10/48/48/377104848.db2.gz MQSTWYOOHPHWHP-HNNXBMFYSA-N 1 0 275.352 2.170 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236259 377155616 /nfs/dbraw/zinc/15/56/16/377155616.db2.gz NVLVRUZHVAIJRK-DGCLKSJQSA-N 1 0 293.367 2.396 20 5 CEBDRO Cc1c([C@@H](C)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244443 377164751 /nfs/dbraw/zinc/16/47/51/377164751.db2.gz XMMLOUIQBRFZRL-VXGBXAGGSA-N 1 0 263.341 2.306 20 5 CEBDRO Cc1c(C[N@@H+]2CCSC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000330955323 377213379 /nfs/dbraw/zinc/21/33/79/377213379.db2.gz GZNJWJZIRCZJEQ-CYBMUJFWSA-N 1 0 296.392 2.203 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331022078 377243864 /nfs/dbraw/zinc/24/38/64/377243864.db2.gz YVULPMDAWYNFCQ-GFCCVEGCSA-N 1 0 266.345 2.302 20 5 CEBDRO [NH3+]C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276911 377200878 /nfs/dbraw/zinc/20/08/78/377200878.db2.gz NMFBAZABIWPMPL-GJZGRUSLSA-N 1 0 275.352 2.299 20 5 CEBDRO CCOc1cc(CN2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331191786 377321479 /nfs/dbraw/zinc/32/14/79/377321479.db2.gz WGHNLASNTQNGBJ-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292875134 377327475 /nfs/dbraw/zinc/32/74/75/377327475.db2.gz WWOZRHXUZKUHQD-INIZCTEOSA-N 1 0 289.379 2.431 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264904986 190143051 /nfs/dbraw/zinc/14/30/51/190143051.db2.gz MDQSGSXTXBXBFE-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO CCOCC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293289669 377507039 /nfs/dbraw/zinc/50/70/39/377507039.db2.gz OSXCOGPUVGGOCC-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH3+])C1 ZINC000430966974 377579518 /nfs/dbraw/zinc/57/95/18/377579518.db2.gz QQBPWQZACKCCEL-LBPRGKRZSA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000293490119 377591047 /nfs/dbraw/zinc/59/10/47/377591047.db2.gz SSMAHMFVRQZDRU-WDEREUQCSA-N 1 0 250.298 2.314 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265733815 190203104 /nfs/dbraw/zinc/20/31/04/190203104.db2.gz AKDNLOWAUALPSJ-GFCCVEGCSA-N 1 0 280.324 2.072 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293525727 377609374 /nfs/dbraw/zinc/60/93/74/377609374.db2.gz WLJDMPXEMFQDJW-QWRGUYRKSA-N 1 0 280.324 2.322 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313287841 249392713 /nfs/dbraw/zinc/39/27/13/249392713.db2.gz XWESNHVPIVNJCE-WHLNPGIBSA-N 1 0 291.351 2.098 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])C[C@H]2C1 ZINC000432149029 377721927 /nfs/dbraw/zinc/72/19/27/377721927.db2.gz RCENUURWACABSK-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO COC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265848602 190212348 /nfs/dbraw/zinc/21/23/48/190212348.db2.gz YFDXHFBXDDTQFY-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294039287 377881600 /nfs/dbraw/zinc/88/16/00/377881600.db2.gz FZCKQALXDVMTBZ-HZMBPMFUSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC2)n1 ZINC000447507001 378111237 /nfs/dbraw/zinc/11/12/37/378111237.db2.gz GAJCJUJJFDJKOR-WDEREUQCSA-N 1 0 250.302 2.027 20 5 CEBDRO COC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447581594 378119941 /nfs/dbraw/zinc/11/99/41/378119941.db2.gz VLBRTSJODOKCPO-NEPJUHHUSA-N 1 0 296.371 2.290 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000295440826 378159183 /nfs/dbraw/zinc/15/91/83/378159183.db2.gz PLJNXJORKPJCHU-UHIISALHSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000295739025 378284099 /nfs/dbraw/zinc/28/40/99/378284099.db2.gz ORXNUHHJCSQNNT-ZYHUDNBSSA-N 1 0 266.366 2.478 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450539399 378465929 /nfs/dbraw/zinc/46/59/29/378465929.db2.gz KULPHZTZJDJJII-JTQLQIEISA-N 1 0 281.360 2.226 20 5 CEBDRO Cc1cc(N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000450620796 378502498 /nfs/dbraw/zinc/50/24/98/378502498.db2.gz WMKIWMMNGHVNAO-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO CS[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465517 378541780 /nfs/dbraw/zinc/54/17/80/378541780.db2.gz XNCYCHAVUCCUOC-STQMWFEESA-N 1 0 282.365 2.066 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498867 378746809 /nfs/dbraw/zinc/74/68/09/378746809.db2.gz MWTGLIIVQSKJQP-ZJUUUORDSA-N 1 0 295.364 2.013 20 5 CEBDRO CC(C)([NH2+]CCCCO)c1ccccc1[N+](=O)[O-] ZINC000298367736 378706824 /nfs/dbraw/zinc/70/68/24/378706824.db2.gz NKKAPLDHIRUDFT-UHFFFAOYSA-N 1 0 252.314 2.192 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451108177 378710393 /nfs/dbraw/zinc/71/03/93/378710393.db2.gz VWSVYAPOEHSQRG-IINYFYTJSA-N 1 0 289.335 2.009 20 5 CEBDRO CC[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298421371 378721826 /nfs/dbraw/zinc/72/18/26/378721826.db2.gz OBJJVOHZGCFNTL-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000298665529 378792929 /nfs/dbraw/zinc/79/29/29/378792929.db2.gz KMQHXPFMWSIEED-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000346840565 218032878 /nfs/dbraw/zinc/03/28/78/218032878.db2.gz GIWPJUILRKONKB-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453149768 378818474 /nfs/dbraw/zinc/81/84/74/378818474.db2.gz MNRBKFXOIVDXLT-LBPRGKRZSA-N 1 0 294.351 2.269 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392109 378883024 /nfs/dbraw/zinc/88/30/24/378883024.db2.gz ZDAYECKEQWJACW-QMTHXVAHSA-N 1 0 291.351 2.086 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000346977813 218075463 /nfs/dbraw/zinc/07/54/63/218075463.db2.gz LDPFZWFBHUAACM-CYBMUJFWSA-N 1 0 287.323 2.023 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993803 218083102 /nfs/dbraw/zinc/08/31/02/218083102.db2.gz AVCRZMQZIHLGLR-LJXYTEIVSA-N 1 0 275.352 2.277 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000453605806 378919980 /nfs/dbraw/zinc/91/99/80/378919980.db2.gz PCAPARLJOROJON-UHFFFAOYSA-N 1 0 279.340 2.052 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000347024725 218097292 /nfs/dbraw/zinc/09/72/92/218097292.db2.gz RFRGDEKYBAGQDJ-ZVYZJRAXSA-N 1 0 275.352 2.290 20 5 CEBDRO [NH3+]C[C@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347114075 218125759 /nfs/dbraw/zinc/12/57/59/218125759.db2.gz RYGJBVQEBDADPW-ACVFHECNSA-N 1 0 261.325 2.031 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278619291 194072191 /nfs/dbraw/zinc/07/21/91/194072191.db2.gz JQHFYXXDECUYJV-DZGCQCFKSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000299590751 379057197 /nfs/dbraw/zinc/05/71/97/379057197.db2.gz DUZDAKZYFPHRKM-GHMZBOCLSA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000299590755 379058526 /nfs/dbraw/zinc/05/85/26/379058526.db2.gz DUZDAKZYFPHRKM-MNOVXSKESA-N 1 0 277.324 2.264 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)CC1 ZINC000347374974 218212135 /nfs/dbraw/zinc/21/21/35/218212135.db2.gz YNQNCCVSHDKYDI-FMIVXFBMSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C1 ZINC000299679633 379105324 /nfs/dbraw/zinc/10/53/24/379105324.db2.gz VAELHMOLQHHGRP-QWRGUYRKSA-N 1 0 277.324 2.264 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000522243317 379566304 /nfs/dbraw/zinc/56/63/04/379566304.db2.gz PIWYRLRLRNFYRI-CQSZACIVSA-N 1 0 291.351 2.085 20 5 CEBDRO COc1ccc(C[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000267088825 190302999 /nfs/dbraw/zinc/30/29/99/190302999.db2.gz MCGRTHNURXANDN-UHFFFAOYSA-N 1 0 275.308 2.232 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000267220532 190313326 /nfs/dbraw/zinc/31/33/26/190313326.db2.gz IYWUBTSTPHCAOL-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000267318202 190320773 /nfs/dbraw/zinc/32/07/73/190320773.db2.gz YJYUEMXSIHZWMB-MNOVXSKESA-N 1 0 264.329 2.275 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000347789091 218358396 /nfs/dbraw/zinc/35/83/96/218358396.db2.gz SHJCAOIXOOMFJK-GFCCVEGCSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738898 380127119 /nfs/dbraw/zinc/12/71/19/380127119.db2.gz ZVUJQBNTFLVRJM-OUCADQQQSA-N 1 0 290.367 2.156 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491883773 380371668 /nfs/dbraw/zinc/37/16/68/380371668.db2.gz HVOVXGJUONYVPN-HJWRWDBZSA-N 1 0 291.351 2.064 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000550657605 380626273 /nfs/dbraw/zinc/62/62/73/380626273.db2.gz RCOAOONTDSMBGI-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO CC(C)OC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554552921 380781837 /nfs/dbraw/zinc/78/18/37/380781837.db2.gz JJXUHJCEZWQEAW-GFCCVEGCSA-N 1 0 282.340 2.377 20 5 CEBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554875708 380800002 /nfs/dbraw/zinc/80/00/02/380800002.db2.gz NUNMYZWAJKKXLT-RMKNXTFCSA-N 1 0 277.368 2.492 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374037660 220294321 /nfs/dbraw/zinc/29/43/21/220294321.db2.gz LSFQGRLFBONTKK-CYBMUJFWSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000094368153 285115734 /nfs/dbraw/zinc/11/57/34/285115734.db2.gz UGMKCVBDLDRMHL-DZGCQCFKSA-N 1 0 292.335 2.023 20 5 CEBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000272869900 285119145 /nfs/dbraw/zinc/11/91/45/285119145.db2.gz ZHBGCDXFBRETHU-NSHDSACASA-N 1 0 252.314 2.452 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000264614963 285122902 /nfs/dbraw/zinc/12/29/02/285122902.db2.gz QKKHMDKYPNJJCV-AWEZNQCLSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)n1 ZINC000331887601 285169238 /nfs/dbraw/zinc/16/92/38/285169238.db2.gz JOCVYRCUXJWEHS-STQMWFEESA-N 1 0 294.355 2.044 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC000332643302 285184170 /nfs/dbraw/zinc/18/41/70/285184170.db2.gz XLEDXEAVTFGYLU-AWEZNQCLSA-N 1 0 291.351 2.307 20 5 CEBDRO C[NH+](C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281222290 195155310 /nfs/dbraw/zinc/15/53/10/195155310.db2.gz DXENLBNEIRWVFV-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO C[NH+](C)CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281444802 195242687 /nfs/dbraw/zinc/24/26/87/195242687.db2.gz UFNLWYNZNPGCIX-UHFFFAOYSA-N 1 0 292.339 2.201 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412089609 533218131 /nfs/dbraw/zinc/21/81/31/533218131.db2.gz TULQPDAVYFMSQK-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000192083321 130366944 /nfs/dbraw/zinc/36/69/44/130366944.db2.gz FKJVMJWMQYBGGM-HBNTYKKESA-N 1 0 279.340 2.064 20 5 CEBDRO Cc1cc(NCC2(C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000227307620 130840129 /nfs/dbraw/zinc/84/01/29/130840129.db2.gz NRICHVOYRWYTSB-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000236870868 130981274 /nfs/dbraw/zinc/98/12/74/130981274.db2.gz OANXPPBTRUEKGY-SNVBAGLBSA-N 1 0 271.386 2.476 20 5 CEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261608404 131155993 /nfs/dbraw/zinc/15/59/93/131155993.db2.gz DLCVMLAMWPCCRB-OCCSQVGLSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261723122 131164314 /nfs/dbraw/zinc/16/43/14/131164314.db2.gz QGYFNUQKRGUYBG-UHIISALHSA-N 1 0 291.351 2.020 20 5 CEBDRO COc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000271105176 135091387 /nfs/dbraw/zinc/09/13/87/135091387.db2.gz REWKDZSPGPSCPC-JTQLQIEISA-N 1 0 295.314 2.027 20 5 CEBDRO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000421370273 394514230 /nfs/dbraw/zinc/51/42/30/394514230.db2.gz IDLPRKODZNUAAI-DGCLKSJQSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413056536 394476144 /nfs/dbraw/zinc/47/61/44/394476144.db2.gz CVSCJOGCPDNWGQ-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938616 394477178 /nfs/dbraw/zinc/47/71/78/394477178.db2.gz JPIDIDMPCWSNEW-NWDGAFQWSA-N 1 0 293.367 2.467 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413110875 394483924 /nfs/dbraw/zinc/48/39/24/394483924.db2.gz VCXKSNMTDBZIPK-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413108706 394484133 /nfs/dbraw/zinc/48/41/33/394484133.db2.gz FFMZLHHESWRLAU-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO CON1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421205998 394493494 /nfs/dbraw/zinc/49/34/94/394493494.db2.gz HWFTXBJUAUDBJD-LLVKDONJSA-N 1 0 279.340 2.271 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179321 394499269 /nfs/dbraw/zinc/49/92/69/394499269.db2.gz WYUXSCLPNIOGOV-NXEZZACHSA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000421706180 394571253 /nfs/dbraw/zinc/57/12/53/394571253.db2.gz UEDDJYASXXYGFV-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000090692605 394656137 /nfs/dbraw/zinc/65/61/37/394656137.db2.gz BJTHDEUGLGVIOK-CYBMUJFWSA-N 1 0 290.367 2.267 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331264420 394629507 /nfs/dbraw/zinc/62/95/07/394629507.db2.gz GMPIXKYLOVMLSO-JSGCOSHPSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356842985 394629502 /nfs/dbraw/zinc/62/95/02/394629502.db2.gz ZTZJCWWEUGMCFH-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000359095870 394741216 /nfs/dbraw/zinc/74/12/16/394741216.db2.gz KKLJFUTYOIMMAU-NEPJUHHUSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C)[C@H]2C)n1 ZINC000359095873 394741449 /nfs/dbraw/zinc/74/14/49/394741449.db2.gz KKLJFUTYOIMMAU-VXGBXAGGSA-N 1 0 278.356 2.135 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1 ZINC000414861063 394775979 /nfs/dbraw/zinc/77/59/79/394775979.db2.gz DUVNXTNRIUSSMT-JSGCOSHPSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000273448066 394788403 /nfs/dbraw/zinc/78/84/03/394788403.db2.gz OFALYGXUNTWWES-CYBMUJFWSA-N 1 0 250.298 2.124 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000414921168 394803548 /nfs/dbraw/zinc/80/35/48/394803548.db2.gz FEIMRQLTVFXQII-UWVGGRQHSA-N 1 0 255.343 2.016 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000414921161 394803704 /nfs/dbraw/zinc/80/37/04/394803704.db2.gz FEIMRQLTVFXQII-NXEZZACHSA-N 1 0 255.343 2.016 20 5 CEBDRO [NH3+]CC[C@@H](NCc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000415060440 394868452 /nfs/dbraw/zinc/86/84/52/394868452.db2.gz UKJWMRLKHXMBNN-SSDOTTSWSA-N 1 0 283.275 2.026 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414970118 394831878 /nfs/dbraw/zinc/83/18/78/394831878.db2.gz JYZVTKDYCQOWHT-ZDUSSCGKSA-N 1 0 281.331 2.212 20 5 CEBDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570074 394953669 /nfs/dbraw/zinc/95/36/69/394953669.db2.gz WUCXFEHCMKPWOE-YPMHNXCESA-N 1 0 263.341 2.388 20 5 CEBDRO CCOCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285190356 394954632 /nfs/dbraw/zinc/95/46/32/394954632.db2.gz CIWGHOYYOQPUKJ-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415416015 394930171 /nfs/dbraw/zinc/93/01/71/394930171.db2.gz JLMRGHKDJMZXKA-AWEZNQCLSA-N 1 0 294.355 2.398 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCn1ccnc1)C1CC1 ZINC000132642805 394934738 /nfs/dbraw/zinc/93/47/38/394934738.db2.gz AMSVUHUMCAAQJB-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO C[C@@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423523937 394945168 /nfs/dbraw/zinc/94/51/68/394945168.db2.gz IZYSRKMOIHHJNO-LLVKDONJSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286394988 395021587 /nfs/dbraw/zinc/02/15/87/395021587.db2.gz PDUNVWWSPOVCCR-AAEUAGOBSA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285642660 394960585 /nfs/dbraw/zinc/96/05/85/394960585.db2.gz OCDKDAGNLYTVJM-ZDUSSCGKSA-N 1 0 288.294 2.370 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC000340104959 394978307 /nfs/dbraw/zinc/97/83/07/394978307.db2.gz JMLMDMSRJFXBKC-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000426777238 395078550 /nfs/dbraw/zinc/07/85/50/395078550.db2.gz LRNNNRGLHWRGCQ-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO CC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000343270328 395035016 /nfs/dbraw/zinc/03/50/16/395035016.db2.gz LYAXDLJFEMPCJN-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000417848375 395146616 /nfs/dbraw/zinc/14/66/16/395146616.db2.gz KRHRLWVIWBYTAM-JTQLQIEISA-N 1 0 294.355 2.001 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000291786659 395159600 /nfs/dbraw/zinc/15/96/00/395159600.db2.gz GDUWGFSUTLMHAQ-SECBINFHSA-N 1 0 299.396 2.423 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349215865 395161238 /nfs/dbraw/zinc/16/12/38/395161238.db2.gz JEPYERFGISALJF-VIFPVBQESA-N 1 0 269.732 2.389 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917083 395239864 /nfs/dbraw/zinc/23/98/64/395239864.db2.gz LGQBAPIVSGJJAV-UONOGXRCSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586529 395199750 /nfs/dbraw/zinc/19/97/50/395199750.db2.gz BJJLADXUMHNBAS-OCCSQVGLSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000395921696 395214727 /nfs/dbraw/zinc/21/47/27/395214727.db2.gz UEQIVKJYXYQSTB-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000420282469 395293733 /nfs/dbraw/zinc/29/37/33/395293733.db2.gz NFNSINNRPHUWTO-DTWKUNHWSA-N 1 0 295.368 2.233 20 5 CEBDRO Cc1cc(N[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295488905 395295125 /nfs/dbraw/zinc/29/51/25/395295125.db2.gz ZDXQVRCUVGGJPG-JGZJWPJOSA-N 1 0 273.292 2.387 20 5 CEBDRO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371850 395358963 /nfs/dbraw/zinc/35/89/63/395358963.db2.gz PULXZKJTVCTHAM-LALPHHSUSA-N 1 0 277.368 2.113 20 5 CEBDRO Cn1nccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192657548 395390299 /nfs/dbraw/zinc/39/02/99/395390299.db2.gz HLJPZNAJFGRPBG-HNNXBMFYSA-N 1 0 286.335 2.496 20 5 CEBDRO C[NH2+]CCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000420335359 395332702 /nfs/dbraw/zinc/33/27/02/395332702.db2.gz IVVKGDRGQPXJJF-LLVKDONJSA-N 1 0 251.330 2.115 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ncccc1O ZINC000355285550 395396886 /nfs/dbraw/zinc/39/68/86/395396886.db2.gz DQBPZCGMPOLEPR-UTCJRWHESA-N 1 0 285.303 2.498 20 5 CEBDRO COc1ccc(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000420359136 395346328 /nfs/dbraw/zinc/34/63/28/395346328.db2.gz FZNVZFOEEZDFSB-ZIBATOQPSA-N 1 0 293.367 2.080 20 5 CEBDRO Cc1cccc(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000193154664 395402890 /nfs/dbraw/zinc/40/28/90/395402890.db2.gz KJFSKURLFXJTKX-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000565717065 395481461 /nfs/dbraw/zinc/48/14/61/395481461.db2.gz RKSHYYPORUEHLV-WFMXKNRHSA-N 1 0 275.352 2.290 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256075 395599819 /nfs/dbraw/zinc/59/98/19/395599819.db2.gz OIUBJVKTVCVFBP-GXFFZTMASA-N 1 0 282.315 2.327 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000451378507 395612419 /nfs/dbraw/zinc/61/24/19/395612419.db2.gz ZZGNWNURXRSATK-JTQLQIEISA-N 1 0 282.340 2.195 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCC[NH3+] ZINC000568728257 395568548 /nfs/dbraw/zinc/56/85/48/395568548.db2.gz IWKDFOJONFVHBV-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291907 395627535 /nfs/dbraw/zinc/62/75/35/395627535.db2.gz JMRFSGICFNIYDS-FBWDIHGXSA-N 1 0 296.392 2.329 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063192876 400241958 /nfs/dbraw/zinc/24/19/58/400241958.db2.gz RJCBQOADRXOUKH-DGCLKSJQSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239766 400280277 /nfs/dbraw/zinc/28/02/77/400280277.db2.gz OCGFCSSFARYNFF-BXUZGUMPSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000359897053 155162722 /nfs/dbraw/zinc/16/27/22/155162722.db2.gz IAZXKNKYQJVJKE-JTQLQIEISA-N 1 0 291.355 2.035 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193602440 153234427 /nfs/dbraw/zinc/23/44/27/153234427.db2.gz WCAGJHXKQIITNO-FPMFFAJLSA-N 1 0 275.352 2.149 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000219890530 153309096 /nfs/dbraw/zinc/30/90/96/153309096.db2.gz VHAMOKNNVDNWOO-ZYHUDNBSSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1ccc(C[NH2+][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221372196 153309732 /nfs/dbraw/zinc/30/97/32/153309732.db2.gz CLGCVNUPUXOJAP-CQSZACIVSA-N 1 0 280.324 2.262 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943523 153370583 /nfs/dbraw/zinc/37/05/83/153370583.db2.gz CVWPAHNPRDIPAA-MNOVXSKESA-N 1 0 279.340 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000378160315 292285732 /nfs/dbraw/zinc/28/57/32/292285732.db2.gz IXGQCEZYBDGSPY-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1nc(NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000230182798 153383963 /nfs/dbraw/zinc/38/39/63/153383963.db2.gz LKXBTUWSCFAYAA-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000261716356 153816197 /nfs/dbraw/zinc/81/61/97/153816197.db2.gz JESVKBLDHVPPGD-SSDOTTSWSA-N 1 0 296.714 2.449 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH3+] ZINC000261986618 153889006 /nfs/dbraw/zinc/88/90/06/153889006.db2.gz JTRMSVYWLIYQJQ-LDYMZIIASA-N 1 0 269.732 2.027 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263145389 154025329 /nfs/dbraw/zinc/02/53/29/154025329.db2.gz CQEVGYNATRSXIA-DOMZBBRYSA-N 1 0 291.351 2.119 20 5 CEBDRO CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000263250506 154041867 /nfs/dbraw/zinc/04/18/67/154041867.db2.gz OMYSGXDHBXLVGR-FNORWQNLSA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305029950 154205136 /nfs/dbraw/zinc/20/51/36/154205136.db2.gz HLXCYKLJZVOGAX-YRGRVCCFSA-N 1 0 294.351 2.207 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000346695502 154294154 /nfs/dbraw/zinc/29/41/54/154294154.db2.gz CPVLSDHQKKLEPY-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCCC3)CC2)n1 ZINC000357923108 154398342 /nfs/dbraw/zinc/39/83/42/154398342.db2.gz BZGIWWWTTPBWFI-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccsc2Cl)c1 ZINC000359689569 155111484 /nfs/dbraw/zinc/11/14/84/155111484.db2.gz SXRFHGANEWYPAE-UHFFFAOYSA-N 1 0 286.744 2.296 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000366756754 156080064 /nfs/dbraw/zinc/08/00/64/156080064.db2.gz LINVRVZYWVPLHL-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000367459133 156188485 /nfs/dbraw/zinc/18/84/85/156188485.db2.gz QVUJFOXXVWSNPX-HNNXBMFYSA-N 1 0 292.335 2.229 20 5 CEBDRO C[C@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000538604103 298230875 /nfs/dbraw/zinc/23/08/75/298230875.db2.gz WOOQHKAHOVBLKT-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@H](C[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168869774 162370270 /nfs/dbraw/zinc/37/02/70/162370270.db2.gz FERXEUSUXRZJTH-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174816920 165118866 /nfs/dbraw/zinc/11/88/66/165118866.db2.gz MTVHUDBUWVLNAY-AAEUAGOBSA-N 1 0 266.345 2.302 20 5 CEBDRO CC(C)C[NH+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176207365 165159682 /nfs/dbraw/zinc/15/96/82/165159682.db2.gz ZHQFCCUYYKUVIQ-UHFFFAOYSA-N 1 0 268.361 2.405 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248442077 165494439 /nfs/dbraw/zinc/49/44/39/165494439.db2.gz DWPQFSQIASFGLC-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778539 287152587 /nfs/dbraw/zinc/15/25/87/287152587.db2.gz PIMLVSPVIQUPFE-SWLSCSKDSA-N 1 0 275.352 2.341 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)C ZINC000284328108 196031350 /nfs/dbraw/zinc/03/13/50/196031350.db2.gz QEYYYICWUZGCMC-CYBMUJFWSA-N 1 0 266.341 2.434 20 5 CEBDRO CO[C@H]1C[C@@H](CN(C)c2cccc(C)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000284525375 196076965 /nfs/dbraw/zinc/07/69/65/196076965.db2.gz KKDRXYYEIFBIME-STQMWFEESA-N 1 0 293.367 2.059 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000285032202 196182721 /nfs/dbraw/zinc/18/27/21/196182721.db2.gz HUQPQRLABCDBBU-HOSYDEDBSA-N 1 0 279.340 2.253 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000035274483 172094281 /nfs/dbraw/zinc/09/42/81/172094281.db2.gz AWTWIBZBAXADFT-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601473 172290082 /nfs/dbraw/zinc/29/00/82/172290082.db2.gz WMLAQAPLLCPWDD-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035648802 172325257 /nfs/dbraw/zinc/32/52/57/172325257.db2.gz SJMVFUJTGSVQDY-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446459 196287465 /nfs/dbraw/zinc/28/74/65/196287465.db2.gz XSMXNFPALRWHQB-AMIZOPFISA-N 1 0 286.278 2.388 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000285960280 196454027 /nfs/dbraw/zinc/45/40/27/196454027.db2.gz ALBCUHKKHWOGNA-NSHDSACASA-N 1 0 278.356 2.463 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040503157 174299535 /nfs/dbraw/zinc/29/95/35/174299535.db2.gz MCXCUTIPZDAVJU-VIFPVBQESA-N 1 0 295.368 2.200 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040503158 174300087 /nfs/dbraw/zinc/30/00/87/174300087.db2.gz MCXCUTIPZDAVJU-SECBINFHSA-N 1 0 295.368 2.200 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000041678178 174603662 /nfs/dbraw/zinc/60/36/62/174603662.db2.gz PRPUPUISJWVWJG-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO CCCC[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444814 175395992 /nfs/dbraw/zinc/39/59/92/175395992.db2.gz OFEYUYAMEMWFNS-AWEZNQCLSA-N 1 0 296.367 2.457 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000071919956 176299948 /nfs/dbraw/zinc/29/99/48/176299948.db2.gz AKCDEPUCYCWKPN-UHFFFAOYSA-N 1 0 294.355 2.367 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000077424248 177265771 /nfs/dbraw/zinc/26/57/71/177265771.db2.gz VWVDICXTKXHXNI-WDEREUQCSA-N 1 0 252.314 2.010 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078658270 177367398 /nfs/dbraw/zinc/36/73/98/177367398.db2.gz JREZFAQAGGJJJF-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449140473 260248702 /nfs/dbraw/zinc/24/87/02/260248702.db2.gz CAJONOUSFKEBED-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000518361932 260384015 /nfs/dbraw/zinc/38/40/15/260384015.db2.gz IAGNWYLTALLRRM-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488746711 262387977 /nfs/dbraw/zinc/38/79/77/262387977.db2.gz MRHAGVFYULVIEI-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425353414 264072597 /nfs/dbraw/zinc/07/25/97/264072597.db2.gz IYAYWALLIOOROU-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959839 264227354 /nfs/dbraw/zinc/22/73/54/264227354.db2.gz USRJDNQPCPWFMX-GHMZBOCLSA-N 1 0 264.329 2.084 20 5 CEBDRO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000519522390 265449837 /nfs/dbraw/zinc/44/98/37/265449837.db2.gz YVWPEGSZWPKTMP-PAPYEOQZSA-N 1 0 290.367 2.159 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1COC ZINC000420185343 270477872 /nfs/dbraw/zinc/47/78/72/270477872.db2.gz BOCHSBKOTRYGRI-SNVBAGLBSA-N 1 0 267.329 2.009 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000430194213 271361237 /nfs/dbraw/zinc/36/12/37/271361237.db2.gz IKGHUJIARHXBTR-ABAIWWIYSA-N 1 0 294.351 2.460 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000430194219 271361251 /nfs/dbraw/zinc/36/12/51/271361251.db2.gz IKGHUJIARHXBTR-XHDPSFHLSA-N 1 0 294.351 2.460 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000430227741 271365331 /nfs/dbraw/zinc/36/53/31/271365331.db2.gz SJMUUHPMQJLZTL-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000430245576 271367094 /nfs/dbraw/zinc/36/70/94/271367094.db2.gz UBCIVNIUPXUNJD-GNXNZQSNSA-N 1 0 294.351 2.337 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000295974402 273744291 /nfs/dbraw/zinc/74/42/91/273744291.db2.gz KPDWUDZKHHDHFM-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H](F)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351846095 274233574 /nfs/dbraw/zinc/23/35/74/274233574.db2.gz ZTGKRWIJLVBURB-GFCCVEGCSA-N 1 0 281.331 2.465 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063193821 274238187 /nfs/dbraw/zinc/23/81/87/274238187.db2.gz LTUVVCPLEUBFJW-MFKMUULPSA-N 1 0 292.339 2.328 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000373039981 275036405 /nfs/dbraw/zinc/03/64/05/275036405.db2.gz OKADWOLJYOSPFG-CQSZACIVSA-N 1 0 293.392 2.222 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347248542 276104077 /nfs/dbraw/zinc/10/40/77/276104077.db2.gz MFCGHOHHLUHVCM-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270991121 277109106 /nfs/dbraw/zinc/10/91/06/277109106.db2.gz DUIPMBOHLUVIBC-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272664053 277145946 /nfs/dbraw/zinc/14/59/46/277145946.db2.gz RXIYMNBIAIEJCE-IAQYHMDHSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272184650 277146906 /nfs/dbraw/zinc/14/69/06/277146906.db2.gz KTAVXEVRHVXEIX-BXUZGUMPSA-N 1 0 261.325 2.125 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292303978 277186336 /nfs/dbraw/zinc/18/63/36/277186336.db2.gz NUIZRONOQLAFPV-AWEZNQCLSA-N 1 0 279.315 2.266 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339785 288030225 /nfs/dbraw/zinc/03/02/25/288030225.db2.gz HBAYCOJXXQCQEZ-LDYMZIIASA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000086469350 278843799 /nfs/dbraw/zinc/84/37/99/278843799.db2.gz WMBGNSUHLJCDGQ-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO COc1ccc(CN(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000089897916 279703340 /nfs/dbraw/zinc/70/33/40/279703340.db2.gz PZYDMRPGJGLLBT-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544869 280000259 /nfs/dbraw/zinc/00/02/59/280000259.db2.gz YAAZDNIASYIDFJ-AWEZNQCLSA-N 1 0 289.379 2.437 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193566791 280048724 /nfs/dbraw/zinc/04/87/24/280048724.db2.gz XJILUOBYMCIVNE-PRHODGIISA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235611069 280062603 /nfs/dbraw/zinc/06/26/03/280062603.db2.gz BDHDCBLTQNXMES-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278190 280390746 /nfs/dbraw/zinc/39/07/46/280390746.db2.gz LUVCGCWYJSNYRU-UWVGGRQHSA-N 1 0 284.385 2.218 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)CC[C@@H]2C)n1 ZINC000359095888 280398716 /nfs/dbraw/zinc/39/87/16/280398716.db2.gz KNIZZRWQDRQECK-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000359286270 281007692 /nfs/dbraw/zinc/00/76/92/281007692.db2.gz ILXWXPMMACPZPA-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063192568 281016137 /nfs/dbraw/zinc/01/61/37/281016137.db2.gz HBNSQSNLCASPHO-BXUZGUMPSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000352767521 281022790 /nfs/dbraw/zinc/02/27/90/281022790.db2.gz BYZVZOKSTTWMOL-COPLHBTASA-N 1 0 264.325 2.277 20 5 CEBDRO Cc1ccc([C@H](C)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331103 281024452 /nfs/dbraw/zinc/02/44/52/281024452.db2.gz UQXVREGBBHMCQN-GXFFZTMASA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH3+] ZINC000424053132 281116457 /nfs/dbraw/zinc/11/64/57/281116457.db2.gz NZQKWYGABXDVPU-UHFFFAOYSA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424147141 281122341 /nfs/dbraw/zinc/12/23/41/281122341.db2.gz XSTFSJZCQKVUAW-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000278841719 281256782 /nfs/dbraw/zinc/25/67/82/281256782.db2.gz VYFJIEKZPOCSGA-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCC1 ZINC000336849139 281597595 /nfs/dbraw/zinc/59/75/95/281597595.db2.gz PXUXVXGFIBPRJD-LLVKDONJSA-N 1 0 295.387 2.263 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446044236 281721454 /nfs/dbraw/zinc/72/14/54/281721454.db2.gz USICSSPGJFPDTQ-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512063 281830656 /nfs/dbraw/zinc/83/06/56/281830656.db2.gz OHMGPOIKOPBCFT-QWRGUYRKSA-N 1 0 252.318 2.275 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262736294 289016780 /nfs/dbraw/zinc/01/67/80/289016780.db2.gz CPNWGTXWDLWNGO-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000312371970 289281244 /nfs/dbraw/zinc/28/12/44/289281244.db2.gz DVOKIDQACXIOES-CQSZACIVSA-N 1 0 279.315 2.232 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009147 290026580 /nfs/dbraw/zinc/02/65/80/290026580.db2.gz CCCMGOBMTSEDBQ-COPLHBTASA-N 1 0 263.341 2.196 20 5 CEBDRO COc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487059880 290330060 /nfs/dbraw/zinc/33/00/60/290330060.db2.gz OSZUUDHWEIGWSO-CQSZACIVSA-N 1 0 293.367 2.380 20 5 CEBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488327672 290390820 /nfs/dbraw/zinc/39/08/20/290390820.db2.gz MNOPGBFKPCHDKT-UTUOFQBUSA-N 1 0 276.340 2.132 20 5 CEBDRO COc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843007 295131149 /nfs/dbraw/zinc/13/11/49/295131149.db2.gz YQWNWUMIRDLTGV-YPMHNXCESA-N 1 0 293.367 2.020 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261851330 297398238 /nfs/dbraw/zinc/39/82/38/297398238.db2.gz QFCAFFKELSIJGD-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515074747 297564763 /nfs/dbraw/zinc/56/47/63/297564763.db2.gz ZOSOROQNDZPVAM-GXFFZTMASA-N 1 0 264.325 2.333 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385862 298067991 /nfs/dbraw/zinc/06/79/91/298067991.db2.gz WSJWOUJKJGMUSA-NWDGAFQWSA-N 1 0 293.367 2.421 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967891 298127360 /nfs/dbraw/zinc/12/73/60/298127360.db2.gz GZHPAYRGTKVRCO-SWLSCSKDSA-N 1 0 294.351 2.441 20 5 CEBDRO CN(C)C(=O)C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538399515 298228156 /nfs/dbraw/zinc/22/81/56/298228156.db2.gz JVWFGGQOOARGPR-CLFYSBASSA-N 1 0 291.351 2.064 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566556558 299002233 /nfs/dbraw/zinc/00/22/33/299002233.db2.gz OWFIWBQYGQTBOZ-RISCZKNCSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)o1 ZINC000351275507 313003756 /nfs/dbraw/zinc/00/37/56/313003756.db2.gz PHYZACBDYKDVQU-UHFFFAOYSA-N 1 0 290.279 2.323 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000515754501 313076898 /nfs/dbraw/zinc/07/68/98/313076898.db2.gz ZAUPJMVUBJNDKO-NEPJUHHUSA-N 1 0 291.351 2.080 20 5 CEBDRO COC[C@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000527106154 313166204 /nfs/dbraw/zinc/16/62/04/313166204.db2.gz VLOYFFDBJLHYHV-LLVKDONJSA-N 1 0 252.314 2.009 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000543643811 313459444 /nfs/dbraw/zinc/45/94/44/313459444.db2.gz UKLLNQPGNORNIU-UHFFFAOYSA-N 1 0 298.318 2.149 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cn[nH]c1 ZINC000576291530 314260741 /nfs/dbraw/zinc/26/07/41/314260741.db2.gz KVYJWCYRWNPCRN-ZDUSSCGKSA-N 1 0 272.308 2.138 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576815738 314312901 /nfs/dbraw/zinc/31/29/01/314312901.db2.gz LQCQBMDNDYXPCF-LBPRGKRZSA-N 1 0 291.351 2.152 20 5 CEBDRO CC(C)C[C@H]([NH3+])CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581990768 322437014 /nfs/dbraw/zinc/43/70/14/322437014.db2.gz MFMBQVCFNMVYQB-ZDUSSCGKSA-N 1 0 277.368 2.326 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]12 ZINC000582291560 322460962 /nfs/dbraw/zinc/46/09/62/322460962.db2.gz ITWUPDWNUUUIOA-ZLKJLUDKSA-N 1 0 298.346 2.317 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736130 322499547 /nfs/dbraw/zinc/49/95/47/322499547.db2.gz UDSSGCRHVPFBJD-KWBADKCTSA-N 1 0 264.325 2.331 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000584390503 329325309 /nfs/dbraw/zinc/32/53/09/329325309.db2.gz IDLVVSXUKOGMAM-WUHRBBMRSA-N 1 0 294.355 2.042 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000313123533 536009266 /nfs/dbraw/zinc/00/92/66/536009266.db2.gz WIRZTCLUJCGJCO-STQMWFEESA-N 1 0 252.314 2.234 20 5 CEBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000069535043 518383442 /nfs/dbraw/zinc/38/34/42/518383442.db2.gz VCHXDRGTWZDULK-LLVKDONJSA-N 1 0 277.324 2.161 20 5 CEBDRO CC(C)[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000049617382 519644475 /nfs/dbraw/zinc/64/44/75/519644475.db2.gz LDTTZTBMQDSVSZ-UHFFFAOYSA-N 1 0 252.314 2.188 20 5 CEBDRO CCCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374525 520432381 /nfs/dbraw/zinc/43/23/81/520432381.db2.gz BBFJGUNUYAIYPW-CQSZACIVSA-N 1 0 291.351 2.432 20 5 CEBDRO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443680 523989105 /nfs/dbraw/zinc/98/91/05/523989105.db2.gz IRZLTDNHHKIBJB-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C(C)(C)C ZINC000183672486 525463298 /nfs/dbraw/zinc/46/32/98/525463298.db2.gz YCUUNYPGJKHEAW-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815910 525728319 /nfs/dbraw/zinc/72/83/19/525728319.db2.gz ZDNVLSCVHSIXAF-QWHCGFSZSA-N 1 0 291.351 2.037 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357056216 534880035 /nfs/dbraw/zinc/88/00/35/534880035.db2.gz SFJAPQHNCPVZBO-CYBMUJFWSA-N 1 0 295.408 2.478 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068340803 526872099 /nfs/dbraw/zinc/87/20/99/526872099.db2.gz AFAXUYXZVQGHRJ-SNVBAGLBSA-N 1 0 297.380 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000364844842 527361028 /nfs/dbraw/zinc/36/10/28/527361028.db2.gz SITNHJJLIPFVKQ-CQSZACIVSA-N 1 0 290.367 2.445 20 5 CEBDRO [NH3+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964293 527401072 /nfs/dbraw/zinc/40/10/72/527401072.db2.gz UXOPAXVZPHNLHA-JTQLQIEISA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000746653058 574509339 /nfs/dbraw/zinc/50/93/39/574509339.db2.gz JEUNFUCVZMGZSS-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754372791 574581612 /nfs/dbraw/zinc/58/16/12/574581612.db2.gz KFOAXNZSVLJNNM-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO CCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749950227 575241341 /nfs/dbraw/zinc/24/13/41/575241341.db2.gz JQHUBSVGMFHGBY-UHFFFAOYSA-N 1 0 289.339 2.480 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954338 575241833 /nfs/dbraw/zinc/24/18/33/575241833.db2.gz MYVKNARVLQAIDS-ZJUUUORDSA-N 1 0 289.339 2.336 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[NH+](C)C)c1 ZINC000804854606 623269558 /nfs/dbraw/zinc/26/95/58/623269558.db2.gz JRQNDCZGVCTXKT-QMMMGPOBSA-N 1 0 271.292 2.105 20 5 CEBDRO CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963573 623276082 /nfs/dbraw/zinc/27/60/82/623276082.db2.gz CFRPZUUHHSOBSH-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO [NH3+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249427 623374440 /nfs/dbraw/zinc/37/44/40/623374440.db2.gz XVBZWXGHJQFXBO-VIFPVBQESA-N 1 0 269.732 2.029 20 5 CEBDRO C[NH2+]C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000261643508 623415274 /nfs/dbraw/zinc/41/52/74/623415274.db2.gz XHHSTXNGSZEWJF-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000891814313 623989898 /nfs/dbraw/zinc/98/98/98/623989898.db2.gz LXQPXODDSGIWDS-LBPRGKRZSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000725779882 624776321 /nfs/dbraw/zinc/77/63/21/624776321.db2.gz TZNAXVPFFMSCBD-SNVBAGLBSA-N 1 0 260.297 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCCCO)cc1 ZINC000236495360 625948183 /nfs/dbraw/zinc/94/81/83/625948183.db2.gz HJJZJVZLZMWRMA-UHFFFAOYSA-N 1 0 266.341 2.280 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(C3CC3)CC2)cc1 ZINC000236522079 625955083 /nfs/dbraw/zinc/95/50/83/625955083.db2.gz JFQQKKQJGYPLIG-AWEZNQCLSA-N 1 0 276.336 2.408 20 5 CEBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000057994224 627383326 /nfs/dbraw/zinc/38/33/26/627383326.db2.gz MGRNODOGGFXKPH-CYBMUJFWSA-N 1 0 277.368 2.416 20 5 CEBDRO CC(C)CCCC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893135237 628028305 /nfs/dbraw/zinc/02/83/05/628028305.db2.gz ORWQSXQVGJFINV-UHFFFAOYSA-N 1 0 254.334 2.207 20 5 CEBDRO C[C@@H](CCNc1c([N+](=O)[O-])cnn1C)[NH+]1CCCCC1 ZINC000893148908 628036506 /nfs/dbraw/zinc/03/65/06/628036506.db2.gz CUUNVIYAISBHBN-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000313563564 628617999 /nfs/dbraw/zinc/61/79/99/628617999.db2.gz QHYHZIIEFDZNON-IINYFYTJSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902464562 634683303 /nfs/dbraw/zinc/68/33/03/634683303.db2.gz AFJDVVXLONOTRQ-QEGRKFQGSA-N 1 0 261.325 2.138 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338761 628822114 /nfs/dbraw/zinc/82/21/14/628822114.db2.gz PVPHLXLUIALNGP-MDZLAQPJSA-N 1 0 263.341 2.325 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000893868405 629022168 /nfs/dbraw/zinc/02/21/68/629022168.db2.gz POUKCLDLGBJBLQ-LLVKDONJSA-N 1 0 294.307 2.091 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000893941904 629056621 /nfs/dbraw/zinc/05/66/21/629056621.db2.gz XIZUALKRKGEILF-BZNIZROVSA-N 1 0 298.346 2.283 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893941582 629056642 /nfs/dbraw/zinc/05/66/42/629056642.db2.gz UZPQLUIHDODVNU-PRHODGIISA-N 1 0 283.278 2.013 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261694508 629086098 /nfs/dbraw/zinc/08/60/98/629086098.db2.gz HTAGXOYLAGRENH-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868797 629227021 /nfs/dbraw/zinc/22/70/21/629227021.db2.gz GAFGVOKHIAZSPP-MFKMUULPSA-N 1 0 252.314 2.359 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC1CCC([NH+](C)C)CC1 ZINC000894247337 629254006 /nfs/dbraw/zinc/25/40/06/629254006.db2.gz WKQMYFWRJXDDSO-UHFFFAOYSA-N 1 0 294.355 2.283 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261981070 629409057 /nfs/dbraw/zinc/40/90/57/629409057.db2.gz RIHLMOFMLWPLEZ-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262000927 629420785 /nfs/dbraw/zinc/42/07/85/629420785.db2.gz UCOBPXHMHUTXBA-LLVKDONJSA-N 1 0 283.759 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+](C)C ZINC000821507524 634743523 /nfs/dbraw/zinc/74/35/23/634743523.db2.gz CDIURJMYLXRCFI-SNVBAGLBSA-N 1 0 294.355 2.222 20 5 CEBDRO C[NH+]1C[C@]2(C)CN(c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000894796341 629644567 /nfs/dbraw/zinc/64/45/67/629644567.db2.gz ARQZZQYQINIFJY-HUUCEWRRSA-N 1 0 275.352 2.373 20 5 CEBDRO COc1c(O)ccc(CN2CC3(CC(F)C3)C2)c1[N+](=O)[O-] ZINC000894830853 629669455 /nfs/dbraw/zinc/66/94/55/629669455.db2.gz UISJSHLRKYTAPT-UHFFFAOYSA-N 1 0 296.298 2.243 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000895100524 629896289 /nfs/dbraw/zinc/89/62/89/629896289.db2.gz VAULDKVRPQPEBD-PHIMTYICSA-N 1 0 278.356 2.217 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652927 630294642 /nfs/dbraw/zinc/29/46/42/630294642.db2.gz KCDMSWXYUHIYHN-HDHJSLLGSA-N 1 0 274.320 2.065 20 5 CEBDRO CCO[C@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000896115756 630468332 /nfs/dbraw/zinc/46/83/32/630468332.db2.gz MPCQALHMCMJPHL-SNVBAGLBSA-N 1 0 285.319 2.113 20 5 CEBDRO CCO[C@@H](CNc1sccc1[N+](=O)[O-])C[NH+](C)C ZINC000896118288 630469777 /nfs/dbraw/zinc/46/97/77/630469777.db2.gz YWNPKJAJRZSPFN-VIFPVBQESA-N 1 0 273.358 2.035 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCS1 ZINC000896950936 630837981 /nfs/dbraw/zinc/83/79/81/630837981.db2.gz FZCXMTFBMVGFFR-JYBOHDQNSA-N 1 0 296.396 2.369 20 5 CEBDRO C[C@]1(CN2CCc3c(cccc3[N+](=O)[O-])C2)CCC[NH2+]C1 ZINC000904322169 635567635 /nfs/dbraw/zinc/56/76/35/635567635.db2.gz QOKISYIUDWXOPT-INIZCTEOSA-N 1 0 289.379 2.343 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000800847182 631149101 /nfs/dbraw/zinc/14/91/01/631149101.db2.gz QQXUXQXMUYZFGT-SNVBAGLBSA-N 1 0 276.340 2.073 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000801546120 631286816 /nfs/dbraw/zinc/28/68/16/631286816.db2.gz IDGDAVMSRPWHOB-GXSJLCMTSA-N 1 0 296.298 2.117 20 5 CEBDRO C[C@@H](C[NH2+]C1CSC1)c1ccccc1[N+](=O)[O-] ZINC000897465751 631532206 /nfs/dbraw/zinc/53/22/06/631532206.db2.gz HPEMDCGHZBLVQZ-VIFPVBQESA-N 1 0 252.339 2.403 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064699 632383147 /nfs/dbraw/zinc/38/31/47/632383147.db2.gz TVDSJLSMUUCZGT-SKDRFNHKSA-N 1 0 283.759 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cn[nH]c2)cc1Cl ZINC000811513582 632393478 /nfs/dbraw/zinc/39/34/78/632393478.db2.gz WZJCFZMOKDICAV-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085873 632454474 /nfs/dbraw/zinc/45/44/74/632454474.db2.gz SIEKWQNNPAYTGV-JSGCOSHPSA-N 1 0 294.351 2.359 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085878 632454929 /nfs/dbraw/zinc/45/49/29/632454929.db2.gz SIEKWQNNPAYTGV-OCCSQVGLSA-N 1 0 294.351 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C\Cl)CC2)cn1 ZINC000898430227 632492484 /nfs/dbraw/zinc/49/24/84/632492484.db2.gz XEWQNTRGFSQUKE-BHQIHCQQSA-N 1 0 296.758 2.301 20 5 CEBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000812294941 632504200 /nfs/dbraw/zinc/50/42/00/632504200.db2.gz CDMHEGINGAEZNP-CYBMUJFWSA-N 1 0 290.323 2.013 20 5 CEBDRO C[C@@H](COC(=O)c1cccc(C[NH+]2CCCC2)c1)[N+](=O)[O-] ZINC000813107204 632624701 /nfs/dbraw/zinc/62/47/01/632624701.db2.gz MOIVHYSMTQNLMI-LBPRGKRZSA-N 1 0 292.335 2.104 20 5 CEBDRO C[N@H+](CCCCNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000840315710 632812713 /nfs/dbraw/zinc/81/27/13/632812713.db2.gz DBKFFGIQMUGVTO-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO Cc1ccc(Br)cc1C[NH2+]CC[N+](=O)[O-] ZINC000905229661 635873540 /nfs/dbraw/zinc/87/35/40/635873540.db2.gz MGKPJZJNBLOBIU-UHFFFAOYSA-N 1 0 273.130 2.124 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000905215881 635883885 /nfs/dbraw/zinc/88/38/85/635883885.db2.gz AWGRHCJHTYTEQA-SNVBAGLBSA-N 1 0 262.231 2.199 20 5 CEBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]CC[N+](=O)[O-] ZINC000899876952 633068009 /nfs/dbraw/zinc/06/80/09/633068009.db2.gz VXTZQPAUDYMOJQ-VIFPVBQESA-N 1 0 287.157 2.246 20 5 CEBDRO C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC[NH2+]1 ZINC000818432931 633922067 /nfs/dbraw/zinc/92/20/67/633922067.db2.gz CTTUJISMADQMAX-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO COCCCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984499 634029427 /nfs/dbraw/zinc/02/94/27/634029427.db2.gz ABVPOAZWHBVEOT-AWEZNQCLSA-N 1 0 282.340 2.035 20 5 CEBDRO Cc1ncsc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016824 634040405 /nfs/dbraw/zinc/04/04/05/634040405.db2.gz CPJXPWDDLIXPMM-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO CCCC[C@@H](COC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087447 634063837 /nfs/dbraw/zinc/06/38/37/634063837.db2.gz HYJZEIZPYMPEJF-ZFWWWQNUSA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)C1CC1 ZINC000819211747 634105754 /nfs/dbraw/zinc/10/57/54/634105754.db2.gz FATQFCVCDCSMON-CYBMUJFWSA-N 1 0 284.743 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)c1 ZINC000819281653 634126498 /nfs/dbraw/zinc/12/64/98/634126498.db2.gz WBSPCOSQEIORJX-BFHYXJOUSA-N 1 0 262.309 2.016 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903097547 634977578 /nfs/dbraw/zinc/97/75/78/634977578.db2.gz TWBBGBACEOGGBS-ZWNOBZJWSA-N 1 0 282.340 2.415 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903097546 634977817 /nfs/dbraw/zinc/97/78/17/634977817.db2.gz TWBBGBACEOGGBS-MFKMUULPSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1ccc(-c2noc([C@@H]3CC[NH2+][C@H]3C)n2)cc1[N+](=O)[O-] ZINC000822722981 634981069 /nfs/dbraw/zinc/98/10/69/634981069.db2.gz MSYQJZAKGBEMQV-GXSJLCMTSA-N 1 0 288.307 2.419 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCC2CC(O)C2)cc([N+](=O)[O-])c1 ZINC000903160176 634993879 /nfs/dbraw/zinc/99/38/79/634993879.db2.gz KXFKMXBTAOBQNV-CDWSIMAYSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CC[NH2+][C@H]2C)n1 ZINC000822808038 635000059 /nfs/dbraw/zinc/00/00/59/635000059.db2.gz OSHJUFAMKZIMQJ-CABZTGNLSA-N 1 0 288.307 2.419 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903199311 635009405 /nfs/dbraw/zinc/00/94/05/635009405.db2.gz JWRHBXLXCDWKCO-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200869 635010291 /nfs/dbraw/zinc/01/02/91/635010291.db2.gz UGOHSSXRBKMFON-BXKDBHETSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1cc(Cc2noc(CC[C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822862505 635013827 /nfs/dbraw/zinc/01/38/27/635013827.db2.gz JTBRKMWOQOQFIU-SNVBAGLBSA-N 1 0 290.323 2.157 20 5 CEBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302219 635049384 /nfs/dbraw/zinc/04/93/84/635049384.db2.gz XGUVFAOGGSZUTJ-JBLDHEPKSA-N 1 0 281.331 2.477 20 5 CEBDRO CN1CC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903315903 635063191 /nfs/dbraw/zinc/06/31/91/635063191.db2.gz AFBKDWYZHUFAOM-HIFRSBDPSA-N 1 0 275.352 2.266 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)cn1 ZINC000903350377 635079512 /nfs/dbraw/zinc/07/95/12/635079512.db2.gz BLCOJAKHTPMXOR-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903403793 635111516 /nfs/dbraw/zinc/11/15/16/635111516.db2.gz GOVLKVIRZQPUPM-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903403783 635111599 /nfs/dbraw/zinc/11/15/99/635111599.db2.gz GOVLKVIRZQPUPM-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000903529530 635162301 /nfs/dbraw/zinc/16/23/01/635162301.db2.gz HWYZBULTRPZAQS-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841078088 635260883 /nfs/dbraw/zinc/26/08/83/635260883.db2.gz FSSMCQANHHUVSD-SFYZADRCSA-N 1 0 257.721 2.074 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[C@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903859444 635310662 /nfs/dbraw/zinc/31/06/62/635310662.db2.gz NKKMPAFFKNQZBD-HIFRSBDPSA-N 1 0 275.352 2.216 20 5 CEBDRO [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000904308189 635558245 /nfs/dbraw/zinc/55/82/45/635558245.db2.gz LTCNSHBGEOEKDJ-BJHJDKERSA-N 1 0 275.352 2.297 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCSc1ccc(F)cc1 ZINC000905028595 635793601 /nfs/dbraw/zinc/79/36/01/635793601.db2.gz ZYMHBTUAWXQXJY-UHFFFAOYSA-N 1 0 258.318 2.174 20 5 CEBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(C)c1 ZINC000905155672 635832270 /nfs/dbraw/zinc/83/22/70/635832270.db2.gz QHOXTJBSLLZUEX-LBPRGKRZSA-N 1 0 252.314 2.019 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000905203342 635878375 /nfs/dbraw/zinc/87/83/75/635878375.db2.gz VJSCGLGDUHRGAS-NSHDSACASA-N 1 0 270.716 2.420 20 5 CEBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876537743 650311404 /nfs/dbraw/zinc/31/14/04/650311404.db2.gz BEPPGIBVUQYLOP-UHFFFAOYSA-N 1 0 287.319 2.215 20 5 CEBDRO Cc1ccc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876546089 650316796 /nfs/dbraw/zinc/31/67/96/650316796.db2.gz XZWGQCLQBSQVOF-HWPRWLFBSA-N 1 0 289.335 2.398 20 5 CEBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835076817 638050395 /nfs/dbraw/zinc/05/03/95/638050395.db2.gz WAWRYJSYZDORED-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876786403 650431132 /nfs/dbraw/zinc/43/11/32/650431132.db2.gz GZQFJSIGNCBWNL-JTQLQIEISA-N 1 0 287.319 2.073 20 5 CEBDRO CC(C)([NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841031610 639623458 /nfs/dbraw/zinc/62/34/58/639623458.db2.gz YAAZTXJFFWQUHB-UHFFFAOYSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000841041599 639629951 /nfs/dbraw/zinc/62/99/51/639629951.db2.gz AEUKYKGDJJPHKG-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000841049986 639633248 /nfs/dbraw/zinc/63/32/48/639633248.db2.gz BBHNYUHBLQWONC-UHFFFAOYSA-N 1 0 269.732 2.219 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841063881 639640102 /nfs/dbraw/zinc/64/01/02/639640102.db2.gz BHLQBDCRKQLDLE-TVQRCGJNSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[C@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841069922 639642565 /nfs/dbraw/zinc/64/25/65/639642565.db2.gz HPEBDRNNMIUUNW-VIFPVBQESA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000228559800 639644212 /nfs/dbraw/zinc/64/42/12/639644212.db2.gz GIEOYQZDULIOPR-JTQLQIEISA-N 1 0 274.280 2.112 20 5 CEBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876978222 650516159 /nfs/dbraw/zinc/51/61/59/650516159.db2.gz LUXZTECMUBUFJY-JTQLQIEISA-N 1 0 287.319 2.086 20 5 CEBDRO C[NH2+]CCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841102852 639670758 /nfs/dbraw/zinc/67/07/58/639670758.db2.gz AEBGOBBVHYLXSE-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCSCC2)cc1 ZINC000229258704 639687297 /nfs/dbraw/zinc/68/72/97/639687297.db2.gz YQWCUFUOEIFBOH-AWEZNQCLSA-N 1 0 296.392 2.361 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000841233214 639713766 /nfs/dbraw/zinc/71/37/66/639713766.db2.gz ONWRIYCMRMGSNI-MRVPVSSYSA-N 1 0 298.730 2.122 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]2CO)c1 ZINC000230680551 639776638 /nfs/dbraw/zinc/77/66/38/639776638.db2.gz URAFXTJHRGTBLY-ZANVPECISA-N 1 0 284.743 2.499 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063166635 639835722 /nfs/dbraw/zinc/83/57/22/639835722.db2.gz SBUCCGINCDBLBN-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO C[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063159684 639835780 /nfs/dbraw/zinc/83/57/80/639835780.db2.gz AFVREJWCIDSAGJ-UHFFFAOYSA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173527708 639864085 /nfs/dbraw/zinc/86/40/85/639864085.db2.gz FJKKDRBIVBMMHC-SNVBAGLBSA-N 1 0 260.297 2.386 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842586150 640110505 /nfs/dbraw/zinc/11/05/05/640110505.db2.gz IYAICEAOFKSTEH-NSHDSACASA-N 1 0 291.311 2.273 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057858 640259453 /nfs/dbraw/zinc/25/94/53/640259453.db2.gz MRTSRRRUGCOMQJ-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc(-c2noc(C[C@H]([NH3+])C3CC3)n2)cc1[N+](=O)[O-] ZINC000843178870 640330190 /nfs/dbraw/zinc/33/01/90/640330190.db2.gz OFIGJADDNWEHMW-NSHDSACASA-N 1 0 288.307 2.233 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC[NH2+]C(C)C)n1 ZINC000843187382 640338275 /nfs/dbraw/zinc/33/82/75/640338275.db2.gz OTQMPFMAVJDMRZ-UHFFFAOYSA-N 1 0 290.323 2.494 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC(C)(C)[NH3+])n1 ZINC000843188029 640339387 /nfs/dbraw/zinc/33/93/87/640339387.db2.gz WZNUAWXWLSBPEO-UHFFFAOYSA-N 1 0 276.296 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]CC3CC3)n2)s1 ZINC000843218970 640351712 /nfs/dbraw/zinc/35/17/12/640351712.db2.gz NDABQLYUQYULIR-UHFFFAOYSA-N 1 0 280.309 2.206 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CCC[NH+](C)C ZINC000843848499 640541714 /nfs/dbraw/zinc/54/17/14/640541714.db2.gz YUBWRKXWLRXMLB-UHFFFAOYSA-N 1 0 297.330 2.066 20 5 CEBDRO CC1(C)CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH2+]C1 ZINC000877158228 650603003 /nfs/dbraw/zinc/60/30/03/650603003.db2.gz QFXQAMLGHKCFHM-GFCCVEGCSA-N 1 0 291.351 2.103 20 5 CEBDRO C[N@H+](CCn1ccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000918377760 640957609 /nfs/dbraw/zinc/95/76/09/640957609.db2.gz KKBAABGZDACHRF-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccs2)cc1 ZINC000105885141 640971067 /nfs/dbraw/zinc/97/10/67/640971067.db2.gz KVSSHVLIARBTMG-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO C[NH+](C)C1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845509048 640989196 /nfs/dbraw/zinc/98/91/96/640989196.db2.gz AHFHRLXMCOBJCK-UHFFFAOYSA-N 1 0 273.695 2.138 20 5 CEBDRO C[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847962760 641853012 /nfs/dbraw/zinc/85/30/12/641853012.db2.gz JJDWFKAAQCMEEC-GFCCVEGCSA-N 1 0 286.372 2.240 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CCO)C1CC1 ZINC000848534227 642038694 /nfs/dbraw/zinc/03/86/94/642038694.db2.gz QAIGUGPERSULAV-UONOGXRCSA-N 1 0 276.336 2.333 20 5 CEBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])OCCCO1 ZINC000848547543 642047235 /nfs/dbraw/zinc/04/72/35/642047235.db2.gz QSBZRQBOZPHUSU-CYBMUJFWSA-N 1 0 292.335 2.325 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000849168497 642276640 /nfs/dbraw/zinc/27/66/40/642276640.db2.gz ZEUBYENRLDDPNB-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1OCCCO1 ZINC000922281587 642998678 /nfs/dbraw/zinc/99/86/78/642998678.db2.gz VUJUKLXIZTYHSW-XYOKQWHBSA-N 1 0 292.335 2.351 20 5 CEBDRO CN(C)c1cc[nH+]c(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000922482026 643083867 /nfs/dbraw/zinc/08/38/67/643083867.db2.gz WYUMJCPLRJZTBL-UHFFFAOYSA-N 1 0 286.335 2.346 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000922557533 643127993 /nfs/dbraw/zinc/12/79/93/643127993.db2.gz QAYCXQLYWRMPPV-QZWGFMDZSA-N 1 0 275.352 2.290 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907313 643219195 /nfs/dbraw/zinc/21/91/95/643219195.db2.gz SNDKSNZSAVJYLI-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC3(COC3)C2)ccc1Cl ZINC000852683566 643510065 /nfs/dbraw/zinc/51/00/65/643510065.db2.gz KIFXSNXRRRIZAU-UHFFFAOYSA-N 1 0 282.727 2.471 20 5 CEBDRO COC(=O)C[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000877707389 650863846 /nfs/dbraw/zinc/86/38/46/650863846.db2.gz RTPSOUUUDXUEPZ-ZDUSSCGKSA-N 1 0 298.364 2.478 20 5 CEBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1F ZINC000853248557 643721949 /nfs/dbraw/zinc/72/19/49/643721949.db2.gz VOLNCSUJAACDGI-GHMZBOCLSA-N 1 0 287.722 2.119 20 5 CEBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]C1 ZINC000853311572 643735822 /nfs/dbraw/zinc/73/58/22/643735822.db2.gz UTYHTODTCVHFGF-GFCCVEGCSA-N 1 0 298.730 2.122 20 5 CEBDRO C[NH+](C)CC1CN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000853651854 643846873 /nfs/dbraw/zinc/84/68/73/643846873.db2.gz RJCFCVQGGXJHJF-UHFFFAOYSA-N 1 0 292.364 2.202 20 5 CEBDRO Cc1ccc(-c2noc(C[NH2+]C(C)C)n2)cc1[N+](=O)[O-] ZINC000854136466 643994098 /nfs/dbraw/zinc/99/40/98/643994098.db2.gz DDYOOCAAHRKZFL-UHFFFAOYSA-N 1 0 276.296 2.451 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH2+]C(C)C)n1 ZINC000854139586 643996339 /nfs/dbraw/zinc/99/63/39/643996339.db2.gz WXFKEMOYYGGDMI-UHFFFAOYSA-N 1 0 276.296 2.451 20 5 CEBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150665 643999415 /nfs/dbraw/zinc/99/94/15/643999415.db2.gz SYFCPKLWIOBEML-LURJTMIESA-N 1 0 268.298 2.377 20 5 CEBDRO CCN(CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000112200199 644045167 /nfs/dbraw/zinc/04/51/67/644045167.db2.gz ZMRVBLCOXZQRRV-UHFFFAOYSA-N 1 0 291.307 2.192 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877744825 650892070 /nfs/dbraw/zinc/89/20/70/650892070.db2.gz YFBNZKSLPWQCEI-RYUDHWBXSA-N 1 0 281.381 2.182 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761084603 645234974 /nfs/dbraw/zinc/23/49/74/645234974.db2.gz AUSWZYCIZWLHQA-GXFFZTMASA-N 1 0 275.308 2.018 20 5 CEBDRO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506869 645292483 /nfs/dbraw/zinc/29/24/83/645292483.db2.gz OFKBRUFOQRFFDO-UHFFFAOYSA-N 1 0 258.705 2.326 20 5 CEBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526320 645293766 /nfs/dbraw/zinc/29/37/66/645293766.db2.gz KMEBRSKKGPHDHH-QMMMGPOBSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768525726 646135783 /nfs/dbraw/zinc/13/57/83/646135783.db2.gz KWKCIVKOZZQOAF-NXEZZACHSA-N 1 0 294.311 2.032 20 5 CEBDRO C[C@@H](C(=O)OCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000861389520 646168968 /nfs/dbraw/zinc/16/89/68/646168968.db2.gz OTGILYXYIICVBO-SNVBAGLBSA-N 1 0 296.298 2.086 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000770362875 646382754 /nfs/dbraw/zinc/38/27/54/646382754.db2.gz OWJXTJHDHTXZTQ-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1CC1 ZINC000864462294 647016666 /nfs/dbraw/zinc/01/66/66/647016666.db2.gz LOAIZTRBSJZALW-UHFFFAOYSA-N 1 0 276.340 2.051 20 5 CEBDRO CCO[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274338 647044672 /nfs/dbraw/zinc/04/46/72/647044672.db2.gz CGCRAYJDECYVAJ-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590124 647076000 /nfs/dbraw/zinc/07/60/00/647076000.db2.gz YJVSGLOPCNSROA-GWCFXTLKSA-N 1 0 250.298 2.113 20 5 CEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000776593281 647076396 /nfs/dbraw/zinc/07/63/96/647076396.db2.gz FQFHVBQSUWAIIE-STQMWFEESA-N 1 0 282.365 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCSCC2)cc1 ZINC000776595802 647077516 /nfs/dbraw/zinc/07/75/16/647077516.db2.gz SDKYRRBSIFALMB-CYBMUJFWSA-N 1 0 282.365 2.067 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000778078569 647198470 /nfs/dbraw/zinc/19/84/70/647198470.db2.gz NBBMDNILEYKCNH-JTQLQIEISA-N 1 0 290.298 2.245 20 5 CEBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783019034 647670425 /nfs/dbraw/zinc/67/04/25/647670425.db2.gz TXWBCYPGGQJPAU-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206362 647670891 /nfs/dbraw/zinc/67/08/91/647670891.db2.gz KJJNULVZIIGFSI-PWSUYJOCSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000866213976 647675556 /nfs/dbraw/zinc/67/55/56/647675556.db2.gz FIYJRGTWVVQYDC-MFKMUULPSA-N 1 0 282.315 2.434 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215488 647676291 /nfs/dbraw/zinc/67/62/91/647676291.db2.gz YPEDMOPWCYQZHH-JOYOIKCWSA-N 1 0 270.304 2.025 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215486 647676367 /nfs/dbraw/zinc/67/63/67/647676367.db2.gz YPEDMOPWCYQZHH-BXKDBHETSA-N 1 0 270.304 2.025 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1O ZINC000783579740 647731905 /nfs/dbraw/zinc/73/19/05/647731905.db2.gz IADGKCPHRWWYFI-ZWNOBZJWSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)O ZINC000783611026 647737081 /nfs/dbraw/zinc/73/70/81/647737081.db2.gz OFLGYPNMDKCBIO-QMMMGPOBSA-N 1 0 272.732 2.497 20 5 CEBDRO CO[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345048 647747464 /nfs/dbraw/zinc/74/74/64/647747464.db2.gz FRPPKCYHGZFQQL-VHSXEESVSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000866346998 647748649 /nfs/dbraw/zinc/74/86/49/647748649.db2.gz IPWQINHNTPSXEX-SUNKGSAMSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000866368479 647759601 /nfs/dbraw/zinc/75/96/01/647759601.db2.gz CPABTXYRUWKMKM-BMIGLBTASA-N 1 0 296.342 2.416 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000866367966 647759821 /nfs/dbraw/zinc/75/98/21/647759821.db2.gz RZDJRVUYLSDKFW-BREBYQMCSA-N 1 0 284.331 2.414 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000868000810 648016520 /nfs/dbraw/zinc/01/65/20/648016520.db2.gz YCZRJFMVWCTFOL-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788573842 648204134 /nfs/dbraw/zinc/20/41/34/648204134.db2.gz RHDASDXDURZMLC-JTQLQIEISA-N 1 0 281.356 2.379 20 5 CEBDRO O=[N+]([O-])CCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000791054279 648477389 /nfs/dbraw/zinc/47/73/89/648477389.db2.gz SOLMDCBEAARUDY-UHFFFAOYSA-N 1 0 299.374 2.234 20 5 CEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000792195841 648623205 /nfs/dbraw/zinc/62/32/05/648623205.db2.gz GACFOIGIQHCUQO-STQMWFEESA-N 1 0 292.335 2.335 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870571295 648837029 /nfs/dbraw/zinc/83/70/29/648837029.db2.gz JMMPZIDDTDDAAD-ZDUSSCGKSA-N 1 0 280.324 2.338 20 5 CEBDRO C[C@H]([NH2+]CCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019013 649242795 /nfs/dbraw/zinc/24/27/95/649242795.db2.gz RWMPADMRTAYWAJ-JTQLQIEISA-N 1 0 278.287 2.281 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077356 649264956 /nfs/dbraw/zinc/26/49/56/649264956.db2.gz HGAFVKZLVIEZKX-SNVBAGLBSA-N 1 0 292.314 2.361 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000872217549 649319585 /nfs/dbraw/zinc/31/95/85/649319585.db2.gz ZQOJMPLLEUVXML-BXUZGUMPSA-N 1 0 296.392 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219487 649320310 /nfs/dbraw/zinc/32/03/10/649320310.db2.gz SKMSSAXCRKROBQ-BFHYXJOUSA-N 1 0 282.315 2.499 20 5 CEBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872778427 649486012 /nfs/dbraw/zinc/48/60/12/649486012.db2.gz AJNZNIOFXDWXBC-STQMWFEESA-N 1 0 291.351 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCSCCCO ZINC000873045951 649542480 /nfs/dbraw/zinc/54/24/80/649542480.db2.gz KYFZQDJRPUWNQC-UHFFFAOYSA-N 1 0 298.408 2.417 20 5 CEBDRO CC[S@@](=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873048558 649542916 /nfs/dbraw/zinc/54/29/16/649542916.db2.gz DNXHGUPEUIBRRV-LJQANCHMSA-N 1 0 284.381 2.070 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000873057735 649546288 /nfs/dbraw/zinc/54/62/88/649546288.db2.gz ZGLCPMUGZDMYJM-DGCLKSJQSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)CCF ZINC000873133286 649565720 /nfs/dbraw/zinc/56/57/20/649565720.db2.gz OZMMVMIDIMBHIR-NSHDSACASA-N 1 0 270.304 2.022 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879570015 651323556 /nfs/dbraw/zinc/32/35/56/651323556.db2.gz DHXJMYOIQFZUPE-BXUZGUMPSA-N 1 0 293.342 2.260 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881907942 651911189 /nfs/dbraw/zinc/91/11/89/651911189.db2.gz IMZDAHWXWZSSLY-UHFFFAOYSA-N 1 0 282.319 2.096 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882057132 651948678 /nfs/dbraw/zinc/94/86/78/651948678.db2.gz OPKIOTCCPUHKJL-NXEZZACHSA-N 1 0 282.319 2.414 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883268875 652419321 /nfs/dbraw/zinc/41/93/21/652419321.db2.gz UYOHRXJKNQSYAS-CYBMUJFWSA-N 1 0 290.319 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH3+])C2)c1C ZINC000884017117 652631873 /nfs/dbraw/zinc/63/18/73/652631873.db2.gz NHDCWHLNSAUNFE-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134134956 652777909 /nfs/dbraw/zinc/77/79/09/652777909.db2.gz XKMWWYDTBRTBHI-AWEZNQCLSA-N 1 0 280.324 2.416 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763602 805725484 /nfs/dbraw/zinc/72/54/84/805725484.db2.gz XHQVTSQNHKWPAM-CYBMUJFWSA-N 1 0 250.298 2.456 20 5 CEBDRO Cc1ccc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222495 805883472 /nfs/dbraw/zinc/88/34/72/805883472.db2.gz PGLMIYVDNPJFGK-NSHDSACASA-N 1 0 265.313 2.160 20 5 CEBDRO CC(=O)Nc1ccc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168185779 806386014 /nfs/dbraw/zinc/38/60/14/806386014.db2.gz LZEPNOHZPBWOOF-UHFFFAOYSA-N 1 0 292.339 2.107 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001168226377 806421450 /nfs/dbraw/zinc/42/14/50/806421450.db2.gz GTZHQBGTVIWUAE-KOLCDFICSA-N 1 0 273.695 2.360 20 5 CEBDRO C[C@H](CCNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000697869380 806719136 /nfs/dbraw/zinc/71/91/36/806719136.db2.gz GDTZJDPLFBOCCC-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCN1CCC1 ZINC000697921032 806759719 /nfs/dbraw/zinc/75/97/19/806759719.db2.gz SCZNSBDFXWYLNW-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000159874921 806842258 /nfs/dbraw/zinc/84/22/58/806842258.db2.gz PHBWZPIGKZTSBY-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO COc1ccc(OC[C@H](C)OCC[N+](C)(C)C)cc1 ZINC001224773237 806949799 /nfs/dbraw/zinc/94/97/99/806949799.db2.gz GOMSMMWETMOIHH-ZDUSSCGKSA-N 1 0 268.377 2.185 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC(C)(C)[NH3+])c1 ZINC000705987286 802610476 /nfs/dbraw/zinc/61/04/76/802610476.db2.gz IRWAFORRLCDOTF-UHFFFAOYSA-N 1 0 297.380 2.174 20 5 CEBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2c2ccccc21 ZINC001170790010 813361662 /nfs/dbraw/zinc/36/16/62/813361662.db2.gz TWXKNHGKFOTWHU-YVEFUNNKSA-N 1 0 293.370 2.380 20 5 CEBDRO CCC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001267320553 803364502 /nfs/dbraw/zinc/36/45/02/803364502.db2.gz NXOWTHQXPQQUOB-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000712593777 814755013 /nfs/dbraw/zinc/75/50/13/814755013.db2.gz IRFMMHIFSOMSIT-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO C[NH2+]CCNc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001167726303 803681969 /nfs/dbraw/zinc/68/19/69/803681969.db2.gz AZFXDSZEGQXMQF-UHFFFAOYSA-N 1 0 267.329 2.322 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225667454 805111735 /nfs/dbraw/zinc/11/17/35/805111735.db2.gz SFMQZCZWNJQIQI-VIFPVBQESA-N 1 0 257.285 2.207 20 5 CEBDRO CSC[C@@H](CCO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001119028848 815064321 /nfs/dbraw/zinc/06/43/21/815064321.db2.gz QZZOQXCSZLKUJR-GFCCVEGCSA-N 1 0 298.408 2.415 20 5 CEBDRO [NH3+]CCc1cn(-c2cccnc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167983092 805519188 /nfs/dbraw/zinc/51/91/88/805519188.db2.gz POBAYESPRATYFA-UHFFFAOYSA-N 1 0 298.302 2.141 20 5 CEBDRO CC(C)(C)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000340156863 805564615 /nfs/dbraw/zinc/56/46/15/805564615.db2.gz PBSWYDFHHJGGET-UHFFFAOYSA-N 1 0 278.356 2.087 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698568436 807247335 /nfs/dbraw/zinc/24/73/35/807247335.db2.gz GLQFBQVLVZLTFG-GFCCVEGCSA-N 1 0 274.267 2.009 20 5 CEBDRO COc1nc(C)c(NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001168767739 807402813 /nfs/dbraw/zinc/40/28/13/807402813.db2.gz INCXQZNWWJQKPG-UHFFFAOYSA-N 1 0 296.371 2.307 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716858968 815147811 /nfs/dbraw/zinc/14/78/11/815147811.db2.gz ASJUSFNQEWPMIA-WPRPVWTQSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000699831938 807864972 /nfs/dbraw/zinc/86/49/72/807864972.db2.gz AKJXLJCYBVFYNY-GWCFXTLKSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833075 807865383 /nfs/dbraw/zinc/86/53/83/807865383.db2.gz FIZMFOPWNANOGP-NEPJUHHUSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833081 807865475 /nfs/dbraw/zinc/86/54/75/807865475.db2.gz FIZMFOPWNANOGP-RYUDHWBXSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1c(Nc2nccnc2C[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001171450137 815162703 /nfs/dbraw/zinc/16/27/03/815162703.db2.gz OIOUCJHVUGDPPN-UHFFFAOYSA-N 1 0 277.259 2.035 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC001119982581 815182084 /nfs/dbraw/zinc/18/20/84/815182084.db2.gz LRNDHFWGUAFGJT-FRRDWIJNSA-N 1 0 290.367 2.156 20 5 CEBDRO CCC1(Nc2cc(OC)c(C)c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168582028 808667359 /nfs/dbraw/zinc/66/73/59/808667359.db2.gz FLMMDHDUOMOWQB-UHFFFAOYSA-N 1 0 265.313 2.076 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC001120476087 815226636 /nfs/dbraw/zinc/22/66/36/815226636.db2.gz SMOFHAVWPNTBNE-RYUDHWBXSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120522646 815232945 /nfs/dbraw/zinc/23/29/45/815232945.db2.gz AFFHHRBMZAIDDU-CEVLRCNZSA-N 1 0 276.336 2.262 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NCc1ncon1 ZINC001162282850 809275881 /nfs/dbraw/zinc/27/58/81/809275881.db2.gz WZFXJLDCKCALFQ-UHFFFAOYSA-N 1 0 261.349 2.278 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700602376 809331341 /nfs/dbraw/zinc/33/13/41/809331341.db2.gz IIIAEFAYBFMOMQ-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000700625912 809333601 /nfs/dbraw/zinc/33/36/01/809333601.db2.gz KPDBIDKFABHIEG-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1cc(Cl)nc(N[C@H]2C[C@@](C)([NH3+])C2)c1[N+](=O)[O-] ZINC001162327560 809371753 /nfs/dbraw/zinc/37/17/53/809371753.db2.gz AXSBFJTUWQREKT-DGFRNANFSA-N 1 0 270.720 2.243 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701042058 809383163 /nfs/dbraw/zinc/38/31/63/809383163.db2.gz LPBHUNYNCDNXGN-NXEZZACHSA-N 1 0 297.742 2.104 20 5 CEBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC001120883127 815290425 /nfs/dbraw/zinc/29/04/25/815290425.db2.gz BFUMWJAHSHBQFF-CHWSQXEVSA-N 1 0 276.340 2.216 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702039016 809489593 /nfs/dbraw/zinc/48/95/93/809489593.db2.gz MWKARSUVQDKYTG-CYBMUJFWSA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000702050600 809490351 /nfs/dbraw/zinc/49/03/51/809490351.db2.gz PTIRGRUQKXLWMR-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702051222 809490494 /nfs/dbraw/zinc/49/04/94/809490494.db2.gz UKSNNIXDRNZLRO-UHFFFAOYSA-N 1 0 285.731 2.105 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000702048340 809490731 /nfs/dbraw/zinc/49/07/31/809490731.db2.gz GQLQZSPHPAWMJX-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702049956 809490920 /nfs/dbraw/zinc/49/09/20/809490920.db2.gz NEZWSFOOGWUPPY-QWRGUYRKSA-N 1 0 297.742 2.104 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000702066242 809492035 /nfs/dbraw/zinc/49/20/35/809492035.db2.gz QRIGXZBLYRBBTP-KWQFWETISA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000704796007 809753193 /nfs/dbraw/zinc/75/31/93/809753193.db2.gz HJADMKWHLFDJIW-BXUZGUMPSA-N 1 0 296.392 2.361 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]1(C)CO ZINC000694693890 809854895 /nfs/dbraw/zinc/85/48/95/809854895.db2.gz MPFWFOMTQVLMLV-IINYFYTJSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710127091 809981878 /nfs/dbraw/zinc/98/18/78/809981878.db2.gz OBMCSTPBRKUFDB-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164062194 810273384 /nfs/dbraw/zinc/27/33/84/810273384.db2.gz JTRKBWJYHKTFHR-DTWKUNHWSA-N 1 0 284.747 2.207 20 5 CEBDRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168976215 811304698 /nfs/dbraw/zinc/30/46/98/811304698.db2.gz ZQHDMDOLQUDGGA-YPMHNXCESA-N 1 0 279.340 2.015 20 5 CEBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977164 811307372 /nfs/dbraw/zinc/30/73/72/811307372.db2.gz IMVZTQZZXLEVDL-FRRDWIJNSA-N 1 0 272.389 2.351 20 5 CEBDRO CC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168984331 811311459 /nfs/dbraw/zinc/31/14/59/811311459.db2.gz MANOSVSZHNHOFB-ZFWWWQNUSA-N 1 0 276.336 2.424 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1 ZINC001168959036 811313561 /nfs/dbraw/zinc/31/35/61/811313561.db2.gz SMPNZGXXQYLGKM-WCQYABFASA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001168959359 811313790 /nfs/dbraw/zinc/31/37/90/811313790.db2.gz VEPNASMZMGTFJE-MNOVXSKESA-N 1 0 270.279 2.500 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc(OC)c1 ZINC001168959035 811314805 /nfs/dbraw/zinc/31/48/05/811314805.db2.gz SMPNZGXXQYLGKM-DGCLKSJQSA-N 1 0 294.351 2.239 20 5 CEBDRO CCCN(CCC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965638 811317574 /nfs/dbraw/zinc/31/75/74/811317574.db2.gz BKUCHYGECGZKDT-KGLIPLIRSA-N 1 0 271.405 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001168966078 811317944 /nfs/dbraw/zinc/31/79/44/811317944.db2.gz GBSUPVLGUBRFEF-OLZOCXBDSA-N 1 0 270.373 2.107 20 5 CEBDRO CN(C)c1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967544 811319215 /nfs/dbraw/zinc/31/92/15/811319215.db2.gz QJWIJNBUMFXYOM-LSDHHAIUSA-N 1 0 291.395 2.330 20 5 CEBDRO COc1cccc(OCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168968524 811320023 /nfs/dbraw/zinc/32/00/23/811320023.db2.gz ZVLGULOJZTYLAU-OLZOCXBDSA-N 1 0 294.351 2.109 20 5 CEBDRO COCc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991967 811325960 /nfs/dbraw/zinc/32/59/60/811325960.db2.gz IOGSKWDIJKPMCA-HIFRSBDPSA-N 1 0 278.352 2.368 20 5 CEBDRO Cn1ncc2c1cccc2C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002016 811328274 /nfs/dbraw/zinc/32/82/74/811328274.db2.gz JDGWTHBUAGAFQD-YPMHNXCESA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3nccnc23)C1 ZINC001169005840 811331232 /nfs/dbraw/zinc/33/12/32/811331232.db2.gz UZWLLYGVEXVAFJ-AAEUAGOBSA-N 1 0 286.335 2.165 20 5 CEBDRO C[N@H+](CCc1ccccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007106 811333286 /nfs/dbraw/zinc/33/32/86/811333286.db2.gz LCCUPBZZMYVLJC-JSGCOSHPSA-N 1 0 263.341 2.001 20 5 CEBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988940 811337317 /nfs/dbraw/zinc/33/73/17/811337317.db2.gz VDNVHZSEFFZJEY-WCQYABFASA-N 1 0 296.342 2.412 20 5 CEBDRO COC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987940 811337609 /nfs/dbraw/zinc/33/76/09/811337609.db2.gz LNKLZDVFAWEISJ-SNPRPXQTSA-N 1 0 278.352 2.409 20 5 CEBDRO [NH3+]C1(CC2CCC2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990867 811340260 /nfs/dbraw/zinc/34/02/60/811340260.db2.gz FDJZSWQTODMKAA-GJZGRUSLSA-N 1 0 295.427 2.415 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ncccn3)CC2)C1 ZINC001169033641 811345808 /nfs/dbraw/zinc/34/58/08/811345808.db2.gz CUVOGSAEDFVMSR-JSGCOSHPSA-N 1 0 290.367 2.101 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034184 811346385 /nfs/dbraw/zinc/34/63/85/811346385.db2.gz FVUWYTJMWRNJQB-UPJWGTAASA-N 1 0 298.383 2.095 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC001169039983 811349235 /nfs/dbraw/zinc/34/92/35/811349235.db2.gz WORNROXKXDEUQZ-KGLIPLIRSA-N 1 0 282.384 2.467 20 5 CEBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018866 811352875 /nfs/dbraw/zinc/35/28/75/811352875.db2.gz CUTYZKWYONHNFE-XGUBFFRZSA-N 1 0 282.384 2.180 20 5 CEBDRO C[NH2+]Cc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169025920 811354575 /nfs/dbraw/zinc/35/45/75/811354575.db2.gz JXLXVSVBNIHUEV-TZMCWYRMSA-N 1 0 263.341 2.263 20 5 CEBDRO Cc1ccnn1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046700 811354744 /nfs/dbraw/zinc/35/47/44/811354744.db2.gz MBBQCKHBPFOASA-HIFRSBDPSA-N 1 0 292.383 2.274 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001169045737 811355712 /nfs/dbraw/zinc/35/57/12/811355712.db2.gz JVPCJRGSGLZMDY-BZPMIXESSA-N 1 0 292.383 2.344 20 5 CEBDRO CC1(C)C[C@@H](Nc2nccnc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169135997 811398202 /nfs/dbraw/zinc/39/82/02/811398202.db2.gz DTHOPBMGDPUROQ-QMTHXVAHSA-N 1 0 293.371 2.340 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])n1 ZINC001169232203 811445624 /nfs/dbraw/zinc/44/56/24/811445624.db2.gz ASFWCRGFGWNNBI-ZCFIWIBFSA-N 1 0 268.223 2.078 20 5 CEBDRO COc1ccc(NC(C)(C)CC[NH+](C)C)nc1[N+](=O)[O-] ZINC001169711886 811639084 /nfs/dbraw/zinc/63/90/84/811639084.db2.gz SDRVCNPVWLUZMJ-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cccc2C[NH3+])n1 ZINC001156723729 811892570 /nfs/dbraw/zinc/89/25/70/811892570.db2.gz DGRATYILONCVSJ-UHFFFAOYSA-N 1 0 266.688 2.201 20 5 CEBDRO CC1(Nc2cnc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]CC1 ZINC001157397143 812133931 /nfs/dbraw/zinc/13/39/31/812133931.db2.gz NVQDZHXCHLXNBK-UHFFFAOYSA-N 1 0 287.323 2.092 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001170297036 812377110 /nfs/dbraw/zinc/37/71/10/812377110.db2.gz KHZVFAFQCBCGGG-AAEUAGOBSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccno2)c([N+](=O)[O-])c1 ZINC001170298950 812377238 /nfs/dbraw/zinc/37/72/38/812377238.db2.gz OOINQSICXLBFJZ-JTQLQIEISA-N 1 0 291.307 2.312 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CSC1 ZINC001254538205 812476946 /nfs/dbraw/zinc/47/69/46/812476946.db2.gz RIGHWVJZNUSDLD-JTQLQIEISA-N 1 0 266.366 2.478 20 5 CEBDRO CC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900026 815539488 /nfs/dbraw/zinc/53/94/88/815539488.db2.gz RJVAMXMFSGBARV-ZDUSSCGKSA-N 1 0 262.309 2.021 20 5 CEBDRO C[C@]1(O)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172905352 815540547 /nfs/dbraw/zinc/54/05/47/815540547.db2.gz RMHDMSMFKRNQOK-ZBFHGGJFSA-N 1 0 290.363 2.299 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902267 815540594 /nfs/dbraw/zinc/54/05/94/815540594.db2.gz WSLZCUUCGRBDPF-BXUZGUMPSA-N 1 0 278.352 2.060 20 5 CEBDRO C[C@]1(O)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172905351 815541142 /nfs/dbraw/zinc/54/11/42/815541142.db2.gz RMHDMSMFKRNQOK-HOCLYGCPSA-N 1 0 290.363 2.299 20 5 CEBDRO Cc1cc(Cl)nc(-n2ccc([C@H](C)[NH3+])n2)c1[N+](=O)[O-] ZINC001158349667 812669219 /nfs/dbraw/zinc/66/92/19/812669219.db2.gz VCDNIFSJOUAFDH-ZETCQYMHSA-N 1 0 281.703 2.157 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170865702 813565815 /nfs/dbraw/zinc/56/58/15/813565815.db2.gz PTSUTTWGAJEWGG-JTQLQIEISA-N 1 0 293.245 2.083 20 5 CEBDRO Cc1cc(Cl)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001160025100 813721389 /nfs/dbraw/zinc/72/13/89/813721389.db2.gz JCSDSOQSSRLGJL-UHFFFAOYSA-N 1 0 258.709 2.101 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001116711233 814877258 /nfs/dbraw/zinc/87/72/58/814877258.db2.gz XQQNBWYMCGFSTI-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc(CN(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000714020178 814882394 /nfs/dbraw/zinc/88/23/94/814882394.db2.gz VYGCDFYMCWQTQJ-LLVKDONJSA-N 1 0 291.273 2.225 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000714028693 814882850 /nfs/dbraw/zinc/88/28/50/814882850.db2.gz HSZTZVVOATXZPP-NSHDSACASA-N 1 0 266.341 2.494 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1NCC[NH+](C(C)C)C(C)C ZINC001117226673 814907521 /nfs/dbraw/zinc/90/75/21/814907521.db2.gz WPEPZELHXRSJOK-UHFFFAOYSA-N 1 0 280.372 2.251 20 5 CEBDRO CCC1([NH3+])CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000714756184 814914154 /nfs/dbraw/zinc/91/41/54/814914154.db2.gz AYSCAOSTAIASGL-UHFFFAOYSA-N 1 0 269.370 2.360 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC001173224824 815629161 /nfs/dbraw/zinc/62/91/61/815629161.db2.gz HBSBATUUNXUTPL-WOSRLPQWSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nccn1C ZINC001173228962 815631262 /nfs/dbraw/zinc/63/12/62/815631262.db2.gz OQQJYLATOMDRHQ-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC001173233490 815632623 /nfs/dbraw/zinc/63/26/23/815632623.db2.gz JHXIUIXCRLYACH-SMDDNHRTSA-N 1 0 294.351 2.267 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnn(C)c1 ZINC001173230566 815632750 /nfs/dbraw/zinc/63/27/50/815632750.db2.gz YYEJOLDXIANAJY-GFCCVEGCSA-N 1 0 288.351 2.391 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234960 815634440 /nfs/dbraw/zinc/63/44/40/815634440.db2.gz RHZOASRQNSKJSK-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1O ZINC001173211273 815635239 /nfs/dbraw/zinc/63/52/39/815635239.db2.gz RFBRLYNSGMZJGS-ZLKJLUDKSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])c1 ZINC001173209349 815635386 /nfs/dbraw/zinc/63/53/86/815635386.db2.gz BONQVHQUPCWZBZ-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO C[NH+]1CC(C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001142599014 816692538 /nfs/dbraw/zinc/69/25/38/816692538.db2.gz LBIZYDZHCAGQNP-UHFFFAOYSA-N 1 0 292.342 2.283 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601271853 346808680 /nfs/dbraw/zinc/80/86/80/346808680.db2.gz VYAIONGCOSYSAV-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000127667344 187324389 /nfs/dbraw/zinc/32/43/89/187324389.db2.gz NGXWCBVPAKEORJ-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000127670516 187324529 /nfs/dbraw/zinc/32/45/29/187324529.db2.gz DHFCEXCTNHXOSC-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000449122400 282108462 /nfs/dbraw/zinc/10/84/62/282108462.db2.gz LGFGKPFSNXHIPP-AAEUAGOBSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033299962 361775797 /nfs/dbraw/zinc/77/57/97/361775797.db2.gz SLNGTTMFTBPUNW-ALCCZGGFSA-N 1 0 275.352 2.246 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000079769436 343990050 /nfs/dbraw/zinc/99/00/50/343990050.db2.gz AAOFJNZSVVKOBV-CQSZACIVSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000449131014 282111897 /nfs/dbraw/zinc/11/18/97/282111897.db2.gz JOCYCGBFVMUMIF-TZMCWYRMSA-N 1 0 289.379 2.352 20 5 CEBDRO Cc1nc(NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000125336321 187180268 /nfs/dbraw/zinc/18/02/68/187180268.db2.gz VKZLAKGHISDYTB-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000449220189 282146656 /nfs/dbraw/zinc/14/66/56/282146656.db2.gz GHEBANVWRHCRGL-SGMGOOAPSA-N 1 0 276.336 2.052 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037621363 361913973 /nfs/dbraw/zinc/91/39/73/361913973.db2.gz CMNIGMWXYDIWBK-CYBMUJFWSA-N 1 0 265.313 2.359 20 5 CEBDRO [NH3+]CCCCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668481 361920894 /nfs/dbraw/zinc/92/08/94/361920894.db2.gz QCTYIACQFQFJBL-UHFFFAOYSA-N 1 0 279.340 2.120 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000725270122 539215141 /nfs/dbraw/zinc/21/51/41/539215141.db2.gz XTRIRKDTVKOOAI-KGLIPLIRSA-N 1 0 262.309 2.109 20 5 CEBDRO O=[N+]([O-])c1cnccc1NCCCCC[NH+]1CCCC1 ZINC000338757952 214756190 /nfs/dbraw/zinc/75/61/90/214756190.db2.gz RHBPNJUQGYNUMC-UHFFFAOYSA-N 1 0 278.356 2.090 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000192562000 529602017 /nfs/dbraw/zinc/60/20/17/529602017.db2.gz KFGLZIYCPIAYFP-SECBINFHSA-N 1 0 281.360 2.014 20 5 CEBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493513 282257381 /nfs/dbraw/zinc/25/73/81/282257381.db2.gz DZWXRSDMCNWCNS-SMDDNHRTSA-N 1 0 294.351 2.460 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCn2ccnc2)c1 ZINC000044353212 343470249 /nfs/dbraw/zinc/47/02/49/343470249.db2.gz SLMAIINFYBCAOY-UHFFFAOYSA-N 1 0 274.324 2.361 20 5 CEBDRO CC(C)C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000049968862 343539801 /nfs/dbraw/zinc/53/98/01/343539801.db2.gz ONAGHWVFYUQUJO-UHFFFAOYSA-N 1 0 277.368 2.368 20 5 CEBDRO COc1ccc(C[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000051155189 343548604 /nfs/dbraw/zinc/54/86/04/343548604.db2.gz RPDIIOXROPQIQD-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1cccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000046408460 343498726 /nfs/dbraw/zinc/49/87/26/343498726.db2.gz IZWCTWDIYLBQNP-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@@H](C)O ZINC000449543721 282277964 /nfs/dbraw/zinc/27/79/64/282277964.db2.gz OTCLNRAJSNYSMO-MFKMUULPSA-N 1 0 282.340 2.243 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000052103360 343556356 /nfs/dbraw/zinc/55/63/56/343556356.db2.gz BLISICKUWMENRR-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415757356 529730613 /nfs/dbraw/zinc/73/06/13/529730613.db2.gz GGJMSJUXZGYGAG-VIFPVBQESA-N 1 0 280.328 2.016 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000057714283 343636707 /nfs/dbraw/zinc/63/67/07/343636707.db2.gz LIYWDHVGIVONEZ-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449565774 282286017 /nfs/dbraw/zinc/28/60/17/282286017.db2.gz LGHBECHTCDWTTJ-VIFPVBQESA-N 1 0 299.758 2.034 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000066140377 343708175 /nfs/dbraw/zinc/70/81/75/343708175.db2.gz SVENDEXYLWBICP-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068910859 343777008 /nfs/dbraw/zinc/77/70/08/343777008.db2.gz LUIFXDUXALJXOQ-GFCCVEGCSA-N 1 0 297.330 2.257 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000068911112 343777124 /nfs/dbraw/zinc/77/71/24/343777124.db2.gz IOHMGXYYLLYORM-GFCCVEGCSA-N 1 0 297.330 2.257 20 5 CEBDRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602073661 346968752 /nfs/dbraw/zinc/96/87/52/346968752.db2.gz POPFBYBLPQRIHB-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccco1 ZINC000072521978 343804742 /nfs/dbraw/zinc/80/47/42/343804742.db2.gz UKZBFAKEHGSATI-NSHDSACASA-N 1 0 276.296 2.298 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)C1 ZINC000075617092 343859471 /nfs/dbraw/zinc/85/94/71/343859471.db2.gz LTYWIZHASTUFCP-MNOVXSKESA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000449649659 282318626 /nfs/dbraw/zinc/31/86/26/282318626.db2.gz SFADTMHUDBOOQY-AAEUAGOBSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000078992524 343969228 /nfs/dbraw/zinc/96/92/28/343969228.db2.gz IENOFIFJXIOWSW-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449652870 282319916 /nfs/dbraw/zinc/31/99/16/282319916.db2.gz YRIXICZPLAYCQX-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000048753670 362301888 /nfs/dbraw/zinc/30/18/88/362301888.db2.gz ALJVRNIZJPDIMY-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000089929704 344131416 /nfs/dbraw/zinc/13/14/16/344131416.db2.gz ZFMZIKBIHGLCRX-QWRGUYRKSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@@H]1CCCC[C@@H]1O)C2 ZINC000089940919 344133066 /nfs/dbraw/zinc/13/30/66/344133066.db2.gz PUXJAYLLJSKIIY-CABCVRRESA-N 1 0 276.336 2.256 20 5 CEBDRO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602445980 347035514 /nfs/dbraw/zinc/03/55/14/347035514.db2.gz YIDVARXWMLKGOO-UHFFFAOYSA-N 1 0 254.334 2.196 20 5 CEBDRO CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439846 347033986 /nfs/dbraw/zinc/03/39/86/347033986.db2.gz LQEHKHMFWGTTJU-UHFFFAOYSA-N 1 0 288.351 2.393 20 5 CEBDRO CCOc1cc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000117092495 344288118 /nfs/dbraw/zinc/28/81/18/344288118.db2.gz OXFZOAKKIJCYMB-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449706810 282336542 /nfs/dbraw/zinc/33/65/42/282336542.db2.gz OJXABOIZTZEMMC-BXUZGUMPSA-N 1 0 294.351 2.244 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1OCCC1CC[NH2+]CC1 ZINC000134493772 344374736 /nfs/dbraw/zinc/37/47/36/344374736.db2.gz LZKWGFUZJSHBEB-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000137114068 344386983 /nfs/dbraw/zinc/38/69/83/344386983.db2.gz UMDGIDUMAXZCFP-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161460478 344464268 /nfs/dbraw/zinc/46/42/68/344464268.db2.gz RDXKUKRXXDNHEO-MNOVXSKESA-N 1 0 297.742 2.248 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])n1 ZINC000602477814 347051014 /nfs/dbraw/zinc/05/10/14/347051014.db2.gz UTHAVSXIUKZHBT-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO CCSCC[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481535 347054010 /nfs/dbraw/zinc/05/40/10/347054010.db2.gz FXNINLXYKIGLMZ-JTQLQIEISA-N 1 0 286.401 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)s1 ZINC000225424051 344545288 /nfs/dbraw/zinc/54/52/88/344545288.db2.gz ZYKDIRBNKHTASL-ZCFIWIBFSA-N 1 0 266.282 2.131 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000050163128 362406958 /nfs/dbraw/zinc/40/69/58/362406958.db2.gz UFBSFBYAZIWOPD-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000227751629 344556427 /nfs/dbraw/zinc/55/64/27/344556427.db2.gz QOHTWXZAHRIEMP-DZGCQCFKSA-N 1 0 278.352 2.278 20 5 CEBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602484399 347055083 /nfs/dbraw/zinc/05/50/83/347055083.db2.gz OOMWDWFASNHTBO-NEPJUHHUSA-N 1 0 298.412 2.434 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734299 282346244 /nfs/dbraw/zinc/34/62/44/282346244.db2.gz BFLHCKQCGJVPCI-CORIIIEPSA-N 1 0 278.352 2.276 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252894588 344642249 /nfs/dbraw/zinc/64/22/49/344642249.db2.gz WFMRGCBSYIUBEJ-MNOVXSKESA-N 1 0 262.313 2.029 20 5 CEBDRO Cc1c(Cn2cc([C@@H]([NH3+])C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000313466009 344742431 /nfs/dbraw/zinc/74/24/31/344742431.db2.gz XNEPNELPOQLMOC-AWEZNQCLSA-N 1 0 289.339 2.199 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000313874266 344743951 /nfs/dbraw/zinc/74/39/51/344743951.db2.gz MELGLFLUMCFWCS-TZMCWYRMSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1[N+](=O)[O-] ZINC000314363758 344745021 /nfs/dbraw/zinc/74/50/21/344745021.db2.gz QFGJYOHRUPLKTN-TXEJJXNPSA-N 1 0 293.342 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000315888729 344748245 /nfs/dbraw/zinc/74/82/45/344748245.db2.gz BGEWMGPVCNWAAO-SNVBAGLBSA-N 1 0 299.334 2.187 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449750815 282353702 /nfs/dbraw/zinc/35/37/02/282353702.db2.gz WSJIUOSUKFCSBA-TXEJJXNPSA-N 1 0 264.325 2.331 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302581416 344703904 /nfs/dbraw/zinc/70/39/04/344703904.db2.gz RRBVTYOZRSERNJ-QMMMGPOBSA-N 1 0 270.720 2.007 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602543029 347070917 /nfs/dbraw/zinc/07/09/17/347070917.db2.gz FJAPBIBRHSXOKI-NWDGAFQWSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561106 347077828 /nfs/dbraw/zinc/07/78/28/347077828.db2.gz COTLNPMAUNZUOS-WCQYABFASA-N 1 0 291.351 2.223 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000602555990 347075403 /nfs/dbraw/zinc/07/54/03/347075403.db2.gz SKALBZROXGGURH-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCSC3)nc2c1 ZINC000602563830 347079495 /nfs/dbraw/zinc/07/94/95/347079495.db2.gz PAJGRXXKRZECMN-MRVPVSSYSA-N 1 0 279.321 2.331 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000401188964 344867273 /nfs/dbraw/zinc/86/72/73/344867273.db2.gz PGCNBLPODJQZPG-MNOVXSKESA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266881 344872351 /nfs/dbraw/zinc/87/23/51/344872351.db2.gz IKRZJYKFIDMAOE-PSASIEDQSA-N 1 0 254.261 2.001 20 5 CEBDRO Cc1c(C[N@H+](CCCO)C2CC2)cccc1[N+](=O)[O-] ZINC000404226129 344878580 /nfs/dbraw/zinc/87/85/80/344878580.db2.gz ASVFEQVJBUWTIZ-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccns1 ZINC000404274005 344879158 /nfs/dbraw/zinc/87/91/58/344879158.db2.gz MMPBPTHLINZLFN-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000351623387 219149449 /nfs/dbraw/zinc/14/94/49/219149449.db2.gz IBTBVGHCWFFDGD-RYWCDNDXSA-N 1 0 290.319 2.103 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000586775576 345020023 /nfs/dbraw/zinc/02/00/23/345020023.db2.gz GKBNBIJOHLEMHX-OTVXOJSOSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@H](CF)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207909 345072176 /nfs/dbraw/zinc/07/21/76/345072176.db2.gz ZIRCTCYIEBKFLE-NXEZZACHSA-N 1 0 283.303 2.260 20 5 CEBDRO CCC[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055902721 362555417 /nfs/dbraw/zinc/55/54/17/362555417.db2.gz FBHLEFUVBNRFIL-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282894 345237338 /nfs/dbraw/zinc/23/73/38/345237338.db2.gz XOGRTCWQLUQGNZ-ZDUSSCGKSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000591442880 345256349 /nfs/dbraw/zinc/25/63/49/345256349.db2.gz FQVXRJKADHXJAX-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000591435534 345253042 /nfs/dbraw/zinc/25/30/42/345253042.db2.gz GETCZPCYFLVLSD-TXEJJXNPSA-N 1 0 261.325 2.234 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591438183 345254281 /nfs/dbraw/zinc/25/42/81/345254281.db2.gz MPKYNICSMDFLRG-JQWIXIFHSA-N 1 0 279.315 2.231 20 5 CEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000591642158 345271924 /nfs/dbraw/zinc/27/19/24/345271924.db2.gz YYEXSTHXHRNGPJ-SECBINFHSA-N 1 0 288.250 2.075 20 5 CEBDRO CC(C)([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592233755 345339752 /nfs/dbraw/zinc/33/97/52/345339752.db2.gz AICRLFDBABNRAT-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO CC1([NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000592431639 345352686 /nfs/dbraw/zinc/35/26/86/345352686.db2.gz UOODUKKBJXQLOM-XQRVVYSFSA-N 1 0 275.352 2.421 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592437172 345353306 /nfs/dbraw/zinc/35/33/06/345353306.db2.gz BHSVFUNTPFNTAR-BDAKNGLRSA-N 1 0 271.748 2.464 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000592516956 345363957 /nfs/dbraw/zinc/36/39/57/345363957.db2.gz KNUQHARXKQNRST-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593068809 345433079 /nfs/dbraw/zinc/43/30/79/345433079.db2.gz PJIATGFDRAFEPM-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000593229918 345455911 /nfs/dbraw/zinc/45/59/11/345455911.db2.gz RNBPQBFQJNGOTJ-ABAIWWIYSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(CO)CCC2)cs1 ZINC000593693271 345522620 /nfs/dbraw/zinc/52/26/20/345522620.db2.gz KFMHIGJJBJEKBM-UHFFFAOYSA-N 1 0 270.354 2.299 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)CCO ZINC000593694739 345523400 /nfs/dbraw/zinc/52/34/00/345523400.db2.gz RBTGXXJYXGXGSQ-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc(C(=O)NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593919474 345552550 /nfs/dbraw/zinc/55/25/50/345552550.db2.gz SQFWNPWWFKSOCL-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000594057051 345576044 /nfs/dbraw/zinc/57/60/44/345576044.db2.gz YLMNEATUFYVIPF-GSJFWJNXSA-N 1 0 292.339 2.057 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCOCC1 ZINC000594502000 345638863 /nfs/dbraw/zinc/63/88/63/345638863.db2.gz AQBAQZRFODPORW-ZDUSSCGKSA-N 1 0 262.309 2.351 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594516185 345642442 /nfs/dbraw/zinc/64/24/42/345642442.db2.gz UPTBCNFXQCLMMA-UHFFFAOYSA-N 1 0 280.324 2.120 20 5 CEBDRO Cc1nn(C)c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594600473 345656885 /nfs/dbraw/zinc/65/68/85/345656885.db2.gz LJVGODVRDUISFQ-RYUDHWBXSA-N 1 0 293.371 2.066 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)[NH3+] ZINC000594736062 345682136 /nfs/dbraw/zinc/68/21/36/345682136.db2.gz ONNDVMXGJYTJNM-UHFFFAOYSA-N 1 0 271.748 2.417 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C/C=C/CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071653 345739241 /nfs/dbraw/zinc/73/92/41/345739241.db2.gz PSILMJXAOMJVOP-RDFMZFSFSA-N 1 0 276.336 2.455 20 5 CEBDRO COc1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602580241 347087297 /nfs/dbraw/zinc/08/72/97/347087297.db2.gz LTLZVBRTXLAIID-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)CC2CC2)cs1 ZINC000594985024 345721894 /nfs/dbraw/zinc/72/18/94/345721894.db2.gz YOLQBSVWDLZDHC-JTQLQIEISA-N 1 0 270.354 2.155 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](O)C1 ZINC000595000891 345723733 /nfs/dbraw/zinc/72/37/33/345723733.db2.gz MWHAZHKHZQNIGQ-PCDJXCHMSA-N 1 0 262.309 2.111 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594997059 345724081 /nfs/dbraw/zinc/72/40/81/345724081.db2.gz XPKKNONUVJGBAN-GFCCVEGCSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000595010876 345726086 /nfs/dbraw/zinc/72/60/86/345726086.db2.gz ZNPDQBYWIQBYLE-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000595016079 345727356 /nfs/dbraw/zinc/72/73/56/345727356.db2.gz GZSZTGQNOZDNHB-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCOCC1 ZINC000595017315 345727888 /nfs/dbraw/zinc/72/78/88/345727888.db2.gz MJYVWRKUHWAQNC-JTQLQIEISA-N 1 0 280.324 2.433 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020795 345728829 /nfs/dbraw/zinc/72/88/29/345728829.db2.gz NTDYMVLQEDZGJW-JQWIXIFHSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000595041483 345733301 /nfs/dbraw/zinc/73/33/01/345733301.db2.gz MBFUETFWQWOAAM-UTUOFQBUSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595553601 345811590 /nfs/dbraw/zinc/81/15/90/345811590.db2.gz ZIIZXBGHWMHURF-NRPADANISA-N 1 0 253.302 2.368 20 5 CEBDRO COC[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)OC ZINC000595388052 345772410 /nfs/dbraw/zinc/77/24/10/345772410.db2.gz SYQJZVSRAXZYNX-CQSZACIVSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595413073 345777022 /nfs/dbraw/zinc/77/70/22/345777022.db2.gz VKLQKOPPUMCLLT-SNVBAGLBSA-N 1 0 251.286 2.123 20 5 CEBDRO Cc1noc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595505128 345798566 /nfs/dbraw/zinc/79/85/66/345798566.db2.gz NHOPYOYCFAJJFR-CYBMUJFWSA-N 1 0 297.355 2.168 20 5 CEBDRO C[C@H]1C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595734409 345862645 /nfs/dbraw/zinc/86/26/45/345862645.db2.gz ZNVUNUCWRWZQLT-UWVGGRQHSA-N 1 0 282.315 2.183 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000595738644 345863363 /nfs/dbraw/zinc/86/33/63/345863363.db2.gz XCLKYQFQPKYIPW-GXTWGEPZSA-N 1 0 294.351 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000595738649 345863382 /nfs/dbraw/zinc/86/33/82/345863382.db2.gz XCLKYQFQPKYIPW-TZMCWYRMSA-N 1 0 294.351 2.311 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595829377 345888371 /nfs/dbraw/zinc/88/83/71/345888371.db2.gz HJAQJOHZDGSILA-STQMWFEESA-N 1 0 262.309 2.063 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595759401 345869678 /nfs/dbraw/zinc/86/96/78/345869678.db2.gz PQLSVIRLFNZJEB-DOMZBBRYSA-N 1 0 292.335 2.072 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595764879 345870149 /nfs/dbraw/zinc/87/01/49/345870149.db2.gz FVPUZOIRUZOASE-CHWSQXEVSA-N 1 0 294.351 2.113 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808975 345880798 /nfs/dbraw/zinc/88/07/98/345880798.db2.gz PXEZTOJNCJRQCC-QWRGUYRKSA-N 1 0 262.309 2.445 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595861404 345900353 /nfs/dbraw/zinc/90/03/53/345900353.db2.gz VLMAQBSCARUCLN-IINYFYTJSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595926885 345914312 /nfs/dbraw/zinc/91/43/12/345914312.db2.gz KYLSQJXDCCFXMO-MFKMUULPSA-N 1 0 291.351 2.160 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC(CC[NH3+])CC1 ZINC000596014936 345923295 /nfs/dbraw/zinc/92/32/95/345923295.db2.gz XGVOHLHKBDXOPJ-UHFFFAOYSA-N 1 0 279.340 2.169 20 5 CEBDRO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000596148073 345952205 /nfs/dbraw/zinc/95/22/05/345952205.db2.gz YXNJXJAZOJGDMQ-VIFPVBQESA-N 1 0 282.344 2.084 20 5 CEBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596241454 345978532 /nfs/dbraw/zinc/97/85/32/345978532.db2.gz FNGYIPMTEUPFTF-ZDUSSCGKSA-N 1 0 281.381 2.497 20 5 CEBDRO Cc1cc(N2CC(C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596246106 345979397 /nfs/dbraw/zinc/97/93/97/345979397.db2.gz BITTVJIKOACONY-UHFFFAOYSA-N 1 0 267.304 2.040 20 5 CEBDRO C[C@H](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000596431792 346021875 /nfs/dbraw/zinc/02/18/75/346021875.db2.gz NEPIQQGLHWOXRN-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596431797 346022151 /nfs/dbraw/zinc/02/21/51/346022151.db2.gz NGPHBCBIJJJCJF-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596435027 346023086 /nfs/dbraw/zinc/02/30/86/346023086.db2.gz ZHHAIHIFQXMFIR-LLVKDONJSA-N 1 0 266.345 2.359 20 5 CEBDRO C[C@@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596434663 346023243 /nfs/dbraw/zinc/02/32/43/346023243.db2.gz XWKRQYAYZPIEGM-QMMMGPOBSA-N 1 0 272.736 2.395 20 5 CEBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000596364801 346008183 /nfs/dbraw/zinc/00/81/83/346008183.db2.gz SCOLBWSXETXDLQ-ZDUSSCGKSA-N 1 0 294.399 2.279 20 5 CEBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000596455438 346027877 /nfs/dbraw/zinc/02/78/77/346027877.db2.gz ZIXCTLVMNYHUNN-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000596652822 346072169 /nfs/dbraw/zinc/07/21/69/346072169.db2.gz IKFZRAZGWCENHN-WDEREUQCSA-N 1 0 251.330 2.162 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596821346 346093693 /nfs/dbraw/zinc/09/36/93/346093693.db2.gz TVXWYGXHZJDZGR-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597075989 346124057 /nfs/dbraw/zinc/12/40/57/346124057.db2.gz NSQILFAHHGZTLS-GXTWGEPZSA-N 1 0 262.309 2.252 20 5 CEBDRO CC(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000060847456 362669762 /nfs/dbraw/zinc/66/97/62/362669762.db2.gz GVPAYYJKQBBWQG-UHFFFAOYSA-N 1 0 277.324 2.305 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085362717 179034123 /nfs/dbraw/zinc/03/41/23/179034123.db2.gz PNCNWMPDVDJHRT-VXGBXAGGSA-N 1 0 277.324 2.359 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368279 179038003 /nfs/dbraw/zinc/03/80/03/179038003.db2.gz MKFJQEYKPWGBOV-STQMWFEESA-N 1 0 291.351 2.071 20 5 CEBDRO [NH3+][C@]12CCC[C@@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000598717684 346406882 /nfs/dbraw/zinc/40/68/82/346406882.db2.gz HOIRUVIWAIUHEM-WQDDEOEWSA-N 1 0 287.363 2.421 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCCCC2)c1 ZINC000062351371 362718016 /nfs/dbraw/zinc/71/80/16/362718016.db2.gz JTQMEECZHBGGRC-ZDUSSCGKSA-N 1 0 250.298 2.114 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599015756 346445895 /nfs/dbraw/zinc/44/58/95/346445895.db2.gz OEAOKTGEYGAGRL-AULYBMBSSA-N 1 0 250.298 2.170 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCCF)CC2 ZINC000351729489 219189522 /nfs/dbraw/zinc/18/95/22/219189522.db2.gz GKMYROAXMHUMKH-UHFFFAOYSA-N 1 0 253.277 2.098 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000598995462 346444155 /nfs/dbraw/zinc/44/41/55/346444155.db2.gz YALQUXRACMPNGO-LLVKDONJSA-N 1 0 283.397 2.478 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065966 346454831 /nfs/dbraw/zinc/45/48/31/346454831.db2.gz LULRIDBPZCBDTL-TUKIKUTGSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599082362 346457046 /nfs/dbraw/zinc/45/70/46/346457046.db2.gz PZWXHMABLUHDTE-SDDRHHMPSA-N 1 0 264.325 2.325 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602598373 347093905 /nfs/dbraw/zinc/09/39/05/347093905.db2.gz HWSYAVKHQSNRQN-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180737 346475232 /nfs/dbraw/zinc/47/52/32/346475232.db2.gz PEQJFECFXQFFNQ-WCBMZHEXSA-N 1 0 284.747 2.220 20 5 CEBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000602594735 347092441 /nfs/dbraw/zinc/09/24/41/347092441.db2.gz CQGVTTQVGPLILQ-ZYHUDNBSSA-N 1 0 291.351 2.280 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063191410 362755431 /nfs/dbraw/zinc/75/54/31/362755431.db2.gz YBLUIVUYPWCVCI-AAEUAGOBSA-N 1 0 263.341 2.297 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000602604049 347096682 /nfs/dbraw/zinc/09/66/82/347096682.db2.gz HOTXZZDKVGUALV-JOCQHMNTSA-N 1 0 291.351 2.157 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599594420 346543926 /nfs/dbraw/zinc/54/39/26/346543926.db2.gz LEWIMNSIMICBLQ-CMPLNLGQSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599605436 346545328 /nfs/dbraw/zinc/54/53/28/346545328.db2.gz WCUZKAINVCJWJN-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710059 346675022 /nfs/dbraw/zinc/67/50/22/346675022.db2.gz NSVDVRMSKGNLCU-MDZLAQPJSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810054 365848641 /nfs/dbraw/zinc/84/86/41/365848641.db2.gz GYBXBBFNMOBQCV-TVQRCGJNSA-N 1 0 268.288 2.391 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000600885401 346703710 /nfs/dbraw/zinc/70/37/10/346703710.db2.gz SSXOEQVBGGRHOS-MGCOHNPYSA-N 1 0 265.313 2.285 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000600887695 346704502 /nfs/dbraw/zinc/70/45/02/346704502.db2.gz RKMNXCHBTVINAW-VXGBXAGGSA-N 1 0 291.351 2.182 20 5 CEBDRO Cc1c(CN2CC[NH2+]C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000600714461 346676675 /nfs/dbraw/zinc/67/66/75/346676675.db2.gz MQMLXPBERFBFPT-HNNXBMFYSA-N 1 0 277.368 2.333 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600715441 346676801 /nfs/dbraw/zinc/67/68/01/346676801.db2.gz YMCGFXBUQITJQF-GMXVVIOVSA-N 1 0 293.367 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)cn1 ZINC000600789934 346690551 /nfs/dbraw/zinc/69/05/51/346690551.db2.gz URLGKLWUXJFEBD-CQSZACIVSA-N 1 0 285.303 2.318 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120330 346759447 /nfs/dbraw/zinc/75/94/47/346759447.db2.gz JXZBTPFLJJPQMK-NSHDSACASA-N 1 0 296.346 2.297 20 5 CEBDRO C[C@@]1(O)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125959 346761625 /nfs/dbraw/zinc/76/16/25/346761625.db2.gz STSXPVZSPPZWFW-CQSZACIVSA-N 1 0 273.292 2.104 20 5 CEBDRO O=[N+]([O-])c1sccc1N[C@@H]1CCc2nc[nH]c2C1 ZINC000601166655 346774947 /nfs/dbraw/zinc/77/49/47/346774947.db2.gz RDJKRHVXGIORSX-SSDOTTSWSA-N 1 0 264.310 2.349 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601104596 346753586 /nfs/dbraw/zinc/75/35/86/346753586.db2.gz AZXUXSUTJFFCAD-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000602677583 347138774 /nfs/dbraw/zinc/13/87/74/347138774.db2.gz JBKZWMXBJMPLAI-NEPJUHHUSA-N 1 0 288.294 2.132 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000602682944 347142881 /nfs/dbraw/zinc/14/28/81/347142881.db2.gz VISJYYNRXWEYLX-AOOOYVTPSA-N 1 0 290.241 2.227 20 5 CEBDRO COCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602704272 347159408 /nfs/dbraw/zinc/15/94/08/347159408.db2.gz FKHZULRUHOWGTQ-UHFFFAOYSA-N 1 0 291.307 2.252 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602666312 347132441 /nfs/dbraw/zinc/13/24/41/347132441.db2.gz HCCNNVCQCGBVHK-JTQLQIEISA-N 1 0 279.296 2.251 20 5 CEBDRO CC[C@@]1(C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787156 347198305 /nfs/dbraw/zinc/19/83/05/347198305.db2.gz ITCBFVLNJUHCJI-ZDUSSCGKSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000602801896 347204916 /nfs/dbraw/zinc/20/49/16/347204916.db2.gz VPGJZMSVKKRBGO-GHMZBOCLSA-N 1 0 266.345 2.078 20 5 CEBDRO CC(C)C([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602805964 347206811 /nfs/dbraw/zinc/20/68/11/347206811.db2.gz QFKHDXCRBVQDFV-UHFFFAOYSA-N 1 0 254.334 2.099 20 5 CEBDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602806461 347207579 /nfs/dbraw/zinc/20/75/79/347207579.db2.gz UCTBSXOFXSEUIC-NSHDSACASA-N 1 0 262.313 2.048 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810783 347209201 /nfs/dbraw/zinc/20/92/01/347209201.db2.gz JCRMVAHKEQNNEQ-JFGNBEQYSA-N 1 0 266.345 2.243 20 5 CEBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819980 347212968 /nfs/dbraw/zinc/21/29/68/347212968.db2.gz VYWUIWQBXZBHLQ-CQSZACIVSA-N 1 0 296.371 2.109 20 5 CEBDRO C/C=C/C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724954 347172355 /nfs/dbraw/zinc/17/23/55/347172355.db2.gz OZYDHPGEUBXAFE-NSCUHMNNSA-N 1 0 276.340 2.124 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000602740019 347181375 /nfs/dbraw/zinc/18/13/75/347181375.db2.gz QAOSUFHEENVYLQ-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000602837792 347218988 /nfs/dbraw/zinc/21/89/88/347218988.db2.gz CMJCCQWCYLMECA-WXRRBKDZSA-N 1 0 278.356 2.268 20 5 CEBDRO CSC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602839377 347220204 /nfs/dbraw/zinc/22/02/04/347220204.db2.gz ILYGMNOHTJSKMD-GFCCVEGCSA-N 1 0 298.412 2.175 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000128467963 187372560 /nfs/dbraw/zinc/37/25/60/187372560.db2.gz PKTKOLDYHASSOM-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000602989885 347268687 /nfs/dbraw/zinc/26/86/87/347268687.db2.gz AXKQNZZQEJTKFK-QMTHXVAHSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000086014608 179215210 /nfs/dbraw/zinc/21/52/10/179215210.db2.gz QPQRFCZMFYDDBN-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206307 347308996 /nfs/dbraw/zinc/30/89/96/347308996.db2.gz QKOYTWMPIKWMEZ-SECBINFHSA-N 1 0 281.341 2.096 20 5 CEBDRO COCc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)no1 ZINC000297773303 232666036 /nfs/dbraw/zinc/66/60/36/232666036.db2.gz VSCKOITYXLYZDL-UHFFFAOYSA-N 1 0 291.307 2.062 20 5 CEBDRO CCC(CC)(CC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000086229897 179254458 /nfs/dbraw/zinc/25/44/58/179254458.db2.gz KCEQMYYCCFBYJL-UHFFFAOYSA-N 1 0 254.334 2.350 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450307925 282548956 /nfs/dbraw/zinc/54/89/56/282548956.db2.gz IKXDUQMRQXYJDW-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO CC[NH+]1CCN([C@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514954 347688055 /nfs/dbraw/zinc/68/80/55/347688055.db2.gz UXTHVNCXULPRQN-LLVKDONJSA-N 1 0 298.412 2.094 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CC)CC1 ZINC000336840114 365912487 /nfs/dbraw/zinc/91/24/87/365912487.db2.gz PNAZXAYHSIFJHQ-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000610754967 347711562 /nfs/dbraw/zinc/71/15/62/347711562.db2.gz SYAMOJMKFDIDCY-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO CCn1cnnc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611336012 347767703 /nfs/dbraw/zinc/76/77/03/347767703.db2.gz MGTPFEBOCWWNJJ-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000611218307 347752533 /nfs/dbraw/zinc/75/25/33/347752533.db2.gz OUMPBZNAHBSKQF-NSHDSACASA-N 1 0 291.351 2.036 20 5 CEBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611479893 347783715 /nfs/dbraw/zinc/78/37/15/347783715.db2.gz SSHMBCMMZFPJBF-HNNXBMFYSA-N 1 0 296.367 2.205 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(C)(C)O ZINC000612580044 347903884 /nfs/dbraw/zinc/90/38/84/347903884.db2.gz BGHKYYDHZAFUOX-JTQLQIEISA-N 1 0 252.314 2.152 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450361821 282572500 /nfs/dbraw/zinc/57/25/00/282572500.db2.gz OZMQIQZSOWPVCP-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000351896929 219240896 /nfs/dbraw/zinc/24/08/96/219240896.db2.gz ZIAIXMLWFZXEHH-UHFFFAOYSA-N 1 0 284.337 2.089 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000613776707 348099993 /nfs/dbraw/zinc/09/99/93/348099993.db2.gz ORINODZFZYSSIN-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351914659 219246232 /nfs/dbraw/zinc/24/62/32/219246232.db2.gz BQKFSSQCJZVBRP-UHFFFAOYSA-N 1 0 296.298 2.167 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3CCO)nc2c1 ZINC000614597254 348220381 /nfs/dbraw/zinc/22/03/81/348220381.db2.gz FLJYGCJQWFSVGH-JTQLQIEISA-N 1 0 291.307 2.083 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCC1 ZINC000450406005 282594767 /nfs/dbraw/zinc/59/47/67/282594767.db2.gz PHIWPVYUVNGQET-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000088060277 179543168 /nfs/dbraw/zinc/54/31/68/179543168.db2.gz DZQGTFHMWBTZJN-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089107283 179703294 /nfs/dbraw/zinc/70/32/94/179703294.db2.gz RXAZISMPIJJPGQ-QWHCGFSZSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000339628051 215275499 /nfs/dbraw/zinc/27/54/99/215275499.db2.gz GEGPSRHKBLQDGP-CHWSQXEVSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccsc1 ZINC000619783600 349236373 /nfs/dbraw/zinc/23/63/73/349236373.db2.gz UDKMHXVOWYEDAA-SNVBAGLBSA-N 1 0 293.348 2.169 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCOCC2 ZINC000619531983 349194733 /nfs/dbraw/zinc/19/47/33/349194733.db2.gz YGFXDOZCNUMGMZ-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000619566987 349199819 /nfs/dbraw/zinc/19/98/19/349199819.db2.gz FRHCBJOZWKDLKW-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO COCCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000091102896 180097227 /nfs/dbraw/zinc/09/72/27/180097227.db2.gz BZUCQOBKPSAOKQ-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+](CC)CC ZINC000091555628 180190338 /nfs/dbraw/zinc/19/03/38/180190338.db2.gz KAOSREWKQKXADY-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCCCCC1 ZINC000091554065 180189614 /nfs/dbraw/zinc/18/96/14/180189614.db2.gz IDADJYQFGSVSRU-UHFFFAOYSA-N 1 0 295.387 2.408 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000105480635 186058955 /nfs/dbraw/zinc/05/89/55/186058955.db2.gz MWVNKGJQDDBWAQ-FZMZJTMJSA-N 1 0 263.341 2.025 20 5 CEBDRO CC[C@H](c1ccncc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091992861 180300548 /nfs/dbraw/zinc/30/05/48/180300548.db2.gz PSMUTXCHVBRACE-CQSZACIVSA-N 1 0 289.339 2.269 20 5 CEBDRO Cc1cc(NCCCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000092027091 180308500 /nfs/dbraw/zinc/30/85/00/180308500.db2.gz NCRSUYLVQCCQBW-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000107687773 186186348 /nfs/dbraw/zinc/18/63/48/186186348.db2.gz KIEXZMUULBLKSF-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048951 186348161 /nfs/dbraw/zinc/34/81/61/186348161.db2.gz SKXDZFOIRJXILH-NSHDSACASA-N 1 0 277.324 2.252 20 5 CEBDRO CCOc1cc(C[N@H+](CC)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000352224187 219372889 /nfs/dbraw/zinc/37/28/89/219372889.db2.gz ZPPHHICHOWMYQH-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070069762 363025492 /nfs/dbraw/zinc/02/54/92/363025492.db2.gz SZZFAZHGCRFHDS-SNVBAGLBSA-N 1 0 297.742 2.024 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070149219 363036855 /nfs/dbraw/zinc/03/68/55/363036855.db2.gz NUZLCQRUIGVTSY-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCOCC2)cs1 ZINC000070161011 363039893 /nfs/dbraw/zinc/03/98/93/363039893.db2.gz XCNOTPRBMODRCB-UHFFFAOYSA-N 1 0 256.327 2.173 20 5 CEBDRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122036929 187011265 /nfs/dbraw/zinc/01/12/65/187011265.db2.gz SCZDHFJLYWTFAV-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318352 187026324 /nfs/dbraw/zinc/02/63/24/187026324.db2.gz VIRKPLISKMVXNQ-YPMHNXCESA-N 1 0 275.352 2.310 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123193355 187076831 /nfs/dbraw/zinc/07/68/31/187076831.db2.gz SXTOKOMDMVRIAS-WFASDCNBSA-N 1 0 294.351 2.359 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000122686022 187045805 /nfs/dbraw/zinc/04/58/05/187045805.db2.gz ZIJSAZDMYHYTJC-QMMMGPOBSA-N 1 0 270.720 2.149 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070575081 363097062 /nfs/dbraw/zinc/09/70/62/363097062.db2.gz AHQDCSAJFDOINL-MNOVXSKESA-N 1 0 277.324 2.359 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458970 191150825 /nfs/dbraw/zinc/15/08/25/191150825.db2.gz FSIAPDURRFKWCE-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO Cc1c(C(=O)N[C@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000292092683 198159811 /nfs/dbraw/zinc/15/98/11/198159811.db2.gz NMAOXPGJANLXIB-SNVBAGLBSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125285 198172947 /nfs/dbraw/zinc/17/29/47/198172947.db2.gz AWJMGGKTMGUJCW-WCQYABFASA-N 1 0 250.298 2.113 20 5 CEBDRO COc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292251812 198219102 /nfs/dbraw/zinc/21/91/02/198219102.db2.gz KFGRBCZMRMHGRO-OAHLLOKOSA-N 1 0 291.351 2.135 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908807 366098106 /nfs/dbraw/zinc/09/81/06/366098106.db2.gz DEVIPXAXOJRZPO-ZYHUDNBSSA-N 1 0 252.314 2.406 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451537007 283024785 /nfs/dbraw/zinc/02/47/85/283024785.db2.gz CAJPSGXOBJGHII-IUODEOHRSA-N 1 0 278.352 2.494 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074740314 363380086 /nfs/dbraw/zinc/38/00/86/363380086.db2.gz XMWUAXIGZAHTMA-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634581 283058879 /nfs/dbraw/zinc/05/88/79/283058879.db2.gz RUYXKVPKPSOQFL-OSAQELSMSA-N 1 0 275.352 2.292 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000174153098 188884473 /nfs/dbraw/zinc/88/44/73/188884473.db2.gz LQEPBVZCVDRVAG-NSHDSACASA-N 1 0 297.380 2.213 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@]2(CCSC2)C1 ZINC000451978787 283155546 /nfs/dbraw/zinc/15/55/46/283155546.db2.gz POCMANOXFQBWMN-ZDUSSCGKSA-N 1 0 296.396 2.047 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452007685 283160090 /nfs/dbraw/zinc/16/00/90/283160090.db2.gz NSDGFMPCSFBWHQ-JTQLQIEISA-N 1 0 252.318 2.054 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452013813 283160895 /nfs/dbraw/zinc/16/08/95/283160895.db2.gz TWYXKYZBLTUGJD-VIFPVBQESA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1cc(C(=O)NC(C)(C)CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000293757098 198760171 /nfs/dbraw/zinc/76/01/71/198760171.db2.gz WWIZOIAMXFTJAC-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000076117538 363523234 /nfs/dbraw/zinc/52/32/34/363523234.db2.gz HKINGBBAQVZGBT-LLVKDONJSA-N 1 0 250.298 2.458 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134980263 366381115 /nfs/dbraw/zinc/38/11/15/366381115.db2.gz VFGUXTDJEXRYPI-BDAKNGLRSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000294038998 198882254 /nfs/dbraw/zinc/88/22/54/198882254.db2.gz FNQPZJOVUUHDSO-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158431479 283280723 /nfs/dbraw/zinc/28/07/23/283280723.db2.gz RDGAEBCSTONYSM-JTQLQIEISA-N 1 0 279.340 2.018 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000570717349 299274738 /nfs/dbraw/zinc/27/47/38/299274738.db2.gz XTKCQFYIVAHVJF-UHFFFAOYSA-N 1 0 291.307 2.070 20 5 CEBDRO CC(C)CC[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000578006352 366428635 /nfs/dbraw/zinc/42/86/35/366428635.db2.gz CBQMKPXLBSPAMV-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294883145 199230465 /nfs/dbraw/zinc/23/04/65/199230465.db2.gz VUFODNFXQLAAFP-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO C[C@@H](CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294883149 199231032 /nfs/dbraw/zinc/23/10/32/199231032.db2.gz VUFODNFXQLAAFP-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H](CC[NH3+])C(F)(F)F ZINC000415062641 236613760 /nfs/dbraw/zinc/61/37/60/236613760.db2.gz YXYSBZQSXSMQIY-LLVKDONJSA-N 1 0 291.273 2.273 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415506810 236676837 /nfs/dbraw/zinc/67/68/37/236676837.db2.gz SCVUOJOUCWDWSO-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415581641 236683038 /nfs/dbraw/zinc/68/30/38/236683038.db2.gz NSYUUIDJIVTCQQ-LBPRGKRZSA-N 1 0 292.339 2.070 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCCCC2)cc1CO ZINC000341292934 215914623 /nfs/dbraw/zinc/91/46/23/215914623.db2.gz VPCKDQNKLALZAM-UHFFFAOYSA-N 1 0 294.351 2.342 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417146196 237019391 /nfs/dbraw/zinc/01/93/91/237019391.db2.gz XVNCKOZJKQEGSU-GHMZBOCLSA-N 1 0 294.355 2.082 20 5 CEBDRO Cc1ncc2c(n1)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000143411019 366568942 /nfs/dbraw/zinc/56/89/42/366568942.db2.gz NJVDWBZPDJTCOX-UHFFFAOYSA-N 1 0 284.319 2.252 20 5 CEBDRO C[NH+](C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000145242944 366572645 /nfs/dbraw/zinc/57/26/45/366572645.db2.gz CJVYOVSLXXQDKM-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CC(=O)c1cc(N2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000579388495 366639856 /nfs/dbraw/zinc/63/98/56/366639856.db2.gz VNFHJRCCJRLNMT-QWRGUYRKSA-N 1 0 291.351 2.326 20 5 CEBDRO Cc1nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525492 366650831 /nfs/dbraw/zinc/65/08/31/366650831.db2.gz ZPJZHQOTVKKRER-ONGXEEELSA-N 1 0 276.340 2.335 20 5 CEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000177434687 189051200 /nfs/dbraw/zinc/05/12/00/189051200.db2.gz DGTFHVMXCKONDC-HNNXBMFYSA-N 1 0 292.335 2.288 20 5 CEBDRO CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380030 189111651 /nfs/dbraw/zinc/11/16/51/189111651.db2.gz FMEIXHXGTWGATP-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178591183 189129424 /nfs/dbraw/zinc/12/94/24/189129424.db2.gz QJUWFQZXZTWZSR-LLVKDONJSA-N 1 0 293.323 2.088 20 5 CEBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179368156 189189247 /nfs/dbraw/zinc/18/92/47/189189247.db2.gz FISLKDOILWFMGV-LLVKDONJSA-N 1 0 252.314 2.370 20 5 CEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000179565308 189202190 /nfs/dbraw/zinc/20/21/90/189202190.db2.gz KTFACANHYKLGNZ-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO CC[C@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000180248766 189246351 /nfs/dbraw/zinc/24/63/51/189246351.db2.gz JVDVCLGKFOZHJT-AWEZNQCLSA-N 1 0 282.340 2.035 20 5 CEBDRO Cc1ccnc(NCC[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000301251184 200951788 /nfs/dbraw/zinc/95/17/88/200951788.db2.gz CEYDAZBJLZIDTJ-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO CC[N@H+](CCNc1ncc(C)cc1[N+](=O)[O-])C(C)C ZINC000301463592 201017208 /nfs/dbraw/zinc/01/72/08/201017208.db2.gz VRKQCIBRBSFMPR-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CC1CC[NH+](C[C@H](O)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301528812 201049364 /nfs/dbraw/zinc/04/93/64/201049364.db2.gz IUZSKKYRUJCSCW-OAHLLOKOSA-N 1 0 293.367 2.100 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[NH2+]C[C@@](C)(F)C1 ZINC000580294858 366777137 /nfs/dbraw/zinc/77/71/37/366777137.db2.gz ZUEMFODOJPDXBQ-CYBMUJFWSA-N 1 0 267.304 2.041 20 5 CEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340157411 366785545 /nfs/dbraw/zinc/78/55/45/366785545.db2.gz WXZPYDGBICBQHN-XQQFMLRXSA-N 1 0 292.383 2.190 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCOC1 ZINC000183388842 189357763 /nfs/dbraw/zinc/35/77/63/189357763.db2.gz BZUJYKOPGDHADF-GFCCVEGCSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428930 361534455 /nfs/dbraw/zinc/53/44/55/361534455.db2.gz HJPUPYWYQCWJNP-UFBFGSQYSA-N 1 0 265.313 2.215 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])c1ccccc1 ZINC000237159746 370696174 /nfs/dbraw/zinc/69/61/74/370696174.db2.gz RILYEBXIANEOHM-OAHLLOKOSA-N 1 0 299.330 2.253 20 5 CEBDRO Cc1sc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000026188471 361637366 /nfs/dbraw/zinc/63/73/66/361637366.db2.gz LDDPCGJIZMOKMV-UHFFFAOYSA-N 1 0 297.380 2.180 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCn1ccnc1)CC2 ZINC000342478512 216366954 /nfs/dbraw/zinc/36/69/54/216366954.db2.gz JUVIWTOLOGMNPO-UHFFFAOYSA-N 1 0 286.335 2.240 20 5 CEBDRO Cc1c(NC(=O)[C@@H](C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000087519584 363859115 /nfs/dbraw/zinc/85/91/15/363859115.db2.gz BMDKVBJGXPKHSI-JTQLQIEISA-N 1 0 265.313 2.073 20 5 CEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088139001 363879064 /nfs/dbraw/zinc/87/90/64/363879064.db2.gz IGXNUIALIYRKJO-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000089518806 363976824 /nfs/dbraw/zinc/97/68/24/363976824.db2.gz XWDUIVLLBUFORB-VIFPVBQESA-N 1 0 276.296 2.180 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000090795387 364066096 /nfs/dbraw/zinc/06/60/96/364066096.db2.gz OGHOLTIOHHYWBC-WDEREUQCSA-N 1 0 279.340 2.498 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094461318 364275411 /nfs/dbraw/zinc/27/54/11/364275411.db2.gz DXDSYVGOVQEGEN-CYBMUJFWSA-N 1 0 289.335 2.082 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000094774976 364295193 /nfs/dbraw/zinc/29/51/93/364295193.db2.gz JFFNUFNEHBYEIE-GFCCVEGCSA-N 1 0 279.315 2.014 20 5 CEBDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774543 364295617 /nfs/dbraw/zinc/29/56/17/364295617.db2.gz LFHJZBDBVIRFOA-UHFFFAOYSA-N 1 0 256.277 2.202 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192250522 189617965 /nfs/dbraw/zinc/61/79/65/189617965.db2.gz DWPZKCVJPOBGND-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112309316 364789197 /nfs/dbraw/zinc/78/91/97/364789197.db2.gz YYVZXSVYNPJIJC-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112837378 364848924 /nfs/dbraw/zinc/84/89/24/364848924.db2.gz ACTOPICAPPXFDP-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000112983644 364861610 /nfs/dbraw/zinc/86/16/10/364861610.db2.gz GICYMOBEQQKYGH-UHFFFAOYSA-N 1 0 291.351 2.290 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000112989209 364865561 /nfs/dbraw/zinc/86/55/61/364865561.db2.gz YCBJDCLJIWKIBP-LBPRGKRZSA-N 1 0 264.325 2.453 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000118887926 365188450 /nfs/dbraw/zinc/18/84/50/365188450.db2.gz VGOUXYGDIBCYKM-UHFFFAOYSA-N 1 0 269.370 2.184 20 5 CEBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537328 193070340 /nfs/dbraw/zinc/07/03/40/193070340.db2.gz YFJSGCSSSSTNRW-CQSZACIVSA-N 1 0 278.352 2.230 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(OCC[NH+]2CCCCC2)c1 ZINC000582724660 366948844 /nfs/dbraw/zinc/94/88/44/366948844.db2.gz ASPRZOIDWFMGEL-UHFFFAOYSA-N 1 0 280.324 2.468 20 5 CEBDRO CC[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000162604666 367174450 /nfs/dbraw/zinc/17/44/50/367174450.db2.gz GXUALHQFEZJDON-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO O=[N+]([O-])c1ncccc1NCC12CCC[NH+]1CCC2 ZINC000588036865 367189664 /nfs/dbraw/zinc/18/96/64/367189664.db2.gz PXVHRSUJXGRGRM-UHFFFAOYSA-N 1 0 262.313 2.030 20 5 CEBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000162912199 367203207 /nfs/dbraw/zinc/20/32/07/367203207.db2.gz UQMGGMNSXKIGOS-ZJUUUORDSA-N 1 0 291.307 2.251 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168205401 367349946 /nfs/dbraw/zinc/34/99/46/367349946.db2.gz WAAWQSXNZCRYCY-NTCNTBNZSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000166150777 367317532 /nfs/dbraw/zinc/31/75/32/367317532.db2.gz NSWJHFLGSKDMMY-KOLCDFICSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000166150660 367318322 /nfs/dbraw/zinc/31/83/22/367318322.db2.gz NSWJHFLGSKDMMY-ONGXEEELSA-N 1 0 268.288 2.249 20 5 CEBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000572515971 299376313 /nfs/dbraw/zinc/37/63/13/299376313.db2.gz ZXVLWCFSWKXNFD-LLVKDONJSA-N 1 0 295.387 2.035 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000172718039 367806306 /nfs/dbraw/zinc/80/63/06/367806306.db2.gz RSGIQYNKSUWOTM-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343424478 367806900 /nfs/dbraw/zinc/80/69/00/367806900.db2.gz DOYGAIRPAGCIBI-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173056966 367864787 /nfs/dbraw/zinc/86/47/87/367864787.db2.gz ZBHZGQDNGCOYNP-LLVKDONJSA-N 1 0 293.367 2.301 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343530554 367866469 /nfs/dbraw/zinc/86/64/69/367866469.db2.gz ONSOXPPPGAASDR-AGIUHOORSA-N 1 0 294.351 2.065 20 5 CEBDRO COc1ccc(C[NH2+]Cc2cc[nH]c2)cc1[N+](=O)[O-] ZINC000343885660 368059042 /nfs/dbraw/zinc/05/90/42/368059042.db2.gz HTEOZBHJYKGPOA-UHFFFAOYSA-N 1 0 261.281 2.221 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000174419173 368021569 /nfs/dbraw/zinc/02/15/69/368021569.db2.gz XJZCAZSTQCWHAB-NSHDSACASA-N 1 0 250.298 2.458 20 5 CEBDRO C[C@@H]([NH2+]CCC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000185381139 368801249 /nfs/dbraw/zinc/80/12/49/368801249.db2.gz CMRARXWMEFWWGF-SNVBAGLBSA-N 1 0 266.297 2.008 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000185369192 368798732 /nfs/dbraw/zinc/79/87/32/368798732.db2.gz OJJQECJWUBCDIL-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000348146309 368919858 /nfs/dbraw/zinc/91/98/58/368919858.db2.gz USYAVVIRBBDAGN-CHWSQXEVSA-N 1 0 294.351 2.378 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000348159648 368926504 /nfs/dbraw/zinc/92/65/04/368926504.db2.gz KJTNONYWRPWAGZ-STQMWFEESA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348177088 368934774 /nfs/dbraw/zinc/93/47/74/368934774.db2.gz HAYYWTJHLMTERE-OLZOCXBDSA-N 1 0 292.383 2.395 20 5 CEBDRO Cc1sc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186759738 369036012 /nfs/dbraw/zinc/03/60/12/369036012.db2.gz BNDGHIUMTLVKIY-UHFFFAOYSA-N 1 0 297.380 2.131 20 5 CEBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000276025446 193192157 /nfs/dbraw/zinc/19/21/57/193192157.db2.gz RBUNHVZRZWWGCY-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206401 370951157 /nfs/dbraw/zinc/95/11/57/370951157.db2.gz SNAOZGIMVTTWSQ-BBRMVZONSA-N 1 0 291.395 2.457 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(C)CCOC1 ZINC000350096947 369505075 /nfs/dbraw/zinc/50/50/75/369505075.db2.gz KFOCJPBDJOXXPG-AWEZNQCLSA-N 1 0 264.325 2.419 20 5 CEBDRO C[N@@H+]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000350255031 369528437 /nfs/dbraw/zinc/52/84/37/369528437.db2.gz LQIMPTKPATYECY-ZETCQYMHSA-N 1 0 280.309 2.125 20 5 CEBDRO COCCO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189677462 369556910 /nfs/dbraw/zinc/55/69/10/369556910.db2.gz UOQBUDOVDLPDPU-DOMZBBRYSA-N 1 0 294.351 2.393 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCCO ZINC000276336367 193290823 /nfs/dbraw/zinc/29/08/23/193290823.db2.gz GMOJGXZSVMMRLF-LLVKDONJSA-N 1 0 252.314 2.360 20 5 CEBDRO Cc1nccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352570321 369790080 /nfs/dbraw/zinc/79/00/80/369790080.db2.gz FYPICANVQYMUKZ-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000193456792 369944314 /nfs/dbraw/zinc/94/43/14/369944314.db2.gz OGNUDPGEBYPCFU-ZDUSSCGKSA-N 1 0 292.383 2.488 20 5 CEBDRO COc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000352910163 369944915 /nfs/dbraw/zinc/94/49/15/369944915.db2.gz KAGZIYGAMQZQBQ-CQSZACIVSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353152735 370042247 /nfs/dbraw/zinc/04/22/47/370042247.db2.gz MUJLVSYYVPKOBP-CQSZACIVSA-N 1 0 266.341 2.400 20 5 CEBDRO COc1ccc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331160683 203586091 /nfs/dbraw/zinc/58/60/91/203586091.db2.gz FFBQAFCZCADNKP-GHMZBOCLSA-N 1 0 294.351 2.337 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000195222065 370115831 /nfs/dbraw/zinc/11/58/31/370115831.db2.gz AXNQFXBXPDNYBX-LBPRGKRZSA-N 1 0 250.298 2.063 20 5 CEBDRO COCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000212054869 370164294 /nfs/dbraw/zinc/16/42/94/370164294.db2.gz JAUOZLHHVSBZTA-FLIBITNWSA-N 1 0 250.298 2.234 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000219515101 370225101 /nfs/dbraw/zinc/22/51/01/370225101.db2.gz ZGLLXFLSHUIYNG-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000222999355 370259919 /nfs/dbraw/zinc/25/99/19/370259919.db2.gz NJZAEMZQLHRKIH-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO C[N@H+](CCCCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000227117647 370361065 /nfs/dbraw/zinc/36/10/65/370361065.db2.gz YQVUSIZTVTUUSL-UHFFFAOYSA-N 1 0 266.341 2.232 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000227649080 370378673 /nfs/dbraw/zinc/37/86/73/370378673.db2.gz JUKXGJUYXCFJOG-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO COc1ccc(C[N@H+](C)CCCCCO)cc1[N+](=O)[O-] ZINC000231730364 370492161 /nfs/dbraw/zinc/49/21/61/370492161.db2.gz OTIMWUYDOMLPFO-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000355194552 370543752 /nfs/dbraw/zinc/54/37/52/370543752.db2.gz WEXOUWWWNQGAMO-SQWULWQPSA-N 1 0 276.336 2.311 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235123850 370556497 /nfs/dbraw/zinc/55/64/97/370556497.db2.gz UOWANTZNWTZEIU-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO CC[NH2+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233519089 370520714 /nfs/dbraw/zinc/52/07/14/370520714.db2.gz UZVGSKMRNYSCKG-UHFFFAOYSA-N 1 0 278.234 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000250121855 371377457 /nfs/dbraw/zinc/37/74/57/371377457.db2.gz VMEQZBTXINHNGU-BFHYXJOUSA-N 1 0 262.309 2.252 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CC=C(C)CC1 ZINC000359562226 371470563 /nfs/dbraw/zinc/47/05/63/371470563.db2.gz FYOAPKPEGHQWBC-UHFFFAOYSA-N 1 0 293.371 2.184 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1NCC[C@H]1CCC[NH2+]1 ZINC000261586470 371665376 /nfs/dbraw/zinc/66/53/76/371665376.db2.gz UISKGXLVKIFMBN-SECBINFHSA-N 1 0 253.277 2.288 20 5 CEBDRO COc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000261599222 371670428 /nfs/dbraw/zinc/67/04/28/371670428.db2.gz SLZKJZKSNUGOMV-UHFFFAOYSA-N 1 0 293.323 2.204 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361152188 371683138 /nfs/dbraw/zinc/68/31/38/371683138.db2.gz HFJADDIHGJRQEW-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000344047185 217028161 /nfs/dbraw/zinc/02/81/61/217028161.db2.gz YRMPTPNCCWWLSH-LBPRGKRZSA-N 1 0 293.367 2.125 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC(C)(C)C1 ZINC000361469850 371863678 /nfs/dbraw/zinc/86/36/78/371863678.db2.gz OOVSUPNBEIQQGO-NSHDSACASA-N 1 0 266.345 2.302 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)C ZINC000361520146 371895735 /nfs/dbraw/zinc/89/57/35/371895735.db2.gz SZPKPSXSZXBFSQ-UHFFFAOYSA-N 1 0 254.334 2.196 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000266272826 372041008 /nfs/dbraw/zinc/04/10/08/372041008.db2.gz RJDHRWZEUZIXJJ-GFCCVEGCSA-N 1 0 289.335 2.054 20 5 CEBDRO Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268512138 372123366 /nfs/dbraw/zinc/12/33/66/372123366.db2.gz SDDKSSCYFXVFGV-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1nc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268512313 372123522 /nfs/dbraw/zinc/12/35/22/372123522.db2.gz SJSXGHPKQPOLOR-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268921122 372287150 /nfs/dbraw/zinc/28/71/50/372287150.db2.gz WTDOAGQFGSWITL-MWLCHTKSSA-N 1 0 252.314 2.325 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344332539 217155521 /nfs/dbraw/zinc/15/55/21/217155521.db2.gz OGRVMLBQOLKSLP-AAEUAGOBSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000269232517 372390105 /nfs/dbraw/zinc/39/01/05/372390105.db2.gz VYYXAMBYKXBXIL-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO CNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000362964712 372594256 /nfs/dbraw/zinc/59/42/56/372594256.db2.gz WQOYEOXOSKXBNF-LBPRGKRZSA-N 1 0 299.758 2.108 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344583267 217239744 /nfs/dbraw/zinc/23/97/44/217239744.db2.gz SWFYBNYFGNUVGC-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000344650040 217263479 /nfs/dbraw/zinc/26/34/79/217263479.db2.gz WPWYTZJKTGNMOS-NSHDSACASA-N 1 0 295.339 2.038 20 5 CEBDRO CC[C@H](CO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344755649 217300608 /nfs/dbraw/zinc/30/06/08/217300608.db2.gz DEUSDAQUJLDEJP-SVTZGKHISA-N 1 0 264.325 2.359 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870148 217340052 /nfs/dbraw/zinc/34/00/52/217340052.db2.gz XKOMUUJAWMJKRA-KGTBHZDVSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272273783 373402408 /nfs/dbraw/zinc/40/24/08/373402408.db2.gz NXJZJKRXNCJLNS-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)n1 ZINC000369454109 373418874 /nfs/dbraw/zinc/41/88/74/373418874.db2.gz YAPASJIMRWHUTR-STQMWFEESA-N 1 0 278.356 2.446 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCCCC[C@H]32)c1 ZINC000369454423 373421063 /nfs/dbraw/zinc/42/10/63/373421063.db2.gz ZZPMUAMFLQXUMQ-TZMCWYRMSA-N 1 0 278.356 2.446 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370668451 373712129 /nfs/dbraw/zinc/71/21/29/373712129.db2.gz WKXIKCVGTNOJQS-AWEZNQCLSA-N 1 0 280.299 2.081 20 5 CEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000275168279 374175726 /nfs/dbraw/zinc/17/57/26/374175726.db2.gz ALSVEIKDTPPEBR-SOUVJXGZSA-N 1 0 294.351 2.175 20 5 CEBDRO C[Si](C)(C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373581458 374383144 /nfs/dbraw/zinc/38/31/44/374383144.db2.gz FDZYGJFYQIVLIZ-LLVKDONJSA-N 1 0 282.420 2.306 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC000373931051 374449387 /nfs/dbraw/zinc/44/93/87/374449387.db2.gz AIHPJPQAJVDSDA-ZJUUUORDSA-N 1 0 295.364 2.013 20 5 CEBDRO Cc1cccc2c1C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371076 374494871 /nfs/dbraw/zinc/49/48/71/374494871.db2.gz XOZZSYMBBKEBFF-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385857999 375245641 /nfs/dbraw/zinc/24/56/41/375245641.db2.gz YYWYMAVNIBPZCA-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282252713 375440338 /nfs/dbraw/zinc/44/03/38/375440338.db2.gz RJZGTCSOWRZRAC-UHFFFAOYSA-N 1 0 264.329 2.073 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000283155262 375665142 /nfs/dbraw/zinc/66/51/42/375665142.db2.gz OSRUGBMJGVSUIC-VHSXEESVSA-N 1 0 298.314 2.411 20 5 CEBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283198284 375672236 /nfs/dbraw/zinc/67/22/36/375672236.db2.gz RDPAHDMHZSLYRG-CQSZACIVSA-N 1 0 296.298 2.119 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283934005 375783180 /nfs/dbraw/zinc/78/31/80/375783180.db2.gz FDZOYUGDSRDMDA-JTQLQIEISA-N 1 0 281.356 2.236 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000414663550 375907543 /nfs/dbraw/zinc/90/75/43/375907543.db2.gz SLDVIQYBTVCDQO-UHFFFAOYSA-N 1 0 294.355 2.352 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414667382 375908051 /nfs/dbraw/zinc/90/80/51/375908051.db2.gz XPMXBDPJCGICEK-GHMZBOCLSA-N 1 0 292.339 2.117 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414795131 375977905 /nfs/dbraw/zinc/97/79/05/375977905.db2.gz MQLIFDHMICEBNZ-IYNGYCSASA-N 1 0 263.341 2.181 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414705246 375932779 /nfs/dbraw/zinc/93/27/79/375932779.db2.gz NTLNGTOQMNKNPD-JOYOIKCWSA-N 1 0 292.339 2.023 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000287492388 376243742 /nfs/dbraw/zinc/24/37/42/376243742.db2.gz SVEQDBBAOXHICI-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO CC[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000419271296 376421685 /nfs/dbraw/zinc/42/16/85/376421685.db2.gz SFCITVROLYSSIW-CQSZACIVSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1(C)C ZINC000419309685 376439322 /nfs/dbraw/zinc/43/93/22/376439322.db2.gz CBCXXLLVYXPWGE-STQMWFEESA-N 1 0 293.367 2.171 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000305753262 376473866 /nfs/dbraw/zinc/47/38/66/376473866.db2.gz ULRZNTDXXLTESV-CYBMUJFWSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289914453 376556594 /nfs/dbraw/zinc/55/65/94/376556594.db2.gz RWPKYUMDOGNXPF-UHFFFAOYSA-N 1 0 292.364 2.395 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000312544123 376719287 /nfs/dbraw/zinc/71/92/87/376719287.db2.gz RDTUQGVOIDPKFO-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO COc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420998740 376772994 /nfs/dbraw/zinc/77/29/94/376772994.db2.gz IPFCFFUEOSCELR-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1cc(N2CC(O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317033930 376805860 /nfs/dbraw/zinc/80/58/60/376805860.db2.gz QROJPMIGHWEJFV-UHFFFAOYSA-N 1 0 299.330 2.413 20 5 CEBDRO Cc1ccnc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290631351 376859949 /nfs/dbraw/zinc/85/99/49/376859949.db2.gz HDMHUWSBJBLJKC-LLVKDONJSA-N 1 0 266.345 2.439 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291020406 377034608 /nfs/dbraw/zinc/03/46/08/377034608.db2.gz AFVDCGCKQZOMOZ-AWEZNQCLSA-N 1 0 272.308 2.238 20 5 CEBDRO C[C@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264689061 190128920 /nfs/dbraw/zinc/12/89/20/190128920.db2.gz DBYCEMZPDKTJJH-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562789486 377001299 /nfs/dbraw/zinc/00/12/99/377001299.db2.gz CWMUURJYPYLDSB-RYUDHWBXSA-N 1 0 291.351 2.175 20 5 CEBDRO CC[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423177539 377087675 /nfs/dbraw/zinc/08/76/75/377087675.db2.gz AWEXQKNHGJXFMP-TZMCWYRMSA-N 1 0 263.341 2.388 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](NCC2C[NH2+]C2)c2ccccc2)c1 ZINC000423299061 377226923 /nfs/dbraw/zinc/22/69/23/377226923.db2.gz AZXIGZSSGHNWGL-QGZVFWFLSA-N 1 0 297.358 2.493 20 5 CEBDRO CCC[NH2+]CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423314817 377244009 /nfs/dbraw/zinc/24/40/09/377244009.db2.gz WPCNLHKXUICSIO-NSHDSACASA-N 1 0 251.330 2.245 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCCC1(C)C ZINC000331103508 377282411 /nfs/dbraw/zinc/28/24/11/377282411.db2.gz FLBXKSSRNMRQAY-NSHDSACASA-N 1 0 266.345 2.387 20 5 CEBDRO CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000564835090 377470761 /nfs/dbraw/zinc/47/07/61/377470761.db2.gz TYYOPVSRAYDCGF-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+](C)C)C1 ZINC000293250702 377493056 /nfs/dbraw/zinc/49/30/56/377493056.db2.gz ZUEKKSQIIIMIFI-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO C[C@H]([NH3+])C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430921085 377565230 /nfs/dbraw/zinc/56/52/30/377565230.db2.gz RRYNZAMQHFWXFD-JTQLQIEISA-N 1 0 281.331 2.293 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313154246 249386639 /nfs/dbraw/zinc/38/66/39/249386639.db2.gz FRCSRNGWKCSCOG-SZNGSJQDSA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000332638473 377652263 /nfs/dbraw/zinc/65/22/63/377652263.db2.gz AJXLOMVQJNNEQZ-VXNVDRBHSA-N 1 0 269.326 2.259 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293625505 377663425 /nfs/dbraw/zinc/66/34/25/377663425.db2.gz HEZQGTVTMZVEKJ-WDEREUQCSA-N 1 0 292.383 2.310 20 5 CEBDRO COC[C@H]1CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652736 377679047 /nfs/dbraw/zinc/67/90/47/377679047.db2.gz SOPQMKXZCBSAJH-LLVKDONJSA-N 1 0 270.716 2.469 20 5 CEBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768060 377748202 /nfs/dbraw/zinc/74/82/02/377748202.db2.gz RWIZKODKGMDDIG-OTYXRUKQSA-N 1 0 279.340 2.253 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293898508 377814501 /nfs/dbraw/zinc/81/45/01/377814501.db2.gz HCCOUGAJPNJARS-JTQLQIEISA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000567488419 377828383 /nfs/dbraw/zinc/82/83/83/377828383.db2.gz RFXDAZIEHMWSPS-LBPRGKRZSA-N 1 0 286.335 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000438030433 377877738 /nfs/dbraw/zinc/87/77/38/377877738.db2.gz XCKMOTXOODZLPT-TXEJJXNPSA-N 1 0 279.315 2.060 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294167421 377926310 /nfs/dbraw/zinc/92/63/10/377926310.db2.gz WFTMGTSXPAUHRQ-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO COC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447581597 378120694 /nfs/dbraw/zinc/12/06/94/378120694.db2.gz VLBRTSJODOKCPO-VXGBXAGGSA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C(C)C)c1 ZINC000266090161 190229600 /nfs/dbraw/zinc/22/96/00/190229600.db2.gz PLQVAUAOVOOKEV-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000450350001 378370313 /nfs/dbraw/zinc/37/03/13/378370313.db2.gz QBKHHTXTIXZTFV-DGCLKSJQSA-N 1 0 278.356 2.156 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000296409815 378521356 /nfs/dbraw/zinc/52/13/56/378521356.db2.gz VCXMRKYRUCGNNG-BXUZGUMPSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792596 378583128 /nfs/dbraw/zinc/58/31/28/378583128.db2.gz OEQKDJRPFODPDZ-OKILXGFUSA-N 1 0 291.351 2.178 20 5 CEBDRO CCn1ccnc1[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000450827492 378597823 /nfs/dbraw/zinc/59/78/23/378597823.db2.gz IBLSFGVNEPSFOM-SECBINFHSA-N 1 0 278.316 2.026 20 5 CEBDRO CC/C=C/CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298027804 378692946 /nfs/dbraw/zinc/69/29/46/378692946.db2.gz FLKANPNPPFDMOO-ONEGZZNKSA-N 1 0 290.367 2.468 20 5 CEBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424538 378899975 /nfs/dbraw/zinc/89/99/75/378899975.db2.gz YGNRFIVFFQVGKS-CHWSQXEVSA-N 1 0 279.340 2.160 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C)CC1 ZINC000347004353 218088533 /nfs/dbraw/zinc/08/85/33/218088533.db2.gz AYRJXEDLFPFGNE-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000299230872 378936361 /nfs/dbraw/zinc/93/63/61/378936361.db2.gz GKIQCQVKBGYCGS-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H](C)O ZINC000278587271 194058840 /nfs/dbraw/zinc/05/88/40/194058840.db2.gz GNDKDQJLTKEAOP-NSHDSACASA-N 1 0 282.340 2.244 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000514738576 379144634 /nfs/dbraw/zinc/14/46/34/379144634.db2.gz IORLEBUUXDBGCA-WDMOLILDSA-N 1 0 274.320 2.109 20 5 CEBDRO Cc1c(CN2CCC[C@H]3C[NH2+]C[C@H]32)cccc1[N+](=O)[O-] ZINC000299920907 379145103 /nfs/dbraw/zinc/14/51/03/379145103.db2.gz LHGFCWRIOBBIKV-SWLSCSKDSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278851644 194183275 /nfs/dbraw/zinc/18/32/75/194183275.db2.gz QLLZPXUGNJLWFB-HUBLWGQQSA-N 1 0 294.351 2.094 20 5 CEBDRO C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301282462 379246491 /nfs/dbraw/zinc/24/64/91/379246491.db2.gz PAGXGXWVMQIDND-UHFFFAOYSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301307717 379252801 /nfs/dbraw/zinc/25/28/01/379252801.db2.gz ZWWCSNAMDDNHMH-NSHDSACASA-N 1 0 293.371 2.066 20 5 CEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266541584 190265338 /nfs/dbraw/zinc/26/53/38/190265338.db2.gz QGTYQJMHSDIPHD-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C(C)C ZINC000304071205 379520974 /nfs/dbraw/zinc/52/09/74/379520974.db2.gz VLHWEOQZOGHEFZ-HNNXBMFYSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000304524906 379584632 /nfs/dbraw/zinc/58/46/32/379584632.db2.gz YYIXVUPCNXFSTP-QMTHXVAHSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1ccnc(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267032409 190298120 /nfs/dbraw/zinc/29/81/20/190298120.db2.gz BGQNJPMSSAWREK-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000305254412 379699317 /nfs/dbraw/zinc/69/93/17/379699317.db2.gz MXPPQROGCVPKBS-CQSZACIVSA-N 1 0 294.351 2.339 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000457120211 379678300 /nfs/dbraw/zinc/67/83/00/379678300.db2.gz NXIQFNSFDQJUKY-NSHDSACASA-N 1 0 297.380 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000267448961 190331156 /nfs/dbraw/zinc/33/11/56/190331156.db2.gz DVJDFAPJMLNHFD-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH+](C)C/C=C\C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000492061180 380434925 /nfs/dbraw/zinc/43/49/25/380434925.db2.gz YQGBVWIQUPHECC-WAYWQWQTSA-N 1 0 291.351 2.064 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC000552548136 380708748 /nfs/dbraw/zinc/70/87/48/380708748.db2.gz IJPCGFDZYUJKQW-UHFFFAOYSA-N 1 0 293.367 2.285 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000279236746 194347029 /nfs/dbraw/zinc/34/70/29/194347029.db2.gz JQFSLBYPRGOGGX-RISCZKNCSA-N 1 0 294.351 2.244 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493270816 380888692 /nfs/dbraw/zinc/88/86/92/380888692.db2.gz RWUWBVPHLRNXPW-TWGQIWQCSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348918405 218773571 /nfs/dbraw/zinc/77/35/71/218773571.db2.gz CDVYJPPBUCKGFW-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000280841469 194997535 /nfs/dbraw/zinc/99/75/35/194997535.db2.gz KQQLBVRGQRMYHR-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000264967916 285095870 /nfs/dbraw/zinc/09/58/70/285095870.db2.gz OUPMEMQRKJRLPF-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135519408 285113485 /nfs/dbraw/zinc/11/34/85/285113485.db2.gz YZTNHFZJWLBNNN-KBPBESRZSA-N 1 0 294.376 2.301 20 5 CEBDRO CCC(CC)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289353445 197309056 /nfs/dbraw/zinc/30/90/56/197309056.db2.gz GKVRUIZVAZYXHX-UHFFFAOYSA-N 1 0 281.356 2.267 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000287519497 285156564 /nfs/dbraw/zinc/15/65/64/285156564.db2.gz ZVDMIEQVLHFACQ-NSHDSACASA-N 1 0 277.299 2.184 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000414885567 285161946 /nfs/dbraw/zinc/16/19/46/285161946.db2.gz PGMDGDXECKLAAB-AEGPPILISA-N 1 0 289.379 2.258 20 5 CEBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412117263 533117310 /nfs/dbraw/zinc/11/73/10/533117310.db2.gz YZOLHKMQUZBYJR-HNNXBMFYSA-N 1 0 292.335 2.370 20 5 CEBDRO CN(CC[NH+](C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288487969 197092726 /nfs/dbraw/zinc/09/27/26/197092726.db2.gz RKOHRAKZJVWGQX-UHFFFAOYSA-N 1 0 257.721 2.246 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@H](C)[NH3+] ZINC000193215511 130598819 /nfs/dbraw/zinc/59/88/19/130598819.db2.gz RKSYJDPHPHJWTD-LBPRGKRZSA-N 1 0 293.367 2.459 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091395281 135069030 /nfs/dbraw/zinc/06/90/30/135069030.db2.gz OSJKCBHOXUPZQQ-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1cc(N2CC[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228557282 394475196 /nfs/dbraw/zinc/47/51/96/394475196.db2.gz RWXTZQZMFLRGJU-OAHLLOKOSA-N 1 0 287.319 2.413 20 5 CEBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000421364411 394511286 /nfs/dbraw/zinc/51/12/86/394511286.db2.gz RYMKKGGUEZJVFY-HOMQSWHASA-N 1 0 297.380 2.038 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364415 394511617 /nfs/dbraw/zinc/51/16/17/394511617.db2.gz RZCGPXROGKXLFR-FZMZJTMJSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054374555 394559927 /nfs/dbraw/zinc/55/99/27/394559927.db2.gz RAPNAJIXFXWRFG-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745106 394519095 /nfs/dbraw/zinc/51/90/95/394519095.db2.gz ZWIRYVLKFNXIKG-GMTAPVOTSA-N 1 0 266.345 2.195 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421411234 394527371 /nfs/dbraw/zinc/52/73/71/394527371.db2.gz QIMMOVXQHQSELO-HNNXBMFYSA-N 1 0 277.368 2.429 20 5 CEBDRO CN(C)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000308612302 394528533 /nfs/dbraw/zinc/52/85/33/394528533.db2.gz FCKGQSLJEMTZHG-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000315043468 394544633 /nfs/dbraw/zinc/54/46/33/394544633.db2.gz XVZKVDBRNOUMBO-CYBMUJFWSA-N 1 0 294.351 2.046 20 5 CEBDRO CC(C)[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445155 394554755 /nfs/dbraw/zinc/55/47/55/394554755.db2.gz SIZXPEPFMKQGIT-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000265841465 394655002 /nfs/dbraw/zinc/65/50/02/394655002.db2.gz WQLUKNDODOABHT-VIFPVBQESA-N 1 0 256.327 2.125 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000072722367 394599764 /nfs/dbraw/zinc/59/97/64/394599764.db2.gz LKMGVROJXFPQNF-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000078617755 394626754 /nfs/dbraw/zinc/62/67/54/394626754.db2.gz AIAAVVWAIFDVJT-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422719944 394739413 /nfs/dbraw/zinc/73/94/13/394739413.db2.gz RQSAXAINHPDBSI-ZIAGYGMSSA-N 1 0 293.367 2.353 20 5 CEBDRO CC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270931547 394741971 /nfs/dbraw/zinc/74/19/71/394741971.db2.gz UHHURTIFXIFLGA-AWEZNQCLSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268197351 394691272 /nfs/dbraw/zinc/69/12/72/394691272.db2.gz WWCLTXMRASIINV-NEPJUHHUSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000357049652 394693709 /nfs/dbraw/zinc/69/37/09/394693709.db2.gz YJTLMTGRAXFTHG-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000414091495 394700518 /nfs/dbraw/zinc/70/05/18/394700518.db2.gz DHQOBYNGTWKWPU-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063284 394710676 /nfs/dbraw/zinc/71/06/76/394710676.db2.gz YHXGIXYOARTHSS-JQWIXIFHSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000422611543 394719542 /nfs/dbraw/zinc/71/95/42/394719542.db2.gz BBGFHYWQBWSKDZ-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO CC(C)C[C@H]([NH3+])CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000414681846 394747876 /nfs/dbraw/zinc/74/78/76/394747876.db2.gz WUKLLWOCJPRFDF-ZDUSSCGKSA-N 1 0 265.357 2.400 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272650206 394776038 /nfs/dbraw/zinc/77/60/38/394776038.db2.gz ZCAOFGMDUCKLBN-GRYCIOLGSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000414885569 394787941 /nfs/dbraw/zinc/78/79/41/394787941.db2.gz PGMDGDXECKLAAB-CFVMTHIKSA-N 1 0 289.379 2.258 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000414935044 394810840 /nfs/dbraw/zinc/81/08/40/394810840.db2.gz VVRZUROBMWEKAN-AWEZNQCLSA-N 1 0 277.368 2.463 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415054660 394865813 /nfs/dbraw/zinc/86/58/13/394865813.db2.gz QGGLZJHHSFMHBJ-DLBZAZTESA-N 1 0 297.358 2.440 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414972124 394832865 /nfs/dbraw/zinc/83/28/65/394832865.db2.gz MBQDUPWXOXTKJJ-CQSZACIVSA-N 1 0 277.368 2.381 20 5 CEBDRO Cc1cc(N(C)CCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000281948179 394883077 /nfs/dbraw/zinc/88/30/77/394883077.db2.gz SAXWPVIZOUJZLE-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000415030093 394854942 /nfs/dbraw/zinc/85/49/42/394854942.db2.gz BUNRFGHTWVVZSU-HZRUHFOJSA-N 1 0 275.352 2.338 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CC[NH3+] ZINC000415300043 394920117 /nfs/dbraw/zinc/92/01/17/394920117.db2.gz QWXBKWNQABLCRV-SECBINFHSA-N 1 0 280.328 2.070 20 5 CEBDRO CCC[NH2+]CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423455109 394924630 /nfs/dbraw/zinc/92/46/30/394924630.db2.gz DQGMDZLUFIZDFC-UHFFFAOYSA-N 1 0 293.367 2.448 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423459029 394925622 /nfs/dbraw/zinc/92/56/22/394925622.db2.gz HLNLLVGIJMRULD-YPMHNXCESA-N 1 0 251.330 2.373 20 5 CEBDRO CN(CC[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415707538 394956056 /nfs/dbraw/zinc/95/60/56/394956056.db2.gz WJUHIYNTXBPTKQ-UHFFFAOYSA-N 1 0 294.355 2.315 20 5 CEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415577964 394944712 /nfs/dbraw/zinc/94/47/12/394944712.db2.gz HYQGVLOLWYJJIE-SECBINFHSA-N 1 0 294.355 2.189 20 5 CEBDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543391 394948440 /nfs/dbraw/zinc/94/84/40/394948440.db2.gz BRZFGPQFBZGUOG-AAEUAGOBSA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377574 394984990 /nfs/dbraw/zinc/98/49/90/394984990.db2.gz ULDMWEFMAYGISA-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000367478270 394963131 /nfs/dbraw/zinc/96/31/31/394963131.db2.gz BIGFHYDAQUBJGW-LBPRGKRZSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000423704069 394970206 /nfs/dbraw/zinc/97/02/06/394970206.db2.gz LJWWOVFURDWMSN-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000367738684 394970353 /nfs/dbraw/zinc/97/03/53/394970353.db2.gz BWRBDVYUVPAXSH-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO [NH3+]CC[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149432611 394973811 /nfs/dbraw/zinc/97/38/11/394973811.db2.gz UFNWBUPGLWRBEH-VIFPVBQESA-N 1 0 284.747 2.208 20 5 CEBDRO CCN1C[C@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104641 394978470 /nfs/dbraw/zinc/97/84/70/394978470.db2.gz JDLXJKMTVSUNQQ-SWLSCSKDSA-N 1 0 277.368 2.067 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494699629 395136534 /nfs/dbraw/zinc/13/65/34/395136534.db2.gz QPLOKNUFQWAUHN-MFKMUULPSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814783 395238470 /nfs/dbraw/zinc/23/84/70/395238470.db2.gz QNBZNZWYGSJPCR-MNOVXSKESA-N 1 0 282.315 2.184 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292429757 395195372 /nfs/dbraw/zinc/19/53/72/395195372.db2.gz XEQAUYRUWGJTSZ-CYBMUJFWSA-N 1 0 296.758 2.175 20 5 CEBDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000180826062 395205873 /nfs/dbraw/zinc/20/58/73/395205873.db2.gz MBBRYFGUXIIPFT-VIFPVBQESA-N 1 0 260.297 2.477 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000185323479 395277807 /nfs/dbraw/zinc/27/78/07/395277807.db2.gz SBOGCQGDRBDURQ-AWEZNQCLSA-N 1 0 266.341 2.434 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058863 395258721 /nfs/dbraw/zinc/25/87/21/395258721.db2.gz KWPRTJKHNJBRJG-WCQYABFASA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1c(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420371771 395358825 /nfs/dbraw/zinc/35/88/25/395358825.db2.gz PRDOZRSADNQHGF-ITDIGPHOSA-N 1 0 277.368 2.379 20 5 CEBDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298455697 395359374 /nfs/dbraw/zinc/35/93/74/395359374.db2.gz WVVMYYIKXOCUCT-GXTWGEPZSA-N 1 0 296.367 2.455 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCO[C@H](C[NH3+])C1 ZINC000420394981 395369125 /nfs/dbraw/zinc/36/91/25/395369125.db2.gz SNYBWXXODTWIJX-TZMCWYRMSA-N 1 0 293.367 2.014 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000420642624 395399836 /nfs/dbraw/zinc/39/98/36/395399836.db2.gz WEPVBWMAWCKPBM-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC(O)C1 ZINC000190167062 395336841 /nfs/dbraw/zinc/33/68/41/395336841.db2.gz DKLDYISFGGWSMI-UHFFFAOYSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000420358258 395344962 /nfs/dbraw/zinc/34/49/62/395344962.db2.gz FETDREHUHNAWKM-UHIISALHSA-N 1 0 263.341 2.071 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000420361734 395348238 /nfs/dbraw/zinc/34/82/38/395348238.db2.gz IIGSCKVSMSAJDA-UHIISALHSA-N 1 0 263.341 2.071 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420361083 395348374 /nfs/dbraw/zinc/34/83/74/395348374.db2.gz HQJWKCOWNBUFHH-BFVZDQMLSA-N 1 0 281.331 2.210 20 5 CEBDRO [NH3+]CCCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566190865 395505326 /nfs/dbraw/zinc/50/53/26/395505326.db2.gz SVTXOXYBWFJDQG-UHFFFAOYSA-N 1 0 291.351 2.215 20 5 CEBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449591990 395556286 /nfs/dbraw/zinc/55/62/86/395556286.db2.gz XTLSZSMQXJLHDE-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569545032 395579734 /nfs/dbraw/zinc/57/97/34/395579734.db2.gz SNPLCIFGKLISIF-UHFFFAOYSA-N 1 0 260.297 2.361 20 5 CEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000451201898 395593690 /nfs/dbraw/zinc/59/36/90/395593690.db2.gz VVVHAGQTKSZCAI-LLVKDONJSA-N 1 0 295.314 2.276 20 5 CEBDRO COC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000045696083 400158050 /nfs/dbraw/zinc/15/80/50/400158050.db2.gz VKSQRIFSMDSDLR-SNVBAGLBSA-N 1 0 252.314 2.275 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135222198 400279346 /nfs/dbraw/zinc/27/93/46/400279346.db2.gz PFJMXWAFHYIUDX-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347264062 400370578 /nfs/dbraw/zinc/37/05/78/400370578.db2.gz NHSBMMADDUNGIA-FZMZJTMJSA-N 1 0 292.335 2.287 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000588081866 400614060 /nfs/dbraw/zinc/61/40/60/400614060.db2.gz FEVSCQVUPCNYNX-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1c(C[NH2+]C[C@@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000312886711 289281661 /nfs/dbraw/zinc/28/16/61/289281661.db2.gz WAUFSPFVKPMDJA-LLVKDONJSA-N 1 0 292.257 2.306 20 5 CEBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000221345507 153310656 /nfs/dbraw/zinc/31/06/56/153310656.db2.gz SKVARISTZUAVEB-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000228105440 153360235 /nfs/dbraw/zinc/36/02/35/153360235.db2.gz XXNLGYGBWJJMKD-BDAKNGLRSA-N 1 0 272.732 2.497 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CC[NH+](CC)CC1 ZINC000360891538 155395198 /nfs/dbraw/zinc/39/51/98/155395198.db2.gz KNWCDLCKDCZAAV-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352661880 154324733 /nfs/dbraw/zinc/32/47/33/154324733.db2.gz ZJHCDPTWEYZSOE-KGLIPLIRSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)CC1CC1 ZINC000352787918 154341219 /nfs/dbraw/zinc/34/12/19/154341219.db2.gz LLTDXYSEGNRDJR-HYXAFXHYSA-N 1 0 276.336 2.312 20 5 CEBDRO COc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363262995 156017918 /nfs/dbraw/zinc/01/79/18/156017918.db2.gz OGRADMBNEBNVPB-ZDUSSCGKSA-N 1 0 291.351 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1F ZINC000366989884 156111233 /nfs/dbraw/zinc/11/12/33/156111233.db2.gz QPODGRXKSYVXCG-UHFFFAOYSA-N 1 0 280.299 2.489 20 5 CEBDRO CC(C)COCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367050439 156120799 /nfs/dbraw/zinc/12/07/99/156120799.db2.gz PELHXESBBLPRRY-CYBMUJFWSA-N 1 0 296.371 2.101 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374996837 157036094 /nfs/dbraw/zinc/03/60/94/157036094.db2.gz IBZCFHSDEDVSAR-GFCCVEGCSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000375428973 157094795 /nfs/dbraw/zinc/09/47/95/157094795.db2.gz ORNHQASJRJDOEE-DOMZBBRYSA-N 1 0 292.335 2.131 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000174699474 165114527 /nfs/dbraw/zinc/11/45/27/165114527.db2.gz LEMMYYYLUOJELH-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO CCCO[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853457 165118771 /nfs/dbraw/zinc/11/87/71/165118771.db2.gz QVTCQLCGBLKSAX-CQSZACIVSA-N 1 0 296.371 2.072 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174880165 165120104 /nfs/dbraw/zinc/12/01/04/165120104.db2.gz XPQWDEVTFHUWCC-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO CC1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176262889 165160840 /nfs/dbraw/zinc/16/08/40/165160840.db2.gz KGLJXVKHEIDQSI-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248217 165160906 /nfs/dbraw/zinc/16/09/06/165160906.db2.gz JOXKBHSZZWVMRE-GFCCVEGCSA-N 1 0 266.345 2.303 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411938987 287152605 /nfs/dbraw/zinc/15/26/05/287152605.db2.gz NCQPMNKIMBIILY-NWDGAFQWSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000035121797 171992251 /nfs/dbraw/zinc/99/22/51/171992251.db2.gz COACURPOTYESOP-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037404435 173180702 /nfs/dbraw/zinc/18/07/02/173180702.db2.gz LASMIJJQDYNJLU-LLVKDONJSA-N 1 0 261.325 2.491 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCOC2)cs1 ZINC000038045173 174053375 /nfs/dbraw/zinc/05/33/75/174053375.db2.gz CTTMJVJTERPGTA-SECBINFHSA-N 1 0 256.327 2.173 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040596482 174349042 /nfs/dbraw/zinc/34/90/42/174349042.db2.gz QQUQEWPDYFWOMS-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000040596629 174349332 /nfs/dbraw/zinc/34/93/32/174349332.db2.gz PIKLKMLXKPORND-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044537724 175200092 /nfs/dbraw/zinc/20/00/92/175200092.db2.gz SDDPWQHBIWDKIT-SNVBAGLBSA-N 1 0 267.304 2.488 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685522 175231588 /nfs/dbraw/zinc/23/15/88/175231588.db2.gz IZRRMCSFMLSICC-YPMHNXCESA-N 1 0 275.352 2.482 20 5 CEBDRO Cc1cnc(NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078658805 177367454 /nfs/dbraw/zinc/36/74/54/177367454.db2.gz QWMQGABPHFYKRV-SNVBAGLBSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1nn(C)c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000078727458 177377458 /nfs/dbraw/zinc/37/74/58/177377458.db2.gz VSKYLKCCEMEOQX-UHFFFAOYSA-N 1 0 295.387 2.358 20 5 CEBDRO CC(C)(CCCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000221389931 419465348 /nfs/dbraw/zinc/46/53/48/419465348.db2.gz HATHOQOKPSXGFX-UHFFFAOYSA-N 1 0 266.341 2.483 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000449147949 260257794 /nfs/dbraw/zinc/25/77/94/260257794.db2.gz RTGCJJOVDRIVFZ-NHYWBVRUSA-N 1 0 278.352 2.276 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC1 ZINC000072722221 260278164 /nfs/dbraw/zinc/27/81/64/260278164.db2.gz LBQMEEUELAWHCM-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000150252325 270236425 /nfs/dbraw/zinc/23/64/25/270236425.db2.gz RIPIMCXLYNKHEC-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCCCO)cccc1[N+](=O)[O-] ZINC000194227104 270294447 /nfs/dbraw/zinc/29/44/47/270294447.db2.gz WCIZSTDABIOCEZ-LLVKDONJSA-N 1 0 252.314 2.326 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000315027783 270333517 /nfs/dbraw/zinc/33/35/17/270333517.db2.gz XWPINHCSRRTRHI-UHIISALHSA-N 1 0 291.351 2.020 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420281584 270503158 /nfs/dbraw/zinc/50/31/58/270503158.db2.gz MGXYLBYKXKJREZ-MNOVXSKESA-N 1 0 281.360 2.049 20 5 CEBDRO CC[C@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000422115309 270711572 /nfs/dbraw/zinc/71/15/72/270711572.db2.gz BYBDBLKEBHVMNR-JOHMGYAOSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422950622 270805027 /nfs/dbraw/zinc/80/50/27/270805027.db2.gz YOYIWWZKUUHNCM-STQMWFEESA-N 1 0 293.367 2.224 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000424197033 271030150 /nfs/dbraw/zinc/03/01/50/271030150.db2.gz BDSVXPSQEWEHGZ-DOFRTFSJSA-N 1 0 278.308 2.197 20 5 CEBDRO COC(=O)CC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000424279421 271039196 /nfs/dbraw/zinc/03/91/96/271039196.db2.gz FYFYCADXPGDNHT-UHFFFAOYSA-N 1 0 278.308 2.026 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000424336726 271048751 /nfs/dbraw/zinc/04/87/51/271048751.db2.gz YMCLMBHFNAKVDD-XKVFNRALSA-N 1 0 290.363 2.419 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000426527190 271223642 /nfs/dbraw/zinc/22/36/42/271223642.db2.gz ACMYHHQXDOVKQW-HNNXBMFYSA-N 1 0 294.351 2.141 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC(F)F ZINC000428639383 271284762 /nfs/dbraw/zinc/28/47/62/271284762.db2.gz JFKYWWKLSIPOFU-SNVBAGLBSA-N 1 0 274.267 2.009 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000347238618 273637527 /nfs/dbraw/zinc/63/75/27/273637527.db2.gz QLMAPDZKNVTOGM-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000295976080 273744244 /nfs/dbraw/zinc/74/42/44/273744244.db2.gz KTPVQZMDBHADLG-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cn1nccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192657530 274903930 /nfs/dbraw/zinc/90/39/30/274903930.db2.gz HLJPZNAJFGRPBG-OAHLLOKOSA-N 1 0 286.335 2.496 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592917 276427093 /nfs/dbraw/zinc/42/70/93/276427093.db2.gz QYNBFJOOHUEPDE-SMDDNHRTSA-N 1 0 264.325 2.333 20 5 CEBDRO CC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000176260044 276534590 /nfs/dbraw/zinc/53/45/90/276534590.db2.gz IQLUCIQZWDHYMB-GFCCVEGCSA-N 1 0 295.368 2.163 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000176350688 277248023 /nfs/dbraw/zinc/24/80/23/277248023.db2.gz PJYKPULZLJNSRL-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000341288113 277338187 /nfs/dbraw/zinc/33/81/87/277338187.db2.gz ZNZXZPAQOMFOSR-JSGCOSHPSA-N 1 0 264.325 2.500 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271862 277396197 /nfs/dbraw/zinc/39/61/97/277396197.db2.gz DEWVURCIFSPCRD-RYUDHWBXSA-N 1 0 292.335 2.459 20 5 CEBDRO Cc1c(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235672191 278587696 /nfs/dbraw/zinc/58/76/96/278587696.db2.gz XSRLPWLPMPAPLB-CMPLNLGQSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000268589355 278864208 /nfs/dbraw/zinc/86/42/08/278864208.db2.gz HDIOKOINMUUNJQ-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134339466 280018486 /nfs/dbraw/zinc/01/84/86/280018486.db2.gz XSFRHBYMRQKCOS-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CC(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226628 280039770 /nfs/dbraw/zinc/03/97/70/280039770.db2.gz GUNIRWPHNYKYDF-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135402120 280045405 /nfs/dbraw/zinc/04/54/05/280045405.db2.gz FEZLSOGNNYLRKI-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185715717 280126306 /nfs/dbraw/zinc/12/63/06/280126306.db2.gz BCQHYMJKAGBLRM-RKDXNWHRSA-N 1 0 286.353 2.334 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000249026196 280379931 /nfs/dbraw/zinc/37/99/31/280379931.db2.gz AJHWMVBFHMLOEF-IINYFYTJSA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261596200 280529839 /nfs/dbraw/zinc/52/98/39/280529839.db2.gz DGRUFAJIGSSAOK-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916926 280963872 /nfs/dbraw/zinc/96/38/72/280963872.db2.gz BXTBTJQPPBSYHH-MNOVXSKESA-N 1 0 263.341 2.162 20 5 CEBDRO COc1ccc(CN[C@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946833 280976316 /nfs/dbraw/zinc/97/63/16/280976316.db2.gz PJGJKVFGAAOSOH-STQMWFEESA-N 1 0 293.367 2.353 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464567 281048066 /nfs/dbraw/zinc/04/80/66/281048066.db2.gz BNRQJBSSFMPAPD-BXKDBHETSA-N 1 0 285.294 2.243 20 5 CEBDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464570 281048155 /nfs/dbraw/zinc/04/81/55/281048155.db2.gz BNRQJBSSFMPAPD-SKDRFNHKSA-N 1 0 285.294 2.243 20 5 CEBDRO Cc1c(CC(=O)N[C@@H](C)CCCC[NH3+])cccc1[N+](=O)[O-] ZINC000423651124 281074338 /nfs/dbraw/zinc/07/43/38/281074338.db2.gz NFPMFAXTHIIXFB-NSHDSACASA-N 1 0 293.367 2.079 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425287955 281185953 /nfs/dbraw/zinc/18/59/53/281185953.db2.gz SKMGMILWJLSCLK-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430636101 281271715 /nfs/dbraw/zinc/27/17/15/281271715.db2.gz XNUOUNSIIQTMGT-MFKMUULPSA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000433172694 281372461 /nfs/dbraw/zinc/37/24/61/281372461.db2.gz DFHYUMICDIBXRL-JOYOIKCWSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@@H](O)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000433181047 281374380 /nfs/dbraw/zinc/37/43/80/281374380.db2.gz IXEIGPASTVKTDQ-VVEJJEBESA-N 1 0 264.325 2.359 20 5 CEBDRO CC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446848884 281787299 /nfs/dbraw/zinc/78/72/99/281787299.db2.gz KAQAMVLPFDYBRN-UHFFFAOYSA-N 1 0 260.297 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnn1C ZINC000152193645 289080650 /nfs/dbraw/zinc/08/06/50/289080650.db2.gz CRPUIJPDDJQDEK-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO COCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153221039 289107852 /nfs/dbraw/zinc/10/78/52/289107852.db2.gz IVACAYPWCXRVPZ-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000158210852 289229460 /nfs/dbraw/zinc/22/94/60/289229460.db2.gz MGKKZQXNZGJWKY-BXUZGUMPSA-N 1 0 296.392 2.422 20 5 CEBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000459610002 290194204 /nfs/dbraw/zinc/19/42/04/290194204.db2.gz KDNLOUQMCIICHM-ZWNOBZJWSA-N 1 0 266.345 2.387 20 5 CEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459740015 290222829 /nfs/dbraw/zinc/22/28/29/290222829.db2.gz LDSVHVMUQIUWMW-UHFFFAOYSA-N 1 0 291.351 2.314 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000459763963 290231450 /nfs/dbraw/zinc/23/14/50/290231450.db2.gz AZGKAZURIYAHGO-YPMHNXCESA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459769547 290233715 /nfs/dbraw/zinc/23/37/15/290233715.db2.gz HBWWZDHJQAELOL-YPMHNXCESA-N 1 0 280.324 2.261 20 5 CEBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000471633888 290275039 /nfs/dbraw/zinc/27/50/39/290275039.db2.gz CWQGDROCRXMVTQ-AWEZNQCLSA-N 1 0 294.399 2.498 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000471799241 290283951 /nfs/dbraw/zinc/28/39/51/290283951.db2.gz QDDPQYQSOXKDPD-CBHWHFHUSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712048 298116996 /nfs/dbraw/zinc/11/69/96/298116996.db2.gz CQSBGJNHODXHIE-WFASDCNBSA-N 1 0 294.351 2.441 20 5 CEBDRO CCC(CC)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000534868980 298177837 /nfs/dbraw/zinc/17/78/37/298177837.db2.gz OYFJRFPTXVKITJ-UHFFFAOYSA-N 1 0 293.367 2.410 20 5 CEBDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000540426726 298264938 /nfs/dbraw/zinc/26/49/38/298264938.db2.gz GLPCSFVEFOGUPA-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000563126019 298739723 /nfs/dbraw/zinc/73/97/23/298739723.db2.gz QKGRVCDLTOTULO-MGPQQGTHSA-N 1 0 280.324 2.049 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000566475112 298991820 /nfs/dbraw/zinc/99/18/20/298991820.db2.gz KBBATUSNUFUYLO-AWEZNQCLSA-N 1 0 286.335 2.414 20 5 CEBDRO COC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000566706228 299016281 /nfs/dbraw/zinc/01/62/81/299016281.db2.gz VOEJIDBOLCIBPU-UHFFFAOYSA-N 1 0 289.335 2.386 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353679892 304807203 /nfs/dbraw/zinc/80/72/03/304807203.db2.gz HSLAGXMJHLURCV-MJQCEFOHSA-N 1 0 287.363 2.292 20 5 CEBDRO O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351081509 312971757 /nfs/dbraw/zinc/97/17/57/312971757.db2.gz PVDWDPFLGJLYNX-UHFFFAOYSA-N 1 0 296.246 2.288 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000515754502 313077039 /nfs/dbraw/zinc/07/70/39/313077039.db2.gz ZAUPJMVUBJNDKO-NWDGAFQWSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]1C[C@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754397 313573424 /nfs/dbraw/zinc/57/34/24/313573424.db2.gz DUFXZKAFDIPMLD-QWRGUYRKSA-N 1 0 277.324 2.406 20 5 CEBDRO CC[C@@H]1C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000563003220 313712412 /nfs/dbraw/zinc/71/24/12/313712412.db2.gz PMPGDWFHAAPXJT-ZYHUDNBSSA-N 1 0 277.324 2.312 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000567882093 313915400 /nfs/dbraw/zinc/91/54/00/313915400.db2.gz DHUZQRXEKLVBPO-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000576376434 314270005 /nfs/dbraw/zinc/27/00/05/314270005.db2.gz JIVCTKNXFVNIGR-UHFFFAOYSA-N 1 0 291.351 2.183 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577109701 314342672 /nfs/dbraw/zinc/34/26/72/314342672.db2.gz JWFJHPAZLVHKPU-IUCAKERBSA-N 1 0 299.758 2.033 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577369779 314368890 /nfs/dbraw/zinc/36/88/90/314368890.db2.gz LYCRNRMKLFAKLE-OAHLLOKOSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000385023249 321857242 /nfs/dbraw/zinc/85/72/42/321857242.db2.gz OUENDTXGAVWYOA-SECBINFHSA-N 1 0 270.304 2.373 20 5 CEBDRO COCC(COC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000388404569 321885730 /nfs/dbraw/zinc/88/57/30/321885730.db2.gz RAOUHXRBSWUKRE-NSHDSACASA-N 1 0 282.340 2.215 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000580782060 322344142 /nfs/dbraw/zinc/34/41/42/322344142.db2.gz SDOVGRLXBZICCY-DGCLKSJQSA-N 1 0 263.341 2.215 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000582002564 322438255 /nfs/dbraw/zinc/43/82/55/322438255.db2.gz SHWFSNVGJBFIAE-PWSUYJOCSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000584226077 327068470 /nfs/dbraw/zinc/06/84/70/327068470.db2.gz JWWQAVXTQBUGOB-CABCVRRESA-N 1 0 293.367 2.094 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297643 519776151 /nfs/dbraw/zinc/77/61/51/519776151.db2.gz JFLWAZZNHAMREK-LBPRGKRZSA-N 1 0 266.345 2.378 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996092 533997750 /nfs/dbraw/zinc/99/77/50/533997750.db2.gz RIRKPWYDIGRTNG-SGMGOOAPSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223966844 535808791 /nfs/dbraw/zinc/80/87/91/535808791.db2.gz KRMVUMLBTQTROA-TZMCWYRMSA-N 1 0 282.340 2.033 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183700414 518917535 /nfs/dbraw/zinc/91/75/35/518917535.db2.gz YOUKPXZUVNNTKV-UONOGXRCSA-N 1 0 296.367 2.015 20 5 CEBDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000181463141 523428779 /nfs/dbraw/zinc/42/87/79/523428779.db2.gz VWKFFFZWJWWETH-SNVBAGLBSA-N 1 0 293.323 2.004 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726552 523981745 /nfs/dbraw/zinc/98/17/45/523981745.db2.gz LMYQXEQEFZKEOU-JSGCOSHPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049502231 524335840 /nfs/dbraw/zinc/33/58/40/524335840.db2.gz XXTBBFIHAAKMQQ-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913543 524755059 /nfs/dbraw/zinc/75/50/59/524755059.db2.gz LFGNUIHIRJHZMP-VIFPVBQESA-N 1 0 294.311 2.398 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000052926255 525458314 /nfs/dbraw/zinc/45/83/14/525458314.db2.gz FQDVIAWEHURWPM-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C(C)(C)C ZINC000183672505 525461203 /nfs/dbraw/zinc/46/12/03/525461203.db2.gz YCUUNYPGJKHEAW-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(CO)CC1 ZINC000184065646 525564531 /nfs/dbraw/zinc/56/45/31/525564531.db2.gz ZNKLUUCFIPYRSM-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363384018 526751671 /nfs/dbraw/zinc/75/16/71/526751671.db2.gz FBKGTPKXCLLONB-CYBMUJFWSA-N 1 0 289.335 2.408 20 5 CEBDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000052047911 526827025 /nfs/dbraw/zinc/82/70/25/526827025.db2.gz XXRNVBYQSFIREK-UHFFFAOYSA-N 1 0 276.340 2.194 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000363451727 527386182 /nfs/dbraw/zinc/38/61/82/527386182.db2.gz WWONRQGRBGWIGS-UONOGXRCSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000366011598 527407549 /nfs/dbraw/zinc/40/75/49/527407549.db2.gz NPLFCBNUQGMEHT-UHFFFAOYSA-N 1 0 293.352 2.085 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC23CCCC3)c1 ZINC000364824078 527414778 /nfs/dbraw/zinc/41/47/78/527414778.db2.gz XQEGSOSYXBGEBD-UHFFFAOYSA-N 1 0 264.329 2.200 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977109 527773021 /nfs/dbraw/zinc/77/30/21/527773021.db2.gz GJPMJXOYMBGYAB-BYCMXARLSA-N 1 0 294.351 2.439 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000730089031 574501061 /nfs/dbraw/zinc/50/10/61/574501061.db2.gz MFSIEPRSWPBVBY-ZDUSSCGKSA-N 1 0 280.324 2.224 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000746653126 574509344 /nfs/dbraw/zinc/50/93/44/574509344.db2.gz JEUNFUCVZMGZSS-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1 ZINC000124023657 574807033 /nfs/dbraw/zinc/80/70/33/574807033.db2.gz XONVNRMLKNLODW-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO Cc1cc(N2CCC[C@@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000746389253 575155590 /nfs/dbraw/zinc/15/55/90/575155590.db2.gz WGXBPOOXUJKGRG-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000747958733 575177174 /nfs/dbraw/zinc/17/71/74/575177174.db2.gz BDLQNYKXOIIQLR-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000751947704 575302077 /nfs/dbraw/zinc/30/20/77/575302077.db2.gz UEOYDOVETPJPQJ-ZDUSSCGKSA-N 1 0 290.323 2.013 20 5 CEBDRO C[C@@H](CCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000097439856 622665603 /nfs/dbraw/zinc/66/56/03/622665603.db2.gz NHWDJAHLLDVEIC-VIFPVBQESA-N 1 0 272.732 2.356 20 5 CEBDRO CSCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932590827 622975414 /nfs/dbraw/zinc/97/54/14/622975414.db2.gz QRIZDYWTRXEHCU-UHFFFAOYSA-N 1 0 298.412 2.175 20 5 CEBDRO CC[NH+](CC)Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813102581 623020416 /nfs/dbraw/zinc/02/04/16/623020416.db2.gz SIVJACXUZFBNFV-LBPRGKRZSA-N 1 0 294.351 2.350 20 5 CEBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000891583453 623803653 /nfs/dbraw/zinc/80/36/53/623803653.db2.gz ZTHRKQRBSRNWOR-UHFFFAOYSA-N 1 0 294.355 2.285 20 5 CEBDRO C[NH+](C)C1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891779439 623962222 /nfs/dbraw/zinc/96/22/22/623962222.db2.gz KTWIOYJTOJEHRP-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1OC ZINC000892283205 624626165 /nfs/dbraw/zinc/62/61/65/624626165.db2.gz CHNGOIFVOIFEFG-JTQLQIEISA-N 1 0 282.344 2.141 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000820634597 634482576 /nfs/dbraw/zinc/48/25/76/634482576.db2.gz TXPBVLRKQCYWKT-GFCCVEGCSA-N 1 0 291.351 2.176 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000892824005 627794043 /nfs/dbraw/zinc/79/40/43/627794043.db2.gz PPDWVTZHFMJBTB-GHMZBOCLSA-N 1 0 294.355 2.283 20 5 CEBDRO COCC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000821332293 634685974 /nfs/dbraw/zinc/68/59/74/634685974.db2.gz NZKYGBPLJVTRLB-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000893857495 629018674 /nfs/dbraw/zinc/01/86/74/629018674.db2.gz POLOVDRNLDGCMH-VIFPVBQESA-N 1 0 292.314 2.066 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402153 634711684 /nfs/dbraw/zinc/71/16/84/634711684.db2.gz NJWLHGKQPPGQGT-CMPLNLGQSA-N 1 0 278.308 2.259 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000894366970 629396993 /nfs/dbraw/zinc/39/69/93/629396993.db2.gz PQYYNEJPRRIAQF-ZDUSSCGKSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@]12C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000902616109 634745661 /nfs/dbraw/zinc/74/56/61/634745661.db2.gz QDWUHUUAZWDPRL-UZGDPCLZSA-N 1 0 276.340 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000894796880 629645514 /nfs/dbraw/zinc/64/55/14/629645514.db2.gz GNVBUPYGOQJMPG-GASCZTMLSA-N 1 0 290.367 2.076 20 5 CEBDRO C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000895098857 629892044 /nfs/dbraw/zinc/89/20/44/629892044.db2.gz CIPOLPSEPYXOLL-GFCCVEGCSA-N 1 0 278.356 2.156 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)CCF ZINC000895177545 630006386 /nfs/dbraw/zinc/00/63/86/630006386.db2.gz GQWOMFOTKKWWSO-JTQLQIEISA-N 1 0 276.695 2.058 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895338227 630122166 /nfs/dbraw/zinc/12/21/66/630122166.db2.gz PNRCMPNRDLKXCA-JTQLQIEISA-N 1 0 264.281 2.117 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000895434063 630182863 /nfs/dbraw/zinc/18/28/63/630182863.db2.gz OOQQOIJCVIQWKN-PEGIJTEDSA-N 1 0 278.308 2.197 20 5 CEBDRO C[C@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000895734957 630324887 /nfs/dbraw/zinc/32/48/87/630324887.db2.gz BGPVCLBBWBRRSA-JQWIXIFHSA-N 1 0 290.367 2.373 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000895771292 630339529 /nfs/dbraw/zinc/33/95/29/630339529.db2.gz JTGPMUSRYSFJME-SECBINFHSA-N 1 0 287.266 2.312 20 5 CEBDRO CN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896593536 630608431 /nfs/dbraw/zinc/60/84/31/630608431.db2.gz BLKQSGRTNPJOTA-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737323 630653420 /nfs/dbraw/zinc/65/34/20/630653420.db2.gz QYGPNAKVWNTXPM-KWQFWETISA-N 1 0 270.716 2.373 20 5 CEBDRO Cc1cccc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000896913910 630797085 /nfs/dbraw/zinc/79/70/85/630797085.db2.gz YDYLFDOLUICRJH-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000801526817 631283467 /nfs/dbraw/zinc/28/34/67/631283467.db2.gz XXSFVLOFCQMGAR-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000897419825 631338139 /nfs/dbraw/zinc/33/81/39/631338139.db2.gz VFYZBKFKSNEODX-UHFFFAOYSA-N 1 0 266.345 2.014 20 5 CEBDRO C[C@@H](C[NH2+]C1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897458553 631529044 /nfs/dbraw/zinc/52/90/44/631529044.db2.gz AXJINPSBNOCYMN-IDOXEUFTSA-N 1 0 296.392 2.199 20 5 CEBDRO CCn1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897464836 631531860 /nfs/dbraw/zinc/53/18/60/631531860.db2.gz PEVGJAJZKOLSAE-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465984 631532661 /nfs/dbraw/zinc/53/26/61/631532661.db2.gz LYPKDWLVIXDSAP-MBNYWOFBSA-N 1 0 277.368 2.238 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420857 635633486 /nfs/dbraw/zinc/63/34/86/635633486.db2.gz IPVJGFZDPIBGHM-QWZUFBECSA-N 1 0 287.363 2.149 20 5 CEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCCC1 ZINC000804332476 631665249 /nfs/dbraw/zinc/66/52/49/631665249.db2.gz ZORHIAVHXIJSAM-UHFFFAOYSA-N 1 0 294.311 2.401 20 5 CEBDRO CCN(CCC[NH+](C)C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804646801 631717682 /nfs/dbraw/zinc/71/76/82/631717682.db2.gz QWQTZTDFVGKLKN-UHFFFAOYSA-N 1 0 296.327 2.281 20 5 CEBDRO Cc1ncccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735929 632134541 /nfs/dbraw/zinc/13/45/41/632134541.db2.gz AIXTYUUITLLZSP-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1ccncc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735026 632134759 /nfs/dbraw/zinc/13/47/59/632134759.db2.gz QFTQCMHOVOOPRK-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000841056732 632359233 /nfs/dbraw/zinc/35/92/33/632359233.db2.gz CGXWXJFLANGTEN-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064488 632380924 /nfs/dbraw/zinc/38/09/24/632380924.db2.gz RDCOXVGXLSPNDU-SKDRFNHKSA-N 1 0 283.759 2.336 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000041123346 632383295 /nfs/dbraw/zinc/38/32/95/632383295.db2.gz QUIPWOOIGMDPGS-JTQLQIEISA-N 1 0 262.269 2.301 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@H]1CCOC1 ZINC000927084449 632453030 /nfs/dbraw/zinc/45/30/30/632453030.db2.gz MJVXYGVVWRZITC-OCCSQVGLSA-N 1 0 294.351 2.359 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCOc1ccc2ccccc2c1 ZINC000905169145 635867845 /nfs/dbraw/zinc/86/78/45/635867845.db2.gz NSZYCSIKAAKXPA-UHFFFAOYSA-N 1 0 274.320 2.475 20 5 CEBDRO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585711 633034361 /nfs/dbraw/zinc/03/43/61/633034361.db2.gz PZCXKSDFPBTWCS-NWDGAFQWSA-N 1 0 292.383 2.169 20 5 CEBDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587305 633036078 /nfs/dbraw/zinc/03/60/78/633036078.db2.gz GKFBLLZCABEQPS-YGRLFVJLSA-N 1 0 279.340 2.397 20 5 CEBDRO Cc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000818958640 634016068 /nfs/dbraw/zinc/01/60/68/634016068.db2.gz TUAVODHOYPMGTO-HNNXBMFYSA-N 1 0 290.319 2.362 20 5 CEBDRO CC(C)CCOCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818982138 634028557 /nfs/dbraw/zinc/02/85/57/634028557.db2.gz GQHZKBWYBFNITH-OAHLLOKOSA-N 1 0 296.367 2.281 20 5 CEBDRO CC1(C)C[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819061447 634056651 /nfs/dbraw/zinc/05/66/51/634056651.db2.gz VWNGEVOJXJXHAM-WCQYABFASA-N 1 0 264.325 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc(C[C@H]3CCC[NH2+]C3)on2)o1 ZINC000901398714 634091309 /nfs/dbraw/zinc/09/13/09/634091309.db2.gz HAWACPLBIBOZOP-SECBINFHSA-N 1 0 277.280 2.385 20 5 CEBDRO CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819352575 634151133 /nfs/dbraw/zinc/15/11/33/634151133.db2.gz PCEDLHVJQHUHIG-VQISRLSMSA-N 1 0 294.351 2.031 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccco2)c1 ZINC000819373748 634160526 /nfs/dbraw/zinc/16/05/26/634160526.db2.gz CHHXUEYVOQOJKZ-MGPQQGTHSA-N 1 0 288.303 2.367 20 5 CEBDRO C[N@@H+]1CC[C@H](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000901938411 634366239 /nfs/dbraw/zinc/36/62/39/634366239.db2.gz UQXIAGDCKTVYDC-SNVBAGLBSA-N 1 0 288.307 2.139 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000822807982 635000034 /nfs/dbraw/zinc/00/00/34/635000034.db2.gz MVCJKZYJWRSNIS-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903182253 635001574 /nfs/dbraw/zinc/00/15/74/635001574.db2.gz BIZKURCZFPHDRC-CUOATXAZSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903224351 635024376 /nfs/dbraw/zinc/02/43/76/635024376.db2.gz UWQORIMQBSRMPQ-FIXISWKDSA-N 1 0 293.367 2.347 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288578 635052060 /nfs/dbraw/zinc/05/20/60/635052060.db2.gz ZDLGKADRVAYREL-XXSPCDMZSA-N 1 0 292.335 2.443 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1COC[C@@H]1C ZINC000903393045 635089505 /nfs/dbraw/zinc/08/95/05/635089505.db2.gz FCAAAGHYUPNGDG-CWSCBRNRSA-N 1 0 282.315 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000903393777 635089923 /nfs/dbraw/zinc/08/99/23/635089923.db2.gz STQYFPZVBHOWMX-OUJBWJOFSA-N 1 0 280.324 2.289 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269684 635119286 /nfs/dbraw/zinc/11/92/86/635119286.db2.gz JVJQXRCALFRLPT-HTQZYQBOSA-N 1 0 278.268 2.298 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903797933 635275945 /nfs/dbraw/zinc/27/59/45/635275945.db2.gz LLQSIILYPSHEIK-DOMZBBRYSA-N 1 0 293.342 2.437 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000904462261 635635481 /nfs/dbraw/zinc/63/54/81/635635481.db2.gz PJCDMRXKVRVCNL-LBPRGKRZSA-N 1 0 283.759 2.336 20 5 CEBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCCS1 ZINC000905040322 635782697 /nfs/dbraw/zinc/78/26/97/635782697.db2.gz BCRUWROHVCJGJX-LLVKDONJSA-N 1 0 294.380 2.104 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000905084495 635799572 /nfs/dbraw/zinc/79/95/72/635799572.db2.gz ZXOFWKARBGJHCQ-UHFFFAOYSA-N 1 0 264.325 2.374 20 5 CEBDRO CC1CC[NH+](Cc2cccc(CNCC[N+](=O)[O-])c2)CC1 ZINC000905089960 635802619 /nfs/dbraw/zinc/80/26/19/635802619.db2.gz QAQSOZGEMIZRGH-UHFFFAOYSA-N 1 0 291.395 2.285 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000905397216 636255437 /nfs/dbraw/zinc/25/54/37/636255437.db2.gz ANJOXEJAPWETEU-INIZCTEOSA-N 1 0 291.395 2.298 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000905409060 636261604 /nfs/dbraw/zinc/26/16/04/636261604.db2.gz FJNHJSABVVIWPB-BXUZGUMPSA-N 1 0 262.309 2.184 20 5 CEBDRO C[C@@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827585878 636359793 /nfs/dbraw/zinc/35/97/93/636359793.db2.gz QWPWPNUXSVDEMP-MRVPVSSYSA-N 1 0 270.716 2.251 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876519302 650300252 /nfs/dbraw/zinc/30/02/52/650300252.db2.gz CMFVUUQYXSSQHC-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830184837 637001689 /nfs/dbraw/zinc/00/16/89/637001689.db2.gz PWVHDIWNZVAAQB-UHFFFAOYSA-N 1 0 299.415 2.156 20 5 CEBDRO O=C1OCC[C@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539190 637365526 /nfs/dbraw/zinc/36/55/26/637365526.db2.gz OJSMMFDOTMWRIE-GXTWGEPZSA-N 1 0 290.319 2.090 20 5 CEBDRO O=C1OCC[C@@H]1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539192 637365641 /nfs/dbraw/zinc/36/56/41/637365641.db2.gz OJSMMFDOTMWRIE-OCCSQVGLSA-N 1 0 290.319 2.090 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616054 637621594 /nfs/dbraw/zinc/62/15/94/637621594.db2.gz QAHPKVLXAJKKIB-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1Cl ZINC000835079978 638051364 /nfs/dbraw/zinc/05/13/64/638051364.db2.gz ICHIKWNCGBTXHF-ZYHUDNBSSA-N 1 0 270.716 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC[C@H](C)O ZINC000876746746 650417169 /nfs/dbraw/zinc/41/71/69/650417169.db2.gz VULYTYBJJDWMEG-NSHDSACASA-N 1 0 266.341 2.414 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184220 638599370 /nfs/dbraw/zinc/59/93/70/638599370.db2.gz VFDTXUBOTHUXTE-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044725812 639358767 /nfs/dbraw/zinc/35/87/67/639358767.db2.gz HKWJFLXSKYMBPJ-VIFPVBQESA-N 1 0 265.288 2.383 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224191810 639443245 /nfs/dbraw/zinc/44/32/45/639443245.db2.gz YNNGFHQQZZYOEF-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225589130 639508391 /nfs/dbraw/zinc/50/83/91/639508391.db2.gz XQNIDEVBKSDLFV-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000228082605 639614120 /nfs/dbraw/zinc/61/41/20/639614120.db2.gz VOYNEQAAHSPRAK-BDAKNGLRSA-N 1 0 272.732 2.497 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000228559807 639644098 /nfs/dbraw/zinc/64/40/98/639644098.db2.gz YRHXCBGYRMURSI-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000228559960 639644275 /nfs/dbraw/zinc/64/42/75/639644275.db2.gz DHKOOBRAAWESOO-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841103506 639673667 /nfs/dbraw/zinc/67/36/67/639673667.db2.gz OWZGVVSRODGKGL-SNVBAGLBSA-N 1 0 298.730 2.107 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000841232278 639713869 /nfs/dbraw/zinc/71/38/69/639713869.db2.gz CJYWNXZFBSMABT-VIFPVBQESA-N 1 0 298.730 2.107 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171945773 639737338 /nfs/dbraw/zinc/73/73/38/639737338.db2.gz SYXJOFCBFVJVNZ-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO C[Si](C)(C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358643 639760602 /nfs/dbraw/zinc/76/06/02/639760602.db2.gz ZDEYNPXGOVNPHD-LLVKDONJSA-N 1 0 294.431 2.353 20 5 CEBDRO CCCC[C@@H](COC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877049068 650547238 /nfs/dbraw/zinc/54/72/38/650547238.db2.gz AMMPNVFRWTVFOS-HIFPTAJRSA-N 1 0 296.371 2.290 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000843049395 640253765 /nfs/dbraw/zinc/25/37/65/640253765.db2.gz MWGXPYHMIPALKU-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000843052802 640256597 /nfs/dbraw/zinc/25/65/97/640256597.db2.gz WJSGRPMMUODONZ-RNCFNFMXSA-N 1 0 283.759 2.417 20 5 CEBDRO CCC[C@@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843099616 640280751 /nfs/dbraw/zinc/28/07/51/640280751.db2.gz QUBSXMNHFRESDU-WFASDCNBSA-N 1 0 296.367 2.017 20 5 CEBDRO CC(C)(C)c1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843130714 640296994 /nfs/dbraw/zinc/29/69/94/640296994.db2.gz HWJZNASJEQIHJY-UHFFFAOYSA-N 1 0 290.323 2.444 20 5 CEBDRO Cc1cc(-c2noc(C(C)(C)C[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000843238919 640365595 /nfs/dbraw/zinc/36/55/95/640365595.db2.gz ACPQUMWEYMEDQZ-UHFFFAOYSA-N 1 0 276.296 2.190 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238803 640365910 /nfs/dbraw/zinc/36/59/10/640365910.db2.gz ZTNBEJUWSFXPPI-QMMMGPOBSA-N 1 0 276.296 2.276 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107158 650576026 /nfs/dbraw/zinc/57/60/26/650576026.db2.gz YHDDBICHOCBSFC-SECBINFHSA-N 1 0 297.380 2.126 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000843797903 640528880 /nfs/dbraw/zinc/52/88/80/640528880.db2.gz OWMMEJMVHBGTBJ-VIFPVBQESA-N 1 0 297.330 2.112 20 5 CEBDRO CN(CC[NH+](C)C)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845498853 640987429 /nfs/dbraw/zinc/98/74/29/640987429.db2.gz KLOXCXLJBUGAGA-UHFFFAOYSA-N 1 0 275.711 2.385 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845816382 641101287 /nfs/dbraw/zinc/10/12/87/641101287.db2.gz UPXBXUFTJHFLKP-NEPJUHHUSA-N 1 0 292.335 2.400 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)CCF ZINC000846097862 641181154 /nfs/dbraw/zinc/18/11/54/641181154.db2.gz XCLOSTYKGMDOBZ-JTQLQIEISA-N 1 0 276.695 2.058 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000180633052 641471546 /nfs/dbraw/zinc/47/15/46/641471546.db2.gz MUXGYRMTOZCEAP-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000070076062 641629937 /nfs/dbraw/zinc/62/99/37/641629937.db2.gz MSUIBFDIPVKHMV-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000847829387 641797684 /nfs/dbraw/zinc/79/76/84/641797684.db2.gz YHHAYXUHWORQMU-LLVKDONJSA-N 1 0 278.308 2.093 20 5 CEBDRO Cn1nccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848545374 642046068 /nfs/dbraw/zinc/04/60/68/642046068.db2.gz DHHCNVIRZAKKOH-AWEZNQCLSA-N 1 0 286.335 2.148 20 5 CEBDRO CC1(C)CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877439501 650723126 /nfs/dbraw/zinc/72/31/26/650723126.db2.gz NDVRXPVCAAKTQC-GCZXYKMCSA-N 1 0 294.355 2.042 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1OC ZINC000877475198 650738579 /nfs/dbraw/zinc/73/85/79/650738579.db2.gz NUVSIWZLWWBJJE-GASCZTMLSA-N 1 0 294.351 2.057 20 5 CEBDRO COC1CC(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000849327571 642331747 /nfs/dbraw/zinc/33/17/47/642331747.db2.gz OLLPIWRCGKFOEG-WDIPEOLASA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378199 642689785 /nfs/dbraw/zinc/68/97/85/642689785.db2.gz XLEUYKPQTMUZIC-OLZOCXBDSA-N 1 0 298.289 2.499 20 5 CEBDRO COC(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000851896616 643214077 /nfs/dbraw/zinc/21/40/77/643214077.db2.gz KOYQDFPUUVXTJS-JTQLQIEISA-N 1 0 268.313 2.254 20 5 CEBDRO COC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000086699734 643380622 /nfs/dbraw/zinc/38/06/22/643380622.db2.gz BSSUOZIMQLYAMH-LBPRGKRZSA-N 1 0 270.304 2.495 20 5 CEBDRO Cc1ccc(NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC000922935356 643463811 /nfs/dbraw/zinc/46/38/11/643463811.db2.gz URZGTYKYUMTLQM-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000923441122 643718188 /nfs/dbraw/zinc/71/81/88/643718188.db2.gz HYOQPRHOJHGNGT-RWMBFGLXSA-N 1 0 293.367 2.044 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877722111 650870417 /nfs/dbraw/zinc/87/04/17/650870417.db2.gz JKKQWFXZJYMPJR-UHFFFAOYSA-N 1 0 298.726 2.289 20 5 CEBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150666 643999173 /nfs/dbraw/zinc/99/91/73/643999173.db2.gz SYFCPKLWIOBEML-ZCFIWIBFSA-N 1 0 268.298 2.377 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000788138314 644194986 /nfs/dbraw/zinc/19/49/86/644194986.db2.gz ZOVPWOYCUBKMBM-RYUDHWBXSA-N 1 0 290.319 2.378 20 5 CEBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857088052 644814217 /nfs/dbraw/zinc/81/42/17/644814217.db2.gz YYZIMFGLSOFXMO-BXUZGUMPSA-N 1 0 279.315 2.047 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073259 644983058 /nfs/dbraw/zinc/98/30/58/644983058.db2.gz VOXUXDHOQUACJO-UONOGXRCSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000761532876 645294676 /nfs/dbraw/zinc/29/46/76/645294676.db2.gz OXVMMSAEIJGZPU-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ncccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578520 646761663 /nfs/dbraw/zinc/76/16/63/646761663.db2.gz MHZSMSOQNZXEGR-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)c1 ZINC000775700626 646982645 /nfs/dbraw/zinc/98/26/45/646982645.db2.gz LBCDZRRBHVIRCR-UHFFFAOYSA-N 1 0 295.314 2.416 20 5 CEBDRO Cc1c(CNC(=[NH2+])NCCC2CC2)cccc1[N+](=O)[O-] ZINC000864464013 647018806 /nfs/dbraw/zinc/01/88/06/647018806.db2.gz OTRNUZPPKVJTPH-UHFFFAOYSA-N 1 0 276.340 2.317 20 5 CEBDRO C[N@@H+](Cc1cccnc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593865 647076510 /nfs/dbraw/zinc/07/65/10/647076510.db2.gz OAFCXQCNYFIHTA-OAHLLOKOSA-N 1 0 287.319 2.155 20 5 CEBDRO Cc1cccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865997338 647567114 /nfs/dbraw/zinc/56/71/14/647567114.db2.gz ZRQBIGAQZVHTBR-LBPRGKRZSA-N 1 0 293.367 2.160 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000866266099 647705206 /nfs/dbraw/zinc/70/52/06/647705206.db2.gz WTLZVCVJLIJGRV-SNVBAGLBSA-N 1 0 282.315 2.291 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267946 647706071 /nfs/dbraw/zinc/70/60/71/647706071.db2.gz JIGPHFNUTHHWFP-IINYFYTJSA-N 1 0 284.331 2.271 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000866344172 647746645 /nfs/dbraw/zinc/74/66/45/647746645.db2.gz UNJZFPVULNCLAJ-SNVBAGLBSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000866382363 647765832 /nfs/dbraw/zinc/76/58/32/647765832.db2.gz WSBAAYUHPNQLOK-NRUUGDAUSA-N 1 0 282.315 2.432 20 5 CEBDRO Cc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000866666971 647861684 /nfs/dbraw/zinc/86/16/84/647861684.db2.gz YDPMMBYXLKGNNV-TYNCELHUSA-N 1 0 277.368 2.379 20 5 CEBDRO Cc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000870963214 648963742 /nfs/dbraw/zinc/96/37/42/648963742.db2.gz WBYNFJMYTOCTSC-QWHCGFSZSA-N 1 0 291.351 2.037 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034853 649248587 /nfs/dbraw/zinc/24/85/87/649248587.db2.gz LQZRNLUAWSITIU-JOYOIKCWSA-N 1 0 270.304 2.401 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000873056074 649545355 /nfs/dbraw/zinc/54/53/55/649545355.db2.gz UCOQKLORRFBYKI-ZDUSSCGKSA-N 1 0 286.335 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN(C)C ZINC000873127390 649564697 /nfs/dbraw/zinc/56/46/97/649564697.db2.gz QSDIMBYGGHPQMQ-NSHDSACASA-N 1 0 265.357 2.251 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000873130381 649565248 /nfs/dbraw/zinc/56/52/48/649565248.db2.gz CVFXWJJDGXXPQQ-JQWIXIFHSA-N 1 0 288.294 2.397 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000873134684 649566466 /nfs/dbraw/zinc/56/64/66/649566466.db2.gz STTRAGJLRRVXLI-ZYHUDNBSSA-N 1 0 264.325 2.479 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879570016 651323715 /nfs/dbraw/zinc/32/37/15/651323715.db2.gz DHXJMYOIQFZUPE-FZMZJTMJSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879581083 651326314 /nfs/dbraw/zinc/32/63/14/651326314.db2.gz WGBKNYRZZSCKSF-TZMCWYRMSA-N 1 0 293.342 2.260 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](O)CC(C)(C)C1 ZINC000879614949 651330037 /nfs/dbraw/zinc/33/00/37/651330037.db2.gz CMSLYUBONIPGTR-ZDUSSCGKSA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000880131374 651387766 /nfs/dbraw/zinc/38/77/66/651387766.db2.gz KDXYEXYFNRQDJN-GJZGRUSLSA-N 1 0 275.352 2.263 20 5 CEBDRO O=C(CC[NH+]1CCC(F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000880241285 651407371 /nfs/dbraw/zinc/40/73/71/651407371.db2.gz VBMPPHMBBDUBPG-UHFFFAOYSA-N 1 0 295.314 2.357 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CC[S@](C)=O)cccc1[N+](=O)[O-] ZINC000128391575 651433244 /nfs/dbraw/zinc/43/32/44/651433244.db2.gz MCLCMSZRKKGGAY-APBUJDDRSA-N 1 0 284.381 2.150 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130871073 652350341 /nfs/dbraw/zinc/35/03/41/652350341.db2.gz YFPOXZRECGYKJX-WYRIXSBYSA-N 1 0 284.381 2.322 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)CC(F)F ZINC000883104118 652364715 /nfs/dbraw/zinc/36/47/15/652364715.db2.gz PQWIHPYVLFEKMR-JTQLQIEISA-N 1 0 288.294 2.317 20 5 CEBDRO Cc1ccc(CN[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441358 652471343 /nfs/dbraw/zinc/47/13/43/652471343.db2.gz MFFVGHKPHAYZTL-STQMWFEESA-N 1 0 263.341 2.119 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000883449452 652473909 /nfs/dbraw/zinc/47/39/09/652473909.db2.gz RJPNETKKCISYTL-LLVKDONJSA-N 1 0 281.331 2.308 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133239237 652614556 /nfs/dbraw/zinc/61/45/56/652614556.db2.gz NBACQXHMNZIDMV-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000884078698 652697514 /nfs/dbraw/zinc/69/75/14/652697514.db2.gz SVRRCQZHKFOEIN-MFKMUULPSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)([NH3+])CC2)c1C ZINC000884266382 652773560 /nfs/dbraw/zinc/77/35/60/652773560.db2.gz QXINKFOGPXCVML-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])c1C ZINC000884292423 652782844 /nfs/dbraw/zinc/78/28/44/652782844.db2.gz ZEEULFKUHQVKHY-NSHDSACASA-N 1 0 293.367 2.459 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000408169517 719208908 /nfs/dbraw/zinc/20/89/08/719208908.db2.gz OCLVZJAEQVEYPR-RYUDHWBXSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000408171529 721892346 /nfs/dbraw/zinc/89/23/46/721892346.db2.gz KMMRXCBSIWUPLB-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO CC[NH+]1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227481315 805943978 /nfs/dbraw/zinc/94/39/78/805943978.db2.gz SDXCZYWZMVJLBI-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO Cc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000714071744 806011736 /nfs/dbraw/zinc/01/17/36/806011736.db2.gz YUKLKIUBTLBJRS-GFCCVEGCSA-N 1 0 250.298 2.172 20 5 CEBDRO CN(c1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC000714239823 806088479 /nfs/dbraw/zinc/08/84/79/806088479.db2.gz JFMNRTQVYIKQRL-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC(F)(F)C2)cc1 ZINC000697457877 806390984 /nfs/dbraw/zinc/39/09/84/806390984.db2.gz ZHGWGJDLFSCFDK-NSHDSACASA-N 1 0 272.251 2.016 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160371875 806868506 /nfs/dbraw/zinc/86/85/06/806868506.db2.gz OTNRNVPGPKDLFR-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218385594 803595349 /nfs/dbraw/zinc/59/53/49/803595349.db2.gz ICFNTNMFSYDAET-TVQRCGJNSA-N 1 0 258.277 2.487 20 5 CEBDRO C[NH2+]CCNc1nccc2c1ccc(C)c2[N+](=O)[O-] ZINC001167721687 803660586 /nfs/dbraw/zinc/66/05/86/803660586.db2.gz NIWRIQRUJBGPBS-UHFFFAOYSA-N 1 0 260.297 2.083 20 5 CEBDRO Cc1ccc2c(ccnc2-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167727939 803685878 /nfs/dbraw/zinc/68/58/78/803685878.db2.gz FYYWZQGXRVKKOE-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2SCCS2)c1 ZINC000692904683 804450110 /nfs/dbraw/zinc/45/01/10/804450110.db2.gz NLPJRDVDLJALMB-UHFFFAOYSA-N 1 0 270.379 2.491 20 5 CEBDRO N=C(Nc1nccc2c1cccc2[N+](=O)[O-])SCC[NH3+] ZINC001167909096 804689633 /nfs/dbraw/zinc/68/96/33/804689633.db2.gz DQMYWHBAZVJWET-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO CC(C)(C)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001225243882 804804544 /nfs/dbraw/zinc/80/45/44/804804544.db2.gz NRNZFFKNMRFKJB-CQSZACIVSA-N 1 0 294.415 2.347 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225632888 805049887 /nfs/dbraw/zinc/04/98/87/805049887.db2.gz NTXUJZHBOJNHES-GFCCVEGCSA-N 1 0 265.313 2.241 20 5 CEBDRO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596119910 807175680 /nfs/dbraw/zinc/17/56/80/807175680.db2.gz APWZLEODDACYOU-JTQLQIEISA-N 1 0 298.412 2.013 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001168415725 807249984 /nfs/dbraw/zinc/24/99/84/807249984.db2.gz LOQVODGELFIOEQ-UHFFFAOYSA-N 1 0 299.212 2.083 20 5 CEBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001233552806 807420340 /nfs/dbraw/zinc/42/03/40/807420340.db2.gz XMSGDBWFGMRCKQ-NSHDSACASA-N 1 0 265.313 2.161 20 5 CEBDRO COC/C(C)=C\C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001119854980 815164787 /nfs/dbraw/zinc/16/47/87/815164787.db2.gz KINGACRAXHIHDH-BASWHVEKSA-N 1 0 294.355 2.021 20 5 CEBDRO CCC1(Nc2cc3cccnc3c([N+](=O)[O-])c2)C[NH2+]C1 ZINC001168582060 808665945 /nfs/dbraw/zinc/66/59/45/808665945.db2.gz GXDQHVCTDDVVLN-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO CC[S@@](=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132713730 809234817 /nfs/dbraw/zinc/23/48/17/809234817.db2.gz AJLUSOIDDHPYCK-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CCC1 ZINC000700420768 809310305 /nfs/dbraw/zinc/31/03/05/809310305.db2.gz XZBZZAONOHWNDJ-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701047369 809383343 /nfs/dbraw/zinc/38/33/43/809383343.db2.gz HLACNPOFILKFTD-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000701066567 809385081 /nfs/dbraw/zinc/38/50/81/809385081.db2.gz VUVWYJRPJVQZCI-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001120883818 815290386 /nfs/dbraw/zinc/29/03/86/815290386.db2.gz JPSYPCWJPNCRGE-LLVKDONJSA-N 1 0 290.367 2.459 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000706505494 809827952 /nfs/dbraw/zinc/82/79/52/809827952.db2.gz NLVOSDPNFDKJEW-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000710960747 810007300 /nfs/dbraw/zinc/00/73/00/810007300.db2.gz AWXXCZQOEKXETO-XYPYZODXSA-N 1 0 277.324 2.359 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711422846 810070106 /nfs/dbraw/zinc/07/01/06/810070106.db2.gz CYPKHMHGNCAYAX-GXFFZTMASA-N 1 0 280.324 2.397 20 5 CEBDRO O=[N+]([O-])c1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165245859 810402352 /nfs/dbraw/zinc/40/23/52/810402352.db2.gz ADOUESDPRAAIBK-UHFFFAOYSA-N 1 0 276.340 2.102 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@]13CCOC3)CC2 ZINC001119434925 810475892 /nfs/dbraw/zinc/47/58/92/810475892.db2.gz JERXHFZQXWWOKR-GDBMZVCRSA-N 1 0 288.347 2.380 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252124 815395786 /nfs/dbraw/zinc/39/57/86/815395786.db2.gz KSVPFJXDBZWVHL-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)nc2ccccn21 ZINC000096134251 815396428 /nfs/dbraw/zinc/39/64/28/815396428.db2.gz UKYFHVMDZJISFA-UHFFFAOYSA-N 1 0 289.339 2.140 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000722246406 810908309 /nfs/dbraw/zinc/90/83/09/810908309.db2.gz VJCCYOCCZRUSAK-RNCFNFMXSA-N 1 0 283.759 2.288 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000722246404 810908696 /nfs/dbraw/zinc/90/86/96/810908696.db2.gz VJCCYOCCZRUSAK-NOZJJQNGSA-N 1 0 283.759 2.288 20 5 CEBDRO Cc1cc(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122600816 815429629 /nfs/dbraw/zinc/42/96/29/815429629.db2.gz YSFDWKXHGPIRLK-NOZJJQNGSA-N 1 0 277.324 2.230 20 5 CEBDRO [NH3+]CCc1cnn(-c2ccc([N+](=O)[O-])c3ccccc32)c1 ZINC001168953238 811303720 /nfs/dbraw/zinc/30/37/20/811303720.db2.gz VYPLIUQOMVMFTR-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC001168977054 811306807 /nfs/dbraw/zinc/30/68/07/811306807.db2.gz HJEVKIPQULSYOO-KGLIPLIRSA-N 1 0 278.352 2.491 20 5 CEBDRO [NH3+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2cccnc12 ZINC001168978141 811307227 /nfs/dbraw/zinc/30/72/27/811307227.db2.gz OUNQYLQVHYAWJQ-WCQYABFASA-N 1 0 288.351 2.155 20 5 CEBDRO Cc1ccc(C(=O)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168982917 811309829 /nfs/dbraw/zinc/30/98/29/811309829.db2.gz JFHHWXGKXSEKCV-JSGCOSHPSA-N 1 0 276.336 2.213 20 5 CEBDRO COc1ccc(OC)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168958312 811312919 /nfs/dbraw/zinc/31/29/19/811312919.db2.gz MPXBZYSXTTWCQT-AAEUAGOBSA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001168959561 811314643 /nfs/dbraw/zinc/31/46/43/811314643.db2.gz WRGXDQMCZOADDJ-ZYHUDNBSSA-N 1 0 252.289 2.361 20 5 CEBDRO COc1cccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959191 811314793 /nfs/dbraw/zinc/31/47/93/811314793.db2.gz UNCNHGUTPQPJIG-UONOGXRCSA-N 1 0 278.352 2.273 20 5 CEBDRO CN(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965676 811316971 /nfs/dbraw/zinc/31/69/71/811316971.db2.gz BWZMMTLWKDLEFY-KBMXLJTQSA-N 1 0 291.395 2.324 20 5 CEBDRO CCCCN(CC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967349 811319031 /nfs/dbraw/zinc/31/90/31/811319031.db2.gz OYPVJUFISWDSPN-UONOGXRCSA-N 1 0 271.405 2.143 20 5 CEBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967394 811319448 /nfs/dbraw/zinc/31/94/48/811319448.db2.gz POELFIPPMUNYBW-TZMCWYRMSA-N 1 0 277.368 2.288 20 5 CEBDRO CC(C)(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168991607 811324163 /nfs/dbraw/zinc/32/41/63/811324163.db2.gz IAIPGBVHZXKTQW-MCIONIFRSA-N 1 0 283.416 2.142 20 5 CEBDRO CC(C)Cn1cnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996997 811324960 /nfs/dbraw/zinc/32/49/60/811324960.db2.gz ASKRGVZVHXCFRC-OLZOCXBDSA-N 1 0 280.372 2.074 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(O)cc3C2)C1 ZINC001169001425 811328159 /nfs/dbraw/zinc/32/81/59/811328159.db2.gz FWOCLKLPPJEXBA-GLQYFDAESA-N 1 0 290.363 2.285 20 5 CEBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008000 811332211 /nfs/dbraw/zinc/33/22/11/811332211.db2.gz QOEOUSNTMSEDRA-LOWVWBTDSA-N 1 0 292.335 2.164 20 5 CEBDRO O=c1[nH]c2cc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc2o1 ZINC001169006554 811332524 /nfs/dbraw/zinc/33/25/24/811332524.db2.gz YTDFKJGLRXUAIB-MNOVXSKESA-N 1 0 291.307 2.068 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncc(Cl)c2)C1 ZINC001168987892 811337258 /nfs/dbraw/zinc/33/72/58/811337258.db2.gz LDLLSUWDZBDSKK-JOYOIKCWSA-N 1 0 269.732 2.270 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1F ZINC001168988620 811337882 /nfs/dbraw/zinc/33/78/82/811337882.db2.gz SYUPYPPXRNGXAY-PWSUYJOCSA-N 1 0 282.315 2.369 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169028520 811342127 /nfs/dbraw/zinc/34/21/27/811342127.db2.gz JVHGPFRCXUFWEF-UHFFFAOYSA-N 1 0 271.280 2.029 20 5 CEBDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035157 811346098 /nfs/dbraw/zinc/34/60/98/811346098.db2.gz ATUWXBCVUAYGJR-AAVRWANBSA-N 1 0 298.383 2.095 20 5 CEBDRO C[NH2+]Cc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169025918 811354129 /nfs/dbraw/zinc/35/41/29/811354129.db2.gz JXLXVSVBNIHUEV-JSGCOSHPSA-N 1 0 263.341 2.263 20 5 CEBDRO C/C=C(/C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156344551 811584842 /nfs/dbraw/zinc/58/48/42/811584842.db2.gz ZXXXOXQBHOGYPL-BASWHVEKSA-N 1 0 291.351 2.157 20 5 CEBDRO COc1ccc(C[C@@H](C)n2cncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170298438 812376809 /nfs/dbraw/zinc/37/68/09/812376809.db2.gz LWMHRNGOHLHISG-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO C/C(=C/C(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752499839 812463505 /nfs/dbraw/zinc/46/35/05/812463505.db2.gz LJSOCPBXCJQRKP-QXMHVHEDSA-N 1 0 291.351 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCO1)CC2 ZINC001172899195 815539267 /nfs/dbraw/zinc/53/92/67/815539267.db2.gz LYOUIJONHBFQGQ-DZGCQCFKSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ncccn1)CC2 ZINC001172897315 815539538 /nfs/dbraw/zinc/53/95/38/815539538.db2.gz YWWBWJSIJQEJKN-CQSZACIVSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1O)CC2 ZINC001172900970 815539545 /nfs/dbraw/zinc/53/95/45/815539545.db2.gz IAKPJEYAVWVLMM-BMFZPTHFSA-N 1 0 290.363 2.345 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908112 815540330 /nfs/dbraw/zinc/54/03/30/815540330.db2.gz KZIUIJUMUXDSJJ-DJSGYFEHSA-N 1 0 290.363 2.297 20 5 CEBDRO CC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172896013 815542568 /nfs/dbraw/zinc/54/25/68/815542568.db2.gz KSXJBJWWBLILAE-CQSZACIVSA-N 1 0 290.363 2.468 20 5 CEBDRO [NH2+]=CNC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011002 815566095 /nfs/dbraw/zinc/56/60/95/815566095.db2.gz NDILXTUHSFRZDM-UHFFFAOYSA-N 1 0 284.266 2.038 20 5 CEBDRO CC(C)([NH3+])CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001171192883 814085628 /nfs/dbraw/zinc/08/56/28/814085628.db2.gz MBRYXKMXPODXLG-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000713505293 814860448 /nfs/dbraw/zinc/86/04/48/814860448.db2.gz DBSBFXLFXPDZMJ-RDFMZFSFSA-N 1 0 262.309 2.350 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001116899383 814890742 /nfs/dbraw/zinc/89/07/42/814890742.db2.gz NVULJQZNTXMZMM-OAHLLOKOSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@H]([NH2+]CCOC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000714982235 814920226 /nfs/dbraw/zinc/92/02/26/814920226.db2.gz JNSXDYXTNBOTHJ-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO CC/C=C(\C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124343936 815611017 /nfs/dbraw/zinc/61/10/17/815611017.db2.gz GNABNZLTTQEJTL-ONNFQVAWSA-N 1 0 297.380 2.218 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnn1C ZINC001173217226 815623581 /nfs/dbraw/zinc/62/35/81/815623581.db2.gz QXGKIXPCBZKIEV-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCCC1 ZINC001173218957 815624968 /nfs/dbraw/zinc/62/49/68/815624968.db2.gz UNZOISQIRXMUJP-LBPRGKRZSA-N 1 0 278.352 2.421 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cccnc1 ZINC001173219619 815625841 /nfs/dbraw/zinc/62/58/41/815625841.db2.gz OJYDGZQSSMEHPN-LBPRGKRZSA-N 1 0 299.330 2.393 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1CO ZINC001173223559 815628045 /nfs/dbraw/zinc/62/80/45/815628045.db2.gz AWBJUOYLZNIHSU-IUODEOHRSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001173223554 815628111 /nfs/dbraw/zinc/62/81/11/815628111.db2.gz AVSXDRVILQJUJO-TYNCELHUSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](C)C1 ZINC001173226487 815630842 /nfs/dbraw/zinc/63/08/42/815630842.db2.gz MAPGQYVIZYNZBW-OLZOCXBDSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001173230801 815632051 /nfs/dbraw/zinc/63/20/51/815632051.db2.gz GLQGTLYDFSDEKZ-WQVCFCJDSA-N 1 0 289.379 2.304 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccon1 ZINC001173212564 815635342 /nfs/dbraw/zinc/63/53/42/815635342.db2.gz AYGZAMNRFKMALK-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cncnc1 ZINC001173237395 815648958 /nfs/dbraw/zinc/64/89/58/815648958.db2.gz IXVYEORECINKOC-LBPRGKRZSA-N 1 0 286.335 2.448 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cccn1 ZINC000449071551 282088008 /nfs/dbraw/zinc/08/80/08/282088008.db2.gz HVTVHLSEVQVPIY-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000449084570 282093933 /nfs/dbraw/zinc/09/39/33/282093933.db2.gz ICJAZXNMRJCRBX-GFCCVEGCSA-N 1 0 274.324 2.012 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159127 282124868 /nfs/dbraw/zinc/12/48/68/282124868.db2.gz XSCNABHRLIUNPG-JTQLQIEISA-N 1 0 274.324 2.347 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000449167695 282128876 /nfs/dbraw/zinc/12/88/76/282128876.db2.gz BFLHCKQCGJVPCI-ZLDLUXBVSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125179729 187173726 /nfs/dbraw/zinc/17/37/26/187173726.db2.gz BDUIFFXBWBBYPT-SECBINFHSA-N 1 0 293.348 2.189 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601326698 346821960 /nfs/dbraw/zinc/82/19/60/346821960.db2.gz GUEUMGNNSUMJSW-UPJWGTAASA-N 1 0 275.352 2.400 20 5 CEBDRO Cc1c(CN[C@]23CCC[C@@H]2C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000601328289 346822298 /nfs/dbraw/zinc/82/22/98/346822298.db2.gz KAQDAIAYRPZFHG-HIFRSBDPSA-N 1 0 275.352 2.135 20 5 CEBDRO C[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096811584 185115284 /nfs/dbraw/zinc/11/52/84/185115284.db2.gz PUFUNUAAUTXTBD-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOC(F)F)cs1 ZINC000337795121 214265964 /nfs/dbraw/zinc/26/59/64/214265964.db2.gz CSTGPNOHGOYITQ-UHFFFAOYSA-N 1 0 266.269 2.375 20 5 CEBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037649486 361918183 /nfs/dbraw/zinc/91/81/83/361918183.db2.gz RVNPAMLXFBZYKW-JTQLQIEISA-N 1 0 281.381 2.230 20 5 CEBDRO COC1CC[NH+](CCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000080250023 344004727 /nfs/dbraw/zinc/00/47/27/344004727.db2.gz DUAUZXVSIKAZPE-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775760 361997093 /nfs/dbraw/zinc/99/70/93/361997093.db2.gz JZGMIKQKCUAADZ-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO CCOc1cc(C[NH2+]C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000492696885 290639568 /nfs/dbraw/zinc/63/95/68/290639568.db2.gz PHJPQNTZYKFOOD-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449290091 282173844 /nfs/dbraw/zinc/17/38/44/282173844.db2.gz DJYFPJANSJDNBV-VXGBXAGGSA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449322634 282187954 /nfs/dbraw/zinc/18/79/54/282187954.db2.gz YKXGQQULQBIFHO-GXTWGEPZSA-N 1 0 280.368 2.380 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414528250 529633004 /nfs/dbraw/zinc/63/30/04/529633004.db2.gz NXZAVSPLFGBZSK-GXTWGEPZSA-N 1 0 266.341 2.480 20 5 CEBDRO CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046701717 362184806 /nfs/dbraw/zinc/18/48/06/362184806.db2.gz ZWPUWNUKNBVVIY-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)CC1 ZINC000026859301 343391223 /nfs/dbraw/zinc/39/12/23/343391223.db2.gz XTRXXCVKGQGLIF-JTQLQIEISA-N 1 0 250.298 2.113 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000039395335 343435954 /nfs/dbraw/zinc/43/59/54/343435954.db2.gz CPQRWBYNXGHGGQ-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1ccc(CN2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000127902120 187339975 /nfs/dbraw/zinc/33/99/75/187339975.db2.gz MNZZDHKFPRGHFT-UHFFFAOYSA-N 1 0 275.352 2.183 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000044533033 343473925 /nfs/dbraw/zinc/47/39/25/343473925.db2.gz DKERHLNCCUEZCP-SNVBAGLBSA-N 1 0 269.370 2.088 20 5 CEBDRO CC(C)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744512 343520965 /nfs/dbraw/zinc/52/09/65/343520965.db2.gz RKPNFMBZBQSHEI-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO C[C@@H](Cn1ccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049235277 343536243 /nfs/dbraw/zinc/53/62/43/343536243.db2.gz WGDRIEGCXCTUIJ-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO Cc1c(CN2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000052165642 343557196 /nfs/dbraw/zinc/55/71/96/343557196.db2.gz JDGJPPQYTODFQB-UHFFFAOYSA-N 1 0 289.379 2.431 20 5 CEBDRO Cc1ccc(CN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000127978374 365771127 /nfs/dbraw/zinc/77/11/27/365771127.db2.gz BAEDKLSPCZIKII-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346630631 290696006 /nfs/dbraw/zinc/69/60/06/290696006.db2.gz BXIMNQHCGBWOOZ-ZBKLQPJUSA-N 1 0 275.352 2.292 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449579560 282290506 /nfs/dbraw/zinc/29/05/06/282290506.db2.gz HGACWZFWIKLIDA-MNOVXSKESA-N 1 0 298.364 2.478 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000059891833 343654492 /nfs/dbraw/zinc/65/44/92/343654492.db2.gz UIWQQANDCHAZMO-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000063852560 343685239 /nfs/dbraw/zinc/68/52/39/343685239.db2.gz NSMVNHXKEHLWIK-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067573716 343739301 /nfs/dbraw/zinc/73/93/01/343739301.db2.gz USCDBBFIQMBCNP-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000602116605 346977154 /nfs/dbraw/zinc/97/71/54/346977154.db2.gz NGULVSKZLZBCLR-WDEREUQCSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000602133017 346980691 /nfs/dbraw/zinc/98/06/91/346980691.db2.gz NJKXTYNHFKNDIU-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000072924736 343814983 /nfs/dbraw/zinc/81/49/83/343814983.db2.gz HPZGXLAKWOAWRH-ZDUSSCGKSA-N 1 0 252.314 2.355 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128094005 187350913 /nfs/dbraw/zinc/35/09/13/187350913.db2.gz FMEOGJFBAJXELN-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075721492 343864353 /nfs/dbraw/zinc/86/43/53/343864353.db2.gz QGTYQJMHSDIPHD-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO CCC1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000075859562 343869736 /nfs/dbraw/zinc/86/97/36/343869736.db2.gz NTIGAXACJJYUGZ-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638487 282314437 /nfs/dbraw/zinc/31/44/37/282314437.db2.gz KVUIJUPCKHRGEG-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602460198 347041862 /nfs/dbraw/zinc/04/18/62/347041862.db2.gz VTKUXBDXOMZJGQ-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO COc1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000118295383 344291029 /nfs/dbraw/zinc/29/10/29/344291029.db2.gz APRZERSEAUVWSW-UHFFFAOYSA-N 1 0 291.351 2.135 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C2=CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602468653 347045136 /nfs/dbraw/zinc/04/51/36/347045136.db2.gz XCXOXNCRNZCLRP-MFKMUULPSA-N 1 0 289.335 2.128 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122586179 344307097 /nfs/dbraw/zinc/30/70/97/344307097.db2.gz GKEKLTZWYHFJLI-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000151805409 344422799 /nfs/dbraw/zinc/42/27/99/344422799.db2.gz RAVKHTLVHOPHDU-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO C[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414826465 529978222 /nfs/dbraw/zinc/97/82/22/529978222.db2.gz VZOHHEGEFSGQDQ-UHFFFAOYSA-N 1 0 275.308 2.164 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000157129552 344445271 /nfs/dbraw/zinc/44/52/71/344445271.db2.gz QYJPEHMDRCKKPO-CQSZACIVSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159329775 344454515 /nfs/dbraw/zinc/45/45/15/344454515.db2.gz VXJPTKQLLXZZGH-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000226753671 344551497 /nfs/dbraw/zinc/55/14/97/344551497.db2.gz WWUPOJPTULBFSJ-RYUDHWBXSA-N 1 0 262.313 2.029 20 5 CEBDRO COc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000228560622 344561123 /nfs/dbraw/zinc/56/11/23/344561123.db2.gz TXTWTXSXNFWKIT-SECBINFHSA-N 1 0 290.279 2.078 20 5 CEBDRO O=[N+]([O-])c1cc2c(ncnc2NCCC[NH2+]C2CC2)s1 ZINC000312557723 344739119 /nfs/dbraw/zinc/73/91/19/344739119.db2.gz HLBFOFGCPLOTOV-UHFFFAOYSA-N 1 0 293.352 2.154 20 5 CEBDRO Cc1cc(C)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000314770840 344746126 /nfs/dbraw/zinc/74/61/26/344746126.db2.gz TWTBRHCYQSGMSX-ZDUSSCGKSA-N 1 0 296.367 2.292 20 5 CEBDRO CC[C@](C)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)OC ZINC000322613531 344753267 /nfs/dbraw/zinc/75/32/67/344753267.db2.gz LOVLKZNGAKWTSN-CQSZACIVSA-N 1 0 282.340 2.378 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555448 347075509 /nfs/dbraw/zinc/07/55/09/347075509.db2.gz QZUUVXFHBRXTAQ-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561107 347077371 /nfs/dbraw/zinc/07/73/71/347077371.db2.gz COTLNPMAUNZUOS-YPMHNXCESA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CC3)CC2)cn1 ZINC000602564518 347080463 /nfs/dbraw/zinc/08/04/63/347080463.db2.gz TVHNVYKYURVYRJ-UHFFFAOYSA-N 1 0 290.367 2.348 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000602567124 347080891 /nfs/dbraw/zinc/08/08/91/347080891.db2.gz VBWPXMLOLUXKPP-HNNXBMFYSA-N 1 0 289.379 2.211 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401143223 344866590 /nfs/dbraw/zinc/86/65/90/344866590.db2.gz ADZNBZMAYHUYFE-VIFPVBQESA-N 1 0 270.308 2.270 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000401188966 344866933 /nfs/dbraw/zinc/86/69/33/344866933.db2.gz PGCNBLPODJQZPG-QWRGUYRKSA-N 1 0 280.303 2.168 20 5 CEBDRO C[NH+]1CCC(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401224614 344867741 /nfs/dbraw/zinc/86/77/41/344867741.db2.gz WHQNXMOZUMESMQ-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])s1 ZINC000401653642 344869161 /nfs/dbraw/zinc/86/91/61/344869161.db2.gz IDVZIYIVENSFSH-SNVBAGLBSA-N 1 0 295.364 2.061 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402270390 344872259 /nfs/dbraw/zinc/87/22/59/344872259.db2.gz DLQZGIACANENLU-CMPLNLGQSA-N 1 0 250.298 2.170 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222901 344878376 /nfs/dbraw/zinc/87/83/76/344878376.db2.gz ZPVDROPUZDUVBQ-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404411863 344880138 /nfs/dbraw/zinc/88/01/38/344880138.db2.gz YGJZWIRUOPUNRB-RISCZKNCSA-N 1 0 291.351 2.184 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407200938 344885772 /nfs/dbraw/zinc/88/57/72/344885772.db2.gz ASPGSFGXSOHZPI-OLZOCXBDSA-N 1 0 275.308 2.064 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449793783 282370567 /nfs/dbraw/zinc/37/05/67/282370567.db2.gz YCQLQZNIRSZMMK-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO CSC1(CNc2cccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000589605297 345088745 /nfs/dbraw/zinc/08/87/45/345088745.db2.gz JGRLYEBHGKNQDK-UHFFFAOYSA-N 1 0 296.396 2.229 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCCF)OCCO2 ZINC000589737443 345097094 /nfs/dbraw/zinc/09/70/94/345097094.db2.gz LXJRZBUDNQIYII-UHFFFAOYSA-N 1 0 284.287 2.205 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590010517 345110288 /nfs/dbraw/zinc/11/02/88/345110288.db2.gz MPWTWWCMUTXPEB-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590752290 345174118 /nfs/dbraw/zinc/17/41/18/345174118.db2.gz PDZAOBDBCBJIHM-KGLIPLIRSA-N 1 0 292.335 2.069 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590402727 345133434 /nfs/dbraw/zinc/13/34/34/345133434.db2.gz FBEYNEFEMUVEPP-WPRPVWTQSA-N 1 0 297.380 2.129 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972202 345208415 /nfs/dbraw/zinc/20/84/15/345208415.db2.gz WGDKBWVJFFYXIW-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591478414 345261677 /nfs/dbraw/zinc/26/16/77/345261677.db2.gz JDDFUBZHKBRVJD-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591673126 345273141 /nfs/dbraw/zinc/27/31/41/345273141.db2.gz OOUWOWHMEGJGQW-GXFFZTMASA-N 1 0 291.351 2.078 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C=CCCC2)c1 ZINC000591752091 345277201 /nfs/dbraw/zinc/27/72/01/345277201.db2.gz UNBZJBPUABSIEK-GXTWGEPZSA-N 1 0 292.335 2.033 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000592379999 345348173 /nfs/dbraw/zinc/34/81/73/345348173.db2.gz HJHHDPUTCOHGDR-SCZZXKLOSA-N 1 0 298.364 2.293 20 5 CEBDRO CC[C@@H]([NH2+]CCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392888 345349411 /nfs/dbraw/zinc/34/94/11/345349411.db2.gz CJWZWWYBODDBBJ-CQSZACIVSA-N 1 0 289.339 2.007 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592432853 345353040 /nfs/dbraw/zinc/35/30/40/345353040.db2.gz ZBWIJIDFUOCRQB-HFBOFBSRSA-N 1 0 287.363 2.292 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000592501031 345361022 /nfs/dbraw/zinc/36/10/22/345361022.db2.gz APMPVEVEJCAFHN-CQSZACIVSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000273938130 192370695 /nfs/dbraw/zinc/37/06/95/192370695.db2.gz DAUOQCKDJWSRAK-RYUDHWBXSA-N 1 0 296.367 2.489 20 5 CEBDRO O=[N+]([O-])c1cc2cnn(C[C@@H]3CC[NH2+]C3)c2c(Cl)c1 ZINC000592164534 345333355 /nfs/dbraw/zinc/33/33/55/345333355.db2.gz LITVGKRLVYLVFK-MRVPVSSYSA-N 1 0 280.715 2.207 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592832212 345401888 /nfs/dbraw/zinc/40/18/88/345401888.db2.gz TVDNPIPOSVOVII-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[N@@H+]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593458198 345490346 /nfs/dbraw/zinc/49/03/46/345490346.db2.gz JUGVCUIXAFMECS-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+](C)CC(C)C ZINC000593481190 345494973 /nfs/dbraw/zinc/49/49/73/345494973.db2.gz YBMKSBHYKIQHBZ-UHFFFAOYSA-N 1 0 280.372 2.110 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000593229922 345455848 /nfs/dbraw/zinc/45/58/48/345455848.db2.gz RNBPQBFQJNGOTJ-NHYWBVRUSA-N 1 0 298.346 2.331 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CCF ZINC000593685090 345520579 /nfs/dbraw/zinc/52/05/79/345520579.db2.gz FFYGJNQTJOSMIK-HJTPGIPUSA-N 1 0 282.315 2.308 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593915377 345551719 /nfs/dbraw/zinc/55/17/19/345551719.db2.gz WGDGPTXPKOZWOR-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC[NH2+]CC1 ZINC000593920336 345552401 /nfs/dbraw/zinc/55/24/01/345552401.db2.gz ZTKCXWVEIPIOMG-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000593605090 345512008 /nfs/dbraw/zinc/51/20/08/345512008.db2.gz GHADYEJIWBYSFG-STQMWFEESA-N 1 0 266.345 2.350 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCn2ccnc21 ZINC000594496894 345638098 /nfs/dbraw/zinc/63/80/98/345638098.db2.gz ZCWYGMRPQRFJTQ-ZDUSSCGKSA-N 1 0 286.335 2.459 20 5 CEBDRO CN1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505491 345639769 /nfs/dbraw/zinc/63/97/69/345639769.db2.gz WTSLQSLLNMVYDH-BXUZGUMPSA-N 1 0 275.352 2.266 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000594572602 345649574 /nfs/dbraw/zinc/64/95/74/345649574.db2.gz PTTLSSLRICZVQU-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594592234 345653634 /nfs/dbraw/zinc/65/36/34/345653634.db2.gz RREGOZHJVVTHTG-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594594720 345654717 /nfs/dbraw/zinc/65/47/17/345654717.db2.gz QFOUXDYTHKYKCZ-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[NH+]1CCN([C@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000059389296 362647888 /nfs/dbraw/zinc/64/78/88/362647888.db2.gz VFHBFEISBSRPFG-CYBMUJFWSA-N 1 0 292.383 2.033 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936851 345709501 /nfs/dbraw/zinc/70/95/01/345709501.db2.gz WXWCXTRZODJRRM-YRRQLQLVSA-N 1 0 292.335 2.443 20 5 CEBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595298982 345757390 /nfs/dbraw/zinc/75/73/90/345757390.db2.gz UHJBRXSXRVXEIF-UHFFFAOYSA-N 1 0 284.287 2.119 20 5 CEBDRO COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594962853 345717651 /nfs/dbraw/zinc/71/76/51/345717651.db2.gz LXURBCZVXDUEJY-UHFFFAOYSA-N 1 0 264.325 2.500 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C\CO ZINC000594974226 345720298 /nfs/dbraw/zinc/72/02/98/345720298.db2.gz ITHQZDZLRCXCFX-FLULEWPTSA-N 1 0 262.309 2.136 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC000594983456 345721195 /nfs/dbraw/zinc/72/11/95/345721195.db2.gz MGMFYWRJZGPZKL-UHFFFAOYSA-N 1 0 276.336 2.236 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000595008775 345725343 /nfs/dbraw/zinc/72/53/43/345725343.db2.gz QQCPZDMYTQXRGP-GXFFZTMASA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000595050727 345734794 /nfs/dbraw/zinc/73/47/94/345734794.db2.gz JSHQNHHMALWOJA-QMTHXVAHSA-N 1 0 294.351 2.415 20 5 CEBDRO COC[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000595060295 345737498 /nfs/dbraw/zinc/73/74/98/345737498.db2.gz MMAAPXMPJWTFGU-BXUZGUMPSA-N 1 0 294.351 2.223 20 5 CEBDRO COC[C@@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000595060297 345737501 /nfs/dbraw/zinc/73/75/01/345737501.db2.gz MMAAPXMPJWTFGU-RISCZKNCSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553543 345811454 /nfs/dbraw/zinc/81/14/54/345811454.db2.gz XQNHXLHGDHYVSB-QWRGUYRKSA-N 1 0 282.315 2.184 20 5 CEBDRO Cc1noc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595339418 345764672 /nfs/dbraw/zinc/76/46/72/345764672.db2.gz OISRYIYHDZCTCL-NXEZZACHSA-N 1 0 251.286 2.123 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595431285 345780676 /nfs/dbraw/zinc/78/06/76/345780676.db2.gz OMCFUCIZWODTGV-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595433449 345781683 /nfs/dbraw/zinc/78/16/83/345781683.db2.gz WPGJJOQUVWMZDU-LBPRGKRZSA-N 1 0 270.304 2.495 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504539 345797478 /nfs/dbraw/zinc/79/74/78/345797478.db2.gz FOSVYWIDCKNLED-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)C1CCC1 ZINC000595615920 345828143 /nfs/dbraw/zinc/82/81/43/345828143.db2.gz JYPAYYNXBIAWFZ-GFCCVEGCSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835832 345892537 /nfs/dbraw/zinc/89/25/37/345892537.db2.gz WALHWFJNNUHCHI-QWRGUYRKSA-N 1 0 280.299 2.202 20 5 CEBDRO Cc1cc(N[C@@H](C)CC(N)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167382922 232265548 /nfs/dbraw/zinc/26/55/48/232265548.db2.gz NFSZILXGKWRZFA-VIFPVBQESA-N 1 0 288.307 2.127 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757456 345868310 /nfs/dbraw/zinc/86/83/10/345868310.db2.gz JLVXYLFQFWFNJD-GXTWGEPZSA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776404 345873984 /nfs/dbraw/zinc/87/39/84/345873984.db2.gz AWXYJZRJIRFBIX-UONOGXRCSA-N 1 0 276.336 2.296 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000595810467 345881503 /nfs/dbraw/zinc/88/15/03/345881503.db2.gz XSNBPYCEQNNPTF-RYUDHWBXSA-N 1 0 262.309 2.445 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595928545 345914207 /nfs/dbraw/zinc/91/42/07/345914207.db2.gz KNBYDLYQDBHYSX-CQSZACIVSA-N 1 0 293.367 2.330 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595926498 345914254 /nfs/dbraw/zinc/91/42/54/345914254.db2.gz LVJOBAXETLBEOG-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH2+]C ZINC000595985094 345921295 /nfs/dbraw/zinc/92/12/95/345921295.db2.gz WESXKDGPXWJYOT-SECBINFHSA-N 1 0 297.380 2.045 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CC[NH3+])C1 ZINC000596016052 345923553 /nfs/dbraw/zinc/92/35/53/345923553.db2.gz OIXUCAKWVSCOPR-NSHDSACASA-N 1 0 279.340 2.169 20 5 CEBDRO COc1cc(N(C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596152875 345953165 /nfs/dbraw/zinc/95/31/65/345953165.db2.gz PZMNVQBVSPBWOA-UHFFFAOYSA-N 1 0 287.747 2.255 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1=CCCC1 ZINC000596064851 345931530 /nfs/dbraw/zinc/93/15/30/345931530.db2.gz ARQVRVKIZTVCTB-CYBMUJFWSA-N 1 0 292.335 2.034 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173991942 232286128 /nfs/dbraw/zinc/28/61/28/232286128.db2.gz OKTCHJXBASZDCZ-NSHDSACASA-N 1 0 277.324 2.408 20 5 CEBDRO CC(C)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000596205012 345968568 /nfs/dbraw/zinc/96/85/68/345968568.db2.gz DXOCFMIAPDNVTJ-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO Cc1nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305832 345995130 /nfs/dbraw/zinc/99/51/30/345995130.db2.gz BAEKBKAWXSIOGN-NSHDSACASA-N 1 0 278.356 2.005 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000596269619 345986226 /nfs/dbraw/zinc/98/62/26/345986226.db2.gz VPQCCFJVENMZLQ-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO C[C@H](CCNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000596424657 346020181 /nfs/dbraw/zinc/02/01/81/346020181.db2.gz JIJDWFKALVOAGS-MRVPVSSYSA-N 1 0 283.357 2.056 20 5 CEBDRO Cc1nc(N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596489529 346037482 /nfs/dbraw/zinc/03/74/82/346037482.db2.gz WWZKIVIHTADYGG-GFCCVEGCSA-N 1 0 292.383 2.252 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654351 346073078 /nfs/dbraw/zinc/07/30/78/346073078.db2.gz JRAKSPJYSNFGMM-YGRLFVJLSA-N 1 0 263.341 2.170 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000597212324 346150292 /nfs/dbraw/zinc/15/02/92/346150292.db2.gz UJMHUNQNNMWHLF-CUOOIUKUSA-N 1 0 288.347 2.455 20 5 CEBDRO C[C@@H](O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597235299 346157195 /nfs/dbraw/zinc/15/71/95/346157195.db2.gz XSAAGPLCAIHRHO-DUMNWFOQSA-N 1 0 262.309 2.111 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000597945997 346256147 /nfs/dbraw/zinc/25/61/47/346256147.db2.gz MBMRHDWSTLVVGT-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598466958 346361815 /nfs/dbraw/zinc/36/18/15/346361815.db2.gz XTLQCDYACRJQJA-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000598632189 346388370 /nfs/dbraw/zinc/38/83/70/346388370.db2.gz ARKPMHKEWISOQQ-UHFFFAOYSA-N 1 0 253.277 2.288 20 5 CEBDRO Cc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000062852854 362725363 /nfs/dbraw/zinc/72/53/63/362725363.db2.gz TUZOPDFKDLCUCZ-CQSZACIVSA-N 1 0 277.324 2.231 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599000798 346444655 /nfs/dbraw/zinc/44/46/55/346444655.db2.gz WDEGJLMUHIQCLD-KZWBYHQPSA-N 1 0 264.325 2.496 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000599016649 346446634 /nfs/dbraw/zinc/44/66/34/346446634.db2.gz MHEIQWARVGDAMI-KLPPZKSPSA-N 1 0 250.298 2.109 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914492 346433437 /nfs/dbraw/zinc/43/34/37/346433437.db2.gz GJAIERYTZIQOGX-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000598916232 346433994 /nfs/dbraw/zinc/43/39/94/346433994.db2.gz TVCQQMQXGMYJMB-UHFFFAOYSA-N 1 0 298.730 2.251 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]21 ZINC000599083371 346457122 /nfs/dbraw/zinc/45/71/22/346457122.db2.gz KFFZNBBKMBEDNA-JYAVWHMHSA-N 1 0 298.346 2.139 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599080454 346457372 /nfs/dbraw/zinc/45/73/72/346457372.db2.gz HBJGBPVETSRFCQ-GMXVVIOVSA-N 1 0 264.325 2.325 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc1 ZINC000599125695 346463768 /nfs/dbraw/zinc/46/37/68/346463768.db2.gz AKDLRGDYJDPSHM-CYBMUJFWSA-N 1 0 290.367 2.231 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599350376 346504235 /nfs/dbraw/zinc/50/42/35/346504235.db2.gz WOJVJXUZIKUUET-LLVKDONJSA-N 1 0 293.367 2.408 20 5 CEBDRO C[NH+](C)C/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493352619 290794087 /nfs/dbraw/zinc/79/40/87/290794087.db2.gz NEJBKZPKCLZRQW-YFHOEESVSA-N 1 0 291.351 2.064 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000600707372 346674312 /nfs/dbraw/zinc/67/43/12/346674312.db2.gz HFIYGLHKGJVQBM-DDTOSNHZSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600677261 346671852 /nfs/dbraw/zinc/67/18/52/346671852.db2.gz BPKMYUMWZICYSJ-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[C@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712338 346676025 /nfs/dbraw/zinc/67/60/25/346676025.db2.gz WWVNCMZQAZHUEE-AWEZNQCLSA-N 1 0 293.367 2.143 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CO)CCCC2)c(F)c1 ZINC000351761057 219199682 /nfs/dbraw/zinc/19/96/82/219199682.db2.gz WDJATLYDCHJBIV-UHFFFAOYSA-N 1 0 286.278 2.268 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601119985 346758518 /nfs/dbraw/zinc/75/85/18/346758518.db2.gz HNPJOGXQHLSTLT-LLVKDONJSA-N 1 0 296.346 2.297 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129370743 365851323 /nfs/dbraw/zinc/85/13/23/365851323.db2.gz RCCOJJGNZJPZJL-GHMZBOCLSA-N 1 0 276.340 2.335 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601153955 346771422 /nfs/dbraw/zinc/77/14/22/346771422.db2.gz VQUSXDWNZWRSHI-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(NCCC3(CO)CC3)c2c1 ZINC000601170608 346776575 /nfs/dbraw/zinc/77/65/75/346776575.db2.gz CISPGKMRCNHDID-UHFFFAOYSA-N 1 0 287.319 2.139 20 5 CEBDRO CC[C@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000601103883 346753445 /nfs/dbraw/zinc/75/34/45/346753445.db2.gz KYPUNNOPUWYLHD-LLVKDONJSA-N 1 0 282.319 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(NC[C@H]3CCCOC3)c2c1 ZINC000601105998 346754156 /nfs/dbraw/zinc/75/41/56/346754156.db2.gz JUYNQKKALMEBIX-LLVKDONJSA-N 1 0 287.319 2.403 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602666801 347132264 /nfs/dbraw/zinc/13/22/64/347132264.db2.gz KSANFPRTYXRWND-RKDXNWHRSA-N 1 0 279.296 2.249 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000602787045 347198333 /nfs/dbraw/zinc/19/83/33/347198333.db2.gz GKCDCCRHBCPVRJ-JTQLQIEISA-N 1 0 266.345 2.220 20 5 CEBDRO CSCC[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795625 347201695 /nfs/dbraw/zinc/20/16/95/347201695.db2.gz UKQWCUSPKURYFK-SNVBAGLBSA-N 1 0 286.401 2.173 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798242 347203314 /nfs/dbraw/zinc/20/33/14/347203314.db2.gz NIPKEDZKDJWATB-CMPLNLGQSA-N 1 0 266.345 2.363 20 5 CEBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814420 347210825 /nfs/dbraw/zinc/21/08/25/347210825.db2.gz ARDHKQNBTPQUGJ-CHWSQXEVSA-N 1 0 296.371 2.012 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602729404 347175434 /nfs/dbraw/zinc/17/54/34/347175434.db2.gz KBUXWDFRLSTPAD-XBXGTLAGSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1C[NH+]2CCC1CC2 ZINC000602751621 347185088 /nfs/dbraw/zinc/18/50/88/347185088.db2.gz JVVBVDDUIPBYIT-INIZCTEOSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000602833302 347217317 /nfs/dbraw/zinc/21/73/17/347217317.db2.gz NPBNOINOLLFALZ-SECBINFHSA-N 1 0 288.298 2.077 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000602849018 347223664 /nfs/dbraw/zinc/22/36/64/347223664.db2.gz ZNAMJGIWQYVIJV-GHMZBOCLSA-N 1 0 266.345 2.220 20 5 CEBDRO CO[C@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896401 347241003 /nfs/dbraw/zinc/24/10/03/347241003.db2.gz GPWJEHYXWXQVKZ-BXUZGUMPSA-N 1 0 280.324 2.269 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982660 347265562 /nfs/dbraw/zinc/26/55/62/347265562.db2.gz WGDDDTVBXTYOSX-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203546 347308510 /nfs/dbraw/zinc/30/85/10/347308510.db2.gz PLUULUINIDGBQN-LLVKDONJSA-N 1 0 293.302 2.174 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220939 347313110 /nfs/dbraw/zinc/31/31/10/347313110.db2.gz XSCNVRISBZTMCQ-IINYFYTJSA-N 1 0 289.339 2.451 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000603436895 347370100 /nfs/dbraw/zinc/37/01/00/347370100.db2.gz GRLHEVNRQKAWQH-MASHWEEQSA-N 1 0 294.351 2.410 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000603436889 347370311 /nfs/dbraw/zinc/37/03/11/347370311.db2.gz GRLHEVNRQKAWQH-HSBHDXMMSA-N 1 0 294.351 2.410 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000129654087 365883025 /nfs/dbraw/zinc/88/30/25/365883025.db2.gz XGYASAUXALFXDW-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609574300 347643973 /nfs/dbraw/zinc/64/39/73/347643973.db2.gz ZQFYCNWMWNJLJV-LLVKDONJSA-N 1 0 277.324 2.102 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610605293 347696333 /nfs/dbraw/zinc/69/63/33/347696333.db2.gz WIZJSHQURDEMRF-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000610990757 347727849 /nfs/dbraw/zinc/72/78/49/347727849.db2.gz MINSQUVNNUEYPV-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611091745 347738969 /nfs/dbraw/zinc/73/89/69/347738969.db2.gz GMBBGESOPXYLRA-ZDUSSCGKSA-N 1 0 277.368 2.163 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000611616544 347799247 /nfs/dbraw/zinc/79/92/47/347799247.db2.gz ZEMKJFIWDZGZBX-CYBMUJFWSA-N 1 0 292.383 2.385 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCOC1 ZINC000611515338 347789630 /nfs/dbraw/zinc/78/96/30/347789630.db2.gz KHAYSHFKZQBEJD-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086700395 179321317 /nfs/dbraw/zinc/32/13/17/179321317.db2.gz JGHAUDAIXRCORK-CQSZACIVSA-N 1 0 282.340 2.234 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351877492 219234294 /nfs/dbraw/zinc/23/42/94/219234294.db2.gz QBTHRKPOLYKOQP-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ccsc1[N+](=O)[O-] ZINC000613701048 348093231 /nfs/dbraw/zinc/09/32/31/348093231.db2.gz DNGXFNNXPINZRS-UHFFFAOYSA-N 1 0 255.343 2.187 20 5 CEBDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000614191477 348156649 /nfs/dbraw/zinc/15/66/49/348156649.db2.gz ASLYYLDJHQFZTO-YPMHNXCESA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H]1CCCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000614191475 348156786 /nfs/dbraw/zinc/15/67/86/348156786.db2.gz ASLYYLDJHQFZTO-WCQYABFASA-N 1 0 266.345 2.350 20 5 CEBDRO CC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000614976633 348262335 /nfs/dbraw/zinc/26/23/35/348262335.db2.gz ULTZZBSPLOVBIM-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000128935532 187399831 /nfs/dbraw/zinc/39/98/31/187399831.db2.gz YRCLGYSYAVDORA-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000575435904 539660838 /nfs/dbraw/zinc/66/08/38/539660838.db2.gz CTULTENKWZFJBO-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1nc(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000273484320 192169962 /nfs/dbraw/zinc/16/99/62/192169962.db2.gz VKAFTRJFAANEML-UHFFFAOYSA-N 1 0 290.323 2.269 20 5 CEBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000339624174 215273219 /nfs/dbraw/zinc/27/32/19/215273219.db2.gz XFFVIRAYEKQQDN-UWVGGRQHSA-N 1 0 269.370 2.181 20 5 CEBDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621989 215273718 /nfs/dbraw/zinc/27/37/18/215273718.db2.gz WPWMSXTWRPUGJV-TXEJJXNPSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339628054 215275886 /nfs/dbraw/zinc/27/58/86/215275886.db2.gz GEGPSRHKBLQDGP-STQMWFEESA-N 1 0 277.368 2.162 20 5 CEBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000271257649 191032293 /nfs/dbraw/zinc/03/22/93/191032293.db2.gz AGSMEJVYAJRKLK-UHFFFAOYSA-N 1 0 293.367 2.062 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412040229 233320715 /nfs/dbraw/zinc/32/07/15/233320715.db2.gz QJJVSPVYBMPBLT-QJPTWQEYSA-N 1 0 264.325 2.359 20 5 CEBDRO CC(C)(CO)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290957302 197870937 /nfs/dbraw/zinc/87/09/37/197870937.db2.gz RFMFSOJDBVKCCZ-CQSZACIVSA-N 1 0 278.352 2.482 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091985680 180298142 /nfs/dbraw/zinc/29/81/42/180298142.db2.gz JLYMAKVMDDXTMR-LLVKDONJSA-N 1 0 280.324 2.144 20 5 CEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000271367423 191099702 /nfs/dbraw/zinc/09/97/02/191099702.db2.gz ORSXJZWUNWGMMI-CYBMUJFWSA-N 1 0 292.335 2.227 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092209876 180344844 /nfs/dbraw/zinc/34/48/44/180344844.db2.gz XDIGRNZRKQEPCB-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106879540 186146203 /nfs/dbraw/zinc/14/62/03/186146203.db2.gz ATSQAHQHZOYFEH-CYBMUJFWSA-N 1 0 280.324 2.084 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339751028 215325965 /nfs/dbraw/zinc/32/59/65/215325965.db2.gz DWDKECXVVPOBKN-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108433503 186216303 /nfs/dbraw/zinc/21/63/03/186216303.db2.gz KCHCXMJWIIKBMW-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110647392 186310254 /nfs/dbraw/zinc/31/02/54/186310254.db2.gz UMYFETYBFDEBTE-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110645898 186309038 /nfs/dbraw/zinc/30/90/38/186309038.db2.gz YVCKDCPWQXNEBQ-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000110645342 186309318 /nfs/dbraw/zinc/30/93/18/186309318.db2.gz SODKLEBTBGHFGE-SECBINFHSA-N 1 0 269.370 2.216 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000110792184 186324965 /nfs/dbraw/zinc/32/49/65/186324965.db2.gz QOQBHJSCNKPPSL-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352230916 219373736 /nfs/dbraw/zinc/37/37/36/219373736.db2.gz NBWFYSHBJRDJIO-LBPRGKRZSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1cccc(C(=O)N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000070187609 363049717 /nfs/dbraw/zinc/04/97/17/363049717.db2.gz RTDUYWMBFGXEFD-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070178240 363048534 /nfs/dbraw/zinc/04/85/34/363048534.db2.gz AIEVMVZQFZPFSC-SWLSCSKDSA-N 1 0 277.368 2.197 20 5 CEBDRO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000120797908 186926456 /nfs/dbraw/zinc/92/64/56/186926456.db2.gz CZQKIVJNGPWZCW-GXTWGEPZSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccnc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000070495784 363091730 /nfs/dbraw/zinc/09/17/30/363091730.db2.gz DNBPDXJVRWVTMU-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](C)C[NH+](C)C ZINC000291722858 198070075 /nfs/dbraw/zinc/07/00/75/198070075.db2.gz MVYXEANQKAEAQC-LLVKDONJSA-N 1 0 265.357 2.191 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860060 187055901 /nfs/dbraw/zinc/05/59/01/187055901.db2.gz XVAZGBIMWSAMSG-BXUZGUMPSA-N 1 0 280.324 2.051 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130589436 187506392 /nfs/dbraw/zinc/50/63/92/187506392.db2.gz SPUPBFFHGOLPPS-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000133468650 187686800 /nfs/dbraw/zinc/68/68/00/187686800.db2.gz HHYFJGINAGRTST-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000134489967 187753657 /nfs/dbraw/zinc/75/36/57/187753657.db2.gz JEFSYSHCSGALNK-LLVKDONJSA-N 1 0 264.325 2.500 20 5 CEBDRO CCOC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292150103 198181893 /nfs/dbraw/zinc/18/18/93/198181893.db2.gz NKYVFVJTKIYVNN-UHFFFAOYSA-N 1 0 280.324 2.373 20 5 CEBDRO CCCCC[N@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154255260 188131848 /nfs/dbraw/zinc/13/18/48/188131848.db2.gz LGGHLWJGCRYYNW-OAHLLOKOSA-N 1 0 296.367 2.113 20 5 CEBDRO C[C@@H]1[C@H](C)OCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156162746 188245964 /nfs/dbraw/zinc/24/59/64/188245964.db2.gz ZYDFNDOPJBJTHO-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000073842840 363257773 /nfs/dbraw/zinc/25/77/73/363257773.db2.gz UJGLUKRKMKBZCU-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495626761 291056789 /nfs/dbraw/zinc/05/67/89/291056789.db2.gz QYMTWNLEDRWTNG-JTQLQIEISA-N 1 0 293.323 2.004 20 5 CEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000271839882 191360604 /nfs/dbraw/zinc/36/06/04/191360604.db2.gz QBHJXPORBAHBAD-UHFFFAOYSA-N 1 0 292.295 2.177 20 5 CEBDRO CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272129776 191531330 /nfs/dbraw/zinc/53/13/30/191531330.db2.gz RXGWGBLZKCWNQC-CMPLNLGQSA-N 1 0 279.340 2.112 20 5 CEBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cn1 ZINC000075321198 363458114 /nfs/dbraw/zinc/45/81/14/363458114.db2.gz APNMTPSOODTTCW-UHFFFAOYSA-N 1 0 255.343 2.424 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451941462 283148082 /nfs/dbraw/zinc/14/80/82/283148082.db2.gz YQXYGFIMRWBMKI-LERXQTSPSA-N 1 0 280.324 2.049 20 5 CEBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000273722341 192278589 /nfs/dbraw/zinc/27/85/89/192278589.db2.gz GVQCSZAMNYXWHC-KGLIPLIRSA-N 1 0 299.334 2.242 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452101031 283187581 /nfs/dbraw/zinc/18/75/81/283187581.db2.gz RJYBNWXBKKBBFR-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO COCCOC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000075950234 363500003 /nfs/dbraw/zinc/50/00/03/363500003.db2.gz HUKLUHXVSGTSMG-AWEZNQCLSA-N 1 0 294.351 2.080 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344273 299254934 /nfs/dbraw/zinc/25/49/34/299254934.db2.gz QXLPDDKTNDCEKE-CQSZACIVSA-N 1 0 286.335 2.377 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414658074 236434277 /nfs/dbraw/zinc/43/42/77/236434277.db2.gz LBKJTDVGXGOGAF-JQWIXIFHSA-N 1 0 292.339 2.023 20 5 CEBDRO CCC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000577948761 366419411 /nfs/dbraw/zinc/41/94/11/366419411.db2.gz ZTPOIACUQZASGS-LBPRGKRZSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000135461281 366442099 /nfs/dbraw/zinc/44/20/99/366442099.db2.gz SMSSPGUNVIYROR-SNVBAGLBSA-N 1 0 250.298 2.160 20 5 CEBDRO Cc1cc(=O)n(CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000578380226 366486132 /nfs/dbraw/zinc/48/61/32/366486132.db2.gz WVIYOYXAHLUIPX-TXEJJXNPSA-N 1 0 293.367 2.043 20 5 CEBDRO Cn1nccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080346921 363658405 /nfs/dbraw/zinc/65/84/05/363658405.db2.gz LNJAKNPELWWPIE-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO COCc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])no1 ZINC000297329931 200150542 /nfs/dbraw/zinc/15/05/42/200150542.db2.gz CRVCVGKRPOPZND-UHFFFAOYSA-N 1 0 291.307 2.062 20 5 CEBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000578983279 366574546 /nfs/dbraw/zinc/57/45/46/366574546.db2.gz YDDPPEABPMKIEI-HZMBPMFUSA-N 1 0 286.335 2.317 20 5 CEBDRO Cn1cncc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298032029 200320173 /nfs/dbraw/zinc/32/01/73/200320173.db2.gz GCFDRJNXDQJDBH-UHFFFAOYSA-N 1 0 288.351 2.396 20 5 CEBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257766 366633048 /nfs/dbraw/zinc/63/30/48/366633048.db2.gz IYALZCBCRBRYEK-GWCFXTLKSA-N 1 0 290.323 2.298 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151917079 366676339 /nfs/dbraw/zinc/67/63/39/366676339.db2.gz GTTUUIKVFCHOKY-FZMZJTMJSA-N 1 0 278.352 2.276 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177549255 189056525 /nfs/dbraw/zinc/05/65/25/189056525.db2.gz SNJVSJXEKYFGJM-NEPJUHHUSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000178235141 189099770 /nfs/dbraw/zinc/09/97/70/189099770.db2.gz GFAJUZQEMJHYQF-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178632966 189132351 /nfs/dbraw/zinc/13/23/51/189132351.db2.gz YTEPWAOGTGYKHO-UHFFFAOYSA-N 1 0 294.355 2.399 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000571633090 299319122 /nfs/dbraw/zinc/31/91/22/299319122.db2.gz VEEBTLSMVKZBQF-FOGDFJRCSA-N 1 0 250.298 2.077 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000181162910 189289669 /nfs/dbraw/zinc/28/96/69/189289669.db2.gz FYWNIEOGKUVRAI-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO CC(C)[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000579826003 366708474 /nfs/dbraw/zinc/70/84/74/366708474.db2.gz YVDGBWMVKNMWFH-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)CC(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000020043103 361574690 /nfs/dbraw/zinc/57/46/90/361574690.db2.gz SPASYUWUSRJOAG-UHFFFAOYSA-N 1 0 265.357 2.272 20 5 CEBDRO COc1ccc(NC(=O)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000026157643 361636142 /nfs/dbraw/zinc/63/61/42/361636142.db2.gz IQKISCHYVGWGJX-UHFFFAOYSA-N 1 0 293.323 2.028 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147771 363879122 /nfs/dbraw/zinc/87/91/22/363879122.db2.gz ZKYXPJAYLFYUKR-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089511977 363975316 /nfs/dbraw/zinc/97/53/16/363975316.db2.gz AJJVZNVUFMROBX-AAEUAGOBSA-N 1 0 263.341 2.025 20 5 CEBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549760 364061567 /nfs/dbraw/zinc/06/15/67/364061567.db2.gz SHRVROAEVRUNNV-AWEZNQCLSA-N 1 0 293.367 2.267 20 5 CEBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537880 364061813 /nfs/dbraw/zinc/06/18/13/364061813.db2.gz HKGWANRBJFOVNY-JTQLQIEISA-N 1 0 286.401 2.301 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccco3)C2)nc1 ZINC000093534213 364197562 /nfs/dbraw/zinc/19/75/62/364197562.db2.gz OZWNLAUBPLFRMM-NSHDSACASA-N 1 0 288.307 2.269 20 5 CEBDRO COc1cc(CNCc2ccco2)c([N+](=O)[O-])cc1O ZINC000101588726 364565127 /nfs/dbraw/zinc/56/51/27/364565127.db2.gz ZKNPVHIGCXEIDY-UHFFFAOYSA-N 1 0 278.264 2.192 20 5 CEBDRO COc1cc(NCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000104245041 364688496 /nfs/dbraw/zinc/68/84/96/364688496.db2.gz IUILKXNHYGLJPV-UHFFFAOYSA-N 1 0 265.313 2.111 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000111829386 364762260 /nfs/dbraw/zinc/76/22/60/364762260.db2.gz FUHBQZJTRXUOPS-NSHDSACASA-N 1 0 279.340 2.006 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000112309507 364789612 /nfs/dbraw/zinc/78/96/12/364789612.db2.gz XEIIGGYSTGBNQG-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000112989207 364866091 /nfs/dbraw/zinc/86/60/91/364866091.db2.gz YCBJDCLJIWKIBP-GFCCVEGCSA-N 1 0 264.325 2.453 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537083 193070716 /nfs/dbraw/zinc/07/07/16/193070716.db2.gz YBCNVEGAHNSOQS-ZDUSSCGKSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000159096333 366877168 /nfs/dbraw/zinc/87/71/68/366877168.db2.gz YZJTXUYLASKLNZ-FZMZJTMJSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1ccc(C[NH2+][C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120249250 365395250 /nfs/dbraw/zinc/39/52/50/365395250.db2.gz NJVZMYGVOSMMIA-ZDUSSCGKSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000159251834 366894621 /nfs/dbraw/zinc/89/46/21/366894621.db2.gz XLQXAHUYEYZLAC-AAEUAGOBSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000162592899 367172958 /nfs/dbraw/zinc/17/29/58/367172958.db2.gz VDDTYIOOABCZKH-GFCCVEGCSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1nn(C)c(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341135963 367189912 /nfs/dbraw/zinc/18/99/12/367189912.db2.gz ZDBGPNNTOAUCRN-GHMZBOCLSA-N 1 0 295.387 2.312 20 5 CEBDRO CCN(CCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167349708 367338808 /nfs/dbraw/zinc/33/88/08/367338808.db2.gz OWKPCXQNNATTFU-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766129 367410616 /nfs/dbraw/zinc/41/06/16/367410616.db2.gz LWCQSUQZJVQMQW-LBPRGKRZSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000174419157 368021911 /nfs/dbraw/zinc/02/19/11/368021911.db2.gz XJZCAZSTQCWHAB-LLVKDONJSA-N 1 0 250.298 2.458 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000174814065 368070505 /nfs/dbraw/zinc/07/05/05/368070505.db2.gz JDQVWSZFKRTEFK-UHFFFAOYSA-N 1 0 286.335 2.460 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176189018 368210463 /nfs/dbraw/zinc/21/04/63/368210463.db2.gz YKGJJZNEKDXKGA-LLVKDONJSA-N 1 0 252.318 2.056 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cc[nH]n1)C1CC1 ZINC000177954691 368284185 /nfs/dbraw/zinc/28/41/85/368284185.db2.gz JPDJLONMPZVIRK-AWEZNQCLSA-N 1 0 286.335 2.429 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180454543 368381524 /nfs/dbraw/zinc/38/15/24/368381524.db2.gz UBGBQACLHHHJGV-LLVKDONJSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181566036 368470641 /nfs/dbraw/zinc/47/06/41/368470641.db2.gz FUPZRVPQMMLGPO-LBPRGKRZSA-N 1 0 282.340 2.065 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182313615 368550845 /nfs/dbraw/zinc/55/08/45/368550845.db2.gz PJSHLQBYFRHNLP-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338679 368642791 /nfs/dbraw/zinc/64/27/91/368642791.db2.gz RTZLZVDSFJFWJQ-BEARMHNFSA-N 1 0 288.347 2.311 20 5 CEBDRO COc1cccc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000185167211 368759106 /nfs/dbraw/zinc/75/91/06/368759106.db2.gz OWYZYNNHZLVGAV-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346692061 368774624 /nfs/dbraw/zinc/77/46/24/368774624.db2.gz XNQVOHIPMJHTLK-DGCLKSJQSA-N 1 0 292.335 2.287 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695192 368777356 /nfs/dbraw/zinc/77/73/56/368777356.db2.gz YUFZNHNVLQDLKM-WCQYABFASA-N 1 0 263.341 2.072 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)CC(C)C ZINC000185344488 368792214 /nfs/dbraw/zinc/79/22/14/368792214.db2.gz HNEOSASKENRYJV-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000187997780 369273868 /nfs/dbraw/zinc/27/38/68/369273868.db2.gz OKWFNBDLJZTHMU-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000349403045 369318859 /nfs/dbraw/zinc/31/88/59/369318859.db2.gz BFPZYMVFZAWDAS-NBOVPLECSA-N 1 0 276.336 2.311 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189111026 369458964 /nfs/dbraw/zinc/45/89/64/369458964.db2.gz IPSPPBXWVCPALG-QWRGUYRKSA-N 1 0 252.314 2.416 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276175093 193233204 /nfs/dbraw/zinc/23/32/04/193233204.db2.gz DJIGMRWJEKBFFD-NSHDSACASA-N 1 0 299.758 2.381 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cnccn1 ZINC000350035316 369488403 /nfs/dbraw/zinc/48/84/03/369488403.db2.gz IEMLVDMFFHQBIW-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189314241 369494932 /nfs/dbraw/zinc/49/49/32/369494932.db2.gz QAHFCOZSGOEMBF-GZMMTYOYSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189678087 369558735 /nfs/dbraw/zinc/55/87/35/369558735.db2.gz RBUGWFIBANDZEQ-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190054342 369592609 /nfs/dbraw/zinc/59/26/09/369592609.db2.gz LEXFWUZYCVEIRW-RISCZKNCSA-N 1 0 264.325 2.106 20 5 CEBDRO COC(=O)[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191791007 369743206 /nfs/dbraw/zinc/74/32/06/369743206.db2.gz VUVLDGYYZNBISE-ONGXEEELSA-N 1 0 298.364 2.287 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192463826 369816502 /nfs/dbraw/zinc/81/65/02/369816502.db2.gz LUVCGCWYJSNYRU-NXEZZACHSA-N 1 0 284.385 2.218 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000193380663 369935380 /nfs/dbraw/zinc/93/53/80/369935380.db2.gz XCRCHNKDYVDELM-UHFFFAOYSA-N 1 0 276.340 2.216 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150131 370040580 /nfs/dbraw/zinc/04/05/80/370040580.db2.gz IPIIDBINYFEXQZ-HIFRSBDPSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353152734 370042383 /nfs/dbraw/zinc/04/23/83/370042383.db2.gz MUJLVSYYVPKOBP-AWEZNQCLSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000194559251 370052557 /nfs/dbraw/zinc/05/25/57/370052557.db2.gz AKSZNLMVMGGQIG-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000217371189 370195019 /nfs/dbraw/zinc/19/50/19/370195019.db2.gz SYSPLXDBRLCNFI-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+]1CCCC1 ZINC000277077103 193548438 /nfs/dbraw/zinc/54/84/38/193548438.db2.gz JMEZEWSEHBBFBJ-JTQLQIEISA-N 1 0 296.346 2.460 20 5 CEBDRO Cc1nc(NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000227307063 370366155 /nfs/dbraw/zinc/36/61/55/370366155.db2.gz MQZMJNPUEBEJAO-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031358 370392569 /nfs/dbraw/zinc/39/25/69/370392569.db2.gz JCNHYSMDRYUHOQ-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[NH+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227647649 370378392 /nfs/dbraw/zinc/37/83/92/370378392.db2.gz BKVJOJCONBCJBK-UHFFFAOYSA-N 1 0 258.709 2.007 20 5 CEBDRO COC(=O)c1cc(NC[C@@H](C)[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000277212511 193585883 /nfs/dbraw/zinc/58/58/83/193585883.db2.gz ZBGACFNDAMLANG-SNVBAGLBSA-N 1 0 295.339 2.052 20 5 CEBDRO Cc1c(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229920214 370435004 /nfs/dbraw/zinc/43/50/04/370435004.db2.gz YYFGERHUHOWCTI-SMDDNHRTSA-N 1 0 277.368 2.333 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000230667341 370462551 /nfs/dbraw/zinc/46/25/51/370462551.db2.gz DBBUEVCQWRRIOI-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235684402 370573356 /nfs/dbraw/zinc/57/33/56/370573356.db2.gz XMFOPKZCOISDIN-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1cc(NC[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000235894419 370579667 /nfs/dbraw/zinc/57/96/67/370579667.db2.gz JHZDPLAEUXWREW-GFCCVEGCSA-N 1 0 297.261 2.489 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000358340398 371022500 /nfs/dbraw/zinc/02/25/00/371022500.db2.gz LCVCLJIYMGXNHT-GFCCVEGCSA-N 1 0 263.341 2.260 20 5 CEBDRO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000247843021 371144378 /nfs/dbraw/zinc/14/43/78/371144378.db2.gz LLVNIXNKPFFBRI-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO COc1cccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000358654267 371157724 /nfs/dbraw/zinc/15/77/24/371157724.db2.gz SRQNRYJFBOADHD-WDEREUQCSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248422988 371192953 /nfs/dbraw/zinc/19/29/53/371192953.db2.gz YWMJYCGISZZMRJ-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248370078 371181940 /nfs/dbraw/zinc/18/19/40/371181940.db2.gz XANBIPYFZAPLLP-GWCFXTLKSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248649506 371230277 /nfs/dbraw/zinc/23/02/77/371230277.db2.gz ULEHKVWWCMCZOT-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252137513 371432998 /nfs/dbraw/zinc/43/29/98/371432998.db2.gz LSBYOOXXPXCPGG-SMDDNHRTSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252702207 371471047 /nfs/dbraw/zinc/47/10/47/371471047.db2.gz GVGRYTWUNIZQAP-STQMWFEESA-N 1 0 291.351 2.178 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187939 371501022 /nfs/dbraw/zinc/50/10/22/371501022.db2.gz JNFHSTYBIPYQCE-WCQYABFASA-N 1 0 263.341 2.012 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000361046009 371619953 /nfs/dbraw/zinc/61/99/53/371619953.db2.gz ZGXKPMSJJDIDDI-CYBMUJFWSA-N 1 0 292.383 2.192 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261608191 371674729 /nfs/dbraw/zinc/67/47/29/371674729.db2.gz BMYZUCGODVBJKV-INIZCTEOSA-N 1 0 298.346 2.136 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261778536 371727837 /nfs/dbraw/zinc/72/78/37/371727837.db2.gz PIMLVSPVIQUPFE-IUODEOHRSA-N 1 0 275.352 2.341 20 5 CEBDRO Cc1c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000261637615 371686356 /nfs/dbraw/zinc/68/63/56/371686356.db2.gz CCQLLGDSRIRWGR-UONOGXRCSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000344146343 217073342 /nfs/dbraw/zinc/07/33/42/217073342.db2.gz PTOYFSCYAOJJSW-DGCLKSJQSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344167678 217083116 /nfs/dbraw/zinc/08/31/16/217083116.db2.gz NQRAEFNENHOCDR-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344172234 217085368 /nfs/dbraw/zinc/08/53/68/217085368.db2.gz SLSDZUCIOTXRKQ-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965641 372148331 /nfs/dbraw/zinc/14/83/31/372148331.db2.gz IBIIOLJESVYTJW-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965314 372148756 /nfs/dbraw/zinc/14/87/56/372148756.db2.gz GQEKQJLLQCKITO-GZMMTYOYSA-N 1 0 274.267 2.180 20 5 CEBDRO CC(C)[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269056154 372327586 /nfs/dbraw/zinc/32/75/86/372327586.db2.gz RADMHVQLZKCMDI-CQSZACIVSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000362447567 372365465 /nfs/dbraw/zinc/36/54/65/372365465.db2.gz LJAZNDROBYBGRE-VXGBXAGGSA-N 1 0 291.351 2.430 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000270163898 372684284 /nfs/dbraw/zinc/68/42/84/372684284.db2.gz JZPPSSSZJVHCBU-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000344836273 217327504 /nfs/dbraw/zinc/32/75/04/217327504.db2.gz VNAGVNKQLRSZSL-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO COCCOCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870118 217339643 /nfs/dbraw/zinc/33/96/43/217339643.db2.gz XGHIUXQSDSWKCC-JLHYYAGUSA-N 1 0 294.351 2.251 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272068303 373291898 /nfs/dbraw/zinc/29/18/98/373291898.db2.gz DWAQICWQZAFHBA-RISCZKNCSA-N 1 0 293.367 2.358 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353589012 220176790 /nfs/dbraw/zinc/17/67/90/220176790.db2.gz FKHWSDCZVNRQLT-VUDGCMKMSA-N 1 0 275.352 2.244 20 5 CEBDRO COc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000344951937 217366341 /nfs/dbraw/zinc/36/63/41/217366341.db2.gz KIXNWRKODQFFBL-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC=CO3)CC2)n1 ZINC000369583278 373460891 /nfs/dbraw/zinc/46/08/91/373460891.db2.gz AQZXNMXPGDSJEL-CYBMUJFWSA-N 1 0 292.339 2.121 20 5 CEBDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000371152187 373803251 /nfs/dbraw/zinc/80/32/51/373803251.db2.gz UJIQGOVDRQZROR-GFCCVEGCSA-N 1 0 292.335 2.226 20 5 CEBDRO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371307826 373837565 /nfs/dbraw/zinc/83/75/65/373837565.db2.gz IOPMRTAPOXZFFX-GFCCVEGCSA-N 1 0 289.335 2.265 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274420697 373915570 /nfs/dbraw/zinc/91/55/70/373915570.db2.gz DHONEOXDGBVQGB-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO CC(C)(O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274794643 374053198 /nfs/dbraw/zinc/05/31/98/374053198.db2.gz ZLJNNHCPGBDKLU-UHFFFAOYSA-N 1 0 272.732 2.499 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274928020 374098605 /nfs/dbraw/zinc/09/86/05/374098605.db2.gz NNPWIYUGRODOKA-CFVMTHIKSA-N 1 0 294.351 2.185 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373329323 374330170 /nfs/dbraw/zinc/33/01/70/374330170.db2.gz WICBQKVWWYVIGD-OAHLLOKOSA-N 1 0 276.336 2.250 20 5 CEBDRO CCOc1cc(C[N@H+](CC)CCCO)ccc1[N+](=O)[O-] ZINC000276903951 374341956 /nfs/dbraw/zinc/34/19/56/374341956.db2.gz MAXXOXBTBCHTES-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000374048595 374474795 /nfs/dbraw/zinc/47/47/95/374474795.db2.gz FXJPGYNEHLYHHW-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO Cc1nc(N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000277700301 374616040 /nfs/dbraw/zinc/61/60/40/374616040.db2.gz DACAAAHKWJTVKT-UHFFFAOYSA-N 1 0 266.345 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)nc1 ZINC000277971658 374697595 /nfs/dbraw/zinc/69/75/95/374697595.db2.gz UYRBRJFVSYTXJG-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000382458021 375185845 /nfs/dbraw/zinc/18/58/45/375185845.db2.gz LAXXWLQZQIHCJZ-BDAKNGLRSA-N 1 0 270.720 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000389756741 375307330 /nfs/dbraw/zinc/30/73/30/375307330.db2.gz WXZFVZUTDZDELY-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[NH+](C)CC1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000282124217 375409429 /nfs/dbraw/zinc/40/94/29/375409429.db2.gz FVQGIVCXUUOALG-UHFFFAOYSA-N 1 0 281.331 2.308 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282214334 375430754 /nfs/dbraw/zinc/43/07/54/375430754.db2.gz DMSMXZWMVHYAEW-CHWSQXEVSA-N 1 0 294.351 2.473 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937048 375618327 /nfs/dbraw/zinc/61/83/27/375618327.db2.gz YQIXRXFLUGIUQK-ZWNOBZJWSA-N 1 0 297.330 2.110 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283208727 375674017 /nfs/dbraw/zinc/67/40/17/375674017.db2.gz RUSCIZOXDKSWMS-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283435408 375708271 /nfs/dbraw/zinc/70/82/71/375708271.db2.gz CPNLQKVRMLNDPM-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283880937 375776583 /nfs/dbraw/zinc/77/65/83/375776583.db2.gz CDYMNCZSASPZNV-LLVKDONJSA-N 1 0 286.335 2.465 20 5 CEBDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284080615 375805913 /nfs/dbraw/zinc/80/59/13/375805913.db2.gz NMWUYTURGCAMIW-SNVBAGLBSA-N 1 0 279.340 2.133 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000414652668 375902177 /nfs/dbraw/zinc/90/21/77/375902177.db2.gz DRNBUULHTKXXOB-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414657513 375903851 /nfs/dbraw/zinc/90/38/51/375903851.db2.gz KELDAAQVEQAAOX-PWSUYJOCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414668007 375909845 /nfs/dbraw/zinc/90/98/45/375909845.db2.gz YJKGRBIAIAPRLK-CABZTGNLSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414581699 375867021 /nfs/dbraw/zinc/86/70/21/375867021.db2.gz RCKPLBPKTUUMKS-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1c(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414707990 375933641 /nfs/dbraw/zinc/93/36/41/375933641.db2.gz PTWBBBDYMDWXGX-AWEZNQCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1c(NC(=O)NC2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000414712909 375935626 /nfs/dbraw/zinc/93/56/26/375935626.db2.gz UPOMQDWCUHECHS-UHFFFAOYSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000414718785 375938210 /nfs/dbraw/zinc/93/82/10/375938210.db2.gz ZQMKSYPCLFQZRH-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO [NH3+]C[C@H]1CCCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414805239 375991840 /nfs/dbraw/zinc/99/18/40/375991840.db2.gz PKPKCUDIBLSYII-GHMZBOCLSA-N 1 0 269.370 2.263 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359565 376214910 /nfs/dbraw/zinc/21/49/10/376214910.db2.gz LUTNWRUTQLZEKR-JTQLQIEISA-N 1 0 297.311 2.096 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000287593129 376269935 /nfs/dbraw/zinc/26/99/35/376269935.db2.gz YJGNWLONWIRIRY-SNVBAGLBSA-N 1 0 270.304 2.327 20 5 CEBDRO CC[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419178814 376388933 /nfs/dbraw/zinc/38/89/33/376388933.db2.gz CEJRQGREVDELMO-CYBMUJFWSA-N 1 0 293.367 2.142 20 5 CEBDRO CCn1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289672398 376439535 /nfs/dbraw/zinc/43/95/35/376439535.db2.gz ZDDNNCXTVPNUNJ-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263732712 190075449 /nfs/dbraw/zinc/07/54/49/190075449.db2.gz QGDVSAUTYWXTEE-LLVKDONJSA-N 1 0 250.298 2.315 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263748980 190076417 /nfs/dbraw/zinc/07/64/17/190076417.db2.gz SGALQCOBEILLRR-SNVBAGLBSA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000556953309 376523831 /nfs/dbraw/zinc/52/38/31/376523831.db2.gz HUFYIGMDFHFBCF-LLVKDONJSA-N 1 0 269.370 2.182 20 5 CEBDRO [NH3+]CCN(Cc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000289802230 376507588 /nfs/dbraw/zinc/50/75/88/376507588.db2.gz MUXBBFFNZLXWKI-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000556959036 376526462 /nfs/dbraw/zinc/52/64/62/376526462.db2.gz NMIQFQJVMNWSPL-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000420191225 376603354 /nfs/dbraw/zinc/60/33/54/376603354.db2.gz HMKHAMKMDAFXGU-SECBINFHSA-N 1 0 265.313 2.065 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420196448 376606298 /nfs/dbraw/zinc/60/62/98/376606298.db2.gz LBBFZJQUPXSDTQ-QMMMGPOBSA-N 1 0 289.282 2.464 20 5 CEBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000289969943 376581936 /nfs/dbraw/zinc/58/19/36/376581936.db2.gz YXRSBBQWBQZSSJ-LLVKDONJSA-N 1 0 298.339 2.127 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1 ZINC000312707538 376725512 /nfs/dbraw/zinc/72/55/12/376725512.db2.gz SIQOJKFOYUELMX-UONOGXRCSA-N 1 0 278.352 2.483 20 5 CEBDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602384 376677952 /nfs/dbraw/zinc/67/79/52/376677952.db2.gz CVWUROPSTUSCJR-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000420632058 376699202 /nfs/dbraw/zinc/69/92/02/376699202.db2.gz WFUHNBXXISYHNY-UHFFFAOYSA-N 1 0 270.358 2.336 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000313802917 376753519 /nfs/dbraw/zinc/75/35/19/376753519.db2.gz GLXUFERDEZCWMC-NSHDSACASA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C[N@@H+]1C1CC1 ZINC000290495211 376803214 /nfs/dbraw/zinc/80/32/14/376803214.db2.gz AHUGEGMWSCJKPG-IUCAKERBSA-N 1 0 294.330 2.353 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000290735819 376900407 /nfs/dbraw/zinc/90/04/07/376900407.db2.gz QYWFDGMMZHMXFL-SNVBAGLBSA-N 1 0 252.318 2.130 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290831886 376945742 /nfs/dbraw/zinc/94/57/42/376945742.db2.gz URXBELLAUQPDTA-MWLCHTKSSA-N 1 0 276.340 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423187553 377100333 /nfs/dbraw/zinc/10/03/33/377100333.db2.gz KVZMYBCTCXYVNT-HUUCEWRRSA-N 1 0 289.379 2.258 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423209817 377127463 /nfs/dbraw/zinc/12/74/63/377127463.db2.gz VVJJCHCQDNRYPV-JQWIXIFHSA-N 1 0 279.340 2.006 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000292900738 377341478 /nfs/dbraw/zinc/34/14/78/377341478.db2.gz WQLADYHWYZCQSM-TXEJJXNPSA-N 1 0 293.367 2.270 20 5 CEBDRO CC[C@@H](F)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331281201 377357946 /nfs/dbraw/zinc/35/79/46/377357946.db2.gz FTCRZVRMWVWOQC-SNVBAGLBSA-N 1 0 270.308 2.176 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1[N+](=O)[O-] ZINC000293191270 377464644 /nfs/dbraw/zinc/46/46/44/377464644.db2.gz QFTBFZQVWAUHGJ-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332260869 377553243 /nfs/dbraw/zinc/55/32/43/377553243.db2.gz VLBRKGAIVXDHJO-RRFJBIMHSA-N 1 0 290.363 2.496 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313060102 249377278 /nfs/dbraw/zinc/37/72/78/249377278.db2.gz GLHSRNGSUIKGFG-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000293918420 377826203 /nfs/dbraw/zinc/82/62/03/377826203.db2.gz SKLMUSDSIXKHBC-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872210 377797768 /nfs/dbraw/zinc/79/77/68/377797768.db2.gz YGWURPHETMENFV-VXGBXAGGSA-N 1 0 265.357 2.443 20 5 CEBDRO C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872201 377798921 /nfs/dbraw/zinc/79/89/21/377798921.db2.gz YGWURPHETMENFV-NEPJUHHUSA-N 1 0 265.357 2.443 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000266024358 190223927 /nfs/dbraw/zinc/22/39/27/190223927.db2.gz RMJNOOJJSNYUMB-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCO ZINC000442964603 378023480 /nfs/dbraw/zinc/02/34/80/378023480.db2.gz IQZRIWPMKWEBLU-FMIVXFBMSA-N 1 0 264.325 2.312 20 5 CEBDRO C[C@]1(F)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295325302 378107108 /nfs/dbraw/zinc/10/71/08/378107108.db2.gz GWYCXIWEQZNVFW-KGLIPLIRSA-N 1 0 282.315 2.452 20 5 CEBDRO Cc1nc(NCCC[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000296237630 378463567 /nfs/dbraw/zinc/46/35/67/378463567.db2.gz FDIJUZKBCNBHHT-UHFFFAOYSA-N 1 0 293.371 2.227 20 5 CEBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346653243 217976652 /nfs/dbraw/zinc/97/66/52/217976652.db2.gz PAIJPFVTOLQEKL-LBPRGKRZSA-N 1 0 287.319 2.388 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498858 378746842 /nfs/dbraw/zinc/74/68/42/378746842.db2.gz MWTGLIIVQSKJQP-NXEZZACHSA-N 1 0 295.364 2.013 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000346825141 218024320 /nfs/dbraw/zinc/02/43/20/218024320.db2.gz LHLXCNJKEQMVGM-HNNXBMFYSA-N 1 0 277.368 2.477 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765023 378824327 /nfs/dbraw/zinc/82/43/27/378824327.db2.gz SAXGAWUYWAKZTF-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257391 378844914 /nfs/dbraw/zinc/84/49/14/378844914.db2.gz NCGUGEZIKXUHSA-SMDDNHRTSA-N 1 0 282.340 2.033 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000453614833 378922325 /nfs/dbraw/zinc/92/23/25/378922325.db2.gz DYBXKMSERSLOJS-UHFFFAOYSA-N 1 0 297.330 2.192 20 5 CEBDRO CCC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299345569 378969567 /nfs/dbraw/zinc/96/95/67/378969567.db2.gz FURRCEZHWIFNAK-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347069743 218112313 /nfs/dbraw/zinc/11/23/13/218112313.db2.gz OSJXTCBHZBUKKO-SUXDSQMHSA-N 1 0 287.363 2.434 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000347467803 218245126 /nfs/dbraw/zinc/24/51/26/218245126.db2.gz FDIVZZMBQMOYAM-SECBINFHSA-N 1 0 258.343 2.249 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000300489173 379175696 /nfs/dbraw/zinc/17/56/96/379175696.db2.gz XODWJAVQEBIEHI-SSDOTTSWSA-N 1 0 259.256 2.140 20 5 CEBDRO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000303984183 379503325 /nfs/dbraw/zinc/50/33/25/379503325.db2.gz HNYPVAYWEBFHSA-VIFPVBQESA-N 1 0 258.343 2.248 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CC1 ZINC000289441902 197349554 /nfs/dbraw/zinc/34/95/54/197349554.db2.gz MBTHKGSQKLUQHB-IAQYHMDHSA-N 1 0 278.352 2.276 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489415887 380186518 /nfs/dbraw/zinc/18/65/18/380186518.db2.gz RTWFWDPBRSOPOP-BXUZGUMPSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)OCCO ZINC000548767833 380560800 /nfs/dbraw/zinc/56/08/00/380560800.db2.gz XDIRLUYERMQRKX-GFCCVEGCSA-N 1 0 296.367 2.341 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279284596 194368056 /nfs/dbraw/zinc/36/80/56/194368056.db2.gz OUJAWKRQCIWKJB-UPJWGTAASA-N 1 0 294.351 2.113 20 5 CEBDRO CCC(CC)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575741927 299567792 /nfs/dbraw/zinc/56/77/92/299567792.db2.gz XSOKLQPHJNCOMS-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000185079904 285111345 /nfs/dbraw/zinc/11/13/45/285111345.db2.gz HUMHGXVLJAJHQR-CQSZACIVSA-N 1 0 290.319 2.444 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247421230 285113566 /nfs/dbraw/zinc/11/35/66/285113566.db2.gz YZTNHFZJWLBNNN-ZIAGYGMSSA-N 1 0 294.376 2.301 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000250143415 285160734 /nfs/dbraw/zinc/16/07/34/285160734.db2.gz ZLAQUTRUIYNTNG-SCRDCRAPSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000294825796 285161958 /nfs/dbraw/zinc/16/19/58/285161958.db2.gz KZGXDAIJCKPBCZ-SPWCGHHHSA-N 1 0 290.363 2.419 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000408472750 285177071 /nfs/dbraw/zinc/17/70/71/285177071.db2.gz WUCLPSDKFSIUAQ-NSHDSACASA-N 1 0 294.330 2.194 20 5 CEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354079011 220534448 /nfs/dbraw/zinc/53/44/48/220534448.db2.gz BHSUYPROVSZDTM-LBPRGKRZSA-N 1 0 279.315 2.407 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)C1CC1 ZINC000288176889 197019509 /nfs/dbraw/zinc/01/95/09/197019509.db2.gz ATAREIZCYMUTKN-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453627 195247071 /nfs/dbraw/zinc/24/70/71/195247071.db2.gz QSULKTVAPOTZJM-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412089618 533219407 /nfs/dbraw/zinc/21/94/07/533219407.db2.gz TULQPDAVYFMSQK-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO COCC[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000081715082 177843423 /nfs/dbraw/zinc/84/34/23/177843423.db2.gz LOSCSGNRIPSPME-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000281589741 195298616 /nfs/dbraw/zinc/29/86/16/195298616.db2.gz CHACATIJSPUKJI-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCO1 ZINC000237948400 131067967 /nfs/dbraw/zinc/06/79/67/131067967.db2.gz RHZUFVKRCZNSSM-VUUYWXRKSA-N 1 0 262.309 2.377 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000261602326 131155432 /nfs/dbraw/zinc/15/54/32/131155432.db2.gz BZCZTXVVBLAYCQ-DRCTWCGVSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1ccc(CN(CCO)Cc2ccccc2[N+](=O)[O-])o1 ZINC000355646056 394486712 /nfs/dbraw/zinc/48/67/12/394486712.db2.gz AUEHNYCWTNTNJT-UHFFFAOYSA-N 1 0 290.319 2.491 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413142966 394491784 /nfs/dbraw/zinc/49/17/84/394491784.db2.gz WAQBOJMZVGMJJN-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305179817 394498868 /nfs/dbraw/zinc/49/88/68/394498868.db2.gz MZDUWIVVSGDMLW-ZDUSSCGKSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000413233316 394508761 /nfs/dbraw/zinc/50/87/61/394508761.db2.gz DATIEVPLXRBGEW-KCJUWKMLSA-N 1 0 268.292 2.024 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421361614 394510251 /nfs/dbraw/zinc/51/02/51/394510251.db2.gz LDYQXHFKHRFPTE-YPMHNXCESA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250989338 394566368 /nfs/dbraw/zinc/56/63/68/394566368.db2.gz XBOAPYJSYKJABR-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248567341 394542990 /nfs/dbraw/zinc/54/29/90/394542990.db2.gz PGVVQNZZNDHMJD-GRYCIOLGSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1cnc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413435335 394550276 /nfs/dbraw/zinc/55/02/76/394550276.db2.gz HFWNJMRISNADBS-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000266245282 394662646 /nfs/dbraw/zinc/66/26/46/394662646.db2.gz YQQACNCPSWAVMZ-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C[NH3+] ZINC000261684027 394605619 /nfs/dbraw/zinc/60/56/19/394605619.db2.gz HDIVSDMXFIEQAF-HZMBPMFUSA-N 1 0 281.331 2.293 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CC)cc1[N+](=O)[O-] ZINC000421876044 394624669 /nfs/dbraw/zinc/62/46/69/394624669.db2.gz KLGXHUDCVXTLIB-CMPLNLGQSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1sc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079694489 394632780 /nfs/dbraw/zinc/63/27/80/394632780.db2.gz XQTPQGCFMQPQGC-NSHDSACASA-N 1 0 297.380 2.035 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111829433 394741609 /nfs/dbraw/zinc/74/16/09/394741609.db2.gz OTGUGXYYHCEHGO-YBJDMEARSA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000356999379 394677030 /nfs/dbraw/zinc/67/70/30/394677030.db2.gz KLLGECZYJXPSAJ-CHWSQXEVSA-N 1 0 277.368 2.162 20 5 CEBDRO Cc1cnc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268109724 394689661 /nfs/dbraw/zinc/68/96/61/394689661.db2.gz CBVQRBSWIKXJBO-VXGBXAGGSA-N 1 0 278.356 2.075 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000357041634 394690124 /nfs/dbraw/zinc/69/01/24/394690124.db2.gz PEUFHTWYQWPOGE-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000269079293 394711775 /nfs/dbraw/zinc/71/17/75/394711775.db2.gz DLGMQKTUCRVOQO-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO [NH3+]C1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000414845658 394766911 /nfs/dbraw/zinc/76/69/11/394766911.db2.gz RHPKVCRZUZUTHF-UHFFFAOYSA-N 1 0 263.341 2.346 20 5 CEBDRO CCC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414875464 394782798 /nfs/dbraw/zinc/78/27/98/394782798.db2.gz UJKYFADYXAZBBF-UHFFFAOYSA-N 1 0 271.748 2.337 20 5 CEBDRO CC(=O)NCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121384527 394797646 /nfs/dbraw/zinc/79/76/46/394797646.db2.gz CSKRDHVDBYBFPZ-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO C[C@]1(CNCc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414910998 394801292 /nfs/dbraw/zinc/80/12/92/394801292.db2.gz SZJJFFCJOXUAQQ-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931555 394808163 /nfs/dbraw/zinc/80/81/63/394808163.db2.gz USKPHKPVSIJILM-MNOVXSKESA-N 1 0 267.304 2.093 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCC[NH2+]C1 ZINC000415066051 394872289 /nfs/dbraw/zinc/87/22/89/394872289.db2.gz INBLNIHRACVACA-HZRUHFOJSA-N 1 0 275.352 2.340 20 5 CEBDRO COCC[C@@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000336829832 394880226 /nfs/dbraw/zinc/88/02/26/394880226.db2.gz DPADDUZZGLEAJH-ZDUSSCGKSA-N 1 0 282.340 2.044 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000415084571 394881591 /nfs/dbraw/zinc/88/15/91/394881591.db2.gz OVJIMCDUUIKTKC-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361771 394900868 /nfs/dbraw/zinc/90/08/68/394900868.db2.gz MOHAEIDKOZVIFR-SUNKGSAMSA-N 1 0 263.341 2.243 20 5 CEBDRO C[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423362227 394901353 /nfs/dbraw/zinc/90/13/53/394901353.db2.gz MYHGHRBICZFGFI-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000415425533 394930870 /nfs/dbraw/zinc/93/08/70/394930870.db2.gz CKMPEEWVEHDJSK-SKDRFNHKSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc(NC(=O)NC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415422350 394931028 /nfs/dbraw/zinc/93/10/28/394931028.db2.gz WKVQGMWRSIZFNF-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C)CC1 ZINC000285983602 394995887 /nfs/dbraw/zinc/99/58/87/394995887.db2.gz CFWICNVVTMCMSQ-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000152631857 394997157 /nfs/dbraw/zinc/99/71/57/394997157.db2.gz GITDJQRVHJZDQJ-OCCSQVGLSA-N 1 0 278.356 2.373 20 5 CEBDRO COCC[N@H+](C)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286063332 395007502 /nfs/dbraw/zinc/00/75/02/395007502.db2.gz IPOSMPCUGCUDOZ-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286090111 395011099 /nfs/dbraw/zinc/01/10/99/395011099.db2.gz KGBBNYIKTKUOMF-LLVKDONJSA-N 1 0 278.356 2.463 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000286263842 395018309 /nfs/dbraw/zinc/01/83/09/395018309.db2.gz DACSJRQRRRJHGI-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135243814 394965165 /nfs/dbraw/zinc/96/51/65/394965165.db2.gz JWJLQHUACMBFHL-LBPRGKRZSA-N 1 0 297.330 2.179 20 5 CEBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])cc1F ZINC000494237208 395101783 /nfs/dbraw/zinc/10/17/83/395101783.db2.gz JNUNXUXWSURLIZ-LKFCYVNXSA-N 1 0 298.314 2.400 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110261 395092403 /nfs/dbraw/zinc/09/24/03/395092403.db2.gz KROUDXPRTWNKPP-SUXDSQMHSA-N 1 0 287.363 2.292 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000494459061 395115502 /nfs/dbraw/zinc/11/55/02/395115502.db2.gz TVYSZQIPLMHUJJ-OCCSQVGLSA-N 1 0 280.299 2.391 20 5 CEBDRO C[C@@H]1[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCC[N@@H+]1C ZINC000436360619 395111760 /nfs/dbraw/zinc/11/17/60/395111760.db2.gz NGWIGNOAKWAYSS-ZYHUDNBSSA-N 1 0 290.367 2.457 20 5 CEBDRO CNC(=O)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000291973492 395180943 /nfs/dbraw/zinc/18/09/43/395180943.db2.gz UFTQFVOEFFXSOT-ZANVPECISA-N 1 0 291.351 2.041 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000351760326 395232225 /nfs/dbraw/zinc/23/22/25/395232225.db2.gz UHNGWRSRXRLICS-ZJUUUORDSA-N 1 0 299.321 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCSCC2)cc1 ZINC000438997929 395243357 /nfs/dbraw/zinc/24/33/57/395243357.db2.gz SDKZAMCDCGIGAF-UHFFFAOYSA-N 1 0 296.392 2.285 20 5 CEBDRO Cc1c(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000420371774 395359286 /nfs/dbraw/zinc/35/92/86/395359286.db2.gz PRDOZRSADNQHGF-IXPVHAAZSA-N 1 0 277.368 2.379 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420374083 395360523 /nfs/dbraw/zinc/36/05/23/395360523.db2.gz RVTKNVBBYUXIHV-JRPNMDOOSA-N 1 0 293.367 2.080 20 5 CEBDRO C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420328241 395329547 /nfs/dbraw/zinc/32/95/47/395329547.db2.gz FEDBWIQZRQITHL-GHMZBOCLSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420336878 395334964 /nfs/dbraw/zinc/33/49/64/395334964.db2.gz QIKBPVVWHMKLAE-SMDDNHRTSA-N 1 0 281.331 2.289 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C[NH3+])C(C)(C)C ZINC000420356798 395345019 /nfs/dbraw/zinc/34/50/19/395345019.db2.gz GMZORDKRQNMWPZ-CYBMUJFWSA-N 1 0 281.356 2.066 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000420361730 395348717 /nfs/dbraw/zinc/34/87/17/395348717.db2.gz IIGSCKVSMSAJDA-JTNHKYCSSA-N 1 0 263.341 2.071 20 5 CEBDRO CC(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000444772522 395453523 /nfs/dbraw/zinc/45/35/23/395453523.db2.gz NUUXBHBLRUXABJ-CYBMUJFWSA-N 1 0 293.367 2.125 20 5 CEBDRO O=[N+]([O-])c1cn(CC[NH+]2CCCCC2)nc1C1CC1 ZINC000195046367 395457453 /nfs/dbraw/zinc/45/74/53/395457453.db2.gz PFCWKYMGWNWUOY-UHFFFAOYSA-N 1 0 264.329 2.155 20 5 CEBDRO COC[C@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549806682 395465184 /nfs/dbraw/zinc/46/51/84/395465184.db2.gz YMVOCXXNVSZDIS-GFCCVEGCSA-N 1 0 266.341 2.352 20 5 CEBDRO Cc1cccc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420642269 395400236 /nfs/dbraw/zinc/40/02/36/395400236.db2.gz VQKQPVUIEHYAGL-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000443856128 395401652 /nfs/dbraw/zinc/40/16/52/395401652.db2.gz RHJBLMBSIXVSFH-XQRVVYSFSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1cc(NCC[N@@H+]2CCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000443970980 395408495 /nfs/dbraw/zinc/40/84/95/395408495.db2.gz JLIRFINARJKIFF-UHFFFAOYSA-N 1 0 292.383 2.254 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230417 395507005 /nfs/dbraw/zinc/50/70/05/395507005.db2.gz QEUGUAHZNRDFNM-ZDTYVGOBSA-N 1 0 275.352 2.279 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCCO)n1 ZINC000448022974 395507775 /nfs/dbraw/zinc/50/77/75/395507775.db2.gz QVMDECXNRHWBPB-QWHCGFSZSA-N 1 0 296.371 2.027 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451262578 395600923 /nfs/dbraw/zinc/60/09/23/395600923.db2.gz XPNPQDQWIJXASX-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000572821497 395588689 /nfs/dbraw/zinc/58/86/89/395588689.db2.gz SZZBYYLDPDCSDB-BETUJISGSA-N 1 0 298.346 2.141 20 5 CEBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])COC1 ZINC000575002155 395643900 /nfs/dbraw/zinc/64/39/00/395643900.db2.gz YMGFWBSQEOPCNF-GFCCVEGCSA-N 1 0 262.309 2.208 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])s1 ZINC000192481426 153206562 /nfs/dbraw/zinc/20/65/62/153206562.db2.gz PELVRRRKWSMEAW-ZJUUUORDSA-N 1 0 282.369 2.114 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193600448 153236936 /nfs/dbraw/zinc/23/69/36/153236936.db2.gz FTJQNYZUVAEMHP-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000195527353 153291020 /nfs/dbraw/zinc/29/10/20/153291020.db2.gz ASRQPOJLDLLKGW-UHFFFAOYSA-N 1 0 295.339 2.272 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(CO)c1 ZINC000222116392 153313041 /nfs/dbraw/zinc/31/30/41/153313041.db2.gz YXGDWQMKUHPWIB-UHFFFAOYSA-N 1 0 272.304 2.377 20 5 CEBDRO Cc1c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873513 153337490 /nfs/dbraw/zinc/33/74/90/153337490.db2.gz KYMAFDRWULCWTF-SMDDNHRTSA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230162914 153386745 /nfs/dbraw/zinc/38/67/45/153386745.db2.gz IFRBDJUBTJLNQR-LLVKDONJSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)CCC1 ZINC000238133051 153483151 /nfs/dbraw/zinc/48/31/51/153483151.db2.gz IVFCUYKGBJVHEF-ZZXKWVIFSA-N 1 0 262.309 2.113 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261654148 153802093 /nfs/dbraw/zinc/80/20/93/153802093.db2.gz HQEFNSVQCNBWHS-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000367479341 156194301 /nfs/dbraw/zinc/19/43/01/156194301.db2.gz UYTNFZLTHBATLG-GFCCVEGCSA-N 1 0 278.356 2.303 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000368717427 156394784 /nfs/dbraw/zinc/39/47/84/156394784.db2.gz AZSFPYGCHYLYBJ-CYBMUJFWSA-N 1 0 291.351 2.029 20 5 CEBDRO Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000376106006 157185229 /nfs/dbraw/zinc/18/52/29/157185229.db2.gz DODFNDRKEIGCIZ-NEPJUHHUSA-N 1 0 276.340 2.216 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159160 298263346 /nfs/dbraw/zinc/26/33/46/298263346.db2.gz XTBVZENXUUPBCC-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176262823 165159430 /nfs/dbraw/zinc/15/94/30/165159430.db2.gz RIHDYLCUAQGXLZ-LBPRGKRZSA-N 1 0 286.335 2.238 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000284364388 196040191 /nfs/dbraw/zinc/04/01/91/196040191.db2.gz WXUBDDGOSJCSDX-SNVBAGLBSA-N 1 0 299.758 2.284 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000020208236 171072216 /nfs/dbraw/zinc/07/22/16/171072216.db2.gz OUDYDBYAOYHTHH-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCCC1 ZINC000026157681 171473587 /nfs/dbraw/zinc/47/35/87/171473587.db2.gz LCEFGWCPRQKFCW-UHFFFAOYSA-N 1 0 277.324 2.328 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035247563 172078679 /nfs/dbraw/zinc/07/86/79/172078679.db2.gz NMWPTKWMYLGNSW-GXFFZTMASA-N 1 0 280.324 2.261 20 5 CEBDRO CCOC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285399781 196272078 /nfs/dbraw/zinc/27/20/78/196272078.db2.gz TXILXLUGQMXRHO-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285423511 196280402 /nfs/dbraw/zinc/28/04/02/196280402.db2.gz QMEFHQKJMXDBOW-BETUJISGSA-N 1 0 250.298 2.204 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000285470070 196295109 /nfs/dbraw/zinc/29/51/09/196295109.db2.gz KLOCYKHIYLVFHP-DGCLKSJQSA-N 1 0 294.351 2.366 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600057 174350264 /nfs/dbraw/zinc/35/02/64/174350264.db2.gz WJMIHHBKRUSACL-GFCCVEGCSA-N 1 0 293.367 2.035 20 5 CEBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075242080 176677767 /nfs/dbraw/zinc/67/77/67/176677767.db2.gz MBSIDZMWTMEPLE-UHFFFAOYSA-N 1 0 293.367 2.447 20 5 CEBDRO CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359463 177257209 /nfs/dbraw/zinc/25/72/09/177257209.db2.gz IFYOFDFPPMSSGP-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449153296 260260118 /nfs/dbraw/zinc/26/01/18/260260118.db2.gz CTALGLGFDDKKDE-UHIISALHSA-N 1 0 298.408 2.228 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000250125814 270328406 /nfs/dbraw/zinc/32/84/06/270328406.db2.gz WFJMYKIVDPJDQM-YABQJVKDSA-N 1 0 276.336 2.311 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271513 270352198 /nfs/dbraw/zinc/35/21/98/270352198.db2.gz XKUZRQYWLGZADI-BZPMIXESSA-N 1 0 277.368 2.400 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397407308 270353938 /nfs/dbraw/zinc/35/39/38/270353938.db2.gz MIZLBQQXEVKPIJ-MDZLAQPJSA-N 1 0 291.351 2.040 20 5 CEBDRO CCC(=O)c1ccc(NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000420185164 270477994 /nfs/dbraw/zinc/47/79/94/270477994.db2.gz BMCBETQVUNYSAR-SNVBAGLBSA-N 1 0 279.340 2.455 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000420628123 270545837 /nfs/dbraw/zinc/54/58/37/270545837.db2.gz APDLLNQKOBLWJG-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO CC(C)c1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000422797678 270773386 /nfs/dbraw/zinc/77/33/86/270773386.db2.gz NZGUVJPDMHUUHC-UHFFFAOYSA-N 1 0 279.340 2.185 20 5 CEBDRO CCc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424044858 271004677 /nfs/dbraw/zinc/00/46/77/271004677.db2.gz FZMGKRVOVXLQBD-UHFFFAOYSA-N 1 0 279.340 2.014 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000424045557 271005057 /nfs/dbraw/zinc/00/50/57/271005057.db2.gz ICZUWNAYOOBHBF-UHFFFAOYSA-N 1 0 291.307 2.198 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000424318136 271044163 /nfs/dbraw/zinc/04/41/63/271044163.db2.gz CNYNNQKREPBTLA-HZSPNIEDSA-N 1 0 276.336 2.430 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1O ZINC000424336728 271048360 /nfs/dbraw/zinc/04/83/60/271048360.db2.gz YMCLMBHFNAKVDD-YYWXWVFPSA-N 1 0 290.363 2.419 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000430213513 271362805 /nfs/dbraw/zinc/36/28/05/271362805.db2.gz UDBJDEFYGJSFOB-CQSZACIVSA-N 1 0 293.367 2.129 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000430233228 271365541 /nfs/dbraw/zinc/36/55/41/271365541.db2.gz KNDCRBRFOXETBK-NSHDSACASA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000430245575 271366586 /nfs/dbraw/zinc/36/65/86/271366586.db2.gz UBCIVNIUPXUNJD-GHMZBOCLSA-N 1 0 294.351 2.337 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573167 271391676 /nfs/dbraw/zinc/39/16/76/271391676.db2.gz QADHWBARZKCGQX-MNOVXSKESA-N 1 0 281.331 2.293 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C[NH3+])C(C)C ZINC000430593402 271396175 /nfs/dbraw/zinc/39/61/75/271396175.db2.gz IZZAAYOOWRMEAN-AWEZNQCLSA-N 1 0 281.356 2.066 20 5 CEBDRO CCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000430923630 271413226 /nfs/dbraw/zinc/41/32/26/271413226.db2.gz FKHIVCXBIUZJNB-AWEZNQCLSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266121866 273614176 /nfs/dbraw/zinc/61/41/76/273614176.db2.gz ACXUMYAOMDFJBO-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344182597 273641698 /nfs/dbraw/zinc/64/16/98/273641698.db2.gz ULNRLDILTRDPLT-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966353 274380100 /nfs/dbraw/zinc/38/01/00/274380100.db2.gz FDIYVDFUQPGBEE-BXKDBHETSA-N 1 0 295.295 2.018 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266245670 274796754 /nfs/dbraw/zinc/79/67/54/274796754.db2.gz MALVNKPTDRUUPV-CYBMUJFWSA-N 1 0 273.336 2.354 20 5 CEBDRO CCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054110174 276305791 /nfs/dbraw/zinc/30/57/91/276305791.db2.gz WAHUICYATFGULX-NSHDSACASA-N 1 0 251.330 2.197 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ccc(N)cc1[N+](=O)[O-])CC2 ZINC000367844458 277042589 /nfs/dbraw/zinc/04/25/89/277042589.db2.gz VRFKLBJFLNNIOY-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049096451 277081123 /nfs/dbraw/zinc/08/11/23/277081123.db2.gz ZQWHVPRXIQKNGH-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465723 277158021 /nfs/dbraw/zinc/15/80/21/277158021.db2.gz HPEKJRQACPKYBS-ZWNOBZJWSA-N 1 0 294.330 2.049 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375041427 277177167 /nfs/dbraw/zinc/17/71/67/277177167.db2.gz QGLJWXQABUBUPI-GOEBONIOSA-N 1 0 289.379 2.163 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000353031824 277314894 /nfs/dbraw/zinc/31/48/94/277314894.db2.gz FNBARIZBXUPAGC-UHFFFAOYSA-N 1 0 278.308 2.170 20 5 CEBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000178695185 277598087 /nfs/dbraw/zinc/59/80/87/277598087.db2.gz XEWUSGZNAHNDBW-SNVBAGLBSA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086469349 277904149 /nfs/dbraw/zinc/90/41/49/277904149.db2.gz WMBGNSUHLJCDGQ-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000354091644 278366600 /nfs/dbraw/zinc/36/66/00/278366600.db2.gz LYKPBRLWQCUALQ-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261571415 278553792 /nfs/dbraw/zinc/55/37/92/278553792.db2.gz RAEULYHGLMWEME-YPMHNXCESA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054374710 278838231 /nfs/dbraw/zinc/83/82/31/278838231.db2.gz GZOJMLRZJIVKHJ-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156800423 279282273 /nfs/dbraw/zinc/28/22/73/279282273.db2.gz RJLUHDSYDJBSFL-GZMMTYOYSA-N 1 0 297.380 2.164 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000077420995 279681140 /nfs/dbraw/zinc/68/11/40/279681140.db2.gz PVUWDFWOMUMULR-RKDXNWHRSA-N 1 0 272.732 2.355 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1OCCC1CC[NH2+]CC1 ZINC000134494558 280023851 /nfs/dbraw/zinc/02/38/51/280023851.db2.gz RLRAHTZBJCGJBD-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422567941 280922444 /nfs/dbraw/zinc/92/24/44/280922444.db2.gz AMPLHDILPUIICV-UHFFFAOYSA-N 1 0 294.355 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286208630 281022829 /nfs/dbraw/zinc/02/28/29/281022829.db2.gz OHRDJSRTDKHBMB-UHIISALHSA-N 1 0 291.351 2.017 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423604526 281069045 /nfs/dbraw/zinc/06/90/45/281069045.db2.gz GHAZSPBRAWSPQK-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423621918 281071511 /nfs/dbraw/zinc/07/15/11/281071511.db2.gz LLJNXWQFXPMMDW-VXGBXAGGSA-N 1 0 291.351 2.082 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426454916 281194453 /nfs/dbraw/zinc/19/44/53/281194453.db2.gz AXRIKRWFKUIDMA-GXFFZTMASA-N 1 0 289.335 2.068 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000362732877 281258500 /nfs/dbraw/zinc/25/85/00/281258500.db2.gz IDNHIMUKGSOSMH-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446844216 281786811 /nfs/dbraw/zinc/78/68/11/281786811.db2.gz FWXWWRXARISTQG-UHFFFAOYSA-N 1 0 292.339 2.233 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(CC[NH+]1CCCCC1)C2 ZINC000153029855 289104244 /nfs/dbraw/zinc/10/42/44/289104244.db2.gz ACBUKICGSOEYQR-UHFFFAOYSA-N 1 0 289.379 2.439 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156421625 289195134 /nfs/dbraw/zinc/19/51/34/289195134.db2.gz PQGCNCSMXNIRKI-SNVBAGLBSA-N 1 0 267.304 2.488 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000158253776 289231075 /nfs/dbraw/zinc/23/10/75/289231075.db2.gz MZBLVEYWPKEVLY-STQMWFEESA-N 1 0 293.367 2.046 20 5 CEBDRO COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459619791 290196672 /nfs/dbraw/zinc/19/66/72/290196672.db2.gz HEOHHJXKFFGEJZ-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000459642309 290203937 /nfs/dbraw/zinc/20/39/37/290203937.db2.gz GVWFKVUQUKUIMS-AOOOYVTPSA-N 1 0 256.327 2.313 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643478 297647855 /nfs/dbraw/zinc/64/78/55/297647855.db2.gz FYDQUSOHHHPVAR-GWCFXTLKSA-N 1 0 296.392 2.286 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530749257 298083631 /nfs/dbraw/zinc/08/36/31/298083631.db2.gz WWDGYYVKQRXHRC-DGCLKSJQSA-N 1 0 291.351 2.032 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccco2)cs1 ZINC000538420008 298228184 /nfs/dbraw/zinc/22/81/84/298228184.db2.gz FIDBUSIGIFFYAG-JTQLQIEISA-N 1 0 296.348 2.190 20 5 CEBDRO COCC1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538549539 298230467 /nfs/dbraw/zinc/23/04/67/298230467.db2.gz GEBYELZGLJWNAL-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000543417824 298307937 /nfs/dbraw/zinc/30/79/37/298307937.db2.gz DFKQADIMVDRSEQ-FDMGOTLNSA-N 1 0 284.381 2.321 20 5 CEBDRO O=C(CC[NH2+]C1(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000543452565 298309267 /nfs/dbraw/zinc/30/92/67/298309267.db2.gz HVWPTLWSWDGRAI-UHFFFAOYSA-N 1 0 289.335 2.456 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097772 298393920 /nfs/dbraw/zinc/39/39/20/298393920.db2.gz VGKCYBZHYBPRNL-GHMZBOCLSA-N 1 0 250.298 2.456 20 5 CEBDRO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078093 298536780 /nfs/dbraw/zinc/53/67/80/298536780.db2.gz PNDRLTKRFNJYKQ-NEPJUHHUSA-N 1 0 296.371 2.026 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563419147 298775693 /nfs/dbraw/zinc/77/56/93/298775693.db2.gz STRQEHZWGYAEFE-DUFXMDAXSA-N 1 0 262.309 2.085 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000565048207 298873302 /nfs/dbraw/zinc/87/33/02/298873302.db2.gz KCVUNTDHOHWPQY-WFASDCNBSA-N 1 0 296.367 2.360 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000566305292 298965434 /nfs/dbraw/zinc/96/54/34/298965434.db2.gz WMCOEHJJLGVNLO-SMDDNHRTSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000563638698 313746595 /nfs/dbraw/zinc/74/65/95/313746595.db2.gz SCDXNFCYGKKELG-GWCFXTLKSA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569823576 314016620 /nfs/dbraw/zinc/01/66/20/314016620.db2.gz FMWRVGFCOMAYEP-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570799626 314058655 /nfs/dbraw/zinc/05/86/55/314058655.db2.gz YQLUVVKGFOTOPB-AXFHLTTASA-N 1 0 294.355 2.081 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)CCCC1 ZINC000571296786 314083894 /nfs/dbraw/zinc/08/38/94/314083894.db2.gz AZEUJMQITKNYTE-ZDUSSCGKSA-N 1 0 276.336 2.477 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000572037829 314117927 /nfs/dbraw/zinc/11/79/27/314117927.db2.gz LWXRKGJFDXENBL-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000576115819 314244067 /nfs/dbraw/zinc/24/40/67/314244067.db2.gz GPBVDWHWVAUNKK-AWEZNQCLSA-N 1 0 296.367 2.121 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577209353 314352792 /nfs/dbraw/zinc/35/27/92/314352792.db2.gz KBBLOUKPBBIHRP-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000379492321 321825854 /nfs/dbraw/zinc/82/58/54/321825854.db2.gz IVURIFRIBQVBFC-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573530 321842354 /nfs/dbraw/zinc/84/23/54/321842354.db2.gz SZWLDYVCJYJXPP-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1c(C[N@@H+]2CCCO[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411851787 533842179 /nfs/dbraw/zinc/84/21/79/533842179.db2.gz HDMKOJFWDBETSQ-ZDUSSCGKSA-N 1 0 282.315 2.464 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415292659 534321934 /nfs/dbraw/zinc/32/19/34/534321934.db2.gz HQEITWJYZJQMAR-SNVBAGLBSA-N 1 0 292.339 2.037 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049558083 519776348 /nfs/dbraw/zinc/77/63/48/519776348.db2.gz PBKSENRKMBEEMX-NSHDSACASA-N 1 0 266.345 2.378 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C(C)(C)C ZINC000289575921 522957420 /nfs/dbraw/zinc/95/74/20/522957420.db2.gz YTZMJGWJEJJCDE-AWEZNQCLSA-N 1 0 280.368 2.476 20 5 CEBDRO CO[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676408 523598348 /nfs/dbraw/zinc/59/83/48/523598348.db2.gz PFDZMZSUFBRARI-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160354846 525698386 /nfs/dbraw/zinc/69/83/86/525698386.db2.gz BTHIGCUNEXGWRO-JQWIXIFHSA-N 1 0 284.381 2.359 20 5 CEBDRO CC(C)([NH3+])CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000096470171 527260219 /nfs/dbraw/zinc/26/02/19/527260219.db2.gz PPSHLIAOOMAJPV-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000148506510 527335223 /nfs/dbraw/zinc/33/52/23/527335223.db2.gz KBHHSWZBNHJEDQ-VIFPVBQESA-N 1 0 282.731 2.292 20 5 CEBDRO CC(C)[C@]1(CO)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000367991957 527993444 /nfs/dbraw/zinc/99/34/44/527993444.db2.gz FLZCDYAQFSJXQH-MRXNPFEDSA-N 1 0 292.379 2.478 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000412037938 528612581 /nfs/dbraw/zinc/61/25/81/528612581.db2.gz OLYJPJCPIGJVPZ-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328826 574664381 /nfs/dbraw/zinc/66/43/81/574664381.db2.gz DRMHIZLRCZUUHR-JTQLQIEISA-N 1 0 278.230 2.262 20 5 CEBDRO CN1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145639 574976905 /nfs/dbraw/zinc/97/69/05/574976905.db2.gz YSYVRAWGKZULRM-ZDUSSCGKSA-N 1 0 278.308 2.122 20 5 CEBDRO CN1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145638 574976956 /nfs/dbraw/zinc/97/69/56/574976956.db2.gz YSYVRAWGKZULRM-CYBMUJFWSA-N 1 0 278.308 2.122 20 5 CEBDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000746046587 575147334 /nfs/dbraw/zinc/14/73/34/575147334.db2.gz AOHXVCFAODALBF-LLVKDONJSA-N 1 0 293.323 2.088 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952582 575241271 /nfs/dbraw/zinc/24/12/71/575241271.db2.gz VULHOVQRLIMZCY-NSHDSACASA-N 1 0 289.339 2.480 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000751950061 575302472 /nfs/dbraw/zinc/30/24/72/575302472.db2.gz ODJKDLAUKJEBQQ-CYBMUJFWSA-N 1 0 290.323 2.013 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCCOC(C)C)c1[N+](=O)[O-] ZINC000892439364 625441625 /nfs/dbraw/zinc/44/16/25/625441625.db2.gz FXIAEWNSCZBSRK-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050104916 623298488 /nfs/dbraw/zinc/29/84/88/623298488.db2.gz JNLKPOLXQBHLSN-CYBMUJFWSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1C ZINC000090795134 623629224 /nfs/dbraw/zinc/62/92/24/623629224.db2.gz PAWLCEHRPAUKOD-RKDXNWHRSA-N 1 0 291.311 2.026 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000308678855 623710042 /nfs/dbraw/zinc/71/00/42/623710042.db2.gz UVRRPOVDMRVYNR-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000308659564 623937294 /nfs/dbraw/zinc/93/72/94/623937294.db2.gz SHOCXCQLPGIDKL-UHFFFAOYSA-N 1 0 282.300 2.255 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000308680313 624029293 /nfs/dbraw/zinc/02/92/93/624029293.db2.gz WJOSKLVSMZKTPN-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000891906059 624087242 /nfs/dbraw/zinc/08/72/42/624087242.db2.gz CQXZJLBYXRESAZ-UHFFFAOYSA-N 1 0 281.360 2.003 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000934125627 624247514 /nfs/dbraw/zinc/24/75/14/624247514.db2.gz SAEQUIUWEWKMIL-ZIAGYGMSSA-N 1 0 280.324 2.083 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC000892058694 624284942 /nfs/dbraw/zinc/28/49/42/624284942.db2.gz CYBQUNPKTWGXSB-UHFFFAOYSA-N 1 0 266.297 2.293 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000050015511 624593563 /nfs/dbraw/zinc/59/35/63/624593563.db2.gz ORGMIAXLZZIHLH-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000744351625 627303337 /nfs/dbraw/zinc/30/33/37/627303337.db2.gz VWMMGWZTLZDQTE-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CCn1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000902276364 634565814 /nfs/dbraw/zinc/56/58/14/634565814.db2.gz APPRRMFUWWVYQF-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO Cc1ccc(CC[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000893133867 628028928 /nfs/dbraw/zinc/02/89/28/628028928.db2.gz GONBTWDTRRVSDM-UHFFFAOYSA-N 1 0 288.351 2.240 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000035697355 628195716 /nfs/dbraw/zinc/19/57/16/628195716.db2.gz DJCONZUSRNMWMT-NSHDSACASA-N 1 0 274.280 2.459 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000312590545 628313040 /nfs/dbraw/zinc/31/30/40/628313040.db2.gz PTUVOPCLLRQXDB-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000893327650 628330889 /nfs/dbraw/zinc/33/08/89/628330889.db2.gz DENIGJIBHMTSRD-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643569 628340721 /nfs/dbraw/zinc/34/07/21/628340721.db2.gz WYNNVGUFFAHGPO-VXGBXAGGSA-N 1 0 278.352 2.398 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000931046609 628345318 /nfs/dbraw/zinc/34/53/18/628345318.db2.gz JSJYEBYWRHSZKB-GXSJLCMTSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1c(CNC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536577 628596260 /nfs/dbraw/zinc/59/62/60/628596260.db2.gz UXRPHQGBHBRDLK-CYBMUJFWSA-N 1 0 277.368 2.335 20 5 CEBDRO CCOC(=O)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932176520 628983457 /nfs/dbraw/zinc/98/34/57/628983457.db2.gz HCMYXOSJFYESQW-SCDSUCTJSA-N 1 0 292.335 2.445 20 5 CEBDRO [NH3+]CC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633626 629257417 /nfs/dbraw/zinc/25/74/17/629257417.db2.gz YPUJLYZHMRWHET-UHFFFAOYSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1ncoc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000894297975 629317336 /nfs/dbraw/zinc/31/73/36/629317336.db2.gz HMWFKLUDLMAOTH-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794967316 629377735 /nfs/dbraw/zinc/37/77/35/629377735.db2.gz BBQCZOOPVQSDMS-PQFRYHKHSA-N 1 0 290.319 2.007 20 5 CEBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794967318 629378705 /nfs/dbraw/zinc/37/87/05/629378705.db2.gz BBQCZOOPVQSDMS-WUWHUORYSA-N 1 0 290.319 2.007 20 5 CEBDRO Cc1cnc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796866 629645142 /nfs/dbraw/zinc/64/51/42/629645142.db2.gz GFPIYHXTGLNGAD-GASCZTMLSA-N 1 0 290.367 2.076 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000795746162 629664432 /nfs/dbraw/zinc/66/44/32/629664432.db2.gz GUMIWNGNDSXIIN-JTQLQIEISA-N 1 0 292.339 2.177 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894870840 629707971 /nfs/dbraw/zinc/70/79/71/629707971.db2.gz NVJPTBUGFUEPIF-GFCCVEGCSA-N 1 0 280.324 2.181 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CS[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894904660 629745651 /nfs/dbraw/zinc/74/56/51/629745651.db2.gz UZBQTLOKBATIRI-WCBMZHEXSA-N 1 0 298.364 2.293 20 5 CEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233107 629809694 /nfs/dbraw/zinc/80/96/94/629809694.db2.gz LDWXFWAMEDSSAH-MRVPVSSYSA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1ccnc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000895100398 629896992 /nfs/dbraw/zinc/89/69/92/629896992.db2.gz CERLQXXQSUGVHC-LBPRGKRZSA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000895100628 629897114 /nfs/dbraw/zinc/89/71/14/629897114.db2.gz CUNYGLHYYZJHHB-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000895192350 630022358 /nfs/dbraw/zinc/02/23/58/630022358.db2.gz FDMXLKSWXSXEMV-GXTWGEPZSA-N 1 0 261.325 2.268 20 5 CEBDRO CC1=NO[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895310465 630098620 /nfs/dbraw/zinc/09/86/20/630098620.db2.gz HVKRJPUVHIPZTA-AGLBCWCQSA-N 1 0 275.308 2.362 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000895324470 630111942 /nfs/dbraw/zinc/11/19/42/630111942.db2.gz HONNWTBXVNLFRZ-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895338230 630122064 /nfs/dbraw/zinc/12/20/64/630122064.db2.gz PNRCMPNRDLKXCA-SNVBAGLBSA-N 1 0 264.281 2.117 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895668605 630299197 /nfs/dbraw/zinc/29/91/97/630299197.db2.gz OVEBJPXZFZGHQY-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO [NH3+]CC[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(F)F ZINC000841074116 634821634 /nfs/dbraw/zinc/82/16/34/634821634.db2.gz LOOISQKRLIBGRM-VIFPVBQESA-N 1 0 293.701 2.320 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC1CC[NH2+]CC1 ZINC000206510492 631162738 /nfs/dbraw/zinc/16/27/38/631162738.db2.gz HMNDHGYNAZIPAM-UHFFFAOYSA-N 1 0 269.732 2.090 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000803492355 631572539 /nfs/dbraw/zinc/57/25/39/631572539.db2.gz CMRRSWNBOPAMTD-CYBMUJFWSA-N 1 0 298.314 2.363 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010497 631680407 /nfs/dbraw/zinc/68/04/07/631680407.db2.gz DMGVGYJLHSPBDN-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CC1 ZINC000804431307 631681396 /nfs/dbraw/zinc/68/13/96/631681396.db2.gz AQOSMIASVIZBBM-GFCCVEGCSA-N 1 0 294.311 2.255 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897823449 631932768 /nfs/dbraw/zinc/93/27/68/631932768.db2.gz YJDPNUAOPHWZGV-AGVCCWECSA-N 1 0 286.331 2.373 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898388611 632477851 /nfs/dbraw/zinc/47/78/51/632477851.db2.gz UWLKDXVQUPWQTI-QWHCGFSZSA-N 1 0 262.309 2.109 20 5 CEBDRO CC[C@H]1CN(C)CCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000814938824 632936170 /nfs/dbraw/zinc/93/61/70/632936170.db2.gz WDPFMLQXLWWVAE-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250475 634117821 /nfs/dbraw/zinc/11/78/21/634117821.db2.gz ZIDKKSPSMKVQRS-BZPMIXESSA-N 1 0 294.351 2.113 20 5 CEBDRO CC(C)(CCC(=O)NCC(C)(C)[NH+]1CCCCC1)[N+](=O)[O-] ZINC000822215683 634871378 /nfs/dbraw/zinc/87/13/78/634871378.db2.gz LXRDITFGUYPKOT-UHFFFAOYSA-N 1 0 299.415 2.203 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000822654609 634963857 /nfs/dbraw/zinc/96/38/57/634963857.db2.gz NXHDPYXUHPLBMM-BXUZGUMPSA-N 1 0 286.291 2.112 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903103588 634970984 /nfs/dbraw/zinc/97/09/84/634970984.db2.gz KKKABYFCVLPIBJ-MNOVXSKESA-N 1 0 282.340 2.273 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903114175 634978252 /nfs/dbraw/zinc/97/82/52/634978252.db2.gz VNIZCBXIQPWASV-ZWNOBZJWSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN1C ZINC000903325392 635056000 /nfs/dbraw/zinc/05/60/00/635056000.db2.gz YXLVXPWNNFQTAV-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000903391367 635087707 /nfs/dbraw/zinc/08/77/07/635087707.db2.gz YZJINWLTXCQHPB-UWVGGRQHSA-N 1 0 284.331 2.414 20 5 CEBDRO C[C@H]([NH2+]Cc1cnc(N)s1)c1ccc([N+](=O)[O-])cc1 ZINC000824462803 635432866 /nfs/dbraw/zinc/43/28/66/635432866.db2.gz PDUHKSHOIDEPDN-QMMMGPOBSA-N 1 0 278.337 2.484 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000905246681 636170850 /nfs/dbraw/zinc/17/08/50/636170850.db2.gz FLNKNEHCASHQCX-AAEUAGOBSA-N 1 0 252.289 2.328 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1cc2ccccc2s1 ZINC000905267365 636184987 /nfs/dbraw/zinc/18/49/87/636184987.db2.gz KJVPTEACXFHGBF-UHFFFAOYSA-N 1 0 250.323 2.310 20 5 CEBDRO CCOc1ccc(C[C@@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905280583 636206522 /nfs/dbraw/zinc/20/65/22/636206522.db2.gz OXWNMZQYTXHYJR-GFCCVEGCSA-N 1 0 266.341 2.130 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000905664950 636373525 /nfs/dbraw/zinc/37/35/25/636373525.db2.gz PQVJIUYKQMOZNQ-CZMCAQCFSA-N 1 0 256.252 2.077 20 5 CEBDRO C[C@@H](C[NH2+]C[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000905642695 636378677 /nfs/dbraw/zinc/37/86/77/636378677.db2.gz HWRXJDHZRCJBHT-ZANVPECISA-N 1 0 288.294 2.304 20 5 CEBDRO CSC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905645297 636380566 /nfs/dbraw/zinc/38/05/66/636380566.db2.gz WAMWJQIKICIURV-GHMZBOCLSA-N 1 0 284.381 2.012 20 5 CEBDRO COc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000907300425 636986409 /nfs/dbraw/zinc/98/64/09/636986409.db2.gz PJKUZIFFWPWQRN-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO CS[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889281 637191076 /nfs/dbraw/zinc/19/10/76/637191076.db2.gz NCNTUTMXKMBEBD-STQMWFEESA-N 1 0 282.365 2.066 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000876545600 650316568 /nfs/dbraw/zinc/31/65/68/650316568.db2.gz PESJRWHZCDIDBX-JQWIXIFHSA-N 1 0 277.324 2.215 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876617863 650361614 /nfs/dbraw/zinc/36/16/14/650361614.db2.gz WNGAEAOTGNEHAF-NSHDSACASA-N 1 0 294.351 2.453 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834900373 637981553 /nfs/dbraw/zinc/98/15/53/637981553.db2.gz OHCZZNHGTSFSKR-IFUGULHKSA-N 1 0 293.367 2.379 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000912255279 638617545 /nfs/dbraw/zinc/61/75/45/638617545.db2.gz GAAWFYXJKGVUHL-OAHLLOKOSA-N 1 0 293.367 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000876835076 650453641 /nfs/dbraw/zinc/45/36/41/650453641.db2.gz RRENKDHGVMOANT-ZYHUDNBSSA-N 1 0 291.351 2.082 20 5 CEBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC([NH3+])C1 ZINC000876862714 650463886 /nfs/dbraw/zinc/46/38/86/650463886.db2.gz TYTXJPJSBGEYBV-UHFFFAOYSA-N 1 0 299.330 2.310 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000227713184 639601794 /nfs/dbraw/zinc/60/17/94/639601794.db2.gz HLUFCZUTAVWRGY-SNVBAGLBSA-N 1 0 252.314 2.154 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841028284 639621392 /nfs/dbraw/zinc/62/13/92/639621392.db2.gz NWRURDCKSVLHNN-LLVKDONJSA-N 1 0 269.732 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841043609 639631091 /nfs/dbraw/zinc/63/10/91/639631091.db2.gz UKSFSFQAJPFOCX-NSHDSACASA-N 1 0 269.732 2.090 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000228357035 639631919 /nfs/dbraw/zinc/63/19/19/639631919.db2.gz XITMOKGCBRGTPQ-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064130 639639793 /nfs/dbraw/zinc/63/97/93/639639793.db2.gz YXVVRUGMVGHCHM-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[NH2+][C@H](C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064879 639641484 /nfs/dbraw/zinc/64/14/84/639641484.db2.gz DHGWFVPYRYHTKF-SECBINFHSA-N 1 0 271.748 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCCC[NH2+]C2)c1 ZINC000841089360 639653553 /nfs/dbraw/zinc/65/35/53/639653553.db2.gz GMAZKBJCGWQSGZ-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000063169024 639837768 /nfs/dbraw/zinc/83/77/68/639837768.db2.gz FFQSGRVCLVRTEV-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO CSCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877054407 650550974 /nfs/dbraw/zinc/55/09/74/650550974.db2.gz DTABDAYRZSAIRY-WHXUTIOJSA-N 1 0 284.385 2.226 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000843117492 640287416 /nfs/dbraw/zinc/28/74/16/640287416.db2.gz ZAESLMDTJWEDOU-RRFJBIMHSA-N 1 0 296.367 2.013 20 5 CEBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843170038 640323000 /nfs/dbraw/zinc/32/30/00/640323000.db2.gz ZFJXUCXKPAFEMD-MRVPVSSYSA-N 1 0 291.311 2.288 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[NH2+]CC2CC2)n1 ZINC000843187400 640338524 /nfs/dbraw/zinc/33/85/24/640338524.db2.gz PAXYYSHVWCTPPE-UHFFFAOYSA-N 1 0 288.307 2.453 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000843188109 640339818 /nfs/dbraw/zinc/33/98/18/640339818.db2.gz YMBFDKCJBWDADQ-JTQLQIEISA-N 1 0 288.307 2.248 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000843188121 640339992 /nfs/dbraw/zinc/33/99/92/640339992.db2.gz YSTAAHYRLICUIG-CYBMUJFWSA-N 1 0 292.270 2.111 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH2+]CC3)n2)s1 ZINC000843219040 640351074 /nfs/dbraw/zinc/35/10/74/640351074.db2.gz QUUKUSLXHCMQCV-UHFFFAOYSA-N 1 0 280.309 2.173 20 5 CEBDRO Cc1cc(-c2noc([C@]3(F)CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239537 640365760 /nfs/dbraw/zinc/36/57/60/640365760.db2.gz MXQPWWDFOUJIJP-ZDUSSCGKSA-N 1 0 292.270 2.111 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000914432805 640403765 /nfs/dbraw/zinc/40/37/65/640403765.db2.gz FEKOTSJZKZTNLZ-CHWSQXEVSA-N 1 0 292.335 2.118 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(F)c1 ZINC000914435323 640406985 /nfs/dbraw/zinc/40/69/85/640406985.db2.gz BILDKGQHAYXOIG-JSGCOSHPSA-N 1 0 280.299 2.249 20 5 CEBDRO Cc1c(-c2noc(CC(F)(F)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000844920676 640866524 /nfs/dbraw/zinc/86/65/24/640866524.db2.gz UFTLHEIMHXRQBK-UHFFFAOYSA-N 1 0 298.249 2.090 20 5 CEBDRO [NH3+]CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000877205642 650627346 /nfs/dbraw/zinc/62/73/46/650627346.db2.gz PEULGONJORLJRP-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000919677749 641066337 /nfs/dbraw/zinc/06/63/37/641066337.db2.gz HTOBHHHGAURWOQ-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO CCC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000233046851 641301242 /nfs/dbraw/zinc/30/12/42/641301242.db2.gz RKEDTFUBVCYDAE-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000069715823 641586847 /nfs/dbraw/zinc/58/68/47/641586847.db2.gz IJZCANFXKSZKAC-UHFFFAOYSA-N 1 0 291.351 2.087 20 5 CEBDRO COCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000848561298 642054613 /nfs/dbraw/zinc/05/46/13/642054613.db2.gz UXMIVNVTNNRUPO-JTQLQIEISA-N 1 0 279.340 2.254 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877474329 650738492 /nfs/dbraw/zinc/73/84/92/650738492.db2.gz SYPQGQKYKIQESV-WCQYABFASA-N 1 0 292.335 2.335 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850312717 642664617 /nfs/dbraw/zinc/66/46/17/642664617.db2.gz ZDLGKADRVAYREL-TXFQPVFDSA-N 1 0 292.335 2.443 20 5 CEBDRO CC[C@@H](C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OC ZINC000877559369 650788253 /nfs/dbraw/zinc/78/82/53/650788253.db2.gz WAARZZGPSDMOFS-MLCFOIATSA-N 1 0 296.371 2.146 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)c1 ZINC000877585366 650801630 /nfs/dbraw/zinc/80/16/30/650801630.db2.gz FQCQCKRIYHWJHE-ITJDXZLMSA-N 1 0 276.340 2.273 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000922557328 643127932 /nfs/dbraw/zinc/12/79/32/643127932.db2.gz OCEPQKFPVAWBGB-SMDDNHRTSA-N 1 0 293.367 2.176 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CSC1 ZINC000877635285 650826620 /nfs/dbraw/zinc/82/66/20/650826620.db2.gz LKKUOAYJTDWAHX-UHFFFAOYSA-N 1 0 268.338 2.199 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CSC1 ZINC000877635236 650827044 /nfs/dbraw/zinc/82/70/44/650827044.db2.gz JVZCRKWUFFMKAR-HYXAFXHYSA-N 1 0 250.323 2.313 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535037 643462852 /nfs/dbraw/zinc/46/28/52/643462852.db2.gz UEFBQAQOWIDYFJ-FZMZJTMJSA-N 1 0 280.299 2.202 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852787969 643551524 /nfs/dbraw/zinc/55/15/24/643551524.db2.gz ZCHHPTFYQXIEOG-LBPRGKRZSA-N 1 0 299.758 2.205 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000853231383 643716750 /nfs/dbraw/zinc/71/67/50/643716750.db2.gz HOSYLJQGWKKJPT-LLVKDONJSA-N 1 0 289.335 2.446 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000853748497 643887267 /nfs/dbraw/zinc/88/72/67/643887267.db2.gz ODVNYKBFAHKBGN-LLVKDONJSA-N 1 0 278.356 2.462 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000877742627 650887927 /nfs/dbraw/zinc/88/79/27/650887927.db2.gz FSCQYSVPKAFWNU-KGLIPLIRSA-N 1 0 275.352 2.121 20 5 CEBDRO Cn1cc(CN2CC[C@@](C)(C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000877810840 650917357 /nfs/dbraw/zinc/91/73/57/650917357.db2.gz PGFXKXMOUFPYOT-SNVBAGLBSA-N 1 0 292.261 2.103 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000757702999 644837450 /nfs/dbraw/zinc/83/74/50/644837450.db2.gz FUNAAGXTZLPXHR-IUODEOHRSA-N 1 0 289.379 2.476 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC000859627189 645544646 /nfs/dbraw/zinc/54/46/46/645544646.db2.gz JQBFIVXUBLWVCV-AWEZNQCLSA-N 1 0 262.309 2.255 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859645496 645553119 /nfs/dbraw/zinc/55/31/19/645553119.db2.gz DJVMPYPTALZEQM-OIBJUYFYSA-N 1 0 298.730 2.120 20 5 CEBDRO Cc1nn(CN2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122402 645851155 /nfs/dbraw/zinc/85/11/55/645851155.db2.gz XCHCPRWSGJTDJI-VIFPVBQESA-N 1 0 292.261 2.332 20 5 CEBDRO CS[C@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000767292947 645974353 /nfs/dbraw/zinc/97/43/53/645974353.db2.gz WDLPLWCTNXVRIA-KBPBESRZSA-N 1 0 295.408 2.385 20 5 CEBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000862486908 646476332 /nfs/dbraw/zinc/47/63/32/646476332.db2.gz JNDMJTBXXAREJU-CYBMUJFWSA-N 1 0 290.319 2.336 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000772187751 646603668 /nfs/dbraw/zinc/60/36/68/646603668.db2.gz VJMNHJQBHNEXHN-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863646276 646776361 /nfs/dbraw/zinc/77/63/61/646776361.db2.gz ILKDXTVLMQTVQT-NWDGAFQWSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1c(-c2noc(C3=CC[C@@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000863678418 646789580 /nfs/dbraw/zinc/78/95/80/646789580.db2.gz USLFYBQQWLJGDL-SNVBAGLBSA-N 1 0 286.291 2.458 20 5 CEBDRO CN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774162360 646812136 /nfs/dbraw/zinc/81/21/36/646812136.db2.gz HTVCOIZAVBTURI-WFASDCNBSA-N 1 0 275.352 2.266 20 5 CEBDRO CO[C@@H](C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776585729 647075548 /nfs/dbraw/zinc/07/55/48/647075548.db2.gz ZULKAKBTMDYREB-SWLSCSKDSA-N 1 0 296.367 2.374 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000776600657 647077967 /nfs/dbraw/zinc/07/79/67/647077967.db2.gz CSQPGXNHKMBWNZ-JQWIXIFHSA-N 1 0 286.278 2.215 20 5 CEBDRO COc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204808 647668065 /nfs/dbraw/zinc/66/80/65/647668065.db2.gz GGXUGSWIJXIDMA-WCQYABFASA-N 1 0 291.351 2.134 20 5 CEBDRO COc1cccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206149 647669399 /nfs/dbraw/zinc/66/93/99/647669399.db2.gz BSGYRDQHIVNUPD-NWDGAFQWSA-N 1 0 291.351 2.134 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207081 647671142 /nfs/dbraw/zinc/67/11/42/647671142.db2.gz OCSHJPAFUVPVQB-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000866213974 647675324 /nfs/dbraw/zinc/67/53/24/647675324.db2.gz FIYJRGTWVVQYDC-GWCFXTLKSA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000866242654 647690472 /nfs/dbraw/zinc/69/04/72/647690472.db2.gz OFSUAFZIMLBKJV-WDEREUQCSA-N 1 0 282.315 2.291 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000866286994 647716986 /nfs/dbraw/zinc/71/69/86/647716986.db2.gz GUHPCRTUDVQOAC-UHIISALHSA-N 1 0 294.326 2.192 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)CC1CC1 ZINC000866309039 647729729 /nfs/dbraw/zinc/72/97/29/647729729.db2.gz BEJKVDLGLJLBGV-HZMBPMFUSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788692813 648216283 /nfs/dbraw/zinc/21/62/83/648216283.db2.gz QWHAFYFBXSZBPT-PWSUYJOCSA-N 1 0 279.340 2.397 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000792089055 648607177 /nfs/dbraw/zinc/60/71/77/648607177.db2.gz RILBIRZZVNDVLM-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870863817 648936430 /nfs/dbraw/zinc/93/64/30/648936430.db2.gz CPNDEVUAPQEPTQ-BJHJDKERSA-N 1 0 291.351 2.071 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870962041 648963227 /nfs/dbraw/zinc/96/32/27/648963227.db2.gz KPSPGKCTFRVMKO-AWEZNQCLSA-N 1 0 279.340 2.037 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000872089215 649269768 /nfs/dbraw/zinc/26/97/68/649269768.db2.gz VFHCADLSHVXROP-FXPVBKGRSA-N 1 0 282.365 2.491 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000872232027 649323219 /nfs/dbraw/zinc/32/32/19/649323219.db2.gz XLURNSLXTWXPCN-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1 ZINC000872779012 649485915 /nfs/dbraw/zinc/48/59/15/649485915.db2.gz CIGTYHKUXXKHJE-KGLIPLIRSA-N 1 0 261.325 2.268 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781542 649488044 /nfs/dbraw/zinc/48/80/44/649488044.db2.gz VDQZGLOSDFGAGZ-VHSXEESVSA-N 1 0 267.354 2.329 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C)C1 ZINC000873043628 649541665 /nfs/dbraw/zinc/54/16/65/649541665.db2.gz PPHVXMBIXSMMJM-GFCCVEGCSA-N 1 0 263.341 2.005 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000873102439 649559292 /nfs/dbraw/zinc/55/92/92/649559292.db2.gz PNXWXUAEFPXPJC-GHMZBOCLSA-N 1 0 266.341 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C1CCC1 ZINC000873130145 649564989 /nfs/dbraw/zinc/56/49/89/649564989.db2.gz ZGGHJOZMOUQAOL-HNNXBMFYSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000873131477 649565649 /nfs/dbraw/zinc/56/56/49/649565649.db2.gz RWXGLHZXWKEOSQ-TZMCWYRMSA-N 1 0 264.325 2.215 20 5 CEBDRO COCC[N@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124774084 649737809 /nfs/dbraw/zinc/73/78/09/649737809.db2.gz RPCAJIFVENKKHQ-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO C[NH2+]CCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124885900 649755141 /nfs/dbraw/zinc/75/51/41/649755141.db2.gz MNWSQZJWIGUXIG-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000874389972 649768215 /nfs/dbraw/zinc/76/82/15/649768215.db2.gz VHZZZLNOFPQXAH-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879618558 651330790 /nfs/dbraw/zinc/33/07/90/651330790.db2.gz XNYJIPYZLNSSNT-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624189 651332132 /nfs/dbraw/zinc/33/21/32/651332132.db2.gz OIGROWFBCOMUEV-ZDUSSCGKSA-N 1 0 294.351 2.196 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000879706501 651341916 /nfs/dbraw/zinc/34/19/16/651341916.db2.gz PLNQKUGWHYSBOS-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO CCC1(CC)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880093884 651383498 /nfs/dbraw/zinc/38/34/98/651383498.db2.gz NTMJMSYXZYKZCU-UHFFFAOYSA-N 1 0 266.345 2.483 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CF)C2)c2c(c1)COCO2 ZINC000880292028 651415908 /nfs/dbraw/zinc/41/59/08/651415908.db2.gz LYKZFGCRGNJHHY-JTQLQIEISA-N 1 0 296.298 2.253 20 5 CEBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429187 651439282 /nfs/dbraw/zinc/43/92/82/651439282.db2.gz UYVLEZYCBCIDRN-CABCVRRESA-N 1 0 294.351 2.139 20 5 CEBDRO CC1CC[NH+](CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808679 651889650 /nfs/dbraw/zinc/88/96/50/651889650.db2.gz YNYHQJRCPBPRQA-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881838367 651898142 /nfs/dbraw/zinc/89/81/42/651898142.db2.gz TWASGQWDGJGNIJ-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882263212 652014129 /nfs/dbraw/zinc/01/41/29/652014129.db2.gz BEBUMTYNZIODFW-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000882962136 652292199 /nfs/dbraw/zinc/29/21/99/652292199.db2.gz INAGCBJQQFHHOC-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507645 652432304 /nfs/dbraw/zinc/43/23/04/652432304.db2.gz LZGLTKXTMXIMDH-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441356 652471310 /nfs/dbraw/zinc/47/13/10/652471310.db2.gz MFFVGHKPHAYZTL-OLZOCXBDSA-N 1 0 263.341 2.119 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000800182249 652677067 /nfs/dbraw/zinc/67/70/67/652677067.db2.gz WLIYIIDHDJGJMJ-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000884081253 652699613 /nfs/dbraw/zinc/69/96/13/652699613.db2.gz UEPFLHNQODUYDT-ZDUSSCGKSA-N 1 0 293.367 2.187 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]([NH3+])C(C)C)c1C ZINC000884415826 652842326 /nfs/dbraw/zinc/84/23/26/652842326.db2.gz JCQOTHMRCQVUME-GFCCVEGCSA-N 1 0 293.367 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCSCC2)cc1 ZINC000134485876 652847232 /nfs/dbraw/zinc/84/72/32/652847232.db2.gz LYUMQJDSZMAHGY-CYBMUJFWSA-N 1 0 282.365 2.113 20 5 CEBDRO Cc1cc(C(=O)N(C)C2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135243375 652963004 /nfs/dbraw/zinc/96/30/04/652963004.db2.gz WVFDHXOEQRJFEY-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000216143753 652967810 /nfs/dbraw/zinc/96/78/10/652967810.db2.gz JIMVPMKKUZADCQ-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000135534957 652972148 /nfs/dbraw/zinc/97/21/48/652972148.db2.gz AGJIJZNYVFZMBG-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001165039585 721889518 /nfs/dbraw/zinc/88/95/18/721889518.db2.gz OFBXJOQHJCTVON-JTQLQIEISA-N 1 0 284.747 2.174 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762888 805725433 /nfs/dbraw/zinc/72/54/33/805725433.db2.gz DVHFKHXVVXXMJQ-CYBMUJFWSA-N 1 0 250.298 2.458 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227987879 806102342 /nfs/dbraw/zinc/10/23/42/806102342.db2.gz LEVSMTLEWQWLDB-SNVBAGLBSA-N 1 0 253.302 2.099 20 5 CEBDRO CC/C(C)=C/C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126752261 806516573 /nfs/dbraw/zinc/51/65/73/806516573.db2.gz OEYFPYAZIANLAI-ZRDIBKRKSA-N 1 0 291.351 2.157 20 5 CEBDRO COC(=O)CCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224501025 806783615 /nfs/dbraw/zinc/78/36/15/806783615.db2.gz ZOJJQXLYLTZCOU-ZDUSSCGKSA-N 1 0 260.398 2.221 20 5 CEBDRO CCCCOC[C@H](C)OC[C@H](C)OCC[N+](C)(C)C ZINC001224772831 806948655 /nfs/dbraw/zinc/94/86/55/806948655.db2.gz BVVRROQTEMMBDC-GJZGRUSLSA-N 1 0 276.441 2.320 20 5 CEBDRO C[N+](C)(C)CCOC[C@H]1CCC(c2ccccc2)=NO1 ZINC001224773528 806950453 /nfs/dbraw/zinc/95/04/53/806950453.db2.gz JDVAOJVDBAYIEA-OAHLLOKOSA-N 1 0 277.388 2.293 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001167270043 802619997 /nfs/dbraw/zinc/61/99/97/802619997.db2.gz LBCSRJMMTYPTTQ-QMMMGPOBSA-N 1 0 297.746 2.032 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cccc1C[NH3+] ZINC001167593695 803174472 /nfs/dbraw/zinc/17/44/72/803174472.db2.gz ZTFJUIWSOYAGSM-UHFFFAOYSA-N 1 0 261.281 2.161 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000712593932 814754375 /nfs/dbraw/zinc/75/43/75/814754375.db2.gz GGSIFSBULKBZTK-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO CN1CC[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000712533244 814763839 /nfs/dbraw/zinc/76/38/39/814763839.db2.gz ZAMNSAWQHDSIBB-QMMMGPOBSA-N 1 0 255.705 2.364 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000173522196 803736064 /nfs/dbraw/zinc/73/60/64/803736064.db2.gz GEKHDQBRNQJXMU-JTQLQIEISA-N 1 0 260.297 2.386 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000136799439 804351239 /nfs/dbraw/zinc/35/12/39/804351239.db2.gz FPEKGGPYSRCBEU-NSHDSACASA-N 1 0 265.313 2.297 20 5 CEBDRO N=C(Nc1cc([N+](=O)[O-])ccc1Cl)SCC[NH3+] ZINC001167914095 804354326 /nfs/dbraw/zinc/35/43/26/804354326.db2.gz HVGYPIBSDHNUAC-UHFFFAOYSA-N 1 0 274.733 2.287 20 5 CEBDRO Cc1cccc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001225634069 805051820 /nfs/dbraw/zinc/05/18/20/805051820.db2.gz ZIAFUFKIBBLEPE-NSHDSACASA-N 1 0 250.298 2.376 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000721788253 805417151 /nfs/dbraw/zinc/41/71/51/805417151.db2.gz LPJIFJZBDYVHQG-NSHDSACASA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567942 807247645 /nfs/dbraw/zinc/24/76/45/807247645.db2.gz DKEGLAPJSYVXRA-PELKAZGASA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000716700613 815143068 /nfs/dbraw/zinc/14/30/68/815143068.db2.gz ULWONFYSHNENEB-LLVKDONJSA-N 1 0 292.257 2.306 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000716730198 815144152 /nfs/dbraw/zinc/14/41/52/815144152.db2.gz JWRSUNAICDBPPX-JTQLQIEISA-N 1 0 294.685 2.354 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000699792852 807845857 /nfs/dbraw/zinc/84/58/57/807845857.db2.gz WSJYURYHHMQNBA-KWQFWETISA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000699837052 807865500 /nfs/dbraw/zinc/86/55/00/807865500.db2.gz OAFXLSCSJVUJHP-NRUUGDAUSA-N 1 0 250.298 2.280 20 5 CEBDRO COC[C@H](c1ccc(Cl)cc1)N(C)CC[N+](=O)[O-] ZINC001119772524 815158530 /nfs/dbraw/zinc/15/85/30/815158530.db2.gz BGPMCNZAPHHULL-GFCCVEGCSA-N 1 0 272.732 2.236 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOCC2CCC2)c1 ZINC001120561996 815237112 /nfs/dbraw/zinc/23/71/12/815237112.db2.gz UYZZATJQFWMCBM-OAHLLOKOSA-N 1 0 294.351 2.035 20 5 CEBDRO COc1ccc(C[NH2+]CC2CSC2)cc1[N+](=O)[O-] ZINC000700444646 809309111 /nfs/dbraw/zinc/30/91/11/809309111.db2.gz MIQOJQPZVKPFQR-UHFFFAOYSA-N 1 0 268.338 2.056 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631399 809334574 /nfs/dbraw/zinc/33/45/74/809334574.db2.gz GWZZXZHSLLLXEY-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701051210 809383509 /nfs/dbraw/zinc/38/35/09/809383509.db2.gz NJRKLSVZSRMING-CYBMUJFWSA-N 1 0 299.758 2.351 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001120883598 815290780 /nfs/dbraw/zinc/29/07/80/815290780.db2.gz ITAHLCFEZFPHDA-YPMHNXCESA-N 1 0 276.340 2.216 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1(C[NH3+])CCC1 ZINC000702053196 809490749 /nfs/dbraw/zinc/49/07/49/809490749.db2.gz OAYZEYDGXGBMGQ-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000702061321 809491570 /nfs/dbraw/zinc/49/15/70/809491570.db2.gz BQBBMUZUZHOMHO-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702057661 809491624 /nfs/dbraw/zinc/49/16/24/809491624.db2.gz YAATVJSWWOGRJH-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1cccc2ncc([N+](=O)[O-])n21 ZINC001168768979 810696224 /nfs/dbraw/zinc/69/62/24/810696224.db2.gz JAKMIKGYNASOAI-UHFFFAOYSA-N 1 0 291.355 2.242 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](C)C[NH+](C)C)n1 ZINC001155916617 811160671 /nfs/dbraw/zinc/16/06/71/811160671.db2.gz OYLFJLYNHMDUBW-MRVPVSSYSA-N 1 0 272.736 2.314 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982840 811309891 /nfs/dbraw/zinc/30/98/91/811309891.db2.gz JCWINVJROXVWBL-COPLHBTASA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001168956291 811312169 /nfs/dbraw/zinc/31/21/69/811312169.db2.gz DGZLMSHGZQIACZ-ZANVPECISA-N 1 0 270.279 2.500 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001168958925 811314556 /nfs/dbraw/zinc/31/45/56/811314556.db2.gz RHXZABLVRNCZMI-STQMWFEESA-N 1 0 294.351 2.239 20 5 CEBDRO Cn1c2ccccc2nc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960191 811314711 /nfs/dbraw/zinc/31/47/11/811314711.db2.gz DNYLGMZFGVTHHX-VXGBXAGGSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001168959556 811314889 /nfs/dbraw/zinc/31/48/89/811314889.db2.gz WQKLAMOZBGFWPX-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO CCOC(CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCC ZINC001168961936 811315609 /nfs/dbraw/zinc/31/56/09/811315609.db2.gz LKHCMEFQDDVBRN-CHWSQXEVSA-N 1 0 288.388 2.201 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001168966943 811318408 /nfs/dbraw/zinc/31/84/08/811318408.db2.gz MIDCRCZBSMKMHJ-CABZTGNLSA-N 1 0 270.279 2.500 20 5 CEBDRO CCCCN(CC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967348 811318792 /nfs/dbraw/zinc/31/87/92/811318792.db2.gz OYPVJUFISWDSPN-KGLIPLIRSA-N 1 0 271.405 2.143 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168967560 811318929 /nfs/dbraw/zinc/31/89/29/811318929.db2.gz QSCLRNQTLMYDAZ-WPRPVWTQSA-N 1 0 283.278 2.325 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168967138 811319019 /nfs/dbraw/zinc/31/90/19/811319019.db2.gz NQCUQPBJBAZUDZ-LOWVWBTDSA-N 1 0 264.325 2.488 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC001168967603 811319205 /nfs/dbraw/zinc/31/92/05/811319205.db2.gz RDXRXPQPSMIMEB-HUUCEWRRSA-N 1 0 278.352 2.238 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC001168967601 811319245 /nfs/dbraw/zinc/31/92/45/811319245.db2.gz RDXRXPQPSMIMEB-CABCVRRESA-N 1 0 278.352 2.238 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)c2ccc(F)cc2)C1 ZINC001168968840 811319668 /nfs/dbraw/zinc/31/96/68/811319668.db2.gz AOOGZZTXXPPYID-DFBGVHRSSA-N 1 0 296.342 2.284 20 5 CEBDRO [NH3+]Cc1ccc2nn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2c1 ZINC001168967920 811320854 /nfs/dbraw/zinc/32/08/54/811320854.db2.gz UQMUIJQTHSMEJV-DGCLKSJQSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ncccc3F)CC2)C1 ZINC001168997335 811326761 /nfs/dbraw/zinc/32/67/61/811326761.db2.gz CHNINJVAGKNKHK-NEPJUHHUSA-N 1 0 293.342 2.287 20 5 CEBDRO [NH3+]CCN(c1ccc(F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999768 811329155 /nfs/dbraw/zinc/32/91/55/811329155.db2.gz VLUXTGCGELUBFG-SMDDNHRTSA-N 1 0 281.331 2.036 20 5 CEBDRO O=C1c2ccccc2CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004114 811331241 /nfs/dbraw/zinc/33/12/41/811331241.db2.gz PXCCZEVKIKDGCN-WHOFXGATSA-N 1 0 288.347 2.219 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC001169010600 811334644 /nfs/dbraw/zinc/33/46/44/811334644.db2.gz FAMVSBDWDCDFMR-WCQYABFASA-N 1 0 276.336 2.196 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC001169010601 811335460 /nfs/dbraw/zinc/33/54/60/811335460.db2.gz FAMVSBDWDCDFMR-YPMHNXCESA-N 1 0 276.336 2.196 20 5 CEBDRO CCOc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168988585 811337711 /nfs/dbraw/zinc/33/77/11/811337711.db2.gz SPOZLWKPHFIISM-STQMWFEESA-N 1 0 294.351 2.326 20 5 CEBDRO [NH3+]Cc1ccc2cn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)nc2c1 ZINC001168987774 811338480 /nfs/dbraw/zinc/33/84/80/811338480.db2.gz KDBDLNVAGRGNSN-WCQYABFASA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168990693 811340180 /nfs/dbraw/zinc/34/01/80/811340180.db2.gz DJCASJYWAZSOJK-UXIGCNINSA-N 1 0 275.352 2.412 20 5 CEBDRO C[N@H+](CCc1cccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033613 811345638 /nfs/dbraw/zinc/34/56/38/811345638.db2.gz CKOATMMBFHNUGQ-ZIAGYGMSSA-N 1 0 263.341 2.001 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ncccn3)CC2)C1 ZINC001169033640 811346406 /nfs/dbraw/zinc/34/64/06/811346406.db2.gz CUVOGSAEDFVMSR-GXTWGEPZSA-N 1 0 290.367 2.101 20 5 CEBDRO Cc1noc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039221 811349379 /nfs/dbraw/zinc/34/93/79/811349379.db2.gz OGGWSHFXRNFDQJ-DGCLKSJQSA-N 1 0 294.355 2.003 20 5 CEBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018865 811353270 /nfs/dbraw/zinc/35/32/70/811353270.db2.gz CUTYZKWYONHNFE-TUVASFSCSA-N 1 0 282.384 2.180 20 5 CEBDRO Cc1ccnn1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046702 811354438 /nfs/dbraw/zinc/35/44/38/811354438.db2.gz MBBQCKHBPFOASA-ZFWWWQNUSA-N 1 0 292.383 2.274 20 5 CEBDRO C[N@H+](Cc1cncs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046692 811354830 /nfs/dbraw/zinc/35/48/30/811354830.db2.gz LVJGUUUJYXZELU-UWVGGRQHSA-N 1 0 255.343 2.020 20 5 CEBDRO Cc1cnc2c(c1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048884 811356953 /nfs/dbraw/zinc/35/69/53/811356953.db2.gz VOFZMUNKLSWYRX-OCCSQVGLSA-N 1 0 275.352 2.194 20 5 CEBDRO C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169057046 811358630 /nfs/dbraw/zinc/35/86/30/811358630.db2.gz UPTHRWPRGITZOL-AAEUAGOBSA-N 1 0 292.335 2.293 20 5 CEBDRO Cc1cc(N2CCCc3ccc(C[NH3+])nc32)ncc1[N+](=O)[O-] ZINC001169589894 811577556 /nfs/dbraw/zinc/57/75/56/811577556.db2.gz DIHLSCXCPQMIJG-UHFFFAOYSA-N 1 0 299.334 2.236 20 5 CEBDRO Cc1cnc(NC(C)(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001169717965 811641689 /nfs/dbraw/zinc/64/16/89/811641689.db2.gz IDYMDGWYYAFHIM-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001156689299 811883754 /nfs/dbraw/zinc/88/37/54/811883754.db2.gz UVMZOJUPZDLCAM-ZCFIWIBFSA-N 1 0 291.138 2.095 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170290995 812383944 /nfs/dbraw/zinc/38/39/44/812383944.db2.gz FWUHULBBVUOHFW-MNOVXSKESA-N 1 0 282.340 2.159 20 5 CEBDRO C[NH2+]CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C(C)(C)C ZINC001157830328 812486037 /nfs/dbraw/zinc/48/60/37/812486037.db2.gz QKGPQGVWDKEOIP-UHFFFAOYSA-N 1 0 286.763 2.468 20 5 CEBDRO CN(CC[NH3+])CCNc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170502972 812583904 /nfs/dbraw/zinc/58/39/04/812583904.db2.gz XAEQDNRZONKGNR-UHFFFAOYSA-N 1 0 294.399 2.195 20 5 CEBDRO CC(C)(CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898977 815539390 /nfs/dbraw/zinc/53/93/90/815539390.db2.gz RGKHHJIASZFTRA-ZDUSSCGKSA-N 1 0 278.352 2.203 20 5 CEBDRO CC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900025 815540011 /nfs/dbraw/zinc/54/00/11/815540011.db2.gz RJVAMXMFSGBARV-CYBMUJFWSA-N 1 0 262.309 2.021 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ccc3cccc([N+](=O)[O-])c3n2)n1 ZINC001158349646 812669011 /nfs/dbraw/zinc/66/90/11/812669011.db2.gz UUYYWWGXTQTULX-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001132451797 812860055 /nfs/dbraw/zinc/86/00/55/812860055.db2.gz NZKHUQDENWTGNC-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC001158757888 812965859 /nfs/dbraw/zinc/96/58/59/812965859.db2.gz SDAHYQOAMXMCNE-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)CC[NH+](C)C ZINC001135504063 813447754 /nfs/dbraw/zinc/44/77/54/813447754.db2.gz AYYDGWRSDJYJOZ-LLVKDONJSA-N 1 0 279.340 2.430 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCO2)c1F ZINC001173179226 815617003 /nfs/dbraw/zinc/61/70/03/815617003.db2.gz OJCWRBZIMZINDV-ZJUUUORDSA-N 1 0 298.314 2.052 20 5 CEBDRO Cn1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000712499975 814751390 /nfs/dbraw/zinc/75/13/90/814751390.db2.gz ZFZKIOWLAMHESX-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000712569713 814767046 /nfs/dbraw/zinc/76/70/46/814767046.db2.gz BXNRKINJOAGGDV-BXUZGUMPSA-N 1 0 263.341 2.340 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc2ccccc2[nH]1 ZINC001116235138 814841593 /nfs/dbraw/zinc/84/15/93/814841593.db2.gz OFYBDWCTVMIULT-UHFFFAOYSA-N 1 0 299.334 2.405 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C)COC2)c1F ZINC001173176435 815616454 /nfs/dbraw/zinc/61/64/54/815616454.db2.gz HCNIYGZNKDEROG-VIFPVBQESA-N 1 0 298.314 2.052 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173216249 815623586 /nfs/dbraw/zinc/62/35/86/815623586.db2.gz HTGNVEKAHFAMSD-JKOKRWQUSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001173220493 815626116 /nfs/dbraw/zinc/62/61/16/815626116.db2.gz ATXMGPBBDZZKMM-KCPJHIHWSA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)CCOC1 ZINC001173229178 815630786 /nfs/dbraw/zinc/63/07/86/815630786.db2.gz LTSNRBLYMXDATC-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nccn1C ZINC001173228961 815631114 /nfs/dbraw/zinc/63/11/14/815631114.db2.gz OQQJYLATOMDRHQ-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]12CCOC2 ZINC001173233376 815632248 /nfs/dbraw/zinc/63/22/48/815632248.db2.gz VZAHLRRYSDHCTD-SWLSCSKDSA-N 1 0 276.336 2.391 20 5 CEBDRO CCOC(=O)CC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232372 815632578 /nfs/dbraw/zinc/63/25/78/815632578.db2.gz FTOXRUOAWCMESV-GFCCVEGCSA-N 1 0 294.351 2.411 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173213561 815637300 /nfs/dbraw/zinc/63/73/00/815637300.db2.gz IPOHIHQFYGJXPY-SNVBAGLBSA-N 1 0 290.323 2.050 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)n1 ZINC001176649219 816459251 /nfs/dbraw/zinc/45/92/51/816459251.db2.gz ICVKDFLRFXFZHE-KBPBESRZSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298508 346815573 /nfs/dbraw/zinc/81/55/73/346815573.db2.gz IXNCJIDXXWGFFQ-LDYMZIIASA-N 1 0 274.267 2.262 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000127773676 187331434 /nfs/dbraw/zinc/33/14/34/187331434.db2.gz FRNQPKCCSAIWCN-CYBMUJFWSA-N 1 0 279.340 2.040 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000035121798 361816645 /nfs/dbraw/zinc/81/66/45/361816645.db2.gz COACURPOTYESOP-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125178241 187173376 /nfs/dbraw/zinc/17/33/76/187173376.db2.gz FYQHLAVFRMHNOU-SMDDNHRTSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327255 346822216 /nfs/dbraw/zinc/82/22/16/346822216.db2.gz MZQZXBAVKGJLAN-MDZLAQPJSA-N 1 0 261.325 2.010 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000036721143 361851436 /nfs/dbraw/zinc/85/14/36/361851436.db2.gz LQSJEGWTTKKUMC-WCQYABFASA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1nn(C)c(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000036749260 361853008 /nfs/dbraw/zinc/85/30/08/361853008.db2.gz MCJAGYUFPAZGGT-NSHDSACASA-N 1 0 295.387 2.313 20 5 CEBDRO CCN(CC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218049 282145615 /nfs/dbraw/zinc/14/56/15/282145615.db2.gz FAOHKCMWIXGOAY-CYBMUJFWSA-N 1 0 279.384 2.457 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000449223885 282147945 /nfs/dbraw/zinc/14/79/45/282147945.db2.gz KTCGSNWFTQWCMF-RYUDHWBXSA-N 1 0 265.357 2.066 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000449238182 282153691 /nfs/dbraw/zinc/15/36/91/282153691.db2.gz FLVRLMGNBILCIR-GFCCVEGCSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775762 361997134 /nfs/dbraw/zinc/99/71/34/361997134.db2.gz JZGMIKQKCUAADZ-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000449284192 282171625 /nfs/dbraw/zinc/17/16/25/282171625.db2.gz OIFZFKHXJPOQRR-MWLCHTKSSA-N 1 0 288.294 2.132 20 5 CEBDRO Cc1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000080574548 344014624 /nfs/dbraw/zinc/01/46/24/344014624.db2.gz FOFZDGIKYGLSFC-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180910937 312776529 /nfs/dbraw/zinc/77/65/29/312776529.db2.gz MUKYFMKZOLPALA-UHFFFAOYSA-N 1 0 280.328 2.010 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341649 282193426 /nfs/dbraw/zinc/19/34/26/282193426.db2.gz ZULSRKXVSHTFCZ-JSGCOSHPSA-N 1 0 296.367 2.167 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126472544 365711775 /nfs/dbraw/zinc/71/17/75/365711775.db2.gz LHRDRHJMQCEZBV-GFCCVEGCSA-N 1 0 250.298 2.109 20 5 CEBDRO COC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037207 362174215 /nfs/dbraw/zinc/17/42/15/362174215.db2.gz IYQHFAUQGYCGIR-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031087255 343406421 /nfs/dbraw/zinc/40/64/21/343406421.db2.gz IWTVMNYSTXYUSP-UHFFFAOYSA-N 1 0 294.355 2.447 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534320 343474342 /nfs/dbraw/zinc/47/43/42/343474342.db2.gz LJIHDUGAIMPUQY-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)C1 ZINC000127516421 365749859 /nfs/dbraw/zinc/74/98/59/365749859.db2.gz CSFMECSNLRBXSE-NWDGAFQWSA-N 1 0 266.345 2.159 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049091983 343534450 /nfs/dbraw/zinc/53/44/50/343534450.db2.gz LDYLKPBJCYAECJ-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000601973658 346947124 /nfs/dbraw/zinc/94/71/24/346947124.db2.gz IERJKJXXYUNURX-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000601980079 346948717 /nfs/dbraw/zinc/94/87/17/346948717.db2.gz DEVYXFVILWISNE-NXEZZACHSA-N 1 0 287.323 2.090 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000601985820 346950614 /nfs/dbraw/zinc/95/06/14/346950614.db2.gz ZAONMJSTMKWADD-VIFPVBQESA-N 1 0 298.774 2.255 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066138324 343708144 /nfs/dbraw/zinc/70/81/44/343708144.db2.gz PKLTVPOILPSMNW-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000063706286 343681402 /nfs/dbraw/zinc/68/14/02/343681402.db2.gz VTCCNCBJCFUIHW-JTQLQIEISA-N 1 0 297.380 2.116 20 5 CEBDRO C[N@H+](CCC1(O)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000411130124 529875533 /nfs/dbraw/zinc/87/55/33/529875533.db2.gz HYUXENVXSMZTNX-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000602170226 346986791 /nfs/dbraw/zinc/98/67/91/346986791.db2.gz IQSZRMGAWOBQJA-VHSXEESVSA-N 1 0 297.380 2.115 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332774 343947818 /nfs/dbraw/zinc/94/78/18/343947818.db2.gz IAFSZGJFLVATSZ-VXGBXAGGSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660896 343960447 /nfs/dbraw/zinc/96/04/47/343960447.db2.gz XOWUYNILRZQQHR-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCCO)CC2 ZINC000088606483 344112441 /nfs/dbraw/zinc/11/24/41/344112441.db2.gz LCJDFHSNRGQHOO-UHFFFAOYSA-N 1 0 264.325 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000088701839 344112827 /nfs/dbraw/zinc/11/28/27/344112827.db2.gz WMDVLUSVOSYZDT-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000091482006 344165013 /nfs/dbraw/zinc/16/50/13/344165013.db2.gz VGMVCLUPHDMRSD-LBPRGKRZSA-N 1 0 267.304 2.486 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899125 344173614 /nfs/dbraw/zinc/17/36/14/344173614.db2.gz VNZSSZJTIRZDEV-ZFWWWQNUSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000089603275 344126049 /nfs/dbraw/zinc/12/60/49/344126049.db2.gz NRQPLBCWMOLRLX-OAHLLOKOSA-N 1 0 291.351 2.260 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927356 344131582 /nfs/dbraw/zinc/13/15/82/344131582.db2.gz VMGHSXCBCIWFJI-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089931746 344132186 /nfs/dbraw/zinc/13/21/86/344132186.db2.gz FBIMKYZHUUVKHH-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([NH+](C)C)CC1 ZINC000091430072 344162773 /nfs/dbraw/zinc/16/27/73/344162773.db2.gz PKNKQLHIVQJCGM-UHFFFAOYSA-N 1 0 293.367 2.272 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000127205773 187289187 /nfs/dbraw/zinc/28/91/87/187289187.db2.gz AWTWRFCFWFDKIH-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452786 347039839 /nfs/dbraw/zinc/03/98/39/347039839.db2.gz IWKFIZQEEAQLND-LBPRGKRZSA-N 1 0 293.367 2.032 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC2)CC1 ZINC000117192194 344288942 /nfs/dbraw/zinc/28/89/42/344288942.db2.gz IFFGTMZVXROXQR-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CC(C)C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469392 347045986 /nfs/dbraw/zinc/04/59/86/347045986.db2.gz UVIJIKVROYUJJY-LLVKDONJSA-N 1 0 266.345 2.196 20 5 CEBDRO Cc1cc(OCC2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC000123453511 344310362 /nfs/dbraw/zinc/31/03/62/344310362.db2.gz LRUJRKQEFRLHSC-UHFFFAOYSA-N 1 0 268.288 2.421 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160108784 344457089 /nfs/dbraw/zinc/45/70/89/344457089.db2.gz QZUYGWFABZXEMU-AWEZNQCLSA-N 1 0 266.341 2.134 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162605092 344468002 /nfs/dbraw/zinc/46/80/02/344468002.db2.gz MFOKNTXQKIWHBY-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000162834897 344468780 /nfs/dbraw/zinc/46/87/80/344468780.db2.gz HFWQMABNWDPQOA-RTXFEEFZSA-N 1 0 291.351 2.208 20 5 CEBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170736797 344489113 /nfs/dbraw/zinc/48/91/13/344489113.db2.gz WHRZABVREDTATQ-GFCCVEGCSA-N 1 0 291.351 2.072 20 5 CEBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000050163167 362407167 /nfs/dbraw/zinc/40/71/67/362407167.db2.gz RZCCJPVXOSSWMH-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2nc[nH]c2C1 ZINC000220532470 344538691 /nfs/dbraw/zinc/53/86/91/344538691.db2.gz CTXAZABAAJPQKX-SECBINFHSA-N 1 0 286.291 2.062 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000449738802 282347374 /nfs/dbraw/zinc/34/73/74/282347374.db2.gz FSZSXWMIVGZOLO-IAQYHMDHSA-N 1 0 278.352 2.276 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC[C@H]2O)cs1 ZINC000052001311 362458712 /nfs/dbraw/zinc/45/87/12/362458712.db2.gz JJZMBCHRDJIKKN-NXEZZACHSA-N 1 0 256.327 2.049 20 5 CEBDRO C[NH2+][C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000053201711 362486365 /nfs/dbraw/zinc/48/63/65/362486365.db2.gz MOMMWIHBACBXEC-NEPJUHHUSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252010752 344638558 /nfs/dbraw/zinc/63/85/58/344638558.db2.gz SAYWWHBNDOMNFE-BXUZGUMPSA-N 1 0 294.351 2.065 20 5 CEBDRO CC[NH+](CC)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310962804 344732170 /nfs/dbraw/zinc/73/21/70/344732170.db2.gz DYQBEFHJRHNDLE-UHFFFAOYSA-N 1 0 272.736 2.397 20 5 CEBDRO CC[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000311023113 344732644 /nfs/dbraw/zinc/73/26/44/344732644.db2.gz ZORBQMUHYGMGLY-ZDUSSCGKSA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCCC[NH2+]2)s1 ZINC000312479546 344738858 /nfs/dbraw/zinc/73/88/58/344738858.db2.gz TWSYQMZSZACFHF-MRVPVSSYSA-N 1 0 293.352 2.154 20 5 CEBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000313052085 344741070 /nfs/dbraw/zinc/74/10/70/344741070.db2.gz SNLLMWDVVAQIPZ-ZFWWWQNUSA-N 1 0 275.352 2.156 20 5 CEBDRO COc1ccncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000315110884 344746912 /nfs/dbraw/zinc/74/69/12/344746912.db2.gz OAWGSJHNDRWWAJ-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000602555992 347075451 /nfs/dbraw/zinc/07/54/51/347075451.db2.gz SKALBZROXGGURH-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602576275 347084833 /nfs/dbraw/zinc/08/48/33/347084833.db2.gz KUWSMDABHVLXHT-CYBMUJFWSA-N 1 0 277.280 2.005 20 5 CEBDRO C[NH+](C)CC1(Nc2ncc([N+](=O)[O-])cc2F)CCC1 ZINC000584826920 344990524 /nfs/dbraw/zinc/99/05/24/344990524.db2.gz MGSHGKXMWLHDKT-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO CCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054110054 362512515 /nfs/dbraw/zinc/51/25/15/362512515.db2.gz QVVHHIMCKPEJIC-NSHDSACASA-N 1 0 251.330 2.197 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590403177 345133870 /nfs/dbraw/zinc/13/38/70/345133870.db2.gz JAOSAZSXCJQLJQ-FZMZJTMJSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1ccc(CNC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591275677 345236614 /nfs/dbraw/zinc/23/66/14/345236614.db2.gz WIWVPWFIANCZEA-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437009 345253703 /nfs/dbraw/zinc/25/37/03/345253703.db2.gz DMDZZLMADDZDEO-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295103928 199346856 /nfs/dbraw/zinc/34/68/56/199346856.db2.gz UMXIYHVMJWOWLH-UHFFFAOYSA-N 1 0 293.371 2.005 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673099 345273280 /nfs/dbraw/zinc/27/32/80/345273280.db2.gz MXRXRMKGPKNTQE-JTQLQIEISA-N 1 0 299.277 2.087 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCC[C@H]1CC[NH2+]C1 ZINC000591686583 345273806 /nfs/dbraw/zinc/27/38/06/345273806.db2.gz BOVOXROKMYCGJJ-LLVKDONJSA-N 1 0 278.308 2.176 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000591757335 345277983 /nfs/dbraw/zinc/27/79/83/345277983.db2.gz OCTJTYAEBPYWFG-YPMHNXCESA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000592211482 345339089 /nfs/dbraw/zinc/33/90/89/345339089.db2.gz YKKILVNCKHYDPU-LLVKDONJSA-N 1 0 279.340 2.209 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000592432385 345352759 /nfs/dbraw/zinc/35/27/59/345352759.db2.gz GMOIGBODMGECOV-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1cn(CC[C@H]2CCC[NH2+]C2)nc1C1CC1 ZINC000592169648 345333818 /nfs/dbraw/zinc/33/38/18/345333818.db2.gz DREITBIQHYJVGM-SNVBAGLBSA-N 1 0 264.329 2.058 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000127405609 187302997 /nfs/dbraw/zinc/30/29/97/187302997.db2.gz DMYRGQUXOZHXSV-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127418840 187304713 /nfs/dbraw/zinc/30/47/13/187304713.db2.gz WMJIBNUCRSJVTA-AWEZNQCLSA-N 1 0 297.330 2.227 20 5 CEBDRO C[C@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593681877 345520035 /nfs/dbraw/zinc/52/00/35/345520035.db2.gz KUKQLOCCRWJQEI-LLVKDONJSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000593692945 345522111 /nfs/dbraw/zinc/52/21/11/345522111.db2.gz HLKGIRZMDMHVCG-UHFFFAOYSA-N 1 0 264.325 2.237 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510191 345640923 /nfs/dbraw/zinc/64/09/23/345640923.db2.gz ARTSBJBSLKTUIV-JOYOIKCWSA-N 1 0 264.325 2.331 20 5 CEBDRO CN(C)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594515060 345642300 /nfs/dbraw/zinc/64/23/00/345642300.db2.gz DTUABFPRSZCITP-CYBMUJFWSA-N 1 0 275.352 2.266 20 5 CEBDRO CC[N@@H+]1CCN(c2c(OC)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000594568566 345649316 /nfs/dbraw/zinc/64/93/16/345649316.db2.gz LROKKNOQPCGAGF-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)[NH3+] ZINC000594736510 345681834 /nfs/dbraw/zinc/68/18/34/345681834.db2.gz QQSUXKOTPJYSPE-SOFGYWHQSA-N 1 0 263.341 2.277 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066256 345738682 /nfs/dbraw/zinc/73/86/82/345738682.db2.gz HBZXUOPRGYEXLC-GXFFZTMASA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C/CO ZINC000595074886 345740321 /nfs/dbraw/zinc/74/03/21/345740321.db2.gz XKOHQMUJPACPKL-UFFNRZRYSA-N 1 0 250.298 2.102 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312431 345759778 /nfs/dbraw/zinc/75/97/78/345759778.db2.gz MLYAURMZMOIIMS-ZWNOBZJWSA-N 1 0 282.315 2.469 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594921976 345703262 /nfs/dbraw/zinc/70/32/62/345703262.db2.gz NGSVBDDZDIOZGV-LLVKDONJSA-N 1 0 298.339 2.127 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCC[C@@H]31)OCCO2 ZINC000594985224 345721987 /nfs/dbraw/zinc/72/19/87/345721987.db2.gz ULMMXXCCNUWFCB-HBYGRHMLSA-N 1 0 290.319 2.254 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000595036772 345732296 /nfs/dbraw/zinc/73/22/96/345732296.db2.gz VZPBREAOQLOXOQ-PWSUYJOCSA-N 1 0 294.351 2.415 20 5 CEBDRO COC[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000595350463 345767157 /nfs/dbraw/zinc/76/71/57/345767157.db2.gz ATMLAECNEHXJSK-OAHLLOKOSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595405168 345775165 /nfs/dbraw/zinc/77/51/65/345775165.db2.gz UXLZSXOFPBHCLH-BDAKNGLRSA-N 1 0 253.302 2.369 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595435245 345782226 /nfs/dbraw/zinc/78/22/26/345782226.db2.gz DBWYZZIWTIOGGQ-ONGXEEELSA-N 1 0 268.288 2.249 20 5 CEBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595466926 345790323 /nfs/dbraw/zinc/79/03/23/345790323.db2.gz SQJPMODAQQJGAW-ZDUSSCGKSA-N 1 0 283.328 2.018 20 5 CEBDRO Cc1noc(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595490161 345794649 /nfs/dbraw/zinc/79/46/49/345794649.db2.gz DSTIKDJOQYSJAB-PWSUYJOCSA-N 1 0 297.355 2.407 20 5 CEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512167 345800908 /nfs/dbraw/zinc/80/09/08/345800908.db2.gz OAZJRHKEIFADNZ-VSYUYLJXSA-N 1 0 283.328 2.040 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595836658 345893134 /nfs/dbraw/zinc/89/31/34/345893134.db2.gz XXACISQVEUYYMK-OLZOCXBDSA-N 1 0 292.335 2.072 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750136 345865696 /nfs/dbraw/zinc/86/56/96/345865696.db2.gz OWSSCOOERPBIDJ-HNNXBMFYSA-N 1 0 276.336 2.332 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759420 345869227 /nfs/dbraw/zinc/86/92/27/345869227.db2.gz PXNJZRSVSDHIDD-UKRRQHHQSA-N 1 0 276.336 2.372 20 5 CEBDRO COc1cc(N2CC([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596179982 345961271 /nfs/dbraw/zinc/96/12/71/345961271.db2.gz SADPNHUQKXWMDD-UHFFFAOYSA-N 1 0 285.731 2.007 20 5 CEBDRO Cc1cc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596078976 345934714 /nfs/dbraw/zinc/93/47/14/345934714.db2.gz HKCLPYXZBJQIFX-UHFFFAOYSA-N 1 0 269.370 2.495 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596090272 345937208 /nfs/dbraw/zinc/93/72/08/345937208.db2.gz ANBWUKOKIOCITJ-SNVBAGLBSA-N 1 0 277.324 2.252 20 5 CEBDRO COCC[NH+]1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596090861 345938088 /nfs/dbraw/zinc/93/80/88/345938088.db2.gz XXPVPVTZZNMJFT-UHFFFAOYSA-N 1 0 299.396 2.487 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596112997 345942612 /nfs/dbraw/zinc/94/26/12/345942612.db2.gz ZDXLNLRHNFMIEV-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])s1 ZINC000596241453 345978361 /nfs/dbraw/zinc/97/83/61/345978361.db2.gz FNGYIPMTEUPFTF-CYBMUJFWSA-N 1 0 281.381 2.497 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CO)CCCC1 ZINC000175996793 232322757 /nfs/dbraw/zinc/32/27/57/232322757.db2.gz XINTYAGMUGHUNS-UHFFFAOYSA-N 1 0 268.288 2.129 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000516905944 313097902 /nfs/dbraw/zinc/09/79/02/313097902.db2.gz UAUNJCAWHSOTLK-QWHCGFSZSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992891 346264951 /nfs/dbraw/zinc/26/49/51/346264951.db2.gz OXQCCKAUXSUUHW-GFCCVEGCSA-N 1 0 293.367 2.282 20 5 CEBDRO C[C@H](C(=O)NCC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597992065 346265248 /nfs/dbraw/zinc/26/52/48/346265248.db2.gz IZTURJJLISWSNI-RYUDHWBXSA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1nccnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000598672445 346397399 /nfs/dbraw/zinc/39/73/99/346397399.db2.gz RPLCMZRYKAAFMS-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598677248 346399819 /nfs/dbraw/zinc/39/98/19/346399819.db2.gz NVGIYWQKZILHGJ-RISCZKNCSA-N 1 0 278.352 2.354 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599015718 346446001 /nfs/dbraw/zinc/44/60/01/346446001.db2.gz MFOJODHLCUDTAX-HAQNSBGRSA-N 1 0 250.298 2.170 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916325 346433938 /nfs/dbraw/zinc/43/39/38/346433938.db2.gz YAEKZXRHASSMMA-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO C/C=C/C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599081413 346457289 /nfs/dbraw/zinc/45/72/89/346457289.db2.gz KKPPSDLNQPAQFY-PGLGOXFNSA-N 1 0 277.324 2.478 20 5 CEBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])nc1 ZINC000599097694 346459820 /nfs/dbraw/zinc/45/98/20/346459820.db2.gz LKUQVKKDYXNMEO-UHFFFAOYSA-N 1 0 252.318 2.180 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000599139376 346466246 /nfs/dbraw/zinc/46/62/46/346466246.db2.gz NQBVMLUGSZBRRH-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO O=c1[nH]ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164071 346470721 /nfs/dbraw/zinc/47/07/21/346470721.db2.gz JAQIGNVRDMDICI-NSHDSACASA-N 1 0 292.339 2.124 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000062999690 362739563 /nfs/dbraw/zinc/73/95/63/362739563.db2.gz YPTLWJXIOPKDME-HNNXBMFYSA-N 1 0 272.304 2.418 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000599609817 346545749 /nfs/dbraw/zinc/54/57/49/346545749.db2.gz BGAOLNKWHNVOHH-NWDGAFQWSA-N 1 0 292.339 2.165 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000600313725 346633335 /nfs/dbraw/zinc/63/33/35/346633335.db2.gz ZKBWPBQNYOYXIM-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000600679465 346672434 /nfs/dbraw/zinc/67/24/34/346672434.db2.gz XAXQSAQNJADCMA-AWEZNQCLSA-N 1 0 275.352 2.277 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H]1C ZINC000600681430 346672873 /nfs/dbraw/zinc/67/28/73/346672873.db2.gz HQRCQXQUBQEMKH-MBNYWOFBSA-N 1 0 277.368 2.256 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000600715676 346676511 /nfs/dbraw/zinc/67/65/11/346676511.db2.gz UUIRDXRVKXQRDM-HNNXBMFYSA-N 1 0 277.368 2.067 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105562 346754056 /nfs/dbraw/zinc/75/40/56/346754056.db2.gz CDNIBTWPAJLXAB-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601108552 346755015 /nfs/dbraw/zinc/75/50/15/346755015.db2.gz IVCWJLRBHJVVLJ-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000601109574 346755425 /nfs/dbraw/zinc/75/54/25/346755425.db2.gz WQIJPNBIAGSCKB-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227562 346795708 /nfs/dbraw/zinc/79/57/08/346795708.db2.gz VCISMGSGSRAOJU-ZWNOBZJWSA-N 1 0 292.339 2.151 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679478 347140864 /nfs/dbraw/zinc/14/08/64/347140864.db2.gz FLHDFMVJBGEFMD-JTQLQIEISA-N 1 0 293.323 2.329 20 5 CEBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602719261 347168933 /nfs/dbraw/zinc/16/89/33/347168933.db2.gz AFYWPTJDENUJAO-SWLSCSKDSA-N 1 0 276.336 2.294 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801120 347205067 /nfs/dbraw/zinc/20/50/67/347205067.db2.gz ZZVMGRRNCHCMGV-GXSJLCMTSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000602801679 347205260 /nfs/dbraw/zinc/20/52/60/347205260.db2.gz YXXNAIFAZHCEJX-LLVKDONJSA-N 1 0 289.339 2.188 20 5 CEBDRO C[C@@](CO)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732086 347175996 /nfs/dbraw/zinc/17/59/96/347175996.db2.gz NNHUZUPZVXCFEB-ZWUHOBOKSA-N 1 0 290.363 2.438 20 5 CEBDRO CC[C@](C)(C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733796 347177487 /nfs/dbraw/zinc/17/74/87/347177487.db2.gz WQUJTOLYWLBCSC-CABCVRRESA-N 1 0 296.367 2.207 20 5 CEBDRO Cc1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000602750795 347185050 /nfs/dbraw/zinc/18/50/50/347185050.db2.gz CTQLQMHMOJCOLB-INIZCTEOSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000602833343 347217187 /nfs/dbraw/zinc/21/71/87/347217187.db2.gz OZECIQFAITVSBK-ZDUSSCGKSA-N 1 0 278.356 2.222 20 5 CEBDRO CCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602840648 347220491 /nfs/dbraw/zinc/22/04/91/347220491.db2.gz OWMFFTWYZQCRFP-GFCCVEGCSA-N 1 0 266.345 2.387 20 5 CEBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602881705 347237411 /nfs/dbraw/zinc/23/74/11/347237411.db2.gz YUZPUVYBOHSLPH-VIFPVBQESA-N 1 0 254.334 2.243 20 5 CEBDRO C[C@@](CO)([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000602963535 347258648 /nfs/dbraw/zinc/25/86/48/347258648.db2.gz XQVUCIHFQXIDQM-HNNXBMFYSA-N 1 0 276.336 2.358 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1(C)C ZINC000603405480 347360797 /nfs/dbraw/zinc/36/07/97/347360797.db2.gz JFULLYHLFOYDLD-MNOVXSKESA-N 1 0 264.329 2.130 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C1(C)C ZINC000603408034 347362242 /nfs/dbraw/zinc/36/22/42/347362242.db2.gz WDVXPCMBCLMVCY-QWRGUYRKSA-N 1 0 264.329 2.130 20 5 CEBDRO CN1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603628843 347382152 /nfs/dbraw/zinc/38/21/52/347382152.db2.gz FEJAPVIVZVTZOA-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO CN1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000608836137 347622524 /nfs/dbraw/zinc/62/25/24/347622524.db2.gz SBZLAYQSWKKYQX-BTKRWWFXSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000609964829 347656320 /nfs/dbraw/zinc/65/63/20/347656320.db2.gz SGOLRSSCZUJTBB-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000610687061 347703592 /nfs/dbraw/zinc/70/35/92/347703592.db2.gz RDEBKWCPFYDSFR-GFCCVEGCSA-N 1 0 278.356 2.380 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000610871129 347719902 /nfs/dbraw/zinc/71/99/02/347719902.db2.gz HRJNMNXMYAGVDX-CYBMUJFWSA-N 1 0 290.319 2.129 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337419 347767637 /nfs/dbraw/zinc/76/76/37/347767637.db2.gz CGYMIXUSZWYCDI-GWCFXTLKSA-N 1 0 264.325 2.406 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370624 347770510 /nfs/dbraw/zinc/77/05/10/347770510.db2.gz LLRPJIJUNZWSCJ-VIFPVBQESA-N 1 0 255.343 2.410 20 5 CEBDRO COCC[N@@H+]1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413130 347776080 /nfs/dbraw/zinc/77/60/80/347776080.db2.gz VJCJLOLUKDTKQV-JTQLQIEISA-N 1 0 285.369 2.179 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610990899 347728262 /nfs/dbraw/zinc/72/82/62/347728262.db2.gz UCHWDMPIQWXIMY-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C2CCCC1CCC2 ZINC000611185202 347749502 /nfs/dbraw/zinc/74/95/02/347749502.db2.gz GQVBWTDNMQEUPL-UHFFFAOYSA-N 1 0 291.351 2.164 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992487 365914264 /nfs/dbraw/zinc/91/42/64/365914264.db2.gz JPLRSEKQMRRJSB-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611515359 347789611 /nfs/dbraw/zinc/78/96/11/347789611.db2.gz PPJZNDMWDXBPDT-YNEHKIRRSA-N 1 0 275.352 2.115 20 5 CEBDRO Cc1cc(NCc2cccnn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336865980 365929729 /nfs/dbraw/zinc/92/97/29/365929729.db2.gz VQPUFZNCUQQANN-UHFFFAOYSA-N 1 0 295.302 2.275 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)C1CC1 ZINC000612577446 347903900 /nfs/dbraw/zinc/90/39/00/347903900.db2.gz PBQIKVOVAPFJHR-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612582077 347904139 /nfs/dbraw/zinc/90/41/39/347904139.db2.gz RLLIGDJGUYYGQP-QEJZJMRPSA-N 1 0 276.336 2.106 20 5 CEBDRO CCc1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000613066837 347968236 /nfs/dbraw/zinc/96/82/36/347968236.db2.gz APXZOVDBHHSCNS-JTQLQIEISA-N 1 0 289.339 2.169 20 5 CEBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000351890424 219240267 /nfs/dbraw/zinc/24/02/67/219240267.db2.gz UNDJYANPAANCAX-AWEZNQCLSA-N 1 0 293.367 2.378 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273434720 192148123 /nfs/dbraw/zinc/14/81/23/192148123.db2.gz YFNLGXBKFPKCIQ-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339574591 215251342 /nfs/dbraw/zinc/25/13/42/215251342.db2.gz PPJWYQUSSOVVOJ-WDEREUQCSA-N 1 0 277.324 2.264 20 5 CEBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090651075 180017887 /nfs/dbraw/zinc/01/78/87/180017887.db2.gz KHNGMLJWOYZMSJ-GFCCVEGCSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1cnc(OCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692863 180025490 /nfs/dbraw/zinc/02/54/90/180025490.db2.gz HFFSZRKBUIRHOJ-NSHDSACASA-N 1 0 265.313 2.067 20 5 CEBDRO NC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271267361 191037331 /nfs/dbraw/zinc/03/73/31/191037331.db2.gz WMIVMXVFVFAKNY-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412040230 233320610 /nfs/dbraw/zinc/32/06/10/233320610.db2.gz QJJVSPVYBMPBLT-SDDRHHMPSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC(O)C1 ZINC000091489710 180169054 /nfs/dbraw/zinc/16/90/54/180169054.db2.gz VEIVOZIXEFHCFQ-UHFFFAOYSA-N 1 0 284.743 2.451 20 5 CEBDRO CCc1nn(C)c(N[C@@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000091561680 180192051 /nfs/dbraw/zinc/19/20/51/180192051.db2.gz QBQRLHALTIOIIQ-JTQLQIEISA-N 1 0 283.376 2.033 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000105489014 186060659 /nfs/dbraw/zinc/06/06/59/186060659.db2.gz CJDREZQIJOYDBW-LBPRGKRZSA-N 1 0 277.368 2.476 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352187844 219350100 /nfs/dbraw/zinc/35/01/00/219350100.db2.gz VFYZROLMKBYSGL-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000105895622 186085192 /nfs/dbraw/zinc/08/51/92/186085192.db2.gz FQSCCSBZWPRDJB-SNVBAGLBSA-N 1 0 279.340 2.160 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393842 180376061 /nfs/dbraw/zinc/37/60/61/180376061.db2.gz MSFBTQAKJLQLLM-MFKMUULPSA-N 1 0 252.314 2.262 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000130580782 365969955 /nfs/dbraw/zinc/96/99/55/365969955.db2.gz VHNFJZMUXKOQFC-MNOVXSKESA-N 1 0 280.324 2.118 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107687961 186187396 /nfs/dbraw/zinc/18/73/96/186187396.db2.gz BWVOHTMRHFRJBQ-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000110791461 186324776 /nfs/dbraw/zinc/32/47/76/186324776.db2.gz KVUUUVHXHCUFCD-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO COc1cc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000111048842 186348181 /nfs/dbraw/zinc/34/81/81/186348181.db2.gz LKXPEUAVEDGOHS-UHFFFAOYSA-N 1 0 279.340 2.357 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000130780335 365990778 /nfs/dbraw/zinc/99/07/78/365990778.db2.gz PMFRZGPVMPNKSC-NSHDSACASA-N 1 0 264.325 2.469 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111829582 186460814 /nfs/dbraw/zinc/46/08/14/186460814.db2.gz XQUWOKGSFIYKCT-LLVKDONJSA-N 1 0 280.328 2.090 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000113364672 186573981 /nfs/dbraw/zinc/57/39/81/186573981.db2.gz NVZSNTOFFBQRIW-LLVKDONJSA-N 1 0 292.339 2.010 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069245 363024590 /nfs/dbraw/zinc/02/45/90/363024590.db2.gz GEEZBUMMPIWLDR-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171984 363045546 /nfs/dbraw/zinc/04/55/46/363045546.db2.gz WMOHZRSPFXHXFI-KOLCDFICSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231867 363059379 /nfs/dbraw/zinc/05/93/79/363059379.db2.gz CMKNMRRWTWXRDO-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131201133 366029012 /nfs/dbraw/zinc/02/90/12/366029012.db2.gz MJEKYZMSVIYCCA-AAEUAGOBSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C)CC1 ZINC000273493805 192173747 /nfs/dbraw/zinc/17/37/47/192173747.db2.gz XHJASJHKMFPHPT-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO COc1cc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291933974 198110477 /nfs/dbraw/zinc/11/04/77/198110477.db2.gz SOEDMBMRFITZPN-JTQLQIEISA-N 1 0 267.329 2.213 20 5 CEBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000131119097 187542489 /nfs/dbraw/zinc/54/24/89/187542489.db2.gz PYBJPBOFCHBDAZ-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070576279 363098638 /nfs/dbraw/zinc/09/86/38/363098638.db2.gz CLFKZVVENFFEEI-DGCLKSJQSA-N 1 0 291.351 2.071 20 5 CEBDRO CC(C)([NH2+]CCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000292097975 198162333 /nfs/dbraw/zinc/16/23/33/198162333.db2.gz HNHMVZOBENHHTE-UHFFFAOYSA-N 1 0 291.351 2.042 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000494635211 290984969 /nfs/dbraw/zinc/98/49/69/290984969.db2.gz FSKJBMXBSIHYEX-VIFPVBQESA-N 1 0 276.296 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154321053 188135879 /nfs/dbraw/zinc/13/58/79/188135879.db2.gz CZEIWDOBXQTBDZ-UHFFFAOYSA-N 1 0 276.336 2.392 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000155149345 188187207 /nfs/dbraw/zinc/18/72/07/188187207.db2.gz LRRHTBLXLVWZOD-MWLCHTKSSA-N 1 0 268.288 2.249 20 5 CEBDRO C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000156402370 188260292 /nfs/dbraw/zinc/26/02/92/188260292.db2.gz DMIRIISUVGBTPN-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)o2)cc1 ZINC000157648992 188329506 /nfs/dbraw/zinc/32/95/06/188329506.db2.gz NUIRNNWHQIBQIS-ZDUSSCGKSA-N 1 0 288.303 2.421 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295180219 199390062 /nfs/dbraw/zinc/39/00/62/199390062.db2.gz HINGVZAPQZFAQH-LLVKDONJSA-N 1 0 293.367 2.116 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908379 366098226 /nfs/dbraw/zinc/09/82/26/366098226.db2.gz DEVIPXAXOJRZPO-CMPLNLGQSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161490417 188531087 /nfs/dbraw/zinc/53/10/87/188531087.db2.gz BIIUXKWEVVNEOD-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO CCC(C)(C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000074320847 363324758 /nfs/dbraw/zinc/32/47/58/363324758.db2.gz WVGNVDPRZVYBNG-UHFFFAOYSA-N 1 0 279.340 2.314 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451634588 283059064 /nfs/dbraw/zinc/05/90/64/283059064.db2.gz RVZDIDYOSZYQAJ-SLEUVZQESA-N 1 0 275.352 2.292 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173709712 188864726 /nfs/dbraw/zinc/86/47/26/188864726.db2.gz RLDMHGFSJBUPJK-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273608991 192228228 /nfs/dbraw/zinc/22/82/28/192228228.db2.gz LIXFFVJDKAEGKT-LBPRGKRZSA-N 1 0 293.371 2.309 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000273660106 192250161 /nfs/dbraw/zinc/25/01/61/192250161.db2.gz HWNWDXGBQYMTPB-GFCCVEGCSA-N 1 0 293.367 2.125 20 5 CEBDRO CC(C)[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134695143 366351882 /nfs/dbraw/zinc/35/18/82/366351882.db2.gz MKLKMDICSJWSSV-GFCCVEGCSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@H](O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570496712 299259574 /nfs/dbraw/zinc/25/95/74/299259574.db2.gz WWSUQBIGEFEYST-LLVKDONJSA-N 1 0 264.325 2.114 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294594243 199100175 /nfs/dbraw/zinc/10/01/75/199100175.db2.gz CZBCZDYJNVLOPQ-GFCCVEGCSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294790053 199183326 /nfs/dbraw/zinc/18/33/26/199183326.db2.gz OHCZZNHGTSFSKR-NVBFEUDRSA-N 1 0 293.367 2.379 20 5 CEBDRO COc1ccc(CNCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000414839071 236512602 /nfs/dbraw/zinc/51/26/02/236512602.db2.gz IRZSMCNVOLXLDA-UHFFFAOYSA-N 1 0 293.367 2.355 20 5 CEBDRO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000294870198 199223408 /nfs/dbraw/zinc/22/34/08/199223408.db2.gz PDQRLJGDUJHGKD-ZDUSSCGKSA-N 1 0 291.351 2.165 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000415427327 236670596 /nfs/dbraw/zinc/67/05/96/236670596.db2.gz FOGLAKPODZBURX-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO CC[C@H]1CN(CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706197 366481641 /nfs/dbraw/zinc/48/16/41/366481641.db2.gz HRZULYOPIFRKKS-ZDUSSCGKSA-N 1 0 293.367 2.426 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296835813 200011117 /nfs/dbraw/zinc/01/11/17/200011117.db2.gz WUUJDIBFBAPILB-NSHDSACASA-N 1 0 291.351 2.304 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000341690416 216067930 /nfs/dbraw/zinc/06/79/30/216067930.db2.gz AABPPTBZRXRXMH-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000579003776 366580269 /nfs/dbraw/zinc/58/02/69/366580269.db2.gz BJQYDTKZUDRAMJ-VZJVUDMVSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000341782303 216100896 /nfs/dbraw/zinc/10/08/96/216100896.db2.gz ZUNGDGYPEYDFOS-UHFFFAOYSA-N 1 0 265.313 2.161 20 5 CEBDRO CC[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000080886620 363689278 /nfs/dbraw/zinc/68/92/78/363689278.db2.gz YENYJJADUAEPKC-LBPRGKRZSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1cnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000579334319 366627649 /nfs/dbraw/zinc/62/76/49/366627649.db2.gz ARPDQRVUDOUPEY-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177597501 189059641 /nfs/dbraw/zinc/05/96/41/189059641.db2.gz QIWRAAIKLKEOSA-STQMWFEESA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1ccc(C[NH+]2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000179723527 189216401 /nfs/dbraw/zinc/21/64/01/189216401.db2.gz KPCLFCSBHNLPNE-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241510 216275100 /nfs/dbraw/zinc/27/51/00/216275100.db2.gz ZSFWGFKXZNFDJW-DTWKUNHWSA-N 1 0 272.251 2.347 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300638958 200899940 /nfs/dbraw/zinc/89/99/40/200899940.db2.gz MNWGIXSHEUHHDY-KBPBESRZSA-N 1 0 294.351 2.377 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342236570 216273498 /nfs/dbraw/zinc/27/34/98/216273498.db2.gz VOQQMRPKFNVGRX-ZDUSSCGKSA-N 1 0 266.341 2.257 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCOC2)c(F)c1 ZINC000342292356 216295580 /nfs/dbraw/zinc/29/55/80/216295580.db2.gz ZETRXEITEHLATM-UHFFFAOYSA-N 1 0 266.272 2.170 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000339571491 366706923 /nfs/dbraw/zinc/70/69/23/366706923.db2.gz KHOXMVSEXOUDAQ-NXEZZACHSA-N 1 0 250.298 2.444 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181575603 189301996 /nfs/dbraw/zinc/30/19/96/189301996.db2.gz XQPFGIJRKDRRJP-VIFPVBQESA-N 1 0 296.277 2.420 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342323505 216311237 /nfs/dbraw/zinc/31/12/37/216311237.db2.gz HTWVYRIMUGMRFT-VWYCJHECSA-N 1 0 252.314 2.323 20 5 CEBDRO COC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183291970 189353697 /nfs/dbraw/zinc/35/36/97/189353697.db2.gz ZYRWFAWLQQGONA-LLVKDONJSA-N 1 0 252.314 2.370 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCn1cccn1 ZINC000183341934 189355340 /nfs/dbraw/zinc/35/53/40/189355340.db2.gz LBRWQKHBOQILGL-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018177904 361516628 /nfs/dbraw/zinc/51/66/28/361516628.db2.gz LNIKCSZDGLRSQZ-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428928 361534275 /nfs/dbraw/zinc/53/42/75/361534275.db2.gz HJPUPYWYQCWJNP-PELKAZGASA-N 1 0 265.313 2.215 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804558 189396156 /nfs/dbraw/zinc/39/61/56/189396156.db2.gz OUNXMGCQEOVKSK-SWHYSGLUSA-N 1 0 291.351 2.290 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301935779 201267438 /nfs/dbraw/zinc/26/74/38/201267438.db2.gz PMWAKLYLZARLBZ-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000301974115 201282519 /nfs/dbraw/zinc/28/25/19/201282519.db2.gz AOCAXWFYVZFPAY-JTQLQIEISA-N 1 0 285.369 2.179 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000088147791 363878718 /nfs/dbraw/zinc/87/87/18/363878718.db2.gz QGZLCEUCGQGZHR-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOC(F)(F)F)c1 ZINC000089051806 363926455 /nfs/dbraw/zinc/92/64/55/363926455.db2.gz AUPYPLIFUDQWLB-UHFFFAOYSA-N 1 0 264.203 2.221 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089107450 363932427 /nfs/dbraw/zinc/93/24/27/363932427.db2.gz ZSCYKRYESUXWRY-FZMZJTMJSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCSCC1 ZINC000089986202 364028334 /nfs/dbraw/zinc/02/83/34/364028334.db2.gz IQJKZMBBEKGOEW-UHFFFAOYSA-N 1 0 282.365 2.413 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478720 189504038 /nfs/dbraw/zinc/50/40/38/189504038.db2.gz VPIWQBJTTPBFHC-WDEREUQCSA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCC1CC[NH+](C)CC1 ZINC000092631848 364090499 /nfs/dbraw/zinc/09/04/99/364090499.db2.gz XGOYJLLTRSIYFL-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000093989886 364245993 /nfs/dbraw/zinc/24/59/93/364245993.db2.gz FKXBVOUBYCADQD-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000094798458 364296558 /nfs/dbraw/zinc/29/65/58/364296558.db2.gz OMXLGFFFXJTPGO-NSHDSACASA-N 1 0 256.327 2.315 20 5 CEBDRO Cc1c(NC(=O)NCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000581931274 366836923 /nfs/dbraw/zinc/83/69/23/366836923.db2.gz GBSCWFCDYIFAJX-UHFFFAOYSA-N 1 0 292.339 2.024 20 5 CEBDRO CCOc1cc(NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000104241407 364688833 /nfs/dbraw/zinc/68/88/33/364688833.db2.gz KPPHNPJKYHYGKS-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866475 365187502 /nfs/dbraw/zinc/18/75/02/365187502.db2.gz ZFTQWDLQBWMTJV-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415289 366877167 /nfs/dbraw/zinc/87/71/67/366877167.db2.gz JUGHBUYATVAUPR-UBHSHLNASA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736133 366951147 /nfs/dbraw/zinc/95/11/47/366951147.db2.gz UDSSGCRHVPFBJD-OUJBWJOFSA-N 1 0 264.325 2.331 20 5 CEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000582772229 366956002 /nfs/dbraw/zinc/95/60/02/366956002.db2.gz VSWNCADSJZYCIR-JTQLQIEISA-N 1 0 294.330 2.049 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340688375 366987899 /nfs/dbraw/zinc/98/78/99/366987899.db2.gz MIJOPXCANWYNQR-LBPRGKRZSA-N 1 0 277.324 2.068 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000340860203 367062246 /nfs/dbraw/zinc/06/22/46/367062246.db2.gz BMZWZCFDJNPLJJ-CYBMUJFWSA-N 1 0 295.383 2.408 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000161523126 367094199 /nfs/dbraw/zinc/09/41/99/367094199.db2.gz NBAJEZMLYDPVRO-DGCLKSJQSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000162911937 367203505 /nfs/dbraw/zinc/20/35/05/367203505.db2.gz UQMGGMNSXKIGOS-NXEZZACHSA-N 1 0 291.307 2.251 20 5 CEBDRO Cc1cnc(CN(C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000342850475 367570194 /nfs/dbraw/zinc/57/01/94/367570194.db2.gz XRIAZBBVTIAZKA-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343271771 367736933 /nfs/dbraw/zinc/73/69/33/367736933.db2.gz CIPDHILSMWKEHD-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455506 367825140 /nfs/dbraw/zinc/82/51/40/367825140.db2.gz JDTSJYKZOIWQFY-BDAKNGLRSA-N 1 0 295.368 2.199 20 5 CEBDRO CSCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000173526248 367919241 /nfs/dbraw/zinc/91/92/41/367919241.db2.gz WIDIFKLQEHWHFZ-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO CC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362360 367902444 /nfs/dbraw/zinc/90/24/44/367902444.db2.gz LAVJXZSVMBTOOJ-DOMZBBRYSA-N 1 0 277.368 2.415 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183638589 368637532 /nfs/dbraw/zinc/63/75/32/368637532.db2.gz KXVWPMFHTRRFQD-JTQLQIEISA-N 1 0 279.340 2.065 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246117039 370910975 /nfs/dbraw/zinc/91/09/75/370910975.db2.gz KTTUIQQLDPOLFH-NEPJUHHUSA-N 1 0 296.396 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOCC(F)F ZINC000349214671 369268600 /nfs/dbraw/zinc/26/86/00/369268600.db2.gz MGAUBXNCFFMXIC-HYXAFXHYSA-N 1 0 286.278 2.479 20 5 CEBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000572826842 299402622 /nfs/dbraw/zinc/40/26/22/299402622.db2.gz FDMYOVZJVSREKO-QWRGUYRKSA-N 1 0 286.335 2.330 20 5 CEBDRO Cc1ccccc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358257222 370975979 /nfs/dbraw/zinc/97/59/79/370975979.db2.gz DXMJGPFUFUZURP-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410070 369512104 /nfs/dbraw/zinc/51/21/04/369512104.db2.gz NCCIAVGUKCGMDT-RYUDHWBXSA-N 1 0 293.367 2.421 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000230893247 189811413 /nfs/dbraw/zinc/81/14/13/189811413.db2.gz ZYAWWTQVFPZFBT-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504586 296145566 /nfs/dbraw/zinc/14/55/66/296145566.db2.gz PGLUEVOXGQNJBU-VHSXEESVSA-N 1 0 281.356 2.377 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189612674 369547732 /nfs/dbraw/zinc/54/77/32/369547732.db2.gz JHKLIPRLLDLJRR-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO CCC1(CC)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000330918061 203388876 /nfs/dbraw/zinc/38/88/76/203388876.db2.gz MTIMDECRTASOGI-UHFFFAOYSA-N 1 0 298.412 2.399 20 5 CEBDRO CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+]1CCCC1 ZINC000192495052 369820682 /nfs/dbraw/zinc/82/06/82/369820682.db2.gz SVWHIFAOFFCFKA-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352716826 369852462 /nfs/dbraw/zinc/85/24/62/369852462.db2.gz HMQNRKPERRKYPT-AWEZNQCLSA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000193389986 369936832 /nfs/dbraw/zinc/93/68/32/369936832.db2.gz XSVRNHOPJRWOFE-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO Cc1c(C[NH2+][C@](C)(CO)C(C)C)cccc1[N+](=O)[O-] ZINC000352906676 369943805 /nfs/dbraw/zinc/94/38/05/369943805.db2.gz CVGMHLJWBHLLMP-CQSZACIVSA-N 1 0 266.341 2.400 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353163696 370047309 /nfs/dbraw/zinc/04/73/09/370047309.db2.gz CRMPGMMLNJRUGW-KBPBESRZSA-N 1 0 298.314 2.018 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226376525 370338510 /nfs/dbraw/zinc/33/85/10/370338510.db2.gz KZSLDKIONYKZKS-LLVKDONJSA-N 1 0 282.365 2.446 20 5 CEBDRO COC[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000354696403 370468424 /nfs/dbraw/zinc/46/84/24/370468424.db2.gz BSKXCIPYPGRINR-XOIDGJRKSA-N 1 0 250.298 2.233 20 5 CEBDRO Cc1c(CNC(=O)[C@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856001 370496512 /nfs/dbraw/zinc/49/65/12/370496512.db2.gz DGTXRUHNJQVSJH-CYBMUJFWSA-N 1 0 291.351 2.052 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000231885770 370497437 /nfs/dbraw/zinc/49/74/37/370497437.db2.gz XIZARWVPNVVHEK-CQSZACIVSA-N 1 0 296.367 2.026 20 5 CEBDRO C[C@@H]([NH3+])CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235156051 370558404 /nfs/dbraw/zinc/55/84/04/370558404.db2.gz YZBUPMDHBYCMKE-ZCFIWIBFSA-N 1 0 278.234 2.158 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000235644854 370572318 /nfs/dbraw/zinc/57/23/18/370572318.db2.gz LJUTWLKROFCCFY-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398875 371049436 /nfs/dbraw/zinc/04/94/36/371049436.db2.gz JUGLYUPGAQABLU-NTZNESFSSA-N 1 0 263.341 2.196 20 5 CEBDRO CC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331639211 204035908 /nfs/dbraw/zinc/03/59/08/204035908.db2.gz MQYRERGHFJNSRM-NSHDSACASA-N 1 0 266.345 2.340 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2[NH2+]CCCC2(C)C)c1[N+](=O)[O-] ZINC000234177535 189821041 /nfs/dbraw/zinc/82/10/41/189821041.db2.gz GLNSEDMAYMKNPH-NSHDSACASA-N 1 0 295.387 2.081 20 5 CEBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000249744097 371358475 /nfs/dbraw/zinc/35/84/75/371358475.db2.gz BCZRPONZAYWBND-QWHCGFSZSA-N 1 0 294.351 2.473 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@H]1C ZINC000360961105 371564605 /nfs/dbraw/zinc/56/46/05/371564605.db2.gz OREYXNQKCJPGTH-LLVKDONJSA-N 1 0 295.387 2.406 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353307480 220018481 /nfs/dbraw/zinc/01/84/81/220018481.db2.gz KSNVLEHMAXJECE-HNNXBMFYSA-N 1 0 275.352 2.263 20 5 CEBDRO Cc1c(CN2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647533 371690346 /nfs/dbraw/zinc/69/03/46/371690346.db2.gz XRBISZYPFJJZFS-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361164074 371691290 /nfs/dbraw/zinc/69/12/90/371691290.db2.gz CYDJKZLDMOSKIQ-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO CC[NH+]1CCC(N(C)c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000361271848 371752781 /nfs/dbraw/zinc/75/27/81/371752781.db2.gz LUJRLSHFPMQDAT-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1C ZINC000261871791 371756275 /nfs/dbraw/zinc/75/62/75/371756275.db2.gz OYJQDNUYHWRHOG-LBPRGKRZSA-N 1 0 293.367 2.176 20 5 CEBDRO [NH3+]C1(c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261820346 371742511 /nfs/dbraw/zinc/74/25/11/371742511.db2.gz QLENKLKULCUUML-VOTSOKGWSA-N 1 0 286.291 2.486 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262061759 371816039 /nfs/dbraw/zinc/81/60/39/371816039.db2.gz RFBLXZOAUZPPIG-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000237310546 189871803 /nfs/dbraw/zinc/87/18/03/189871803.db2.gz NNBLXMQOTRGWCC-SNVBAGLBSA-N 1 0 297.380 2.036 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000344116049 217056446 /nfs/dbraw/zinc/05/64/46/217056446.db2.gz AUORZXBMOURGBW-NEPJUHHUSA-N 1 0 264.325 2.188 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC2)CC1 ZINC000265987526 372032466 /nfs/dbraw/zinc/03/24/66/372032466.db2.gz HLSJXVYLLJBPQN-UHFFFAOYSA-N 1 0 291.351 2.026 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558512 372076825 /nfs/dbraw/zinc/07/68/25/372076825.db2.gz FIJYZQAVAMXHFD-RYUDHWBXSA-N 1 0 263.341 2.371 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802129 372228753 /nfs/dbraw/zinc/22/87/53/372228753.db2.gz BIPHFWYWUMDDBN-KOLCDFICSA-N 1 0 252.314 2.182 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344331884 217155673 /nfs/dbraw/zinc/15/56/73/217155673.db2.gz XSQVXIDWCZBQCE-BXUZGUMPSA-N 1 0 263.341 2.167 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344395879 217180460 /nfs/dbraw/zinc/18/04/60/217180460.db2.gz WMTCOPYWYVQRLW-AWEZNQCLSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000269772578 372563042 /nfs/dbraw/zinc/56/30/42/372563042.db2.gz BUXYFWJEBBYTCU-OLZOCXBDSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH2+]C(C)(C)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000269973256 372619494 /nfs/dbraw/zinc/61/94/94/372619494.db2.gz OWNOVDABUWZQIL-UHFFFAOYSA-N 1 0 265.313 2.207 20 5 CEBDRO CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270418498 372782155 /nfs/dbraw/zinc/78/21/55/372782155.db2.gz ZJFCSSBOGCMXQK-QWHCGFSZSA-N 1 0 299.371 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000365908658 372952615 /nfs/dbraw/zinc/95/26/15/372952615.db2.gz PJAGYPVSUARLPT-LBPRGKRZSA-N 1 0 287.323 2.093 20 5 CEBDRO CC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270932635 373021389 /nfs/dbraw/zinc/02/13/89/373021389.db2.gz UHHURTIFXIFLGA-CQSZACIVSA-N 1 0 264.325 2.330 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369786736 373509708 /nfs/dbraw/zinc/50/97/08/373509708.db2.gz JEPRTOTZZRRJGS-ZIAGYGMSSA-N 1 0 262.309 2.348 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049107 217396716 /nfs/dbraw/zinc/39/67/16/217396716.db2.gz GGLUDHXQHYOQSC-DMDPSCGWSA-N 1 0 262.309 2.182 20 5 CEBDRO CC[C@@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670417 373483262 /nfs/dbraw/zinc/48/32/62/373483262.db2.gz MGSLEVJYWCPZQA-LLVKDONJSA-N 1 0 266.345 2.474 20 5 CEBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000353645029 220219866 /nfs/dbraw/zinc/21/98/66/220219866.db2.gz ANOFDEDLTVIHRA-YVMONPNESA-N 1 0 264.325 2.312 20 5 CEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000274430553 373920515 /nfs/dbraw/zinc/92/05/15/373920515.db2.gz DXASTYBECOYWQS-ZDUSSCGKSA-N 1 0 292.383 2.033 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000274449964 373927067 /nfs/dbraw/zinc/92/70/67/373927067.db2.gz DWNJAZBMRPGJJQ-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC(C)OC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117224 374045857 /nfs/dbraw/zinc/04/58/57/374045857.db2.gz QXJZOYKHJHRUHZ-HNNXBMFYSA-N 1 0 294.351 2.221 20 5 CEBDRO CCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373277422 374312919 /nfs/dbraw/zinc/31/29/19/374312919.db2.gz GYDAKXJOMLUMMF-UHFFFAOYSA-N 1 0 252.318 2.228 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000374047099 374471661 /nfs/dbraw/zinc/47/16/61/374471661.db2.gz AJSOJZAPTKSEJT-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278171132 374740901 /nfs/dbraw/zinc/74/09/01/374740901.db2.gz FUUAYYDISSGDAF-SECBINFHSA-N 1 0 265.269 2.345 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCC1 ZINC000278324928 374780499 /nfs/dbraw/zinc/78/04/99/374780499.db2.gz LJSRGDLCKMAOAF-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCCCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000279719716 374965596 /nfs/dbraw/zinc/96/55/96/374965596.db2.gz LPGBWPJEXXFHOU-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO COc1cc(C[NH2+]C[C@H]2CCSC2)c([N+](=O)[O-])cc1O ZINC000280261516 375147470 /nfs/dbraw/zinc/14/74/70/375147470.db2.gz ZZUNXEBJGXEJHR-SECBINFHSA-N 1 0 298.364 2.152 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280300678 375162179 /nfs/dbraw/zinc/16/21/79/375162179.db2.gz OEGJRWCHEOTQHR-FZMZJTMJSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385608757 375236187 /nfs/dbraw/zinc/23/61/87/375236187.db2.gz DYYOTCAZRFZAFU-ZFWWWQNUSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O ZINC000386813532 375266982 /nfs/dbraw/zinc/26/69/82/375266982.db2.gz SEIFNRXGDVBYEQ-PELKAZGASA-N 1 0 272.732 2.497 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000408172155 375422757 /nfs/dbraw/zinc/42/27/57/375422757.db2.gz SJYYCRSIZQEYSQ-QWHCGFSZSA-N 1 0 290.367 2.280 20 5 CEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282473069 375494124 /nfs/dbraw/zinc/49/41/24/375494124.db2.gz GQBDNJYSPYGNDQ-IAQYHMDHSA-N 1 0 292.335 2.226 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509216 375502307 /nfs/dbraw/zinc/50/23/07/375502307.db2.gz YSMOJAYVOKDXGM-YBTHPKLGSA-N 1 0 296.392 2.465 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414535667 375841859 /nfs/dbraw/zinc/84/18/59/375841859.db2.gz WQKDHPJUEXPQBC-KGLIPLIRSA-N 1 0 266.341 2.480 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414658075 375903877 /nfs/dbraw/zinc/90/38/77/375903877.db2.gz LBKJTDVGXGOGAF-PWSUYJOCSA-N 1 0 292.339 2.023 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585571 375869332 /nfs/dbraw/zinc/86/93/32/375869332.db2.gz UEQFIGANNADLEV-CHWSQXEVSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414770165 375958671 /nfs/dbraw/zinc/95/86/71/375958671.db2.gz OLAWTUIBADFEQW-CQSZACIVSA-N 1 0 281.331 2.037 20 5 CEBDRO CCN1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)[C@@H](C)C1 ZINC000286525717 375981360 /nfs/dbraw/zinc/98/13/60/375981360.db2.gz ZYSZZPXSCPFJDL-NSHDSACASA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347451 375921454 /nfs/dbraw/zinc/92/14/54/375921454.db2.gz XQWMOKGMMXOVLB-BXUZGUMPSA-N 1 0 296.392 2.456 20 5 CEBDRO CCCC[C@@H](C[NH3+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414808731 375995968 /nfs/dbraw/zinc/99/59/68/375995968.db2.gz FTBCKPGWGAGDGZ-LBPRGKRZSA-N 1 0 281.356 2.211 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000286713771 376043589 /nfs/dbraw/zinc/04/35/89/376043589.db2.gz WXRMAKBYHSGCNW-FHXAZYNBSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1c(NC(=O)CC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261789348 190044199 /nfs/dbraw/zinc/04/41/99/190044199.db2.gz QHFVEYBXKWVYFC-NSHDSACASA-N 1 0 277.324 2.374 20 5 CEBDRO [NH3+]CCCCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262627212 190059168 /nfs/dbraw/zinc/05/91/68/190059168.db2.gz JCVITSXSPLDPQD-UHFFFAOYSA-N 1 0 291.351 2.393 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346119712 217806344 /nfs/dbraw/zinc/80/63/44/217806344.db2.gz JFHUAWCXICZZIS-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CC1 ZINC000419001953 376377767 /nfs/dbraw/zinc/37/77/67/376377767.db2.gz BITLJQKTEOUUQI-UHFFFAOYSA-N 1 0 279.340 2.247 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000305814356 376501370 /nfs/dbraw/zinc/50/13/70/376501370.db2.gz JJKNOSXQESNRNB-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1c[nH]nc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020751 376604443 /nfs/dbraw/zinc/60/44/43/376604443.db2.gz VDLHXFRIBLHILW-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO [NH3+]CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420108181 376572631 /nfs/dbraw/zinc/57/26/31/376572631.db2.gz BXOLPCCAWQAQFE-UHFFFAOYSA-N 1 0 250.085 2.272 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423437 190109008 /nfs/dbraw/zinc/10/90/08/190109008.db2.gz MVNUBCTWJBQNBM-WFASDCNBSA-N 1 0 294.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000311325440 376664053 /nfs/dbraw/zinc/66/40/53/376664053.db2.gz BLKCMFYEXVIEOW-WCQYABFASA-N 1 0 264.325 2.236 20 5 CEBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000420268053 376680455 /nfs/dbraw/zinc/68/04/55/376680455.db2.gz DMLKNHINVWKNKG-CYBMUJFWSA-N 1 0 287.323 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCOC2)c(F)c1 ZINC000311958031 376696182 /nfs/dbraw/zinc/69/61/82/376696182.db2.gz ISJQUNPLOCLILB-SNVBAGLBSA-N 1 0 268.288 2.250 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000314140159 376764411 /nfs/dbraw/zinc/76/44/11/376764411.db2.gz JMAZBWNFAKCPHO-NEPJUHHUSA-N 1 0 293.371 2.158 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000420963859 376748605 /nfs/dbraw/zinc/74/86/05/376748605.db2.gz OJAJVTXWEROIGN-ZDUSSCGKSA-N 1 0 278.356 2.303 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000290682836 376881422 /nfs/dbraw/zinc/88/14/22/376881422.db2.gz SRSWVECTXTZOKN-VIFPVBQESA-N 1 0 284.335 2.458 20 5 CEBDRO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000423142932 377041168 /nfs/dbraw/zinc/04/11/68/377041168.db2.gz BTLMLTQSBUFBID-MISXGVKJSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000562779204 376999145 /nfs/dbraw/zinc/99/91/45/376999145.db2.gz VUJSYBIVOAPFOC-LLVKDONJSA-N 1 0 288.307 2.114 20 5 CEBDRO C[C@@H](O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264701811 190129990 /nfs/dbraw/zinc/12/99/90/190129990.db2.gz IFWZCVAURHETIG-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000330434273 377130538 /nfs/dbraw/zinc/13/05/38/377130538.db2.gz PRAOWLUSTDOQCK-GFCCVEGCSA-N 1 0 291.351 2.039 20 5 CEBDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270460 377189245 /nfs/dbraw/zinc/18/92/45/377189245.db2.gz WTZROEROJMLDLQ-MFKMUULPSA-N 1 0 251.330 2.229 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269702 377189282 /nfs/dbraw/zinc/18/92/82/377189282.db2.gz FTNILFLBFWISRW-MFKMUULPSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1c(C[N@@H+]2CCSC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000330955331 377212842 /nfs/dbraw/zinc/21/28/42/377212842.db2.gz GZNJWJZIRCZJEQ-ZDUSSCGKSA-N 1 0 296.392 2.203 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331129395 377293386 /nfs/dbraw/zinc/29/33/86/377293386.db2.gz IVCMFJDNCVODCN-CQSZACIVSA-N 1 0 291.351 2.007 20 5 CEBDRO Nc1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000293071739 377418154 /nfs/dbraw/zinc/41/81/54/377418154.db2.gz NDASPJOWWSGEMQ-LBPRGKRZSA-N 1 0 290.367 2.099 20 5 CEBDRO CCN(CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293276497 377501758 /nfs/dbraw/zinc/50/17/58/377501758.db2.gz COCHFXBVVYNXHP-NSHDSACASA-N 1 0 292.383 2.312 20 5 CEBDRO Cc1nocc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000293229650 377482569 /nfs/dbraw/zinc/48/25/69/377482569.db2.gz KPIXHIGFNIPLTB-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564970546 377518102 /nfs/dbraw/zinc/51/81/02/377518102.db2.gz GGIZIKKPAUEHJH-NXEZZACHSA-N 1 0 280.328 2.151 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000293401672 377553526 /nfs/dbraw/zinc/55/35/26/377553526.db2.gz LPDFHGDENXYIDS-WDEREUQCSA-N 1 0 250.298 2.314 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430921086 377565320 /nfs/dbraw/zinc/56/53/20/377565320.db2.gz RRYNZAMQHFWXFD-SNVBAGLBSA-N 1 0 281.331 2.293 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000574399476 299492145 /nfs/dbraw/zinc/49/21/45/299492145.db2.gz ACSVQZHPQDTGHL-RRFJBIMHSA-N 1 0 294.351 2.439 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000293548714 377622926 /nfs/dbraw/zinc/62/29/26/377622926.db2.gz DSLIPJFNJZEMQS-ZDUSSCGKSA-N 1 0 250.298 2.124 20 5 CEBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293704105 377711621 /nfs/dbraw/zinc/71/16/21/377711621.db2.gz LMDZQUDXPXCYSC-VHSXEESVSA-N 1 0 267.329 2.253 20 5 CEBDRO Cc1ccccc1CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000295700167 378270436 /nfs/dbraw/zinc/27/04/36/378270436.db2.gz MJKRKOFLDAKUMN-UHFFFAOYSA-N 1 0 288.351 2.274 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450598845 378493103 /nfs/dbraw/zinc/49/31/03/378493103.db2.gz RQFRSBQNISJAQG-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO CCn1ccnc1[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000450827456 378597057 /nfs/dbraw/zinc/59/70/57/378597057.db2.gz HVBILUHQTSWLHH-SSDOTTSWSA-N 1 0 267.314 2.441 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000450832121 378601751 /nfs/dbraw/zinc/60/17/51/378601751.db2.gz QMGBTHUNXZMSLO-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296650302 378604913 /nfs/dbraw/zinc/60/49/13/378604913.db2.gz IXMSCTZTAPBTKP-HNNXBMFYSA-N 1 0 294.351 2.462 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498862 378747055 /nfs/dbraw/zinc/74/70/55/378747055.db2.gz MWTGLIIVQSKJQP-UWVGGRQHSA-N 1 0 295.364 2.013 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000266226072 190241688 /nfs/dbraw/zinc/24/16/88/190241688.db2.gz RVKREXLVCBMXQG-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC(C)([NH3+])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346823219 218025232 /nfs/dbraw/zinc/02/52/32/218025232.db2.gz NLIOWFPBJVDADX-UHFFFAOYSA-N 1 0 263.341 2.297 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453300159 378858940 /nfs/dbraw/zinc/85/89/40/378858940.db2.gz VLVTWEXBCAAOJK-NJZAAPMLSA-N 1 0 294.351 2.297 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000453419203 378898411 /nfs/dbraw/zinc/89/84/11/378898411.db2.gz WQMVWXGKACRPIS-OASPWFOLSA-N 1 0 250.298 2.159 20 5 CEBDRO CC(C)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993915 218082653 /nfs/dbraw/zinc/08/26/53/218082653.db2.gz AYLTXFNGICCROJ-CYBMUJFWSA-N 1 0 277.368 2.499 20 5 CEBDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289456516 197355308 /nfs/dbraw/zinc/35/53/08/197355308.db2.gz CBXIHZOJUBIJRW-QWHCGFSZSA-N 1 0 277.324 2.167 20 5 CEBDRO Cc1c(NC(=O)N2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000516855162 379316018 /nfs/dbraw/zinc/31/60/18/379316018.db2.gz XZIAKRIGNXKZIH-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO CN1CCO[C@@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597760 379443648 /nfs/dbraw/zinc/44/36/48/379443648.db2.gz MYWSWHQSDKDYIL-SNVBAGLBSA-N 1 0 268.338 2.018 20 5 CEBDRO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000303990184 379505936 /nfs/dbraw/zinc/50/59/36/379505936.db2.gz KZSAEHADLRTSAK-GFCCVEGCSA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304314899 379553297 /nfs/dbraw/zinc/55/32/97/379553297.db2.gz KZGJKTNEQTZAMV-ZIAGYGMSSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000267004050 190296066 /nfs/dbraw/zinc/29/60/66/190296066.db2.gz FAOIENMDVQYKCO-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO CC[NH+](CC)CCOCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000347878597 218387735 /nfs/dbraw/zinc/38/77/35/218387735.db2.gz NIOWBZHODGVGED-UHFFFAOYSA-N 1 0 296.371 2.069 20 5 CEBDRO Cc1cnc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889119 190360735 /nfs/dbraw/zinc/36/07/35/190360735.db2.gz RBYPPILHWSFJAU-GHMZBOCLSA-N 1 0 276.340 2.335 20 5 CEBDRO CC(C)(O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078095 380868142 /nfs/dbraw/zinc/86/81/42/380868142.db2.gz PNDRLTKRFNJYKQ-NWDGAFQWSA-N 1 0 296.371 2.026 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235346 194345197 /nfs/dbraw/zinc/34/51/97/194345197.db2.gz FFSIAEVOWHYFQR-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000279236750 194346252 /nfs/dbraw/zinc/34/62/52/194346252.db2.gz JQFSLBYPRGOGGX-SMDDNHRTSA-N 1 0 294.351 2.244 20 5 CEBDRO C[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000288638745 197133020 /nfs/dbraw/zinc/13/30/20/197133020.db2.gz ZADAMVBDXHAHMZ-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349333775 218848202 /nfs/dbraw/zinc/84/82/02/218848202.db2.gz RKEFJGDSKDAUPV-LLVKDONJSA-N 1 0 292.257 2.306 20 5 CEBDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254949 219003283 /nfs/dbraw/zinc/00/32/83/219003283.db2.gz RXCOUAHOQSXIAJ-GXFFZTMASA-N 1 0 297.786 2.330 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089588 285164123 /nfs/dbraw/zinc/16/41/23/285164123.db2.gz KESYHTMKSYQKFM-LBPRGKRZSA-N 1 0 261.325 2.269 20 5 CEBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000080899379 177724727 /nfs/dbraw/zinc/72/47/27/177724727.db2.gz YJGLLDAYFDFRKD-LBPRGKRZSA-N 1 0 272.732 2.499 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614429 195309004 /nfs/dbraw/zinc/30/90/04/195309004.db2.gz NGHWVJJCCLOTNA-UKRRQHHQSA-N 1 0 296.367 2.423 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957890 394454540 /nfs/dbraw/zinc/45/45/40/394454540.db2.gz BFQLTXXGOSJPJF-LBPRGKRZSA-N 1 0 278.356 2.340 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000421022935 394467985 /nfs/dbraw/zinc/46/79/85/394467985.db2.gz PJXGWHQLPKFLIZ-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413102458 394483426 /nfs/dbraw/zinc/48/34/26/394483426.db2.gz FAWCAZNCKFXSKC-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180760 394498650 /nfs/dbraw/zinc/49/86/50/394498650.db2.gz NOAXQSQZZGDTFA-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000305205166 394500532 /nfs/dbraw/zinc/50/05/32/394500532.db2.gz XQNPJWBFJUMYJP-TZMCWYRMSA-N 1 0 278.352 2.230 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356779160 394611117 /nfs/dbraw/zinc/61/11/17/394611117.db2.gz RDQZBSUKHIUEDH-SNVBAGLBSA-N 1 0 297.330 2.192 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791005 394615369 /nfs/dbraw/zinc/61/53/69/394615369.db2.gz IFFOAQGCFBDGJD-NWDGAFQWSA-N 1 0 263.341 2.432 20 5 CEBDRO CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413824555 394645718 /nfs/dbraw/zinc/64/57/18/394645718.db2.gz CYZJOWOUWKPINP-LBPRGKRZSA-N 1 0 293.367 2.286 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422719943 394739558 /nfs/dbraw/zinc/73/95/58/394739558.db2.gz RQSAXAINHPDBSI-UONOGXRCSA-N 1 0 293.367 2.353 20 5 CEBDRO CCC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269343162 394717311 /nfs/dbraw/zinc/71/73/11/394717311.db2.gz COHNOEHIGYSGII-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000414833340 394759951 /nfs/dbraw/zinc/75/99/51/394759951.db2.gz AIBBSCWXXYCAKJ-UHFFFAOYSA-N 1 0 263.341 2.346 20 5 CEBDRO Cc1ccc(CN[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414854830 394772264 /nfs/dbraw/zinc/77/22/64/394772264.db2.gz VREBLKGXDPIZBQ-CYBMUJFWSA-N 1 0 265.357 2.366 20 5 CEBDRO CCC[NH2+]CCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000414864494 394776864 /nfs/dbraw/zinc/77/68/64/394776864.db2.gz CTTMYJZJICSLJG-UHFFFAOYSA-N 1 0 281.356 2.083 20 5 CEBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000414886421 394788722 /nfs/dbraw/zinc/78/87/22/394788722.db2.gz YCWZSSAMYZNFHF-UHFFFAOYSA-N 1 0 269.732 2.219 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422842217 394824496 /nfs/dbraw/zinc/82/44/96/394824496.db2.gz FKJJWSLNASXVNE-DGCLKSJQSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000414896643 394793772 /nfs/dbraw/zinc/79/37/72/394793772.db2.gz CJYJQXNLIBYTSA-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC[NH3+])C(F)(F)F ZINC000415062642 394869324 /nfs/dbraw/zinc/86/93/24/394869324.db2.gz YXYSBZQSXSMQIY-NSHDSACASA-N 1 0 291.273 2.273 20 5 CEBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)C1=CC[N@H+](C)CC1 ZINC000281902078 394872521 /nfs/dbraw/zinc/87/25/21/394872521.db2.gz MUQRSGQEVSCPNG-QMMMGPOBSA-N 1 0 268.342 2.114 20 5 CEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000281935440 394879782 /nfs/dbraw/zinc/87/97/82/394879782.db2.gz BFMFOVDLQOIZFP-IAQYHMDHSA-N 1 0 292.335 2.226 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415300064 394920038 /nfs/dbraw/zinc/92/00/38/394920038.db2.gz RCYQLYBCPYXAKE-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419805 394930150 /nfs/dbraw/zinc/93/01/50/394930150.db2.gz RIAOFQGMOAXLCW-JQWIXIFHSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415424481 394930972 /nfs/dbraw/zinc/93/09/72/394930972.db2.gz BDFQPCDJHVHJEE-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415433675 394931909 /nfs/dbraw/zinc/93/19/09/394931909.db2.gz MGLNYZCHFOOSQS-MNOVXSKESA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415433669 394931912 /nfs/dbraw/zinc/93/19/12/394931912.db2.gz MGLNYZCHFOOSQS-GHMZBOCLSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415493138 394937632 /nfs/dbraw/zinc/93/76/32/394937632.db2.gz CSXMVYGEWJRPJV-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415507700 394938966 /nfs/dbraw/zinc/93/89/66/394938966.db2.gz TVUHJQOIVCWKMP-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415507319 394939266 /nfs/dbraw/zinc/93/92/66/394939266.db2.gz SVLXCZUHWPTFTH-AWEZNQCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415508543 394940041 /nfs/dbraw/zinc/94/00/41/394940041.db2.gz VDRNQQQCNJEOGN-MNOVXSKESA-N 1 0 292.339 2.117 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635954 394950415 /nfs/dbraw/zinc/95/04/15/394950415.db2.gz WHPZISZPQXEDNH-NSHDSACASA-N 1 0 296.302 2.079 20 5 CEBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285999688 394998495 /nfs/dbraw/zinc/99/84/95/394998495.db2.gz GEFOYAUYDCENJB-GHMZBOCLSA-N 1 0 284.385 2.055 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153449347 395007869 /nfs/dbraw/zinc/00/78/69/395007869.db2.gz ZVLFMTFLOJGXPU-HNNXBMFYSA-N 1 0 292.335 2.086 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415765872 394961764 /nfs/dbraw/zinc/96/17/64/394961764.db2.gz RRJWDBNUDVSHBP-UHFFFAOYSA-N 1 0 292.339 2.160 20 5 CEBDRO Cn1cncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000289623470 395081949 /nfs/dbraw/zinc/08/19/49/395081949.db2.gz DTPZYQKRXVLKMP-HNNXBMFYSA-N 1 0 286.335 2.496 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000289793033 395086935 /nfs/dbraw/zinc/08/69/35/395086935.db2.gz NHWPBTYVPJQQQN-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C(F)F)CCC2 ZINC000436282601 395104612 /nfs/dbraw/zinc/10/46/12/395104612.db2.gz HQWKZQPYERSNCH-VXGBXAGGSA-N 1 0 286.278 2.188 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176206134 395137230 /nfs/dbraw/zinc/13/72/30/395137230.db2.gz TWNIQEZLWWPXBW-JTQLQIEISA-N 1 0 264.329 2.054 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000417819674 395134624 /nfs/dbraw/zinc/13/46/24/395134624.db2.gz BYMHECJTJAEUCV-WDEREUQCSA-N 1 0 294.355 2.001 20 5 CEBDRO CCn1cncc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000417949691 395162320 /nfs/dbraw/zinc/16/23/20/395162320.db2.gz JMGNMBLQRJQMBU-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618794 395236839 /nfs/dbraw/zinc/23/68/39/395236839.db2.gz JBTJOKSAFJFMPN-YPMHNXCESA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000433074102 395195895 /nfs/dbraw/zinc/19/58/95/395195895.db2.gz UZVNODUWAMTCIV-XQQFMLRXSA-N 1 0 296.371 2.026 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000437832352 395198807 /nfs/dbraw/zinc/19/88/07/395198807.db2.gz GIDRVNZEZNXMFY-AWEZNQCLSA-N 1 0 286.335 2.108 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000293056831 395218089 /nfs/dbraw/zinc/21/80/89/395218089.db2.gz RZQXVOCDUXKTPP-SMDDNHRTSA-N 1 0 264.325 2.236 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420275849 395288424 /nfs/dbraw/zinc/28/84/24/395288424.db2.gz HCDCHWYOHCJYNF-DTWKUNHWSA-N 1 0 268.292 2.058 20 5 CEBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000419315500 395255470 /nfs/dbraw/zinc/25/54/70/395255470.db2.gz JXJBZOYUKRSRIN-ZJUUUORDSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1(C)C ZINC000419315884 395257926 /nfs/dbraw/zinc/25/79/26/395257926.db2.gz KOIYXCLSKDJJSC-WDEREUQCSA-N 1 0 266.345 2.206 20 5 CEBDRO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371852 395358535 /nfs/dbraw/zinc/35/85/35/395358535.db2.gz PULXZKJTVCTHAM-TYNCELHUSA-N 1 0 277.368 2.113 20 5 CEBDRO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371849 395359065 /nfs/dbraw/zinc/35/90/65/395359065.db2.gz PULXZKJTVCTHAM-JMSVASOKSA-N 1 0 277.368 2.113 20 5 CEBDRO COc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000420359134 395346386 /nfs/dbraw/zinc/34/63/86/395346386.db2.gz FZNVZFOEEZDFSB-JRPNMDOOSA-N 1 0 293.367 2.080 20 5 CEBDRO CC1(C)CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000446068212 395480922 /nfs/dbraw/zinc/48/09/22/395480922.db2.gz QNJPAOPJCQOQEA-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000568107704 395548964 /nfs/dbraw/zinc/54/89/64/395548964.db2.gz WAHZIYPTMYFQLR-ZWNOBZJWSA-N 1 0 262.309 2.351 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ncc[nH]3)c2c1 ZINC000572796274 395587517 /nfs/dbraw/zinc/58/75/17/395587517.db2.gz CHIGRPCDJVAEPV-UHFFFAOYSA-N 1 0 285.307 2.132 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000574898370 395640366 /nfs/dbraw/zinc/64/03/66/395640366.db2.gz QWJQWKRAWULYHA-ABAIWWIYSA-N 1 0 298.346 2.283 20 5 CEBDRO CO[C@@H]1C[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000331107401 285773497 /nfs/dbraw/zinc/77/34/97/285773497.db2.gz JKDJISQZIWNGIL-LERXQTSPSA-N 1 0 280.324 2.001 20 5 CEBDRO COCC[N@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359911039 155164331 /nfs/dbraw/zinc/16/43/31/155164331.db2.gz KKXXSEBUEOQHOR-UHFFFAOYSA-N 1 0 299.346 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000088147752 292283295 /nfs/dbraw/zinc/28/32/95/292283295.db2.gz GMPNGFVAUIKBCN-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO COc1ccc(C[NH2+]C(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000227344220 153340984 /nfs/dbraw/zinc/34/09/84/153340984.db2.gz IZKILECXEKETME-UHFFFAOYSA-N 1 0 282.340 2.243 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227817798 153352411 /nfs/dbraw/zinc/35/24/11/153352411.db2.gz DRLLCTDNDMHRGC-NEPJUHHUSA-N 1 0 293.371 2.158 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000230164032 153385668 /nfs/dbraw/zinc/38/56/68/153385668.db2.gz AKCYLVHABFHZSK-LLVKDONJSA-N 1 0 280.324 2.120 20 5 CEBDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000230876174 153398369 /nfs/dbraw/zinc/39/83/69/153398369.db2.gz AQVIJXGKPUJGID-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246964676 292288518 /nfs/dbraw/zinc/28/85/18/292288518.db2.gz JACPHNSDSWHUDY-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000133575487 292288895 /nfs/dbraw/zinc/28/88/95/292288895.db2.gz JACPHNSDSWHUDY-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)CC1 ZINC000272342971 292295832 /nfs/dbraw/zinc/29/58/32/292295832.db2.gz PDBIIOGUTSCDQV-NSHDSACASA-N 1 0 264.325 2.421 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[C@H]1O ZINC000352663877 154327402 /nfs/dbraw/zinc/32/74/02/154327402.db2.gz AFWZWJKPHHVVKI-NWDGAFQWSA-N 1 0 291.307 2.081 20 5 CEBDRO CSCCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375404157 157093085 /nfs/dbraw/zinc/09/30/85/157093085.db2.gz NMUQQOYKUPPKBS-LLVKDONJSA-N 1 0 284.385 2.181 20 5 CEBDRO COC(C)(C)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000531576293 298111844 /nfs/dbraw/zinc/11/18/44/298111844.db2.gz SGHFCPFFJMZKSH-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173056960 162424264 /nfs/dbraw/zinc/42/42/64/162424264.db2.gz ZBHZGQDNGCOYNP-NSHDSACASA-N 1 0 293.367 2.301 20 5 CEBDRO CC(C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176267024 165158282 /nfs/dbraw/zinc/15/82/82/165158282.db2.gz FBHMXLAKORDHGD-UHFFFAOYSA-N 1 0 266.345 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000020146881 171033263 /nfs/dbraw/zinc/03/32/63/171033263.db2.gz LZEYCYPHRJCYPP-OAHLLOKOSA-N 1 0 294.351 2.270 20 5 CEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC2)c1 ZINC000035414806 172189087 /nfs/dbraw/zinc/18/90/87/172189087.db2.gz SBHDBSZJQQOMFH-UHFFFAOYSA-N 1 0 258.224 2.448 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285304314 196245264 /nfs/dbraw/zinc/24/52/64/196245264.db2.gz SFELOFYKWVCVRP-CKYFFXLPSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446471 196286573 /nfs/dbraw/zinc/28/65/73/196286573.db2.gz XSMXNFPALRWHQB-SDBXPKJASA-N 1 0 286.278 2.388 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285662530 196358840 /nfs/dbraw/zinc/35/88/40/196358840.db2.gz ZCHZVSFDVBQDFU-YPMHNXCESA-N 1 0 264.325 2.357 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285662527 196359168 /nfs/dbraw/zinc/35/91/68/196359168.db2.gz ZCHZVSFDVBQDFU-WCQYABFASA-N 1 0 264.325 2.357 20 5 CEBDRO COC(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037415954 173192625 /nfs/dbraw/zinc/19/26/25/173192625.db2.gz GJGGVLGEVILKFC-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060579 174071326 /nfs/dbraw/zinc/07/13/26/174071326.db2.gz YVHUJWXPCGHHNP-UONOGXRCSA-N 1 0 280.324 2.051 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672679 174370383 /nfs/dbraw/zinc/37/03/83/174370383.db2.gz QEABEDVAOVTKEP-WCQYABFASA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672575 174370427 /nfs/dbraw/zinc/37/04/27/174370427.db2.gz JVUCEDRWVJHFQB-WCQYABFASA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604229571 414821801 /nfs/dbraw/zinc/82/18/01/414821801.db2.gz YQQAXFATEWFGAX-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO COC[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044478242 175179102 /nfs/dbraw/zinc/17/91/02/175179102.db2.gz JXPURXXEPWTXBK-JTQLQIEISA-N 1 0 252.314 2.275 20 5 CEBDRO Cc1c(CN2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000044559180 175204186 /nfs/dbraw/zinc/20/41/86/175204186.db2.gz NIAPDDZYCSBOCD-CYBMUJFWSA-N 1 0 263.341 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCn2ccnc2)cc1 ZINC000045107110 175308307 /nfs/dbraw/zinc/30/83/07/175308307.db2.gz IBJZPZOXILCBEZ-UHFFFAOYSA-N 1 0 288.351 2.404 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000054128466 175554252 /nfs/dbraw/zinc/55/42/52/175554252.db2.gz NNAVSWTYXXTPFU-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO C[NH2+]C(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286360083 196579144 /nfs/dbraw/zinc/57/91/44/196579144.db2.gz WZPQXQVIYYLDME-UHFFFAOYSA-N 1 0 281.341 2.009 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270592 176103927 /nfs/dbraw/zinc/10/39/27/176103927.db2.gz BCICZIBCUPTLDQ-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000078748205 177381702 /nfs/dbraw/zinc/38/17/02/177381702.db2.gz GUSDSWNZUCPCSR-UHFFFAOYSA-N 1 0 270.304 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CO)c(Cl)c1 ZINC000230143809 270313554 /nfs/dbraw/zinc/31/35/54/270313554.db2.gz KXSFAVNQXMHKHU-GWCFXTLKSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449196400 260292467 /nfs/dbraw/zinc/29/24/67/260292467.db2.gz RZUFGZWBZGUBDN-LBPRGKRZSA-N 1 0 264.329 2.104 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427132211 260553333 /nfs/dbraw/zinc/55/33/33/260553333.db2.gz ANGCNMZMWCDNCV-KGLIPLIRSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245656 263207449 /nfs/dbraw/zinc/20/74/49/263207449.db2.gz HPOIAWUUIMIMIF-SUNKGSAMSA-N 1 0 263.341 2.196 20 5 CEBDRO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000186017341 270247681 /nfs/dbraw/zinc/24/76/81/270247681.db2.gz YAJQGJKORTTZJI-GFCCVEGCSA-N 1 0 299.758 2.205 20 5 CEBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000192830162 270280665 /nfs/dbraw/zinc/28/06/65/270280665.db2.gz PGCDYZXUBLUTPH-UHFFFAOYSA-N 1 0 277.324 2.042 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316498220 270334296 /nfs/dbraw/zinc/33/42/96/270334296.db2.gz WNBNDYFJRPZQMN-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CCC2)c(Cl)c1 ZINC000316654318 270334751 /nfs/dbraw/zinc/33/47/51/270334751.db2.gz WFPMREUVMOAJNG-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423543395 270923579 /nfs/dbraw/zinc/92/35/79/270923579.db2.gz BRZFGPQFBZGUOG-YPMHNXCESA-N 1 0 263.341 2.388 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000425257362 271147713 /nfs/dbraw/zinc/14/77/13/271147713.db2.gz QPHSBUZALPPIFB-UHFFFAOYSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425280011 271152328 /nfs/dbraw/zinc/15/23/28/271152328.db2.gz GPSOAMKHZJFKMH-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426496861 271220794 /nfs/dbraw/zinc/22/07/94/271220794.db2.gz KHOILSIQHBZYSH-AWEZNQCLSA-N 1 0 294.351 2.141 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)F)c(Cl)c1 ZINC000428644234 271284324 /nfs/dbraw/zinc/28/43/24/271284324.db2.gz UNALYCXQDVDDPQ-MRVPVSSYSA-N 1 0 294.685 2.354 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C(C)C)CC1 ZINC000430208819 271363321 /nfs/dbraw/zinc/36/33/21/271363321.db2.gz PLUUAPNJJZJGCI-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000261596257 273501681 /nfs/dbraw/zinc/50/16/81/273501681.db2.gz GXTFEMPZEDWXMN-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000302910941 273805606 /nfs/dbraw/zinc/80/56/06/273805606.db2.gz ZKCCTJBIOKLZMV-AWEZNQCLSA-N 1 0 290.367 2.315 20 5 CEBDRO COCC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000268038989 274030099 /nfs/dbraw/zinc/03/00/99/274030099.db2.gz NFOXZOMJMHHAJF-CYBMUJFWSA-N 1 0 293.367 2.060 20 5 CEBDRO C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178203 274291365 /nfs/dbraw/zinc/29/13/65/274291365.db2.gz OYAPUSOZBVYMFE-QMTHXVAHSA-N 1 0 281.331 2.293 20 5 CEBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000236575651 275535231 /nfs/dbraw/zinc/53/52/31/275535231.db2.gz UGVXBUSSQPYVKD-NSHDSACASA-N 1 0 291.351 2.066 20 5 CEBDRO CCCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000071332066 276000213 /nfs/dbraw/zinc/00/02/13/276000213.db2.gz LRPYMUJEZFBWIA-OAHLLOKOSA-N 1 0 277.368 2.211 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000236870548 276118109 /nfs/dbraw/zinc/11/81/09/276118109.db2.gz MGGXSQUAAMAMAP-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000192764079 276866885 /nfs/dbraw/zinc/86/68/85/276866885.db2.gz RYDCBBSRWRJMTQ-CYBMUJFWSA-N 1 0 290.323 2.485 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226791878 277064398 /nfs/dbraw/zinc/06/43/98/277064398.db2.gz XXYGZUUFAQWAEW-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149433399 278317917 /nfs/dbraw/zinc/31/79/17/278317917.db2.gz UTPMHSAJFJZKRM-BDAKNGLRSA-N 1 0 284.747 2.207 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000295163762 278935596 /nfs/dbraw/zinc/93/55/96/278935596.db2.gz SNRFIKICFWRZDX-LLVKDONJSA-N 1 0 298.339 2.214 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261780778 279282206 /nfs/dbraw/zinc/28/22/06/279282206.db2.gz LCYKMDDLBAZUEE-PSASIEDQSA-N 1 0 297.380 2.164 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000111831519 279731799 /nfs/dbraw/zinc/73/17/99/279731799.db2.gz JVYMWNJKYHCKAU-CMDGGOBGSA-N 1 0 291.351 2.242 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000135229786 280039854 /nfs/dbraw/zinc/03/98/54/280039854.db2.gz LGHMQKKOGMRDDL-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000245471313 280242827 /nfs/dbraw/zinc/24/28/27/280242827.db2.gz XLTNQLHCQJHFST-ZWKOPEQDSA-N 1 0 250.298 2.159 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235315613 280333442 /nfs/dbraw/zinc/33/34/42/280333442.db2.gz SOHPFHAXTKYKEQ-MFKMUULPSA-N 1 0 291.351 2.103 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccccc2)CC1 ZINC000271866841 280394675 /nfs/dbraw/zinc/39/46/75/280394675.db2.gz VHRZWMJEPPPFON-UHFFFAOYSA-N 1 0 299.330 2.035 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000297287874 280770193 /nfs/dbraw/zinc/77/01/93/280770193.db2.gz CSXFISWDZHZQMP-MJVIPROJSA-N 1 0 291.351 2.101 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000422637218 280926112 /nfs/dbraw/zinc/92/61/12/280926112.db2.gz OERBFZSLCNSAQC-UHFFFAOYSA-N 1 0 279.315 2.062 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1 ZINC000297315694 281007980 /nfs/dbraw/zinc/00/79/80/281007980.db2.gz GIWYGWDIUZTDGX-MJVIPROJSA-N 1 0 291.351 2.101 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000088147732 281007983 /nfs/dbraw/zinc/00/79/83/281007983.db2.gz GEKNORZECGPTOO-WCQYABFASA-N 1 0 291.351 2.245 20 5 CEBDRO CC[C@@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466255 281049186 /nfs/dbraw/zinc/04/91/86/281049186.db2.gz NEECBXRMXOKXJY-GHMZBOCLSA-N 1 0 251.330 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000423675703 281079354 /nfs/dbraw/zinc/07/93/54/281079354.db2.gz BKUMDSOJOROBIH-LBPRGKRZSA-N 1 0 293.367 2.459 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426454918 281194376 /nfs/dbraw/zinc/19/43/76/281194376.db2.gz AXRIKRWFKUIDMA-ZWNOBZJWSA-N 1 0 289.335 2.068 20 5 CEBDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668386 281769342 /nfs/dbraw/zinc/76/93/42/281769342.db2.gz LOSDEXYBXZZWIZ-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC2)n1 ZINC000447536002 281833574 /nfs/dbraw/zinc/83/35/74/281833574.db2.gz KCNDOYSBQKZJKO-RYUDHWBXSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000152423318 289088208 /nfs/dbraw/zinc/08/82/08/289088208.db2.gz YSXALAOEWZAABV-NEPJUHHUSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000228849167 290061176 /nfs/dbraw/zinc/06/11/76/290061176.db2.gz ODVRIOAPUAGFEY-TVYUQYBPSA-N 1 0 264.325 2.405 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn(C)cn1 ZINC000459661653 290206355 /nfs/dbraw/zinc/20/63/55/290206355.db2.gz MVYYCFUMEBXVKS-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160950901 297440082 /nfs/dbraw/zinc/44/00/82/297440082.db2.gz XDJNYLDNRYELDJ-NSHDSACASA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000531963019 298126914 /nfs/dbraw/zinc/12/69/14/298126914.db2.gz WAQOTZZCBUBBPS-RYUDHWBXSA-N 1 0 289.339 2.234 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CCOCC1)C2 ZINC000534511931 298175648 /nfs/dbraw/zinc/17/56/48/298175648.db2.gz OCSZQSBWBHGWMB-UHFFFAOYSA-N 1 0 276.336 2.380 20 5 CEBDRO Cc1ccc(C[NH+]2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000536632227 298202720 /nfs/dbraw/zinc/20/27/20/298202720.db2.gz UYGIINQUSPRKMU-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO O=C(CC[NH2+]C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826043 298428604 /nfs/dbraw/zinc/42/86/04/298428604.db2.gz AKIFFSGXSMUOAD-UHFFFAOYSA-N 1 0 277.324 2.456 20 5 CEBDRO COc1ccc(C[N@H+](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000532086459 313339085 /nfs/dbraw/zinc/33/90/85/313339085.db2.gz BABWKMTZQNNUEM-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000571192862 314077374 /nfs/dbraw/zinc/07/73/74/314077374.db2.gz UQJXHIFEWLOYOX-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cncn1C ZINC000573528660 314164127 /nfs/dbraw/zinc/16/41/27/314164127.db2.gz KKKYFLRKZXCNRT-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478769 314281064 /nfs/dbraw/zinc/28/10/64/314281064.db2.gz BFNSOVKDHHJDPG-ZRNPCAPESA-N 1 0 276.336 2.499 20 5 CEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842354 314316815 /nfs/dbraw/zinc/31/68/15/314316815.db2.gz GNYMMAYLSHHUCO-MFKMUULPSA-N 1 0 294.330 2.192 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573533 321842526 /nfs/dbraw/zinc/84/25/26/321842526.db2.gz SZWLDYVCJYJXPP-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000390178865 321893733 /nfs/dbraw/zinc/89/37/33/321893733.db2.gz PXCRLMUZTDOCIS-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000581943356 322433649 /nfs/dbraw/zinc/43/36/49/322433649.db2.gz CFKBLTTWUWGDMQ-IUCAKERBSA-N 1 0 280.328 2.151 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000582002562 322438533 /nfs/dbraw/zinc/43/85/33/322438533.db2.gz SHWFSNVGJBFIAE-CMPLNLGQSA-N 1 0 280.324 2.261 20 5 CEBDRO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000582295839 322461265 /nfs/dbraw/zinc/46/12/65/322461265.db2.gz KWKYDOZNYZIZNQ-UHFFFAOYSA-N 1 0 289.335 2.146 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000582546332 322482431 /nfs/dbraw/zinc/48/24/31/322482431.db2.gz NRIWIQDVQZVNOA-UWVGGRQHSA-N 1 0 294.355 2.459 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509480 329504896 /nfs/dbraw/zinc/50/48/96/329504896.db2.gz TZPQHFMSCWANAU-JIMOISOXSA-N 1 0 250.298 2.423 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297502 519686614 /nfs/dbraw/zinc/68/66/14/519686614.db2.gz MAQVDIQVWIHLEV-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050370377 523661904 /nfs/dbraw/zinc/66/19/04/523661904.db2.gz XJESGZXGRURKNP-CHWSQXEVSA-N 1 0 250.298 2.252 20 5 CEBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000366662207 523974417 /nfs/dbraw/zinc/97/44/17/523974417.db2.gz JYPNJMGOBCRRLW-CYBMUJFWSA-N 1 0 292.335 2.226 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000068320748 524478490 /nfs/dbraw/zinc/47/84/90/524478490.db2.gz BUXIMEPRYYZQSG-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1c(C[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000363378377 525705914 /nfs/dbraw/zinc/70/59/14/525705914.db2.gz VWQGIPVBZMKHTP-UHFFFAOYSA-N 1 0 250.298 2.126 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccccc1 ZINC000062726277 527399305 /nfs/dbraw/zinc/39/93/05/527399305.db2.gz AIEACYGQGSBXFN-INIZCTEOSA-N 1 0 286.331 2.461 20 5 CEBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000173515230 528574355 /nfs/dbraw/zinc/57/43/55/528574355.db2.gz FSAYIGMWVUSDKN-UHFFFAOYSA-N 1 0 280.324 2.467 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313127130 536008862 /nfs/dbraw/zinc/00/88/62/536008862.db2.gz ZHCOMULYNPNRGD-STQMWFEESA-N 1 0 252.314 2.234 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313060101 536898574 /nfs/dbraw/zinc/89/85/74/536898574.db2.gz GLHSRNGSUIKGFG-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049669 575147373 /nfs/dbraw/zinc/14/73/73/575147373.db2.gz UWEPGVRCQHSFEU-GXFFZTMASA-N 1 0 264.325 2.406 20 5 CEBDRO CCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749942109 575240718 /nfs/dbraw/zinc/24/07/18/575240718.db2.gz TUVRIEAINGWIFM-UHFFFAOYSA-N 1 0 277.328 2.337 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCNc2ncccn2)cs1 ZINC000751507152 575290765 /nfs/dbraw/zinc/29/07/65/575290765.db2.gz VDNUTRFFGWFEQS-UHFFFAOYSA-N 1 0 293.352 2.038 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC(C)C)c1[N+](=O)[O-] ZINC000892425973 625365290 /nfs/dbraw/zinc/36/52/90/625365290.db2.gz QLARBFNDTYLAEE-UHFFFAOYSA-N 1 0 254.286 2.055 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000235448688 625567560 /nfs/dbraw/zinc/56/75/60/625567560.db2.gz DWWQSYYWRGZRDP-TVQRCGJNSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000049962908 623276110 /nfs/dbraw/zinc/27/61/10/623276110.db2.gz AZNXFWYUVYIXSL-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261783484 623460531 /nfs/dbraw/zinc/46/05/31/623460531.db2.gz UDWOUTXDKYUWOG-GFCCVEGCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+](C)C ZINC000891489074 623741516 /nfs/dbraw/zinc/74/15/16/623741516.db2.gz DDYFGWUQCIKBRI-SECBINFHSA-N 1 0 295.368 2.105 20 5 CEBDRO COc1c(O)ccc(C[NH+]2C3CCC2CC3)c1[N+](=O)[O-] ZINC000891555996 623782918 /nfs/dbraw/zinc/78/29/18/623782918.db2.gz SUSHPDZYYFNKLO-UHFFFAOYSA-N 1 0 278.308 2.436 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1OC ZINC000892032586 624263131 /nfs/dbraw/zinc/26/31/31/624263131.db2.gz OIFKLRBUVGFGOW-JTQLQIEISA-N 1 0 282.344 2.141 20 5 CEBDRO C[C@@H]1CSCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934305272 624400330 /nfs/dbraw/zinc/40/03/30/624400330.db2.gz XOQBPTHKHZJMCJ-RISCZKNCSA-N 1 0 296.392 2.456 20 5 CEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000829320786 624853362 /nfs/dbraw/zinc/85/33/62/624853362.db2.gz UUHZVIXCGMNYCT-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076498 625020538 /nfs/dbraw/zinc/02/05/38/625020538.db2.gz DRHOTAXUASTTSD-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1nn(CN(C)[C@@H](C)C2(C)CC2)c(C)c1[N+](=O)[O-] ZINC000176833949 625090100 /nfs/dbraw/zinc/09/01/00/625090100.db2.gz ACVIVKPGLBMOTF-NSHDSACASA-N 1 0 266.345 2.486 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000251924447 625091277 /nfs/dbraw/zinc/09/12/77/625091277.db2.gz YFRQGNLJVVXKSS-NOZJJQNGSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000235868063 625782229 /nfs/dbraw/zinc/78/22/29/625782229.db2.gz SJGSZCSYVWHXTH-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1CCOC1=O ZINC000902067731 634462258 /nfs/dbraw/zinc/46/22/58/634462258.db2.gz LQJHROFYHPFZCU-UHFFFAOYSA-N 1 0 293.323 2.215 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000310941489 627325550 /nfs/dbraw/zinc/32/55/50/627325550.db2.gz OJPGWDQVKWWZEZ-ICCXJUOJSA-N 1 0 250.298 2.016 20 5 CEBDRO CO[C@H](C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000311191192 627388190 /nfs/dbraw/zinc/38/81/90/627388190.db2.gz CVGZOPBPINEDQN-SNVBAGLBSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H](C[NH+](C)C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168837205 627687519 /nfs/dbraw/zinc/68/75/19/627687519.db2.gz BYSOCRABJPXFNQ-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nccn1C1CC1 ZINC000893070852 627977733 /nfs/dbraw/zinc/97/77/33/627977733.db2.gz YBXUDEBNQLWKLZ-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000053204646 628253591 /nfs/dbraw/zinc/25/35/91/628253591.db2.gz NQOPKKKUUHNABN-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000925643085 628340792 /nfs/dbraw/zinc/34/07/92/628340792.db2.gz VOESMAYCVGOWAR-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931045940 628346056 /nfs/dbraw/zinc/34/60/56/628346056.db2.gz ZMOAXZWZZTZCIE-XPTSAGLGSA-N 1 0 299.321 2.397 20 5 CEBDRO NOCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000902420952 634645787 /nfs/dbraw/zinc/64/57/87/634645787.db2.gz YZVRNFINGFEMNI-TZMCWYRMSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000313563563 628617985 /nfs/dbraw/zinc/61/79/85/628617985.db2.gz QHYHZIIEFDZNON-HZMBPMFUSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902447648 634670597 /nfs/dbraw/zinc/67/05/97/634670597.db2.gz UWDAKUKNCLZFHF-GXFFZTMASA-N 1 0 263.341 2.243 20 5 CEBDRO [NH3+]C1(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000094291897 628809829 /nfs/dbraw/zinc/80/98/29/628809829.db2.gz NMFGLIVLZCANCL-UHFFFAOYSA-N 1 0 274.280 2.069 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633637 629252118 /nfs/dbraw/zinc/25/21/18/629252118.db2.gz WRHGUBPTFBHBFM-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO C[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000262028183 629450515 /nfs/dbraw/zinc/45/05/15/629450515.db2.gz WXDUHLAUQDFNGI-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO CO[C@H](C)C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000795749282 629665211 /nfs/dbraw/zinc/66/52/11/629665211.db2.gz GIJFFDNAAUBKGR-SNVBAGLBSA-N 1 0 292.339 2.177 20 5 CEBDRO C[C@H]1[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928457053 629721613 /nfs/dbraw/zinc/72/16/13/629721613.db2.gz OUIDKAUUKQPXBN-GZMMTYOYSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000894997467 629790223 /nfs/dbraw/zinc/79/02/23/629790223.db2.gz QDUDEPCNNIMNGX-UHFFFAOYSA-N 1 0 299.334 2.102 20 5 CEBDRO CCC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059307 629832811 /nfs/dbraw/zinc/83/28/11/629832811.db2.gz SLWHEZXKKLEHFI-JTQLQIEISA-N 1 0 284.747 2.222 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC(C)=NO1 ZINC000895312583 630104219 /nfs/dbraw/zinc/10/42/19/630104219.db2.gz YVUOLCPOIBCEKQ-CYBMUJFWSA-N 1 0 293.323 2.248 20 5 CEBDRO C[C@@H]1[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895740678 630320605 /nfs/dbraw/zinc/32/06/05/630320605.db2.gz PGTNDRZTUOFKCC-BXKDBHETSA-N 1 0 287.323 2.043 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000895735304 630325863 /nfs/dbraw/zinc/32/58/63/630325863.db2.gz CXQPFYHDQXAODS-TVQRCGJNSA-N 1 0 277.324 2.302 20 5 CEBDRO CC(C)Oc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736535 630326742 /nfs/dbraw/zinc/32/67/42/630326742.db2.gz KLNSZKIOUBXIJX-GHMZBOCLSA-N 1 0 294.355 2.282 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000895738752 630328119 /nfs/dbraw/zinc/32/81/19/630328119.db2.gz ZIQBEZOMFUAFLT-TVQRCGJNSA-N 1 0 277.324 2.302 20 5 CEBDRO O=[N+]([O-])c1sccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896517755 630587304 /nfs/dbraw/zinc/58/73/04/630587304.db2.gz JCUHFTMTQPKMGH-LLVKDONJSA-N 1 0 297.380 2.322 20 5 CEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000896650939 630625062 /nfs/dbraw/zinc/62/50/62/630625062.db2.gz NRAAOJGPMAIAAD-CYBMUJFWSA-N 1 0 278.356 2.156 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897249464 631016710 /nfs/dbraw/zinc/01/67/10/631016710.db2.gz VTFCBMWJTRXPQR-UHFFFAOYSA-N 1 0 295.387 2.035 20 5 CEBDRO C[C@H]1COC[C@H](C)C1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155311 631123903 /nfs/dbraw/zinc/12/39/03/631123903.db2.gz VBPKLMGFOFXFKT-RYUDHWBXSA-N 1 0 278.352 2.398 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000094341734 631151351 /nfs/dbraw/zinc/15/13/51/631151351.db2.gz YFRQGNLJVVXKSS-RNCFNFMXSA-N 1 0 283.759 2.417 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064945 631245479 /nfs/dbraw/zinc/24/54/79/631245479.db2.gz PQUHAOUSZBZSSM-DTWKUNHWSA-N 1 0 256.277 2.419 20 5 CEBDRO COc1ccc(CNCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054112864 631674912 /nfs/dbraw/zinc/67/49/12/631674912.db2.gz NTMMRRUBZIDBMO-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897851063 631945523 /nfs/dbraw/zinc/94/55/23/631945523.db2.gz OFBFALGOWNAWKL-BNYQLITPSA-N 1 0 274.320 2.111 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898195857 632110211 /nfs/dbraw/zinc/11/02/11/632110211.db2.gz ZOHXCRQFWKHYCV-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO [NH3+]CCN(Cc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000809734892 632134116 /nfs/dbraw/zinc/13/41/16/632134116.db2.gz NHEHMGSKIGACSK-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000898377660 632184720 /nfs/dbraw/zinc/18/47/20/632184720.db2.gz WPZJBCSVKUMTJK-ZIAGYGMSSA-N 1 0 276.336 2.418 20 5 CEBDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084909 632452069 /nfs/dbraw/zinc/45/20/69/632452069.db2.gz OGKKJMNGHXUXNY-SMDDNHRTSA-N 1 0 280.324 2.051 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000811848416 632456151 /nfs/dbraw/zinc/45/61/51/632456151.db2.gz DBFYXXONIDMEMN-JTQLQIEISA-N 1 0 266.345 2.318 20 5 CEBDRO Cc1ccc(-c2ccc(C3(O)C[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC000899325662 632789973 /nfs/dbraw/zinc/78/99/73/632789973.db2.gz ZBMUVZSBIVCLIG-UHFFFAOYSA-N 1 0 284.315 2.361 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582688 633034418 /nfs/dbraw/zinc/03/44/18/633034418.db2.gz MXJLDDUPAXFHMX-GMXVVIOVSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1csc2ccccc12 ZINC000899869802 633064682 /nfs/dbraw/zinc/06/46/82/633064682.db2.gz AIYWXBCPWBFCJK-UHFFFAOYSA-N 1 0 250.323 2.310 20 5 CEBDRO Cc1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000817131552 633590723 /nfs/dbraw/zinc/59/07/23/633590723.db2.gz DESVPTDGYVKZSM-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000817131528 633590783 /nfs/dbraw/zinc/59/07/83/633590783.db2.gz CCWCXFAOYLYLCW-CQSZACIVSA-N 1 0 293.367 2.272 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906878 633766526 /nfs/dbraw/zinc/76/65/26/633766526.db2.gz FZDCYHRFDOQCQY-DTWKUNHWSA-N 1 0 271.748 2.464 20 5 CEBDRO CCCC[C@@H](COC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087444 634063676 /nfs/dbraw/zinc/06/36/76/634063676.db2.gz HYJZEIZPYMPEJF-DZGCQCFKSA-N 1 0 296.367 2.423 20 5 CEBDRO CSCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088168 634065389 /nfs/dbraw/zinc/06/53/89/634065389.db2.gz SBTBREIAIJSYQI-ZWNOBZJWSA-N 1 0 284.381 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000819130634 634076655 /nfs/dbraw/zinc/07/66/55/634076655.db2.gz DBVWCVUOFSOLAJ-AAEUAGOBSA-N 1 0 282.365 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(C3CC3)CC2)c1 ZINC000819187762 634097980 /nfs/dbraw/zinc/09/79/80/634097980.db2.gz SISWCDKROGBLEK-AWEZNQCLSA-N 1 0 276.336 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000819270777 634122812 /nfs/dbraw/zinc/12/28/12/634122812.db2.gz IIBKUBYMHCVIAI-XJFOESAGSA-N 1 0 262.309 2.016 20 5 CEBDRO CCSCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819291013 634130192 /nfs/dbraw/zinc/13/01/92/634130192.db2.gz POAVADWUOSZKDZ-CYBMUJFWSA-N 1 0 284.381 2.361 20 5 CEBDRO CCC(CC)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819328695 634142924 /nfs/dbraw/zinc/14/29/24/634142924.db2.gz IQHMKQKALXZFGT-AWEZNQCLSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819361789 634155771 /nfs/dbraw/zinc/15/57/71/634155771.db2.gz SCYOLXIGAAMFAU-VHDGCEQUSA-N 1 0 294.351 2.174 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000903058878 634949880 /nfs/dbraw/zinc/94/98/80/634949880.db2.gz VDXKISILMIGREZ-GFCCVEGCSA-N 1 0 293.367 2.350 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903097888 634967858 /nfs/dbraw/zinc/96/78/58/634967858.db2.gz WFCJHVFHOHEKRM-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)C2CC2)cc([N+](=O)[O-])c1 ZINC000903120284 634980573 /nfs/dbraw/zinc/98/05/73/634980573.db2.gz NCPIETDWHQTXPG-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903436129 635116940 /nfs/dbraw/zinc/11/69/40/635116940.db2.gz HBLMGYZCCSXQCT-WFBYXXMGSA-N 1 0 291.351 2.253 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903866666 635300224 /nfs/dbraw/zinc/30/02/24/635300224.db2.gz WPWIYBYJKVUOQN-AWEZNQCLSA-N 1 0 279.315 2.062 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903854120 635304759 /nfs/dbraw/zinc/30/47/59/635304759.db2.gz IBRMAFGNAIYGMT-RISCZKNCSA-N 1 0 279.315 2.047 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903854121 635305122 /nfs/dbraw/zinc/30/51/22/635305122.db2.gz IBRMAFGNAIYGMT-SMDDNHRTSA-N 1 0 279.315 2.047 20 5 CEBDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905126053 635835480 /nfs/dbraw/zinc/83/54/80/635835480.db2.gz CQNBPFMZPHIZEY-JOYOIKCWSA-N 1 0 272.732 2.282 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccccc1Br ZINC000905247775 636172137 /nfs/dbraw/zinc/17/21/37/636172137.db2.gz LSMQYELFBDMVGC-GXSJLCMTSA-N 1 0 285.141 2.171 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905423656 636274808 /nfs/dbraw/zinc/27/48/08/636274808.db2.gz QJALLCDLOKZVFF-DHCBQETCSA-N 1 0 292.335 2.056 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000827695936 636393584 /nfs/dbraw/zinc/39/35/84/636393584.db2.gz FMUCVEMKLGAVDW-JTQLQIEISA-N 1 0 289.339 2.367 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876531713 650308062 /nfs/dbraw/zinc/30/80/62/650308062.db2.gz NAUCHDFVJCRKSD-JTQLQIEISA-N 1 0 287.319 2.167 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000150238857 638055060 /nfs/dbraw/zinc/05/50/60/638055060.db2.gz LWCPJNVWAXQTKB-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182931 638599768 /nfs/dbraw/zinc/59/97/68/638599768.db2.gz LQDXTXMXCPGTGR-GXFFZTMASA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCCC[NH3+] ZINC000876855639 650460940 /nfs/dbraw/zinc/46/09/40/650460940.db2.gz XYNNJCXENPXILD-LLVKDONJSA-N 1 0 293.367 2.459 20 5 CEBDRO CCC1(CC)[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000165029504 639411806 /nfs/dbraw/zinc/41/18/06/639411806.db2.gz NGFOYKRWGXWXBC-OLZOCXBDSA-N 1 0 296.371 2.274 20 5 CEBDRO C[C@H](O)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000225792635 639512811 /nfs/dbraw/zinc/51/28/11/639512811.db2.gz CFTGEQZVCCODJU-JTQLQIEISA-N 1 0 282.315 2.327 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000168615102 639573437 /nfs/dbraw/zinc/57/34/37/639573437.db2.gz IAPSEWRGQSHQMB-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000227697095 639602399 /nfs/dbraw/zinc/60/23/99/639602399.db2.gz QSXLFDVVHJJIQC-CABZTGNLSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC000841027190 639620561 /nfs/dbraw/zinc/62/05/61/639620561.db2.gz ZFQZOKFOPZXNBS-MFKMUULPSA-N 1 0 281.743 2.042 20 5 CEBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228372558 639632683 /nfs/dbraw/zinc/63/26/83/639632683.db2.gz HGQMNHCTRMFXLW-GWCFXTLKSA-N 1 0 284.381 2.105 20 5 CEBDRO [NH3+][C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841050100 639632998 /nfs/dbraw/zinc/63/29/98/639632998.db2.gz PDHGUJMSRPYZAX-LLVKDONJSA-N 1 0 269.732 2.075 20 5 CEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[NH2+]C1 ZINC000841233518 639715117 /nfs/dbraw/zinc/71/51/17/639715117.db2.gz WWDCXOLSJOVBAL-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C[Si](C)(C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358639 639760624 /nfs/dbraw/zinc/76/06/24/639760624.db2.gz ZDEYNPXGOVNPHD-NSHDSACASA-N 1 0 294.431 2.353 20 5 CEBDRO CC[C@]1(C)CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173425723 639854039 /nfs/dbraw/zinc/85/40/39/639854039.db2.gz UZOIAKYNAKWUSP-GFCCVEGCSA-N 1 0 252.318 2.261 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476428 640076979 /nfs/dbraw/zinc/07/69/79/640076979.db2.gz OEAQOJKEXULVDC-ISTVAULSSA-N 1 0 281.331 2.210 20 5 CEBDRO C[NH2+]C[C@@H](C)c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000842582042 640108631 /nfs/dbraw/zinc/10/86/31/640108631.db2.gz GQOUJJOBNIKLJG-SNVBAGLBSA-N 1 0 290.323 2.086 20 5 CEBDRO Cc1ccc(-c2noc(CC(C)(C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000843179177 640330221 /nfs/dbraw/zinc/33/02/21/640330221.db2.gz ZCJZMRFQHXQCFA-UHFFFAOYSA-N 1 0 276.296 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)s1 ZINC000843219150 640351009 /nfs/dbraw/zinc/35/10/09/640351009.db2.gz XUJDBKIAVYOMFY-QMMMGPOBSA-N 1 0 294.336 2.248 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1cc(F)ccc1[N+](=O)[O-] ZINC000843355737 640401240 /nfs/dbraw/zinc/40/12/40/640401240.db2.gz IPWSRQFNEDSKNW-ZDUSSCGKSA-N 1 0 269.320 2.197 20 5 CEBDRO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844447436 640729856 /nfs/dbraw/zinc/72/98/56/640729856.db2.gz OHTIBNGKGAQKPT-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO CCC(CC)N(Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000918180066 640947773 /nfs/dbraw/zinc/94/77/73/640947773.db2.gz XAPUQHUZJJOEQA-UHFFFAOYSA-N 1 0 252.318 2.402 20 5 CEBDRO C[C@H](CC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877383745 650695828 /nfs/dbraw/zinc/69/58/28/650695828.db2.gz RPZLSYJSKAUJTL-AFPNSQJFSA-N 1 0 292.261 2.425 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000877442124 650723439 /nfs/dbraw/zinc/72/34/39/650723439.db2.gz YPUXEDVHFUFUIK-UHFFFAOYSA-N 1 0 297.330 2.325 20 5 CEBDRO Cc1ccc(C(=O)N(C)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000877442044 650723597 /nfs/dbraw/zinc/72/35/97/650723597.db2.gz UVSUOVYQJQGNJV-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO CON(C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000850477217 642724640 /nfs/dbraw/zinc/72/46/40/642724640.db2.gz FLSRSMUGGHIGHP-AWEZNQCLSA-N 1 0 293.367 2.400 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(C1)CCOC2 ZINC000877554696 650785569 /nfs/dbraw/zinc/78/55/69/650785569.db2.gz NLZXTSGSZFPEHP-UHFFFAOYSA-N 1 0 276.336 2.434 20 5 CEBDRO CCC[C@@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922821369 643283819 /nfs/dbraw/zinc/28/38/19/643283819.db2.gz AUOIHADLRLRAGR-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCc3ccco3)C2)c1 ZINC000877636821 650827869 /nfs/dbraw/zinc/82/78/69/650827869.db2.gz JQDWSFJRGIAMLW-UHFFFAOYSA-N 1 0 290.323 2.310 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@@H]3CC3(F)F)C2)c1 ZINC000877648470 650832186 /nfs/dbraw/zinc/83/21/86/650832186.db2.gz ZBOMTYHXKUIVBN-XNWIYYODSA-N 1 0 286.282 2.130 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000228559579 643376976 /nfs/dbraw/zinc/37/69/76/643376976.db2.gz FBKROQRBIGSIMM-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC34CC4)C2)c1 ZINC000877663370 650840069 /nfs/dbraw/zinc/84/00/69/650840069.db2.gz AUDJZXYFNVDBSK-XIVSLSHWSA-N 1 0 276.340 2.417 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852669976 643506185 /nfs/dbraw/zinc/50/61/85/643506185.db2.gz UOEVHLLSZGQSSJ-CMPLNLGQSA-N 1 0 280.299 2.202 20 5 CEBDRO [NH3+]CC12CC(C1)CN2c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000853016116 643620667 /nfs/dbraw/zinc/62/06/67/643620667.db2.gz OGDUUQFAYAOTSY-UHFFFAOYSA-N 1 0 285.706 2.315 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2=CCCC2)c1 ZINC000853115150 643663809 /nfs/dbraw/zinc/66/38/09/643663809.db2.gz FICSQJZYZMYHFQ-CQSZACIVSA-N 1 0 262.309 2.328 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853125158 643667921 /nfs/dbraw/zinc/66/79/21/643667921.db2.gz MNOQOKXAGQLLTH-JSGCOSHPSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242759 643720286 /nfs/dbraw/zinc/72/02/86/643720286.db2.gz WSYMAMOZGTZHCH-MNOVXSKESA-N 1 0 297.380 2.240 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[C@@H](C)[NH+](C)C)c1 ZINC000853798772 643905007 /nfs/dbraw/zinc/90/50/07/643905007.db2.gz KUMDIWXAGRANCO-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000877744826 650891937 /nfs/dbraw/zinc/89/19/37/650891937.db2.gz YFBNZKSLPWQCEI-VXGBXAGGSA-N 1 0 281.381 2.182 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000855415638 644337412 /nfs/dbraw/zinc/33/74/12/644337412.db2.gz LDDHYKOUHDITPU-SNVBAGLBSA-N 1 0 297.330 2.112 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877834978 650926988 /nfs/dbraw/zinc/92/69/88/650926988.db2.gz CKQDCUPIEAURKN-JTQLQIEISA-N 1 0 270.354 2.249 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672377 644780398 /nfs/dbraw/zinc/78/03/98/644780398.db2.gz FVKQADUSYLENOP-CMPLNLGQSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)cc1Cl ZINC000761505105 645292686 /nfs/dbraw/zinc/29/26/86/645292686.db2.gz FPVLPNLAOXUKOH-UHFFFAOYSA-N 1 0 284.743 2.453 20 5 CEBDRO CNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761526379 645293583 /nfs/dbraw/zinc/29/35/83/645293583.db2.gz ACYRLOARHJGOQL-LBPRGKRZSA-N 1 0 299.758 2.108 20 5 CEBDRO C[C@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863651081 646777157 /nfs/dbraw/zinc/77/71/57/646777157.db2.gz AOAFYUROZAKVSS-QMMMGPOBSA-N 1 0 257.721 2.027 20 5 CEBDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775181893 646928647 /nfs/dbraw/zinc/92/86/47/646928647.db2.gz ZSQHLXXKMLWIEQ-BRNRAETOSA-N 1 0 278.308 2.365 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000775671768 646978985 /nfs/dbraw/zinc/97/89/85/646978985.db2.gz AHSWLKFJSIPDOJ-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO COCC[N@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579724 647073463 /nfs/dbraw/zinc/07/34/63/647073463.db2.gz OZEBBDFYRGNAQA-HNNXBMFYSA-N 1 0 296.367 2.233 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593151 647077006 /nfs/dbraw/zinc/07/70/06/647077006.db2.gz QEZJNHZPIQEVCX-ZWNOBZJWSA-N 1 0 252.314 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000776599203 647077645 /nfs/dbraw/zinc/07/76/45/647077645.db2.gz YBWZTGWZOZBVPH-ZFWWWQNUSA-N 1 0 276.336 2.360 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865948834 647550124 /nfs/dbraw/zinc/55/01/24/647550124.db2.gz IXVFQBLFCDWFIX-LLVKDONJSA-N 1 0 297.330 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000865998291 647566997 /nfs/dbraw/zinc/56/69/97/647566997.db2.gz BMXXHHXHUQMHEE-LBPRGKRZSA-N 1 0 293.367 2.160 20 5 CEBDRO COc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204809 647668675 /nfs/dbraw/zinc/66/86/75/647668675.db2.gz GGXUGSWIJXIDMA-YPMHNXCESA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000866259951 647700671 /nfs/dbraw/zinc/70/06/71/647700671.db2.gz RCGNRVQYUSNYLZ-WDEREUQCSA-N 1 0 283.347 2.205 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CO ZINC000866308094 647729191 /nfs/dbraw/zinc/72/91/91/647729191.db2.gz PYLZLZGSYLDMFL-SNVBAGLBSA-N 1 0 284.331 2.273 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1Cl ZINC000783572002 647731015 /nfs/dbraw/zinc/73/10/15/647731015.db2.gz MAEFGAZSXKJDMT-WCQYABFASA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000866368481 647759765 /nfs/dbraw/zinc/75/97/65/647759765.db2.gz CPABTXYRUWKMKM-MEBBXXQBSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CCC1 ZINC000866385859 647767824 /nfs/dbraw/zinc/76/78/24/647767824.db2.gz RHUFPOQYXDNSDN-YGRLFVJLSA-N 1 0 296.342 2.416 20 5 CEBDRO CCCCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942129 647995218 /nfs/dbraw/zinc/99/52/18/647995218.db2.gz MCXJRLSMISZUDK-CQSZACIVSA-N 1 0 279.340 2.075 20 5 CEBDRO CCOC1CC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805820431 648051042 /nfs/dbraw/zinc/05/10/42/648051042.db2.gz NBEKBLKETMVKFJ-NRXISQOPSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508466 648196049 /nfs/dbraw/zinc/19/60/49/648196049.db2.gz UZENLDJAMBYSAH-NOZJJQNGSA-N 1 0 291.307 2.154 20 5 CEBDRO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000791051424 648475936 /nfs/dbraw/zinc/47/59/36/648475936.db2.gz CUBHIQDYPUGXOJ-UHFFFAOYSA-N 1 0 278.352 2.192 20 5 CEBDRO C[N@H+](CCc1ccc(Br)cc1)CC[N+](=O)[O-] ZINC000791051561 648475969 /nfs/dbraw/zinc/47/59/69/648475969.db2.gz FBYQZGPPRRKASU-UHFFFAOYSA-N 1 0 287.157 2.200 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000870962042 648963290 /nfs/dbraw/zinc/96/32/90/648963290.db2.gz KPSPGKCTFRVMKO-CQSZACIVSA-N 1 0 279.340 2.037 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)COC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034751 649248493 /nfs/dbraw/zinc/24/84/93/649248493.db2.gz ISMQSZSUZRCOMT-SECBINFHSA-N 1 0 268.288 2.421 20 5 CEBDRO C[C@H]([NH2+]CCc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062777 649258562 /nfs/dbraw/zinc/25/85/62/649258562.db2.gz POSYABJSWSCJNV-JTQLQIEISA-N 1 0 292.314 2.361 20 5 CEBDRO Cc1nonc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872135470 649288644 /nfs/dbraw/zinc/28/86/44/649288644.db2.gz HKWVPQQIEGMFLF-QMMMGPOBSA-N 1 0 294.286 2.146 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000872223870 649321405 /nfs/dbraw/zinc/32/14/05/649321405.db2.gz OGXAWMNPJYZURF-CQSZACIVSA-N 1 0 276.292 2.319 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000872266177 649333798 /nfs/dbraw/zinc/33/37/98/649333798.db2.gz BFNJTNSERGSKFG-PHIMTYICSA-N 1 0 282.727 2.326 20 5 CEBDRO Cc1sc(C(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872293995 649348866 /nfs/dbraw/zinc/34/88/66/649348866.db2.gz PNEBIKSOFVZADH-UHFFFAOYSA-N 1 0 297.380 2.179 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1 ZINC000872779013 649486077 /nfs/dbraw/zinc/48/60/77/649486077.db2.gz CIGTYHKUXXKHJE-UONOGXRCSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1c(C[NH2+]C[C@@](C)(O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873062432 649547765 /nfs/dbraw/zinc/54/77/65/649547765.db2.gz QUNIAPSDDBSITN-OAHLLOKOSA-N 1 0 290.319 2.494 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000873109547 649560035 /nfs/dbraw/zinc/56/00/35/649560035.db2.gz XIZOPDLHYLNMOT-KBPBESRZSA-N 1 0 278.352 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000873121508 649562980 /nfs/dbraw/zinc/56/29/80/649562980.db2.gz IUNLEHPUDOFEHA-HXUWFJFHSA-N 1 0 296.392 2.212 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000873161288 649575615 /nfs/dbraw/zinc/57/56/15/649575615.db2.gz NPUZLNQVYKXUNU-SNVBAGLBSA-N 1 0 296.298 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000873813995 649723697 /nfs/dbraw/zinc/72/36/97/649723697.db2.gz BOMXXMYIUHUAHK-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879581081 651326852 /nfs/dbraw/zinc/32/68/52/651326852.db2.gz WGBKNYRZZSCKSF-JSGCOSHPSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccc([N+](=O)[O-])c1 ZINC000880129929 651387287 /nfs/dbraw/zinc/38/72/87/651387287.db2.gz CJINFLPTRAXHAZ-CABCVRRESA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880132297 651387700 /nfs/dbraw/zinc/38/77/00/651387700.db2.gz OADPYIZTLYMRLZ-LSDHHAIUSA-N 1 0 293.342 2.402 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880136588 651389820 /nfs/dbraw/zinc/38/98/20/651389820.db2.gz OQXVMDMHPXOCAC-LSDHHAIUSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(F)CC2)c1 ZINC000880240134 651407103 /nfs/dbraw/zinc/40/71/03/651407103.db2.gz MNZSPZTZJBTQPO-ZDUSSCGKSA-N 1 0 268.288 2.062 20 5 CEBDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881213249 651638562 /nfs/dbraw/zinc/63/85/62/651638562.db2.gz YSNFAKVBENNTMN-AWEZNQCLSA-N 1 0 289.339 2.127 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000881815075 651891327 /nfs/dbraw/zinc/89/13/27/651891327.db2.gz AEQXNLONXXHZNJ-NXEZZACHSA-N 1 0 280.303 2.168 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881908226 651910905 /nfs/dbraw/zinc/91/09/05/651910905.db2.gz KKNYWNYBUVFUAQ-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO CC[C@@H](CSC)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132646163 652543032 /nfs/dbraw/zinc/54/30/32/652543032.db2.gz OBBBORSKDMPFDZ-WCQYABFASA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884361033 652813825 /nfs/dbraw/zinc/81/38/25/652813825.db2.gz KPMKHIKOAZSZKU-STQMWFEESA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCS2)cc1 ZINC000134758646 652873502 /nfs/dbraw/zinc/87/35/02/652873502.db2.gz JDJOVCRVUGZEJX-OLZOCXBDSA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164629722 719154198 /nfs/dbraw/zinc/15/41/98/719154198.db2.gz CNQMOMVTCRJYPV-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165040266 721889436 /nfs/dbraw/zinc/88/94/36/721889436.db2.gz UGQDTVXQWLGACS-SNVBAGLBSA-N 1 0 298.774 2.482 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001165041111 721930792 /nfs/dbraw/zinc/93/07/92/721930792.db2.gz YKBRGJFLGOQHGI-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO CC(=O)Oc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227566622 805951744 /nfs/dbraw/zinc/95/17/44/805951744.db2.gz JVNVTOUYCICYPE-NSHDSACASA-N 1 0 252.334 2.085 20 5 CEBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001228049337 806117484 /nfs/dbraw/zinc/11/74/84/806117484.db2.gz ILCAVZJPFXMSJD-LBPRGKRZSA-N 1 0 296.387 2.345 20 5 CEBDRO O=[N+]([O-])c1cccc2c(N[C@H]3C[NH2+]CC[C@H]3F)ccnc21 ZINC001168231830 806428352 /nfs/dbraw/zinc/42/83/52/806428352.db2.gz RVVGZTBHVXNMBL-PWSUYJOCSA-N 1 0 290.298 2.255 20 5 CEBDRO CCCCOC[C@@H](C)OC[C@@H](C)OCC[N+](C)(C)C ZINC001224772832 806948605 /nfs/dbraw/zinc/94/86/05/806948605.db2.gz BVVRROQTEMMBDC-HUUCEWRRSA-N 1 0 276.441 2.320 20 5 CEBDRO [NH3+]Cc1cccn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001167593337 803174169 /nfs/dbraw/zinc/17/41/69/803174169.db2.gz RNSMAHNYFGLHJX-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001267458276 803474692 /nfs/dbraw/zinc/47/46/92/803474692.db2.gz LVPYBFOMXRDUNA-UHFFFAOYSA-N 1 0 299.396 2.250 20 5 CEBDRO Cc1ccc(O[C@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217977185 803522729 /nfs/dbraw/zinc/52/27/29/803522729.db2.gz MPURQNLEBWOYOW-YPMHNXCESA-N 1 0 268.288 2.372 20 5 CEBDRO C[NH2+]CCNc1cc(C)c(Br)cc1[N+](=O)[O-] ZINC001167726418 803682313 /nfs/dbraw/zinc/68/23/13/803682313.db2.gz XHCYZRQAWRJNRG-UHFFFAOYSA-N 1 0 288.145 2.297 20 5 CEBDRO CCOc1cc(NC(=N)SCC[NH3+])ccc1[N+](=O)[O-] ZINC001167916352 804739644 /nfs/dbraw/zinc/73/96/44/804739644.db2.gz RZSIFAOESTYLNC-UHFFFAOYSA-N 1 0 284.341 2.032 20 5 CEBDRO CC(C)[C@@H](O)CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306147 815087240 /nfs/dbraw/zinc/08/72/40/815087240.db2.gz MZFKDUPAKQNZKE-AWEZNQCLSA-N 1 0 264.325 2.317 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122391335 807676621 /nfs/dbraw/zinc/67/66/21/807676621.db2.gz JKPIGHZVGFLBCH-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716858966 815147328 /nfs/dbraw/zinc/14/73/28/815147328.db2.gz ASJUSFNQEWPMIA-SCZZXKLOSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716814597 815150248 /nfs/dbraw/zinc/15/02/48/815150248.db2.gz MQMMLCWKZDDFCA-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000716906984 815159030 /nfs/dbraw/zinc/15/90/30/815159030.db2.gz FMOJVJOGSGAISA-CMPLNLGQSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CO ZINC000700415268 809309480 /nfs/dbraw/zinc/30/94/80/809309480.db2.gz NBAAQBIRIPHYDW-JQWIXIFHSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000700625906 809334001 /nfs/dbraw/zinc/33/40/01/809334001.db2.gz KPDBIDKFABHIEG-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000701039536 809382486 /nfs/dbraw/zinc/38/24/86/809382486.db2.gz HZWGCHWXGBBKRM-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO Nc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC001120863167 815287077 /nfs/dbraw/zinc/28/70/77/815287077.db2.gz XGLSNKHKIOAUNG-VXGBXAGGSA-N 1 0 291.355 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000701937535 809476588 /nfs/dbraw/zinc/47/65/88/809476588.db2.gz YXHJUMUBLRCXBE-ZYHUDNBSSA-N 1 0 286.278 2.263 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063574 809491417 /nfs/dbraw/zinc/49/14/17/809491417.db2.gz BLHHXXQIGRMLJJ-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2=CCCC2)cc1 ZINC000705397935 809780088 /nfs/dbraw/zinc/78/00/88/809780088.db2.gz DHVMRGUCVAPUDR-AWEZNQCLSA-N 1 0 262.309 2.328 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511431 815420026 /nfs/dbraw/zinc/42/00/26/815420026.db2.gz PPFIQIVKMIEAGQ-CHWSQXEVSA-N 1 0 277.324 2.230 20 5 CEBDRO CC(C)N(CCC[NH3+])c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156118124 811195123 /nfs/dbraw/zinc/19/51/23/811195123.db2.gz SMVMESSJKIPLNR-UHFFFAOYSA-N 1 0 277.328 2.035 20 5 CEBDRO CC[C@@]1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC001122598946 815429390 /nfs/dbraw/zinc/42/93/90/815429390.db2.gz DXAKSYIUDMYODC-AWEZNQCLSA-N 1 0 277.324 2.374 20 5 CEBDRO CCCCOCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979529 811308177 /nfs/dbraw/zinc/30/81/77/811308177.db2.gz ZBCYSNJPHUBKKS-CHWSQXEVSA-N 1 0 258.362 2.228 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(N)c1 ZINC001168984677 811310916 /nfs/dbraw/zinc/31/09/16/811310916.db2.gz PUOYGMWFVXRZBE-WDMOLILDSA-N 1 0 263.341 2.365 20 5 CEBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168984443 811311567 /nfs/dbraw/zinc/31/15/67/811311567.db2.gz OAJYTMLSVPFQFW-HIFRSBDPSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)C1 ZINC001168984667 811311752 /nfs/dbraw/zinc/31/17/52/811311752.db2.gz PQJHSZIPXJQRNT-IRUJWGPZSA-N 1 0 280.299 2.294 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cn1 ZINC001168965853 811317712 /nfs/dbraw/zinc/31/77/12/811317712.db2.gz CREYOAAZPCBLSG-UMNHJUIQSA-N 1 0 267.304 2.317 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975654 811323699 /nfs/dbraw/zinc/32/36/99/811323699.db2.gz WQKTWDHBBZCCQS-MWLCHTKSSA-N 1 0 298.289 2.183 20 5 CEBDRO [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168995238 811325142 /nfs/dbraw/zinc/32/51/42/811325142.db2.gz SAAIIHOSVXPGLV-ZIAGYGMSSA-N 1 0 281.400 2.025 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C1 ZINC001168994613 811325163 /nfs/dbraw/zinc/32/51/63/811325163.db2.gz QKMJNTHILJAWBI-GDBMZVCRSA-N 1 0 295.427 2.286 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999401 811326123 /nfs/dbraw/zinc/32/61/23/811326123.db2.gz SQRKWLVUWYOARG-ZWNOBZJWSA-N 1 0 280.299 2.043 20 5 CEBDRO Cc1cccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168998560 811326813 /nfs/dbraw/zinc/32/68/13/811326813.db2.gz OPWKDDHGAZANRZ-KGLIPLIRSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2Cl)C1 ZINC001169000915 811327691 /nfs/dbraw/zinc/32/76/91/811327691.db2.gz ZKQSYPRFKLPHSC-UHIISALHSA-N 1 0 298.770 2.408 20 5 CEBDRO O=C1c2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004110 811330056 /nfs/dbraw/zinc/33/00/56/811330056.db2.gz PXCCZEVKIKDGCN-KYOSRNDESA-N 1 0 288.347 2.219 20 5 CEBDRO Cc1ncsc1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004147 811330229 /nfs/dbraw/zinc/33/02/29/811330229.db2.gz QCSKUBIDHVTVHB-MNOVXSKESA-N 1 0 269.370 2.029 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001169006168 811331526 /nfs/dbraw/zinc/33/15/26/811331526.db2.gz WLOTZNJSHPWASI-OCCSQVGLSA-N 1 0 275.352 2.192 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010961 811334011 /nfs/dbraw/zinc/33/40/11/811334011.db2.gz GRCIHNUUNVHWQO-OUAUKWLOSA-N 1 0 280.290 2.359 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001169011694 811335058 /nfs/dbraw/zinc/33/50/58/811335058.db2.gz MEYSXUMUESTBHT-QCNOEVLYSA-N 1 0 274.311 2.409 20 5 CEBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)no1 ZINC001169013638 811335767 /nfs/dbraw/zinc/33/57/67/811335767.db2.gz VUSJYKOMBHXDIN-YNEHKIRRSA-N 1 0 294.355 2.003 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169029933 811344359 /nfs/dbraw/zinc/34/43/59/811344359.db2.gz YWZWQLUMZXVOGQ-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001169030301 811345013 /nfs/dbraw/zinc/34/50/13/811345013.db2.gz YFRZYPIMZJAQMO-VHDGCEQUSA-N 1 0 275.352 2.316 20 5 CEBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038785 811347891 /nfs/dbraw/zinc/34/78/91/811347891.db2.gz KJQGUMGPZXXPJK-CSHRUCKSSA-N 1 0 268.357 2.074 20 5 CEBDRO CC[N@H+](CCN1CCCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039740 811349707 /nfs/dbraw/zinc/34/97/07/811349707.db2.gz SUWCPEODMKQRAV-LSDHHAIUSA-N 1 0 283.416 2.240 20 5 CEBDRO Cc1ccnn1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046699 811355128 /nfs/dbraw/zinc/35/51/28/811355128.db2.gz MBBQCKHBPFOASA-DZGCQCFKSA-N 1 0 292.383 2.274 20 5 CEBDRO CC(C)[N@H+](CCCCCO)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047617 811356318 /nfs/dbraw/zinc/35/63/18/811356318.db2.gz RSNWXFGIMHXNCF-ZIAGYGMSSA-N 1 0 272.389 2.305 20 5 CEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169231443 811446503 /nfs/dbraw/zinc/44/65/03/811446503.db2.gz JQPZECQKPDSIAE-MRVPVSSYSA-N 1 0 264.260 2.248 20 5 CEBDRO [NH3+]Cc1ccn(-c2nccc(Br)c2[N+](=O)[O-])c1 ZINC001169725789 811628429 /nfs/dbraw/zinc/62/84/29/811628429.db2.gz LGBYINRKVJSQCN-UHFFFAOYSA-N 1 0 297.112 2.002 20 5 CEBDRO Cc1cc(-n2cc(CC[NH3+])c3ncccc32)ncc1[N+](=O)[O-] ZINC001169709064 811635935 /nfs/dbraw/zinc/63/59/35/811635935.db2.gz SJBAKDMZLCXUSM-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC001170304263 812379150 /nfs/dbraw/zinc/37/91/50/812379150.db2.gz AQOAZNQUTXACBS-NSHDSACASA-N 1 0 294.351 2.039 20 5 CEBDRO CCC1(Nc2nccc3cc([N+](=O)[O-])ccc32)C[NH2+]C1 ZINC001157788209 812461256 /nfs/dbraw/zinc/46/12/56/812461256.db2.gz VKXQDUDCVZMSOI-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO C[C@@H](CO)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901001 815539875 /nfs/dbraw/zinc/53/98/75/815539875.db2.gz FJWDJWUYIDOLQB-DOMZBBRYSA-N 1 0 292.379 2.450 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)C1CC1)CC2 ZINC001172904650 815541090 /nfs/dbraw/zinc/54/10/90/815541090.db2.gz ZCLLPPGRPZPZEL-GDBMZVCRSA-N 1 0 290.363 2.203 20 5 CEBDRO COC1C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904737 815541091 /nfs/dbraw/zinc/54/10/91/815541091.db2.gz ACMMKZDCPYQLOE-ZDUSSCGKSA-N 1 0 276.336 2.173 20 5 CEBDRO Cc1cc(Cl)c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170574692 812698142 /nfs/dbraw/zinc/69/81/42/812698142.db2.gz NUIFDUWEPKMULH-SKDRFNHKSA-N 1 0 299.758 2.345 20 5 CEBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+]C4(CC4)C3)ccc21 ZINC001158936542 813134213 /nfs/dbraw/zinc/13/42/13/813134213.db2.gz IAOAHCPHPQXHMA-UHFFFAOYSA-N 1 0 284.319 2.085 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170890247 813619042 /nfs/dbraw/zinc/61/90/42/813619042.db2.gz SPYUUIQSIARNPH-MRVPVSSYSA-N 1 0 278.287 2.431 20 5 CEBDRO CC(C)([NH3+])CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001171191069 814082964 /nfs/dbraw/zinc/08/29/64/814082964.db2.gz ITDADXLKIISBSQ-UHFFFAOYSA-N 1 0 278.287 2.431 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000754081039 814119196 /nfs/dbraw/zinc/11/91/96/814119196.db2.gz WVCLQXMMNNRTTN-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cnc(-n2cc3ccc(C[NH3+])cc3n2)cc1[N+](=O)[O-] ZINC001171324683 814541081 /nfs/dbraw/zinc/54/10/81/814541081.db2.gz IBUHUPRNXJJARO-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@@H]1CCCC[NH2+]1 ZINC001171327942 814544756 /nfs/dbraw/zinc/54/47/56/814544756.db2.gz JDFNEECZVIBKRR-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CCC23CCC3)cc1 ZINC000713265333 814848706 /nfs/dbraw/zinc/84/87/06/814848706.db2.gz YMOFBLWVUGVLAZ-UHFFFAOYSA-N 1 0 275.352 2.313 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215671 815623824 /nfs/dbraw/zinc/62/38/24/815623824.db2.gz YFROIFCKEIVPEX-LBPRGKRZSA-N 1 0 288.351 2.321 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cocn1 ZINC001173219229 815624806 /nfs/dbraw/zinc/62/48/06/815624806.db2.gz ZGTGRDPJQVLPDJ-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CSC1 ZINC001173219046 815624893 /nfs/dbraw/zinc/62/48/93/815624893.db2.gz VVAWKZMKBVBGGL-SNVBAGLBSA-N 1 0 266.366 2.478 20 5 CEBDRO CCC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220222 815625849 /nfs/dbraw/zinc/62/58/49/815625849.db2.gz VZLFTYPRAOALBM-SNVBAGLBSA-N 1 0 250.298 2.095 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001173221253 815625858 /nfs/dbraw/zinc/62/58/58/815625858.db2.gz GQTPFPISQUMKKL-TYNCELHUSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC001173233486 815632977 /nfs/dbraw/zinc/63/29/77/815632977.db2.gz JHXIUIXCRLYACH-BXUZGUMPSA-N 1 0 294.351 2.267 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208719 815635228 /nfs/dbraw/zinc/63/52/28/815635228.db2.gz AXXZDCZFCWLGPI-FZMZJTMJSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001173211588 815635843 /nfs/dbraw/zinc/63/58/43/815635843.db2.gz TUDKQVJMIJFPBG-SCDSUCTJSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173213559 815637215 /nfs/dbraw/zinc/63/72/15/815637215.db2.gz IPOHIHQFYGJXPY-JTQLQIEISA-N 1 0 290.323 2.050 20 5 CEBDRO COc1ccc(Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC001176360117 816401305 /nfs/dbraw/zinc/40/13/05/816401305.db2.gz UCPORHAAGINVOD-UHFFFAOYSA-N 1 0 259.265 2.472 20 5 CEBDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289990116 197554249 /nfs/dbraw/zinc/55/42/49/197554249.db2.gz YJXYWBUMGPVAAK-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079769805 343990194 /nfs/dbraw/zinc/99/01/94/343990194.db2.gz IFMWLSHIPKEJAV-HNNXBMFYSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC2(C)C)c([N+](=O)[O-])cc1O ZINC000337714129 214230316 /nfs/dbraw/zinc/23/03/16/214230316.db2.gz PUCIBAXFCRRAQS-GFCCVEGCSA-N 1 0 266.297 2.197 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959500 361874564 /nfs/dbraw/zinc/87/45/64/361874564.db2.gz IZYJSACYMIYFLE-RYUDHWBXSA-N 1 0 293.367 2.469 20 5 CEBDRO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751813 361929897 /nfs/dbraw/zinc/92/98/97/361929897.db2.gz JTCAZXOYTNYNRB-CYBMUJFWSA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782983 361936849 /nfs/dbraw/zinc/93/68/49/361936849.db2.gz PMJDSXVZCRWTOT-RYUDHWBXSA-N 1 0 291.351 2.256 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000080768542 344023874 /nfs/dbraw/zinc/02/38/74/344023874.db2.gz JNBBMBHEEZILAI-UHFFFAOYSA-N 1 0 294.355 2.400 20 5 CEBDRO COCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042459196 362097397 /nfs/dbraw/zinc/09/73/97/362097397.db2.gz XXVRDPDXHMCPNJ-UHFFFAOYSA-N 1 0 258.705 2.326 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449423683 282230476 /nfs/dbraw/zinc/23/04/76/282230476.db2.gz BRDUYUNNGGPLNL-CRFLGQKZSA-N 1 0 276.336 2.359 20 5 CEBDRO COc1ccc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493509 282257020 /nfs/dbraw/zinc/25/70/20/282257020.db2.gz DZWXRSDMCNWCNS-FZMZJTMJSA-N 1 0 294.351 2.460 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000029912056 343401932 /nfs/dbraw/zinc/40/19/32/343401932.db2.gz WOBVLSNRGAFHOD-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449507325 282262914 /nfs/dbraw/zinc/26/29/14/282262914.db2.gz LVTJPILQLJUPSS-HOCLYGCPSA-N 1 0 290.363 2.482 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000567828819 299096010 /nfs/dbraw/zinc/09/60/10/299096010.db2.gz JDORWDSSIXDCFG-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO CN(Cc1nnc2ccccn21)Cc1ccc([N+](=O)[O-])cc1 ZINC000081007956 344033740 /nfs/dbraw/zinc/03/37/40/344033740.db2.gz VFBRNMCDEUTSCA-UHFFFAOYSA-N 1 0 297.318 2.270 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000127577814 365754450 /nfs/dbraw/zinc/75/44/50/365754450.db2.gz OUPWPMJFIBOMFR-PHIMTYICSA-N 1 0 291.351 2.326 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000046408563 343499031 /nfs/dbraw/zinc/49/90/31/343499031.db2.gz OVDHJTQGQVXXRQ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449547942 282279693 /nfs/dbraw/zinc/27/96/93/282279693.db2.gz ZCRFZSDACJWLBZ-WZRBSPASSA-N 1 0 266.341 2.275 20 5 CEBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000057714285 343636135 /nfs/dbraw/zinc/63/61/35/343636135.db2.gz LIYWDHVGIVONEZ-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000295440825 199510331 /nfs/dbraw/zinc/51/03/31/199510331.db2.gz PLJNXJORKPJCHU-SUNKGSAMSA-N 1 0 264.325 2.293 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000066137773 343707988 /nfs/dbraw/zinc/70/79/88/343707988.db2.gz HTFGQAFEXZVJSB-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000351517423 219112748 /nfs/dbraw/zinc/11/27/48/219112748.db2.gz NULVNGVITFLDKA-GJZGRUSLSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128093782 187350698 /nfs/dbraw/zinc/35/06/98/187350698.db2.gz FMEOGJFBAJXELN-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000602133019 346980653 /nfs/dbraw/zinc/98/06/53/346980653.db2.gz NJKXTYNHFKNDIU-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128098944 187351375 /nfs/dbraw/zinc/35/13/75/187351375.db2.gz ZFAPQFFMNIIPDB-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000602122498 346978757 /nfs/dbraw/zinc/97/87/57/346978757.db2.gz CRYZFJLJIJMAOV-LLVKDONJSA-N 1 0 291.351 2.036 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1(O)CCC1 ZINC000411724479 529935286 /nfs/dbraw/zinc/93/52/86/529935286.db2.gz ULNKLLABVBFCDR-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1cccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449638020 282314247 /nfs/dbraw/zinc/31/42/47/282314247.db2.gz IYGLWNVSYZKMOI-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078559641 343956480 /nfs/dbraw/zinc/95/64/80/343956480.db2.gz WTIRRNRCNZQJTD-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048580782 362288073 /nfs/dbraw/zinc/28/80/73/362288073.db2.gz NRQGUXNHMJQWJR-CYBMUJFWSA-N 1 0 292.335 2.370 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H](C)CCO ZINC000295087004 199339020 /nfs/dbraw/zinc/33/90/20/199339020.db2.gz IWXLZPNZQNABJP-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000049096075 362339203 /nfs/dbraw/zinc/33/92/03/362339203.db2.gz JJWHWWWLIFFTHD-GXFFZTMASA-N 1 0 279.340 2.160 20 5 CEBDRO CCC[C@@H]([NH2+]CC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606094 344140964 /nfs/dbraw/zinc/14/09/64/344140964.db2.gz SIABZYVLGOJTGT-CQSZACIVSA-N 1 0 294.351 2.035 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093334626 344220516 /nfs/dbraw/zinc/22/05/16/344220516.db2.gz HLJCOUVABXNRCN-QMTHXVAHSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000092471397 344191013 /nfs/dbraw/zinc/19/10/13/344191013.db2.gz GPXABBYBYQQMPJ-JTQLQIEISA-N 1 0 280.324 2.454 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602468945 347044699 /nfs/dbraw/zinc/04/46/99/347044699.db2.gz OYDBVQNBEDETIC-JTQLQIEISA-N 1 0 252.318 2.093 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000049800302 362376018 /nfs/dbraw/zinc/37/60/18/362376018.db2.gz TZZNYOVPZSQVIY-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO Cc1ccc(OCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000122528685 344307052 /nfs/dbraw/zinc/30/70/52/344307052.db2.gz ALHCBAIYIPWLKV-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000122537426 344307068 /nfs/dbraw/zinc/30/70/68/344307068.db2.gz GENUIXDYRNEOQB-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000151285033 344420523 /nfs/dbraw/zinc/42/05/23/344420523.db2.gz ZXVZLXGSALHTLM-UHFFFAOYSA-N 1 0 285.307 2.062 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000146362186 344410424 /nfs/dbraw/zinc/41/04/24/344410424.db2.gz NQVLHJIYOQBTOM-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000157129707 344445471 /nfs/dbraw/zinc/44/54/71/344445471.db2.gz QYJPEHMDRCKKPO-AWEZNQCLSA-N 1 0 294.351 2.340 20 5 CEBDRO CC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000226380299 344549633 /nfs/dbraw/zinc/54/96/33/344549633.db2.gz XIYPQNUJGOGBCX-UHFFFAOYSA-N 1 0 250.298 2.363 20 5 CEBDRO Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000228560668 344561141 /nfs/dbraw/zinc/56/11/41/344561141.db2.gz DKONBNHCDMYECX-JTQLQIEISA-N 1 0 274.280 2.378 20 5 CEBDRO Cc1cnccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000228669441 344562966 /nfs/dbraw/zinc/56/29/66/344562966.db2.gz YSFRHGKFIFDAQZ-UHFFFAOYSA-N 1 0 287.319 2.467 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000050104486 362400867 /nfs/dbraw/zinc/40/08/67/362400867.db2.gz IFJWBDLSDNYJCA-LBPRGKRZSA-N 1 0 264.325 2.108 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051688548 362433503 /nfs/dbraw/zinc/43/35/03/362433503.db2.gz FJDFTKSBSUNGFS-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO CSC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000235229708 344589594 /nfs/dbraw/zinc/58/95/94/344589594.db2.gz FQOOHDHGMNSKFT-UHFFFAOYSA-N 1 0 282.365 2.459 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)C1CCC1 ZINC000449742340 282349276 /nfs/dbraw/zinc/34/92/76/282349276.db2.gz YYNZNPZWPCGTDQ-LWUPOJRFSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCOCC1 ZINC000052172646 362468591 /nfs/dbraw/zinc/46/85/91/362468591.db2.gz AQMYPQPXTAEEHL-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC000053096242 362481412 /nfs/dbraw/zinc/48/14/12/362481412.db2.gz YUJFDNWNRQOHIG-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272624253 344667843 /nfs/dbraw/zinc/66/78/43/344667843.db2.gz VEUHLEKSSBMZEG-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000277318896 344671510 /nfs/dbraw/zinc/67/15/10/344671510.db2.gz DHHSJFXAZFMQLQ-IUODEOHRSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000312159933 344737680 /nfs/dbraw/zinc/73/76/80/344737680.db2.gz JEPYMIGYNRQKEX-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312622544 344739291 /nfs/dbraw/zinc/73/92/91/344739291.db2.gz BEOHIKXNRGNFFB-AOOOYVTPSA-N 1 0 296.758 2.079 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CO)CCC1 ZINC000344356561 344773913 /nfs/dbraw/zinc/77/39/13/344773913.db2.gz WMWRQHMKHVHYLV-UTCJRWHESA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555777 347075292 /nfs/dbraw/zinc/07/52/92/347075292.db2.gz IVKMNZMOCKRQTK-QMMMGPOBSA-N 1 0 292.257 2.474 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCOC1 ZINC000602573075 347083515 /nfs/dbraw/zinc/08/35/15/347083515.db2.gz YCNLCPGAQKWZSW-SNVBAGLBSA-N 1 0 290.241 2.492 20 5 CEBDRO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602576279 347084607 /nfs/dbraw/zinc/08/46/07/347084607.db2.gz KUWSMDABHVLXHT-ZDUSSCGKSA-N 1 0 277.280 2.005 20 5 CEBDRO C[C@H](CF)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207911 345072029 /nfs/dbraw/zinc/07/20/29/345072029.db2.gz ZIRCTCYIEBKFLE-VHSXEESVSA-N 1 0 283.303 2.260 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000588815995 345055845 /nfs/dbraw/zinc/05/58/45/345055845.db2.gz JSQQXOSKZMBUTK-LBPRGKRZSA-N 1 0 295.387 2.086 20 5 CEBDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055901589 362555408 /nfs/dbraw/zinc/55/54/08/362555408.db2.gz BCZRPONZAYWBND-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000127375153 187301000 /nfs/dbraw/zinc/30/10/00/187301000.db2.gz HDSAFWSOEKHQQT-CQSZACIVSA-N 1 0 291.351 2.232 20 5 CEBDRO C[C@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591306251 345238692 /nfs/dbraw/zinc/23/86/92/345238692.db2.gz UTUCANGEGABMFO-VIFPVBQESA-N 1 0 294.355 2.361 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000591431615 345252379 /nfs/dbraw/zinc/25/23/79/345252379.db2.gz RLRXRGAOHHDKMX-ZDUSSCGKSA-N 1 0 294.330 2.097 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ncccc12 ZINC000591439586 345254958 /nfs/dbraw/zinc/25/49/58/345254958.db2.gz WLSGANXUHJBRHL-WCQYABFASA-N 1 0 298.346 2.331 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000591464227 345259406 /nfs/dbraw/zinc/25/94/06/345259406.db2.gz RKEOJDXRGBDCFB-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000591532449 345263626 /nfs/dbraw/zinc/26/36/26/345263626.db2.gz LJWGYWNATQHXDL-CMPLNLGQSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1c([C@@H](C)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591577208 345265219 /nfs/dbraw/zinc/26/52/19/345265219.db2.gz BGRHEJPNLLDXJN-LLVKDONJSA-N 1 0 263.341 2.306 20 5 CEBDRO CC1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591764956 345278309 /nfs/dbraw/zinc/27/83/09/345278309.db2.gz KWHWZLRGHMBGAO-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000592329180 345343011 /nfs/dbraw/zinc/34/30/11/345343011.db2.gz OKTXTLXUWBQCSC-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000273938123 192370461 /nfs/dbraw/zinc/37/04/61/192370461.db2.gz DAUOQCKDJWSRAK-NEPJUHHUSA-N 1 0 296.367 2.489 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000592380633 345348066 /nfs/dbraw/zinc/34/80/66/345348066.db2.gz WVPGCKAPHQBGHQ-FJYXQWIHSA-N 1 0 262.309 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424400 345351630 /nfs/dbraw/zinc/35/16/30/345351630.db2.gz OMHFTSMCVUPQLN-UHFFFAOYSA-N 1 0 275.352 2.311 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]CC1(C)C ZINC000592427685 345351666 /nfs/dbraw/zinc/35/16/66/345351666.db2.gz QGFFVPZTHORCDA-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1c(CN2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592485741 345359270 /nfs/dbraw/zinc/35/92/70/345359270.db2.gz XBFNJOIPOLCKPK-UHFFFAOYSA-N 1 0 263.341 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CCF)CCC2 ZINC000593718700 345526318 /nfs/dbraw/zinc/52/63/18/345526318.db2.gz PCNHBTMGSKZQES-SMDDNHRTSA-N 1 0 282.315 2.282 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718723 345526414 /nfs/dbraw/zinc/52/64/14/345526414.db2.gz PYVFTRRUUQZVBE-WDEREUQCSA-N 1 0 270.304 2.274 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593724414 345527962 /nfs/dbraw/zinc/52/79/62/345527962.db2.gz VRWDRKXYAHESJY-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1sc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594106477 345585564 /nfs/dbraw/zinc/58/55/64/345585564.db2.gz YODQCCKBAZPYQF-AOOOYVTPSA-N 1 0 297.380 2.035 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000594592867 345654123 /nfs/dbraw/zinc/65/41/23/345654123.db2.gz ZQOFVEJFTUPFTA-TXEJJXNPSA-N 1 0 278.356 2.359 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594712257 345676732 /nfs/dbraw/zinc/67/67/32/345676732.db2.gz UKWGYVSHGPCXIK-NJZAAPMLSA-N 1 0 294.351 2.297 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000602580140 347086957 /nfs/dbraw/zinc/08/69/57/347086957.db2.gz WLDFJWWEOFKHMK-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/CO ZINC000595073125 345739415 /nfs/dbraw/zinc/73/94/15/345739415.db2.gz SDSWOMSTDLLEQY-ITKZLYELSA-N 1 0 264.325 2.054 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595089867 345741044 /nfs/dbraw/zinc/74/10/44/345741044.db2.gz PVBNKSQUAOPDFR-QEJZJMRPSA-N 1 0 288.347 2.475 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918551 345701470 /nfs/dbraw/zinc/70/14/70/345701470.db2.gz BUJKHVRLNZTGBB-OCCSQVGLSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1c(C[NH2+]Cc2cnn3c2CCC3)cccc1[N+](=O)[O-] ZINC000594938699 345710264 /nfs/dbraw/zinc/71/02/64/345710264.db2.gz ONJKQQBCFNZMGN-UHFFFAOYSA-N 1 0 286.335 2.336 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964643 345718654 /nfs/dbraw/zinc/71/86/54/345718654.db2.gz LLKHEDIIGTUDEK-VQZRKKFQSA-N 1 0 296.392 2.374 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C\CO ZINC000594974228 345720258 /nfs/dbraw/zinc/72/02/58/345720258.db2.gz ITHQZDZLRCXCFX-OXBVQVJRSA-N 1 0 262.309 2.136 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000594973465 345720342 /nfs/dbraw/zinc/72/03/42/345720342.db2.gz CGPJPCFYZLXGLF-LBPRGKRZSA-N 1 0 292.335 2.405 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000595018085 345728401 /nfs/dbraw/zinc/72/84/01/345728401.db2.gz PTZNTINSAQKYJU-QWRGUYRKSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@H](C)O ZINC000595033698 345731595 /nfs/dbraw/zinc/73/15/95/345731595.db2.gz RZKPKSZDYPGNAM-VWYCJHECSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000595056958 345735980 /nfs/dbraw/zinc/73/59/80/345735980.db2.gz UNOIJCXIORVZCX-QMTHXVAHSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329914 345763209 /nfs/dbraw/zinc/76/32/09/345763209.db2.gz DTTUAGVVQXNCPI-GFCCVEGCSA-N 1 0 296.371 2.055 20 5 CEBDRO COC[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000595405098 345775458 /nfs/dbraw/zinc/77/54/58/345775458.db2.gz SSOUECBEQOJKDW-HNNXBMFYSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1noc(C[N@@H+]([C@H](C)CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595452013 345785992 /nfs/dbraw/zinc/78/59/92/345785992.db2.gz GFLUELLXKLUXNJ-SECBINFHSA-N 1 0 283.328 2.017 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1CCO ZINC000595450585 345786006 /nfs/dbraw/zinc/78/60/06/345786006.db2.gz UWTAJOCMGOZPAG-LBPRGKRZSA-N 1 0 268.288 2.081 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595460874 345789123 /nfs/dbraw/zinc/78/91/23/345789123.db2.gz RQXBOWJGBTTXPA-JOCQHMNTSA-N 1 0 282.315 2.469 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CC=CC3)CC2)n1 ZINC000595480157 345792443 /nfs/dbraw/zinc/79/24/43/345792443.db2.gz JRDMBBUMJGBPAT-UHFFFAOYSA-N 1 0 276.340 2.394 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CCO)CCCC2)c1 ZINC000595508680 345799193 /nfs/dbraw/zinc/79/91/93/345799193.db2.gz IWFUGFSKWVGSHD-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595731364 345861951 /nfs/dbraw/zinc/86/19/51/345861951.db2.gz DHGVXTZASWVPQO-QWRGUYRKSA-N 1 0 294.351 2.052 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827047 345887416 /nfs/dbraw/zinc/88/74/16/345887416.db2.gz KWHBKEHKNMERNX-STQMWFEESA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(COC2)C1 ZINC000595834059 345890484 /nfs/dbraw/zinc/89/04/84/345890484.db2.gz GNUQYJAXPKJLPO-LLVKDONJSA-N 1 0 262.309 2.378 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595751027 345866356 /nfs/dbraw/zinc/86/63/56/345866356.db2.gz FLMKOHKJSMJXBN-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595766688 345871127 /nfs/dbraw/zinc/87/11/27/345871127.db2.gz YWZKPOIZZAKLIZ-ZFWWWQNUSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000595771661 345872440 /nfs/dbraw/zinc/87/24/40/345872440.db2.gz DDTRUIQUERZSKY-GFCCVEGCSA-N 1 0 291.351 2.128 20 5 CEBDRO C[C@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CN1C1CC1 ZINC000596156641 345954471 /nfs/dbraw/zinc/95/44/71/345954471.db2.gz QQJSFJLZEOWJND-DTWKUNHWSA-N 1 0 296.758 2.102 20 5 CEBDRO O=[N+]([O-])c1ncccc1OCc1cccc2c1CC[NH2+]C2 ZINC000596070558 345932575 /nfs/dbraw/zinc/93/25/75/345932575.db2.gz RMDGJGISUKQXKT-UHFFFAOYSA-N 1 0 285.303 2.215 20 5 CEBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000596073572 345933255 /nfs/dbraw/zinc/93/32/55/345933255.db2.gz JICKHIOUPCZFQA-MNOVXSKESA-N 1 0 294.355 2.370 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596138333 345949338 /nfs/dbraw/zinc/94/93/38/345949338.db2.gz IRSIXALRSOVPJV-NSHDSACASA-N 1 0 294.355 2.006 20 5 CEBDRO C[C@@H](CCNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000596424658 346020217 /nfs/dbraw/zinc/02/02/17/346020217.db2.gz JIJDWFKALVOAGS-QMMMGPOBSA-N 1 0 283.357 2.056 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1nccn1C ZINC000596544110 346050894 /nfs/dbraw/zinc/05/08/94/346050894.db2.gz YLTFGVFRDARNAS-QMMMGPOBSA-N 1 0 278.316 2.026 20 5 CEBDRO C[NH+](C)CCC[C@@H]1CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000596568624 346057211 /nfs/dbraw/zinc/05/72/11/346057211.db2.gz SJUOEMXOCGKASF-LLVKDONJSA-N 1 0 299.396 2.203 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000596452705 346027493 /nfs/dbraw/zinc/02/74/93/346027493.db2.gz FNEDXECYQHFSLH-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1c(NC(=O)NCC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596634678 346069422 /nfs/dbraw/zinc/06/94/22/346069422.db2.gz BMDSFWVVPADKNV-JTQLQIEISA-N 1 0 294.355 2.365 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654537 346072694 /nfs/dbraw/zinc/07/26/94/346072694.db2.gz PYZFJRFKPFXAIE-MNOVXSKESA-N 1 0 281.356 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000596597672 346062909 /nfs/dbraw/zinc/06/29/09/346062909.db2.gz WZKAWKKEDFKOOQ-UHFFFAOYSA-N 1 0 272.308 2.266 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597047274 346120092 /nfs/dbraw/zinc/12/00/92/346120092.db2.gz PWUCLEQAWXCITA-JSGCOSHPSA-N 1 0 262.309 2.252 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000597252918 346162696 /nfs/dbraw/zinc/16/26/96/346162696.db2.gz CBRZEVVJIVUAQF-QPJJXVBHSA-N 1 0 276.336 2.455 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597926112 346254863 /nfs/dbraw/zinc/25/48/63/346254863.db2.gz VSTIELJGGFIJSY-JTQLQIEISA-N 1 0 297.380 2.259 20 5 CEBDRO Cc1c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682513 346400126 /nfs/dbraw/zinc/40/01/26/346400126.db2.gz OAJHYZVNBZZROJ-UKRRQHHQSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598684387 346400212 /nfs/dbraw/zinc/40/02/12/346400212.db2.gz WMCQKMNGQONLKA-JMSVASOKSA-N 1 0 275.352 2.469 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598912979 346433361 /nfs/dbraw/zinc/43/33/61/346433361.db2.gz DHCQYDVUXVELKM-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000598915193 346433412 /nfs/dbraw/zinc/43/34/12/346433412.db2.gz JXTVPXCCSRGJLZ-QMMMGPOBSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@]1(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]C1 ZINC000598915734 346433953 /nfs/dbraw/zinc/43/39/53/346433953.db2.gz NQKKLKIAFJLYRS-GFCCVEGCSA-N 1 0 298.730 2.122 20 5 CEBDRO CC[C@@]1(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062894164 362730703 /nfs/dbraw/zinc/73/07/03/362730703.db2.gz ACSCRQZNFJONOY-XHDPSFHLSA-N 1 0 291.351 2.162 20 5 CEBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598988376 346442518 /nfs/dbraw/zinc/44/25/18/346442518.db2.gz QSGAFWMQDUKVCS-SMDDNHRTSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000598987319 346442523 /nfs/dbraw/zinc/44/25/23/346442523.db2.gz KVJWAOQCERPXGY-CYBMUJFWSA-N 1 0 299.321 2.414 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066528 346455153 /nfs/dbraw/zinc/45/51/53/346455153.db2.gz RRYZWNXMKWQNSM-SOUVJXGZSA-N 1 0 294.351 2.175 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000599083962 346457932 /nfs/dbraw/zinc/45/79/32/346457932.db2.gz YZDVFGOBAURWGG-SNVBAGLBSA-N 1 0 280.324 2.291 20 5 CEBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000599094725 346459730 /nfs/dbraw/zinc/45/97/30/346459730.db2.gz LLBOAIRJIGACGM-GFCCVEGCSA-N 1 0 299.321 2.369 20 5 CEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110235 346461280 /nfs/dbraw/zinc/46/12/80/346461280.db2.gz MJYZUOIGFFHBPA-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO CC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[NH2+]1 ZINC000599179639 346474399 /nfs/dbraw/zinc/47/43/99/346474399.db2.gz OZKCWKYBLNCDBL-VHSXEESVSA-N 1 0 289.339 2.048 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000063002553 362740878 /nfs/dbraw/zinc/74/08/78/362740878.db2.gz MEJVWSJWDJKRRQ-INIZCTEOSA-N 1 0 286.331 2.461 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CCOC3)nc2c1 ZINC000602606493 347098608 /nfs/dbraw/zinc/09/86/08/347098608.db2.gz FRGIROZWEJGMOR-JTQLQIEISA-N 1 0 291.307 2.252 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599672340 346560727 /nfs/dbraw/zinc/56/07/27/346560727.db2.gz LWRLPMHLHLOBHB-XBXGTLAGSA-N 1 0 294.351 2.066 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000599602920 346544726 /nfs/dbraw/zinc/54/47/26/346544726.db2.gz ARQNVEPSXMVWTP-LBPRGKRZSA-N 1 0 290.323 2.001 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000599622432 346547001 /nfs/dbraw/zinc/54/70/01/346547001.db2.gz DDCGENSZXHUWOU-DEKYYXRVSA-N 1 0 264.325 2.496 20 5 CEBDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714965 346676648 /nfs/dbraw/zinc/67/66/48/346676648.db2.gz WHYOLIXLEGNYOK-LEWSCRJBSA-N 1 0 263.341 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)cn1 ZINC000600789933 346690810 /nfs/dbraw/zinc/69/08/10/346690810.db2.gz URLGKLWUXJFEBD-AWEZNQCLSA-N 1 0 285.303 2.318 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601119986 346758456 /nfs/dbraw/zinc/75/84/56/346758456.db2.gz HNPJOGXQHLSTLT-NSHDSACASA-N 1 0 296.346 2.297 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601125560 346761759 /nfs/dbraw/zinc/76/17/59/346761759.db2.gz RXXWMMRJTAPJRZ-LLVKDONJSA-N 1 0 282.319 2.049 20 5 CEBDRO CC[C@H](C)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149333 346769957 /nfs/dbraw/zinc/76/99/57/346769957.db2.gz LKIIVONGMIBVAG-FZMZJTMJSA-N 1 0 266.341 2.438 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000601153465 346771219 /nfs/dbraw/zinc/77/12/19/346771219.db2.gz OIVLIIFWXIYLFW-LDYMZIIASA-N 1 0 292.257 2.305 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601201093 346786245 /nfs/dbraw/zinc/78/62/45/346786245.db2.gz KZTVEZFGOIIZLJ-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCC[C@@H]3CCO3)nc2c1 ZINC000602637187 347117518 /nfs/dbraw/zinc/11/75/18/347117518.db2.gz MKVYHNQSZQXKFV-LLVKDONJSA-N 1 0 290.323 2.130 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCF)CC2)cc1 ZINC000285250524 136665063 /nfs/dbraw/zinc/66/50/63/136665063.db2.gz RVZSWJVLECGHHY-UHFFFAOYSA-N 1 0 281.331 2.467 20 5 CEBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000602677594 347138863 /nfs/dbraw/zinc/13/88/63/347138863.db2.gz JBKZWMXBJMPLAI-RYUDHWBXSA-N 1 0 288.294 2.132 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679479 347140929 /nfs/dbraw/zinc/14/09/29/347140929.db2.gz FLHDFMVJBGEFMD-SNVBAGLBSA-N 1 0 293.323 2.329 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000129583076 365874418 /nfs/dbraw/zinc/87/44/18/365874418.db2.gz OKLZARQMFXSMFS-QMMMGPOBSA-N 1 0 271.292 2.010 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000602710371 347163986 /nfs/dbraw/zinc/16/39/86/347163986.db2.gz TWXSAYMGAIOOBL-GFCCVEGCSA-N 1 0 286.278 2.151 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C/C=C\CO ZINC000602711322 347165135 /nfs/dbraw/zinc/16/51/35/347165135.db2.gz RBYMGWUYFQAYRT-UPHRSURJSA-N 1 0 290.241 2.252 20 5 CEBDRO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602711405 347165171 /nfs/dbraw/zinc/16/51/71/347165171.db2.gz QAPCTOAXBPRBLZ-SECBINFHSA-N 1 0 291.307 2.081 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000602787594 347197867 /nfs/dbraw/zinc/19/78/67/347197867.db2.gz ZOUXSJVIQGRVGQ-QWHCGFSZSA-N 1 0 278.356 2.364 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602809314 347208025 /nfs/dbraw/zinc/20/80/25/347208025.db2.gz ATCIQBCTDUTDSN-FOGDFJRCSA-N 1 0 266.345 2.243 20 5 CEBDRO CC(C)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733054 347176897 /nfs/dbraw/zinc/17/68/97/347176897.db2.gz SATHIJDSGWDQRF-AWEZNQCLSA-N 1 0 266.341 2.438 20 5 CEBDRO C[C@@H]1OCC[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602830990 347216355 /nfs/dbraw/zinc/21/63/55/347216355.db2.gz NOJIILJZTRIMPE-JSGCOSHPSA-N 1 0 278.352 2.494 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CC1(C)C ZINC000602903917 347242896 /nfs/dbraw/zinc/24/28/96/347242896.db2.gz SQCMJHSSGCXOJB-NSHDSACASA-N 1 0 266.345 2.078 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cs1 ZINC000085978264 179208654 /nfs/dbraw/zinc/20/86/54/179208654.db2.gz OHECHIXXRFLPFW-QWRGUYRKSA-N 1 0 270.354 2.297 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000602998012 347270691 /nfs/dbraw/zinc/27/06/91/347270691.db2.gz VTMFSBPFRGPMGP-TUAOUCFPSA-N 1 0 295.339 2.017 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000085987186 179212372 /nfs/dbraw/zinc/21/23/72/179212372.db2.gz BDADXZFAWPTFEI-DZGCQCFKSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[C@@](C)([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217829 347311936 /nfs/dbraw/zinc/31/19/36/347311936.db2.gz KNCZLSZEVSGOBL-IINYFYTJSA-N 1 0 289.339 2.380 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CC2)nn1 ZINC000603220932 347313400 /nfs/dbraw/zinc/31/34/00/347313400.db2.gz XQIPQGBBODAJJE-JTQLQIEISA-N 1 0 287.323 2.048 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1(C)C ZINC000603408020 347362150 /nfs/dbraw/zinc/36/21/50/347362150.db2.gz VWVPVLKXEFIAHB-QWRGUYRKSA-N 1 0 282.319 2.270 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351847503 219223793 /nfs/dbraw/zinc/22/37/93/219223793.db2.gz AAVXXLWOXPTUAD-RYUDHWBXSA-N 1 0 293.367 2.163 20 5 CEBDRO O=[N+]([O-])c1cccnc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909219 347623990 /nfs/dbraw/zinc/62/39/90/347623990.db2.gz BZEPAKZIGLFTQM-UHFFFAOYSA-N 1 0 282.263 2.314 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000609964788 347656142 /nfs/dbraw/zinc/65/61/42/347656142.db2.gz LDKALYWTBBYIHD-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610111915 347660831 /nfs/dbraw/zinc/66/08/31/347660831.db2.gz KARVWNPRJSKIEV-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000610447762 347682198 /nfs/dbraw/zinc/68/21/98/347682198.db2.gz SDUDEZJMIJIUOV-UHFFFAOYSA-N 1 0 280.250 2.066 20 5 CEBDRO CC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610488954 347684392 /nfs/dbraw/zinc/68/43/92/347684392.db2.gz BOUISWOZNXFWMT-UHFFFAOYSA-N 1 0 278.308 2.256 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000610585343 347694088 /nfs/dbraw/zinc/69/40/88/347694088.db2.gz LFFZYBJBAOJSFG-SMDDNHRTSA-N 1 0 262.309 2.458 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610282892 347669773 /nfs/dbraw/zinc/66/97/73/347669773.db2.gz JGACLORPYQBMSA-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337421 347767478 /nfs/dbraw/zinc/76/74/78/347767478.db2.gz CGYMIXUSZWYCDI-MFKMUULPSA-N 1 0 264.325 2.406 20 5 CEBDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335997 347767522 /nfs/dbraw/zinc/76/75/22/347767522.db2.gz GVMKJCWIFFVJKY-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108212 347739679 /nfs/dbraw/zinc/73/96/79/347739679.db2.gz GZKXVVJEPRETSV-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ncn1 ZINC000611134726 347743056 /nfs/dbraw/zinc/74/30/56/347743056.db2.gz GAPKMMYMCUDVNI-GQCTYLIASA-N 1 0 284.319 2.496 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCCn2cncn2)cccc1[N+](=O)[O-] ZINC000611472590 347783269 /nfs/dbraw/zinc/78/32/69/347783269.db2.gz OPIVFTNQYKVLDW-LBPRGKRZSA-N 1 0 289.339 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=CCC1 ZINC000611517206 347789335 /nfs/dbraw/zinc/78/93/35/347789335.db2.gz INGLJNYGOYSRFI-UHFFFAOYSA-N 1 0 289.335 2.494 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000086468326 179300085 /nfs/dbraw/zinc/30/00/85/179300085.db2.gz JYZMKSCTXNYKSP-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000612404360 347880487 /nfs/dbraw/zinc/88/04/87/347880487.db2.gz KGKRICYXEBFIGQ-GZBFAFLISA-N 1 0 276.336 2.106 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000339386176 215138806 /nfs/dbraw/zinc/13/88/06/215138806.db2.gz WXJVAQOYZDUYQD-MRVPVSSYSA-N 1 0 279.300 2.029 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000295149271 199372961 /nfs/dbraw/zinc/37/29/61/199372961.db2.gz CNWZZNJDYFKFQI-NSHDSACASA-N 1 0 293.367 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2CCO)cc1 ZINC000614597262 348220481 /nfs/dbraw/zinc/22/04/81/348220481.db2.gz NKPBPUBUIAQFMW-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614419971 348197654 /nfs/dbraw/zinc/19/76/54/348197654.db2.gz KBJPILPUZAADDN-RYUDHWBXSA-N 1 0 287.323 2.194 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000351935812 219255384 /nfs/dbraw/zinc/25/53/84/219255384.db2.gz NTTOPIDOBPPQQV-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000614710956 348230565 /nfs/dbraw/zinc/23/05/65/348230565.db2.gz ACAPDMWNRKCBEI-TZMCWYRMSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCCC2)cc1 ZINC000087028751 179382345 /nfs/dbraw/zinc/38/23/45/179382345.db2.gz SVLMQMXZABJAGX-UHFFFAOYSA-N 1 0 264.325 2.032 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000066812438 362885826 /nfs/dbraw/zinc/88/58/26/362885826.db2.gz LVCLVZRRIQMQBQ-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1cccnc1[N+](=O)[O-] ZINC000615948729 348417190 /nfs/dbraw/zinc/41/71/90/348417190.db2.gz COGDGOZQNYTRDB-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000273997352 192395256 /nfs/dbraw/zinc/39/52/56/192395256.db2.gz KKFHEUVZQGCLLD-WDEREUQCSA-N 1 0 280.324 2.272 20 5 CEBDRO COc1ccc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339612961 215268941 /nfs/dbraw/zinc/26/89/41/215268941.db2.gz CHTXSNXDUZTXSK-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000619785405 349236925 /nfs/dbraw/zinc/23/69/25/349236925.db2.gz GLJATJFJCBTBSG-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551375 180003100 /nfs/dbraw/zinc/00/31/00/180003100.db2.gz RVDOZVTWBWUEEM-CYBMUJFWSA-N 1 0 293.367 2.125 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000274102362 192439699 /nfs/dbraw/zinc/43/96/99/192439699.db2.gz UWVQVBSSIKVONN-RYUDHWBXSA-N 1 0 294.351 2.315 20 5 CEBDRO COCCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000091101910 180098266 /nfs/dbraw/zinc/09/82/66/180098266.db2.gz QIEPQJYAJZBEEA-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO NC(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271264229 191036079 /nfs/dbraw/zinc/03/60/79/191036079.db2.gz VNDBLRUXMISQHS-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000104953552 186033867 /nfs/dbraw/zinc/03/38/67/186033867.db2.gz IUMMQDSPAMKCEW-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000339747450 215323137 /nfs/dbraw/zinc/32/31/37/215323137.db2.gz JZDHOEADUCWIGL-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CC[N@H+](C[C@H](C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204399 219360775 /nfs/dbraw/zinc/36/07/75/219360775.db2.gz XPUPIDHHLKBVAB-WDEREUQCSA-N 1 0 252.314 2.359 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130590140 365971074 /nfs/dbraw/zinc/97/10/74/365971074.db2.gz SPUPBFFHGOLPPS-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000107889246 186196714 /nfs/dbraw/zinc/19/67/14/186196714.db2.gz KFUMBJOGAUQNMN-JTQLQIEISA-N 1 0 297.380 2.036 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111135807 186357607 /nfs/dbraw/zinc/35/76/07/186357607.db2.gz GXWACZWBNPXWSO-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000569062881 299176468 /nfs/dbraw/zinc/17/64/68/299176468.db2.gz WYYFCCMNBFDADA-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339786451 215340440 /nfs/dbraw/zinc/34/04/40/215340440.db2.gz YFNNPBUCDGTTJX-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070172775 363046388 /nfs/dbraw/zinc/04/63/88/363046388.db2.gz XJLLSLOOVXRNMB-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070173382 363047581 /nfs/dbraw/zinc/04/75/81/363047581.db2.gz OOCXDYTUDCGWDR-WDEREUQCSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000493968753 290949933 /nfs/dbraw/zinc/94/99/33/290949933.db2.gz LLZPGVQYLFATTJ-VIFPVBQESA-N 1 0 298.318 2.053 20 5 CEBDRO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142375 363108421 /nfs/dbraw/zinc/10/84/21/363108421.db2.gz HEGGASQFDLVFGO-NWDGAFQWSA-N 1 0 263.341 2.197 20 5 CEBDRO Cn1cncc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569138624 299185497 /nfs/dbraw/zinc/18/54/97/299185497.db2.gz OWJVMXWFPKDQEL-CQSZACIVSA-N 1 0 286.335 2.148 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271482402 191164286 /nfs/dbraw/zinc/16/42/86/191164286.db2.gz XWNNELCOMCLHIZ-ZDUSSCGKSA-N 1 0 292.335 2.370 20 5 CEBDRO CSCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665172 363156122 /nfs/dbraw/zinc/15/61/22/363156122.db2.gz KOWDPKKDSUYSQL-NSHDSACASA-N 1 0 296.396 2.229 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072874680 363176089 /nfs/dbraw/zinc/17/60/89/363176089.db2.gz FLWCXIUBUXPZND-NSHDSACASA-N 1 0 277.324 2.042 20 5 CEBDRO CC(C)NC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292050309 198145010 /nfs/dbraw/zinc/14/50/10/198145010.db2.gz BKTXXJJWKCKEKM-UHFFFAOYSA-N 1 0 293.367 2.334 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000292124564 198172960 /nfs/dbraw/zinc/17/29/60/198172960.db2.gz QUNKHKLMPFUCNE-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135238385 187810007 /nfs/dbraw/zinc/81/00/07/187810007.db2.gz JIXNWEYSUVIHRN-HNNXBMFYSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000292144050 198180573 /nfs/dbraw/zinc/18/05/73/198180573.db2.gz SWJAFDSRLKMTGL-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CCCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000073092557 363196868 /nfs/dbraw/zinc/19/68/68/363196868.db2.gz ZSZSEDAFTHQCHM-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292173234 198190631 /nfs/dbraw/zinc/19/06/31/198190631.db2.gz PUEXBCFNKWHPHF-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153541705 188088209 /nfs/dbraw/zinc/08/82/09/188088209.db2.gz GWAMCEAMRNBGRX-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889116 188109877 /nfs/dbraw/zinc/10/98/77/188109877.db2.gz GOQBRZOWIKUVHM-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154435793 188142398 /nfs/dbraw/zinc/14/23/98/188142398.db2.gz YOGSLWUWKLUCLY-RISCZKNCSA-N 1 0 264.325 2.360 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337226153 366089179 /nfs/dbraw/zinc/08/91/79/366089179.db2.gz QQJUBZXJIMGYHG-CMPLNLGQSA-N 1 0 280.324 2.118 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451239595 282934694 /nfs/dbraw/zinc/93/46/94/282934694.db2.gz WSHDXTWDODCSHM-LBPRGKRZSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074746743 363381862 /nfs/dbraw/zinc/38/18/62/363381862.db2.gz XCIONHOYEIVAEN-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[NH+](CC)CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338299736 366280673 /nfs/dbraw/zinc/28/06/73/366280673.db2.gz GCQRSXQNHCKEEU-UHFFFAOYSA-N 1 0 292.383 2.080 20 5 CEBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000075953713 363499969 /nfs/dbraw/zinc/49/99/69/363499969.db2.gz NQVOVTGIUVXWPE-CYBMUJFWSA-N 1 0 294.351 2.080 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134445242 366324024 /nfs/dbraw/zinc/32/40/24/366324024.db2.gz STTAXEBHAGVCTP-ONGXEEELSA-N 1 0 250.298 2.349 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134454913 366325123 /nfs/dbraw/zinc/32/51/23/366325123.db2.gz QWHMIIGZCULMCQ-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134413226 366320011 /nfs/dbraw/zinc/32/00/11/366320011.db2.gz NINPHYWJMLDTTG-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134550062 366337068 /nfs/dbraw/zinc/33/70/68/366337068.db2.gz FPWNCXPDCRZXGR-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CC(C)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575796466 366360233 /nfs/dbraw/zinc/36/02/33/366360233.db2.gz BPUZEGYALZCGRO-STQMWFEESA-N 1 0 296.367 2.359 20 5 CEBDRO COc1cccc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134913921 366373247 /nfs/dbraw/zinc/37/32/47/366373247.db2.gz FAWCUZHPVMBART-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@H](O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570496713 299259774 /nfs/dbraw/zinc/25/97/74/299259774.db2.gz WWSUQBIGEFEYST-NSHDSACASA-N 1 0 264.325 2.114 20 5 CEBDRO C[C@@]1(F)C[NH2+]CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414770808 236473349 /nfs/dbraw/zinc/47/33/49/236473349.db2.gz PLKYYVCSHQVGFL-CSPWOOARSA-N 1 0 293.342 2.241 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1CC(O)C1 ZINC000578142743 366450811 /nfs/dbraw/zinc/45/08/11/366450811.db2.gz TZJOEPGGHZFORR-MGULZYLOSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415493114 236675986 /nfs/dbraw/zinc/67/59/86/236675986.db2.gz CPTHEIYSHQOJNW-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO Cn1cc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000338708387 366482286 /nfs/dbraw/zinc/48/22/86/366482286.db2.gz OUYHFMBBHHKRJR-XQRVVYSFSA-N 1 0 286.335 2.174 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000341539887 216006006 /nfs/dbraw/zinc/00/60/06/216006006.db2.gz WPPTXZKKBNQSGB-LBPRGKRZSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418131054 237312239 /nfs/dbraw/zinc/31/22/39/237312239.db2.gz HIMIIQREUGBXFK-GFCCVEGCSA-N 1 0 299.321 2.332 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000453112928 283476908 /nfs/dbraw/zinc/47/69/08/283476908.db2.gz UDUZNMLBOOSDKS-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341696609 216070504 /nfs/dbraw/zinc/07/05/04/216070504.db2.gz JYNJEEXETPZMAU-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000338912466 366568438 /nfs/dbraw/zinc/56/84/38/366568438.db2.gz LUIQFIHLLPLIOV-LLVKDONJSA-N 1 0 295.387 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000339036362 366625531 /nfs/dbraw/zinc/62/55/31/366625531.db2.gz IPWHPYOURNCCTA-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000579322005 366626432 /nfs/dbraw/zinc/62/64/32/366626432.db2.gz BWTBAWGBXGCVBN-LLVKDONJSA-N 1 0 293.367 2.155 20 5 CEBDRO CC(=O)c1cc(N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000579388494 366640052 /nfs/dbraw/zinc/64/00/52/366640052.db2.gz VNFHJRCCJRLNMT-MNOVXSKESA-N 1 0 291.351 2.326 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000339114857 366659610 /nfs/dbraw/zinc/65/96/10/366659610.db2.gz SFTFJOFFCHBIJF-GFCCVEGCSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949605 366679708 /nfs/dbraw/zinc/67/97/08/366679708.db2.gz QJJLLQBSMPCADG-MWLCHTKSSA-N 1 0 252.314 2.325 20 5 CEBDRO COCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000081714588 363737076 /nfs/dbraw/zinc/73/70/76/363737076.db2.gz JEQOJLANQFDLSV-SNVBAGLBSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000453407205 283558504 /nfs/dbraw/zinc/55/85/04/283558504.db2.gz LWUAYKPKKYMLMX-MPKXVKKWSA-N 1 0 264.325 2.029 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375291 189111660 /nfs/dbraw/zinc/11/16/60/189111660.db2.gz GIRCRGOVCHFTOZ-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO COCCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178632399 189132620 /nfs/dbraw/zinc/13/26/20/189132620.db2.gz QGQIYSFMXAUWNB-LBPRGKRZSA-N 1 0 282.340 2.217 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342226813 216269083 /nfs/dbraw/zinc/26/90/83/216269083.db2.gz OGHNJDXRJYBJCE-JTQLQIEISA-N 1 0 258.343 2.010 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000180623571 189266278 /nfs/dbraw/zinc/26/62/78/189266278.db2.gz KDRXTHXKROQLGC-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000183252481 189352372 /nfs/dbraw/zinc/35/23/72/189352372.db2.gz DSDRJXMYFVTGNU-NNQSOWQGSA-N 1 0 276.336 2.391 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183700436 189366063 /nfs/dbraw/zinc/36/60/63/189366063.db2.gz YOUKPXZUVNNTKV-KBPBESRZSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000301935778 201268775 /nfs/dbraw/zinc/26/87/75/201268775.db2.gz PMWAKLYLZARLBZ-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO Cc1cc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000302021264 201303659 /nfs/dbraw/zinc/30/36/59/201303659.db2.gz NXIVCGCJNKQHSS-UHFFFAOYSA-N 1 0 251.330 2.291 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1sccc1[N+](=O)[O-] ZINC000302048696 201318465 /nfs/dbraw/zinc/31/84/65/201318465.db2.gz ZIPUFRYODHYCPN-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO Cc1nn(C)c(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302111749 201345579 /nfs/dbraw/zinc/34/55/79/201345579.db2.gz AXVJISBUABZFBD-LLVKDONJSA-N 1 0 295.387 2.313 20 5 CEBDRO C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000084440091 363810942 /nfs/dbraw/zinc/81/09/42/363810942.db2.gz MBNBPYQGAJCIIS-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000088147698 363878870 /nfs/dbraw/zinc/87/88/70/363878870.db2.gz XXJSTQSYZJPBAS-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000088147802 363879055 /nfs/dbraw/zinc/87/90/55/363879055.db2.gz GUWCNKWJSVGGMD-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188836109 189514877 /nfs/dbraw/zinc/51/48/77/189514877.db2.gz ICNRHOLIEARQQT-YPMHNXCESA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000356444299 370714023 /nfs/dbraw/zinc/71/40/23/370714023.db2.gz YBUSUTAREOXOIQ-UHFFFAOYSA-N 1 0 283.291 2.108 20 5 CEBDRO CCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000093313760 364161212 /nfs/dbraw/zinc/16/12/12/364161212.db2.gz OJZZKEDWARATBN-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)cc([N+](=O)[O-])c1 ZINC000237721220 370748349 /nfs/dbraw/zinc/74/83/49/370748349.db2.gz MVSURXPOXBJEAU-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942058 364309941 /nfs/dbraw/zinc/30/99/41/364309941.db2.gz KPRNKAUPBLXSPJ-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000111384375 364732372 /nfs/dbraw/zinc/73/23/72/364732372.db2.gz QDSBEGWZVSQJKT-OWNNVSBGSA-N 1 0 264.325 2.359 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851265 364850706 /nfs/dbraw/zinc/85/07/06/364850706.db2.gz YXTNWGIKIYWSKF-CYBMUJFWSA-N 1 0 277.324 2.408 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000113364670 364890060 /nfs/dbraw/zinc/89/00/60/364890060.db2.gz NVZSNTOFFBQRIW-NSHDSACASA-N 1 0 292.339 2.010 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000113308465 364887908 /nfs/dbraw/zinc/88/79/08/364887908.db2.gz GJHSNMXZNXKRHL-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000113310332 364887921 /nfs/dbraw/zinc/88/79/21/364887921.db2.gz JQPUCJPIQXDMPE-UHFFFAOYSA-N 1 0 282.340 2.244 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000572212310 299352851 /nfs/dbraw/zinc/35/28/51/299352851.db2.gz QHADFEJDCVNZGT-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000245409867 370815882 /nfs/dbraw/zinc/81/58/82/370815882.db2.gz OIKPOUMMRVKMRB-MBNYWOFBSA-N 1 0 278.356 2.444 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000582823774 366961351 /nfs/dbraw/zinc/96/13/51/366961351.db2.gz IKEMKFZHVFCJDN-ZDUSSCGKSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000161431195 367086688 /nfs/dbraw/zinc/08/66/88/367086688.db2.gz NDYCOAVLOYXGDY-WCQYABFASA-N 1 0 266.345 2.350 20 5 CEBDRO Cc1nn(C)c(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000357969047 370856410 /nfs/dbraw/zinc/85/64/10/370856410.db2.gz YXQNGNSBZKRQAO-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245577713 370843439 /nfs/dbraw/zinc/84/34/39/370843439.db2.gz GVIZFGGQNBZOCA-TZMCWYRMSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163486277 367243739 /nfs/dbraw/zinc/24/37/39/367243739.db2.gz LLISDLAQLODBQN-FDMGOTLNSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512818 367354697 /nfs/dbraw/zinc/35/46/97/367354697.db2.gz BCTSYEQMDGZFFD-JJQCHNSYSA-N 1 0 270.354 2.012 20 5 CEBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000171056974 367468745 /nfs/dbraw/zinc/46/87/45/367468745.db2.gz MQRQQVDBIQNXSI-UHFFFAOYSA-N 1 0 279.340 2.288 20 5 CEBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358010186 370868909 /nfs/dbraw/zinc/86/89/09/370868909.db2.gz DUTRAGFAVLWESR-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173358661 367902527 /nfs/dbraw/zinc/90/25/27/367902527.db2.gz QMVYQSNBWNPCMH-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(F)c1 ZINC000176203417 368211253 /nfs/dbraw/zinc/21/12/53/368211253.db2.gz WTXZOYVVDMDHOU-UHFFFAOYSA-N 1 0 296.277 2.202 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000181869799 368503363 /nfs/dbraw/zinc/50/33/63/368503363.db2.gz XKCVTZQOXVLBNV-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000346235068 368601317 /nfs/dbraw/zinc/60/13/17/368601317.db2.gz XLEBUQAZNAOVSH-LLVKDONJSA-N 1 0 293.367 2.398 20 5 CEBDRO COc1cc(C[NH2+]C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000184266092 368684398 /nfs/dbraw/zinc/68/43/98/368684398.db2.gz JLQMEXPTVRLXRQ-UHFFFAOYSA-N 1 0 298.314 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000346691441 368773294 /nfs/dbraw/zinc/77/32/94/368773294.db2.gz VTADSICAQXJYSP-NWDGAFQWSA-N 1 0 263.341 2.085 20 5 CEBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000348329860 369006238 /nfs/dbraw/zinc/00/62/38/369006238.db2.gz ZHZZTDOXMKYORJ-UHFFFAOYSA-N 1 0 280.353 2.378 20 5 CEBDRO CC1(CO)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000186905426 369065948 /nfs/dbraw/zinc/06/59/48/369065948.db2.gz ILZKJNJYJXGGNI-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000572783708 299399740 /nfs/dbraw/zinc/39/97/40/299399740.db2.gz UCWPUTKPCZTWMG-QWRGUYRKSA-N 1 0 279.340 2.031 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000276167068 193231366 /nfs/dbraw/zinc/23/13/66/193231366.db2.gz FMWPWKACVZUXBS-UHFFFAOYSA-N 1 0 285.369 2.070 20 5 CEBDRO C[C@@H](CCNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCCC1 ZINC000343788768 216916340 /nfs/dbraw/zinc/91/63/40/216916340.db2.gz BFQVGDBAEWKKCA-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358269285 370984682 /nfs/dbraw/zinc/98/46/82/370984682.db2.gz URRDHFLWKDXZNP-LBPRGKRZSA-N 1 0 266.345 2.302 20 5 CEBDRO C[NH+]1CCC(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351152957 369614556 /nfs/dbraw/zinc/61/45/56/369614556.db2.gz XWTSEOZADDRVLM-UHFFFAOYSA-N 1 0 292.295 2.122 20 5 CEBDRO Cn1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571781 369790407 /nfs/dbraw/zinc/79/04/07/369790407.db2.gz ZAAFKJLQKWAXQT-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352706864 369847886 /nfs/dbraw/zinc/84/78/86/369847886.db2.gz PCFIZBNBPOXFGN-AWEZNQCLSA-N 1 0 294.351 2.244 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193501382 369949402 /nfs/dbraw/zinc/94/94/02/369949402.db2.gz GACFOIGIQHCUQO-QWHCGFSZSA-N 1 0 292.335 2.335 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193620234 369963970 /nfs/dbraw/zinc/96/39/70/369963970.db2.gz GKLHEHNWVDRZLF-MFKMUULPSA-N 1 0 291.351 2.028 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC000353086854 370013387 /nfs/dbraw/zinc/01/33/87/370013387.db2.gz MPROJLNKTLEXIY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353115753 370023878 /nfs/dbraw/zinc/02/38/78/370023878.db2.gz MEUYHMJXFOWDBI-CYBMUJFWSA-N 1 0 264.325 2.011 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000194632760 370060011 /nfs/dbraw/zinc/06/00/11/370060011.db2.gz DQNXTIRWIXQOJG-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219298701 370222273 /nfs/dbraw/zinc/22/22/73/370222273.db2.gz HJZNQTLABOPXQN-RYUDHWBXSA-N 1 0 262.313 2.029 20 5 CEBDRO COc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000225790434 370319426 /nfs/dbraw/zinc/31/94/26/370319426.db2.gz YPRKSXPHKLQXMY-NSHDSACASA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccnc(NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227116179 370360958 /nfs/dbraw/zinc/36/09/58/370360958.db2.gz UXJARFYREPHHLE-SNVBAGLBSA-N 1 0 264.329 2.193 20 5 CEBDRO CCC[C@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000227502937 370372058 /nfs/dbraw/zinc/37/20/58/370372058.db2.gz YHESHMAAQOZILT-HNNXBMFYSA-N 1 0 296.367 2.425 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226598856 370348603 /nfs/dbraw/zinc/34/86/03/370348603.db2.gz WONIJSKHFRHKHI-TVYUQYBPSA-N 1 0 264.325 2.405 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591468 370407742 /nfs/dbraw/zinc/40/77/42/370407742.db2.gz FATYDUDPFQLRBJ-KOLCDFICSA-N 1 0 252.314 2.010 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230376381 370458378 /nfs/dbraw/zinc/45/83/78/370458378.db2.gz KLHPNEUYWHTLES-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCC[C@@H]([NH2+][C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233296226 370518134 /nfs/dbraw/zinc/51/81/34/370518134.db2.gz LFISWJAEKICBCP-TZMCWYRMSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000235761708 370577317 /nfs/dbraw/zinc/57/73/17/370577317.db2.gz DPSKWYTVUQZIDF-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCN1CC=CCC1 ZINC000355527604 370587611 /nfs/dbraw/zinc/58/76/11/370587611.db2.gz GHLANAULZQTBPV-VURMDHGXSA-N 1 0 287.363 2.460 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000236413216 370588711 /nfs/dbraw/zinc/58/87/11/370588711.db2.gz DLACHQGMUQUWKS-CABCVRRESA-N 1 0 276.336 2.294 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438185 203844905 /nfs/dbraw/zinc/84/49/05/203844905.db2.gz DCIYLBUUPLXYBC-IINYFYTJSA-N 1 0 289.335 2.009 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246947248 371035193 /nfs/dbraw/zinc/03/51/93/371035193.db2.gz NTYSCEUJNDDFMZ-ZIAGYGMSSA-N 1 0 294.376 2.301 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358409872 371055126 /nfs/dbraw/zinc/05/51/26/371055126.db2.gz JKOMHBSZBFBOLM-LLVKDONJSA-N 1 0 291.351 2.458 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247160110 371072028 /nfs/dbraw/zinc/07/20/28/371072028.db2.gz ALFOTILTWYIXPF-BXUZGUMPSA-N 1 0 291.351 2.007 20 5 CEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000247321971 371092732 /nfs/dbraw/zinc/09/27/32/371092732.db2.gz MAEQADZPVHCGLU-UHFFFAOYSA-N 1 0 291.351 2.201 20 5 CEBDRO COc1cccc(N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000358654266 371157923 /nfs/dbraw/zinc/15/79/23/371157923.db2.gz SRQNRYJFBOADHD-QWRGUYRKSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000248502995 371203044 /nfs/dbraw/zinc/20/30/44/371203044.db2.gz UQPBCDLSYGIUIA-HGXZOFBTSA-N 1 0 284.381 2.321 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccncc1[N+](=O)[O-] ZINC000360997838 371587962 /nfs/dbraw/zinc/58/79/62/371587962.db2.gz XEIUGCKBMBXIEK-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361060604 371627230 /nfs/dbraw/zinc/62/72/30/371627230.db2.gz MRRZSSAFXMEUOE-ZDUSSCGKSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000361352872 371801075 /nfs/dbraw/zinc/80/10/75/371801075.db2.gz RLBCSHVSNAUDFK-CQSZACIVSA-N 1 0 290.363 2.421 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262110967 371825764 /nfs/dbraw/zinc/82/57/64/371825764.db2.gz WKECIAIVBOZPIP-WMHVBEDNSA-N 1 0 287.363 2.293 20 5 CEBDRO Cc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000267052774 372056439 /nfs/dbraw/zinc/05/64/39/372056439.db2.gz OFKHCBQAILAGLC-CYBMUJFWSA-N 1 0 273.336 2.354 20 5 CEBDRO CC[N@H+]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000344205622 217099544 /nfs/dbraw/zinc/09/95/44/217099544.db2.gz DGGJBFOLHZOAQQ-FZMZJTMJSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237567021 189881982 /nfs/dbraw/zinc/88/19/82/189881982.db2.gz OSMJYYZBWPQOMF-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000269200298 372375195 /nfs/dbraw/zinc/37/51/95/372375195.db2.gz ZAPFXNPMRHUVHC-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO COc1ccc(C[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000269304346 372414250 /nfs/dbraw/zinc/41/42/50/372414250.db2.gz TVMOERZCOJZUCY-UHFFFAOYSA-N 1 0 278.308 2.040 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269391793 372439089 /nfs/dbraw/zinc/43/90/89/372439089.db2.gz SIOPILXCRPMGNU-VIFPVBQESA-N 1 0 284.747 2.031 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000365908657 372952642 /nfs/dbraw/zinc/95/26/42/372952642.db2.gz PJAGYPVSUARLPT-GFCCVEGCSA-N 1 0 287.323 2.093 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272068298 373290745 /nfs/dbraw/zinc/29/07/45/373290745.db2.gz DWAQICWQZAFHBA-FZMZJTMJSA-N 1 0 293.367 2.358 20 5 CEBDRO CN(C)C(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000573621871 299446175 /nfs/dbraw/zinc/44/61/75/299446175.db2.gz PBWOWUXZZVJELA-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO Cc1cnc(N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272652817 373602583 /nfs/dbraw/zinc/60/25/83/373602583.db2.gz AVLMISLQEHEWAK-NSHDSACASA-N 1 0 276.340 2.361 20 5 CEBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000371000356 373770517 /nfs/dbraw/zinc/77/05/17/373770517.db2.gz VJBWJLBJNKARTC-CQSZACIVSA-N 1 0 294.351 2.129 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000274102358 373811917 /nfs/dbraw/zinc/81/19/17/373811917.db2.gz UWVQVBSSIKVONN-NWDGAFQWSA-N 1 0 294.351 2.315 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276841073 374321791 /nfs/dbraw/zinc/32/17/91/374321791.db2.gz CICCSHAHTVXPLQ-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO CCOc1cc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000276854732 374325462 /nfs/dbraw/zinc/32/54/62/374325462.db2.gz FGJVAUDXQXBKCV-TZMCWYRMSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(CN2CCOCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000373326713 374328322 /nfs/dbraw/zinc/32/83/22/374328322.db2.gz VAZQPDNRVBNFCO-JTQLQIEISA-N 1 0 298.314 2.353 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000277299487 374469565 /nfs/dbraw/zinc/46/95/65/374469565.db2.gz CGSAQJHPZMQWJQ-GWCFXTLKSA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374541724 374595506 /nfs/dbraw/zinc/59/55/06/374595506.db2.gz PNXSECSAZSXYOF-CYBMUJFWSA-N 1 0 286.335 2.273 20 5 CEBDRO CC[N@H+](C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277993364 374701917 /nfs/dbraw/zinc/70/19/17/374701917.db2.gz NJSCLYOQWZVEKQ-UHFFFAOYSA-N 1 0 299.758 2.238 20 5 CEBDRO CNC(=O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278377351 374796152 /nfs/dbraw/zinc/79/61/52/374796152.db2.gz CVDAQEXCWAMJQR-AWEZNQCLSA-N 1 0 291.351 2.088 20 5 CEBDRO C[N@H+]1CC=C(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278403330 374807009 /nfs/dbraw/zinc/80/70/09/374807009.db2.gz GXPVETMASWMMDI-UHFFFAOYSA-N 1 0 287.323 2.145 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000573853646 299462400 /nfs/dbraw/zinc/46/24/00/299462400.db2.gz NBMCUPZKNBHKRE-WFASDCNBSA-N 1 0 296.367 2.360 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000377770399 374948270 /nfs/dbraw/zinc/94/82/70/374948270.db2.gz DQZRVNPGTSUWSB-DGCLKSJQSA-N 1 0 289.335 2.068 20 5 CEBDRO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386129303 375253190 /nfs/dbraw/zinc/25/31/90/375253190.db2.gz OGZSUTBPDFHFKR-IUODEOHRSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000384669828 375214055 /nfs/dbraw/zinc/21/40/55/375214055.db2.gz XSBAOQXRHHAFCJ-UHIISALHSA-N 1 0 280.324 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000389671753 375306305 /nfs/dbraw/zinc/30/63/05/375306305.db2.gz FIPHHEBWGDYGLX-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000408358354 375460470 /nfs/dbraw/zinc/46/04/70/375460470.db2.gz OEKOGDXQEGJLCZ-SNVBAGLBSA-N 1 0 297.380 2.069 20 5 CEBDRO Cn1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282469079 375493228 /nfs/dbraw/zinc/49/32/28/375493228.db2.gz NOWBRUKRUQOAIS-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253974 321883201 /nfs/dbraw/zinc/88/32/01/321883201.db2.gz YNWPREJIFYHTKF-HZMBPMFUSA-N 1 0 264.325 2.498 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000414653392 375902825 /nfs/dbraw/zinc/90/28/25/375902825.db2.gz FGMJAIGHUSYEHY-SNVBAGLBSA-N 1 0 280.328 2.152 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286428152 375950642 /nfs/dbraw/zinc/95/06/42/375950642.db2.gz IRGJOQMGMSNDMM-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO CN(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287096310 376150124 /nfs/dbraw/zinc/15/01/24/376150124.db2.gz PTTGUGPUDQPTQN-AWEZNQCLSA-N 1 0 277.368 2.067 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000287359572 376214627 /nfs/dbraw/zinc/21/46/27/376214627.db2.gz LUTNWRUTQLZEKR-SNVBAGLBSA-N 1 0 297.311 2.096 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000289754881 376482473 /nfs/dbraw/zinc/48/24/73/376482473.db2.gz VBYMTWYVOANOMF-SNVBAGLBSA-N 1 0 293.371 2.182 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305814775 376502042 /nfs/dbraw/zinc/50/20/42/376502042.db2.gz JNUFIUFSZLQICG-TZMCWYRMSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000305842147 376516533 /nfs/dbraw/zinc/51/65/33/376516533.db2.gz RKAXHACREKBHLT-AWEZNQCLSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264107316 190091602 /nfs/dbraw/zinc/09/16/02/190091602.db2.gz PYYAWATYCZZRJP-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000311402063 376668675 /nfs/dbraw/zinc/66/86/75/376668675.db2.gz GETKKNZSBMGLBF-LLVKDONJSA-N 1 0 266.345 2.439 20 5 CEBDRO COC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310916384 376644816 /nfs/dbraw/zinc/64/48/16/376644816.db2.gz GGTKIHLVPOFQEW-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000311042209 376649834 /nfs/dbraw/zinc/64/98/34/376649834.db2.gz FEGIFYUDGWYHRE-LLVKDONJSA-N 1 0 256.277 2.249 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420243393 376652841 /nfs/dbraw/zinc/65/28/41/376652841.db2.gz XEMVGGPPTRZQEE-NEPJUHHUSA-N 1 0 286.335 2.247 20 5 CEBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602387 376678311 /nfs/dbraw/zinc/67/83/11/376678311.db2.gz CVWUROPSTUSCJR-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1ccnc(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000311909187 376692586 /nfs/dbraw/zinc/69/25/86/376692586.db2.gz HDMHUWSBJBLJKC-NSHDSACASA-N 1 0 266.345 2.439 20 5 CEBDRO CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422938564 376868091 /nfs/dbraw/zinc/86/80/91/376868091.db2.gz HEQLQKIVOMRXSB-KBPBESRZSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000562743694 376991568 /nfs/dbraw/zinc/99/15/68/376991568.db2.gz QZJKFONGPUSCDR-UHFFFAOYSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000290974741 377011238 /nfs/dbraw/zinc/01/12/38/377011238.db2.gz UNNVBFKMIXIMDY-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563170384 377113563 /nfs/dbraw/zinc/11/35/63/377113563.db2.gz QYUJDXCNYUDBGH-GHMZBOCLSA-N 1 0 279.340 2.067 20 5 CEBDRO C[NH2+]C[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267012 377183855 /nfs/dbraw/zinc/18/38/55/377183855.db2.gz DOIGTKQCANKYLS-GHMZBOCLSA-N 1 0 251.330 2.101 20 5 CEBDRO C[NH2+]C[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267016 377184589 /nfs/dbraw/zinc/18/45/89/377184589.db2.gz DOIGTKQCANKYLS-QWRGUYRKSA-N 1 0 251.330 2.101 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000291731520 377207729 /nfs/dbraw/zinc/20/77/29/377207729.db2.gz AOTWWZJJTIIUNA-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1c([C@H](C)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278399 377204873 /nfs/dbraw/zinc/20/48/73/377204873.db2.gz PVQFFDSHPOEFOB-GWCFXTLKSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ncn1 ZINC000292845564 377310546 /nfs/dbraw/zinc/31/05/46/377310546.db2.gz NMPRSVXSTJEPKY-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292875265 377326888 /nfs/dbraw/zinc/32/68/88/377326888.db2.gz WYYZTERURLYKAU-JRCXTIHVSA-N 1 0 276.336 2.453 20 5 CEBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331133931 377296910 /nfs/dbraw/zinc/29/69/10/377296910.db2.gz RHNSPNWJRPTUNS-AAEUAGOBSA-N 1 0 296.371 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564970547 377517766 /nfs/dbraw/zinc/51/77/66/377517766.db2.gz GGIZIKKPAUEHJH-UWVGGRQHSA-N 1 0 280.328 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1 ZINC000332234390 377549414 /nfs/dbraw/zinc/54/94/14/377549414.db2.gz PLHGXVBLOCOLKE-JKOKRWQUSA-N 1 0 294.326 2.327 20 5 CEBDRO COc1ccc(C[NH2+]Cc2cccn2C)cc1[N+](=O)[O-] ZINC000265643936 190196071 /nfs/dbraw/zinc/19/60/71/190196071.db2.gz KBYQTQOWFGTAKA-UHFFFAOYSA-N 1 0 275.308 2.232 20 5 CEBDRO CC(C)(C)CC[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236610597 249343417 /nfs/dbraw/zinc/34/34/17/249343417.db2.gz NZWXDIOYJDAXJG-ZIAGYGMSSA-N 1 0 296.367 2.015 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC[NH+]1CCCC1 ZINC000565221570 377615992 /nfs/dbraw/zinc/61/59/92/377615992.db2.gz KCBDHNMHXNXUTD-UHFFFAOYSA-N 1 0 265.313 2.111 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000313123530 249385483 /nfs/dbraw/zinc/38/54/83/249385483.db2.gz WIRZTCLUJCGJCO-CHWSQXEVSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332687715 377669393 /nfs/dbraw/zinc/66/93/93/377669393.db2.gz UTKXYUVCYKQJRR-UWVGGRQHSA-N 1 0 252.318 2.091 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000450282349 378339229 /nfs/dbraw/zinc/33/92/29/378339229.db2.gz HDNLRVOXZIZRTO-OAHLLOKOSA-N 1 0 294.351 2.221 20 5 CEBDRO C[C@H](O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450497907 378450979 /nfs/dbraw/zinc/45/09/79/378450979.db2.gz GYZJDSQOWSVEIS-NSHDSACASA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450790471 378581630 /nfs/dbraw/zinc/58/16/30/378581630.db2.gz KUNCEVQKFRCNKB-BETUJISGSA-N 1 0 291.351 2.178 20 5 CEBDRO CC[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000298483833 378740988 /nfs/dbraw/zinc/74/09/88/378740988.db2.gz VMTDLLZYCFXZMR-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110179 378710307 /nfs/dbraw/zinc/71/03/07/378710307.db2.gz ZXNQWZOOWWNPDA-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453086446 378798076 /nfs/dbraw/zinc/79/80/76/378798076.db2.gz LGALGOUTKHYQCY-LBPRGKRZSA-N 1 0 294.351 2.269 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337664 378866460 /nfs/dbraw/zinc/86/64/60/378866460.db2.gz ZRIGWMVVYAPXHX-RYUDHWBXSA-N 1 0 291.351 2.175 20 5 CEBDRO CCC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278516423 194021924 /nfs/dbraw/zinc/02/19/24/194021924.db2.gz RYIGQXVMVRDDJT-UHFFFAOYSA-N 1 0 289.339 2.003 20 5 CEBDRO CC[N@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000299126482 378908892 /nfs/dbraw/zinc/90/88/92/378908892.db2.gz JLAQSJYMDUJCRU-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143220 378915918 /nfs/dbraw/zinc/91/59/18/378915918.db2.gz MKYNWPMDSNAMHO-MNOVXSKESA-N 1 0 295.339 2.038 20 5 CEBDRO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000347044555 218102230 /nfs/dbraw/zinc/10/22/30/218102230.db2.gz NFQOWXCTCRJRBU-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000347268120 218175139 /nfs/dbraw/zinc/17/51/39/218175139.db2.gz JXGBVLYLESVUQS-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000347371263 218210062 /nfs/dbraw/zinc/21/00/62/218210062.db2.gz JQNYWFGQYZQJMR-CUXKMMBLSA-N 1 0 288.347 2.455 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301169754 379211165 /nfs/dbraw/zinc/21/11/65/379211165.db2.gz DGLRVHJDUSEIRP-NSHDSACASA-N 1 0 276.340 2.419 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000517030488 379336281 /nfs/dbraw/zinc/33/62/81/379336281.db2.gz VIABUTPWIQPPPA-LLVKDONJSA-N 1 0 297.330 2.159 20 5 CEBDRO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000520638161 379497625 /nfs/dbraw/zinc/49/76/25/379497625.db2.gz PYMUZULTBSBOOS-JTQLQIEISA-N 1 0 277.324 2.184 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000266913264 190290241 /nfs/dbraw/zinc/29/02/41/190290241.db2.gz DVHPRUVCZOKFLA-JTQLQIEISA-N 1 0 291.351 2.314 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000347664418 218312853 /nfs/dbraw/zinc/31/28/53/218312853.db2.gz DVLOMKNGIPIOFC-UHFFFAOYSA-N 1 0 278.308 2.170 20 5 CEBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267115215 190304663 /nfs/dbraw/zinc/30/46/63/190304663.db2.gz YQXCFBHQFKZSNA-UHFFFAOYSA-N 1 0 274.324 2.316 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897577 380288443 /nfs/dbraw/zinc/28/84/43/380288443.db2.gz KLLODYKJAMDSIF-WCQYABFASA-N 1 0 282.340 2.215 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491874863 380368667 /nfs/dbraw/zinc/36/86/67/380368667.db2.gz WXXQJHIOBKYULQ-YFHOEESVSA-N 1 0 291.351 2.066 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000492820686 380699621 /nfs/dbraw/zinc/69/96/21/380699621.db2.gz WONHODYGTYSKOM-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555306157 380821422 /nfs/dbraw/zinc/82/14/22/380821422.db2.gz LICXOODHWNWGGJ-GFCCVEGCSA-N 1 0 293.367 2.155 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000350340399 219009807 /nfs/dbraw/zinc/00/98/07/219009807.db2.gz DLHFSSNZAJSTDN-ZDUSSCGKSA-N 1 0 270.304 2.495 20 5 CEBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659502 285240435 /nfs/dbraw/zinc/24/04/35/285240435.db2.gz HFRRIRCMJNFQGN-TVQRCGJNSA-N 1 0 279.340 2.253 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015164121 394466601 /nfs/dbraw/zinc/46/66/01/394466601.db2.gz ZKNRVLBAZASQTI-NSHDSACASA-N 1 0 294.311 2.399 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000232956303 394481214 /nfs/dbraw/zinc/48/12/14/394481214.db2.gz WBDHKMHNEHRVTN-LBPRGKRZSA-N 1 0 277.324 2.312 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000042104945 394501717 /nfs/dbraw/zinc/50/17/17/394501717.db2.gz QISSSZQDMQFCGE-UHFFFAOYSA-N 1 0 297.384 2.446 20 5 CEBDRO CON1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000421400826 394524447 /nfs/dbraw/zinc/52/44/47/394524447.db2.gz SLDYNHGARARCMK-UHFFFAOYSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1c(C[NH2+]C(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000308630232 394529074 /nfs/dbraw/zinc/52/90/74/394529074.db2.gz CLVXTIGHTKWOCX-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000355782138 394530499 /nfs/dbraw/zinc/53/04/99/394530499.db2.gz DPUGATNWQWSLGR-IJLUTSLNSA-N 1 0 266.345 2.158 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622394 394604095 /nfs/dbraw/zinc/60/40/95/394604095.db2.gz UUXZFLMXAIOQSM-MJVIPROJSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261947271 394610180 /nfs/dbraw/zinc/61/01/80/394610180.db2.gz FMKWYCQJISSDGE-NEPJUHHUSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075781037 394612798 /nfs/dbraw/zinc/61/27/98/394612798.db2.gz VHJWBFMZWPBBIA-MNOVXSKESA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356853622 394631606 /nfs/dbraw/zinc/63/16/06/394631606.db2.gz SJVPJBLCDAHOSC-WCQYABFASA-N 1 0 264.325 2.500 20 5 CEBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000264234765 394635118 /nfs/dbraw/zinc/63/51/18/394635118.db2.gz YTQLPKCJMGGEFC-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)n1 ZINC000359095871 394740905 /nfs/dbraw/zinc/74/09/05/394740905.db2.gz KKLJFUTYOIMMAU-NWDGAFQWSA-N 1 0 278.356 2.135 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000357041637 394690384 /nfs/dbraw/zinc/69/03/84/394690384.db2.gz PEUFHTWYQWPOGE-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422570489 394713645 /nfs/dbraw/zinc/71/36/45/394713645.db2.gz GUSNNDBMNVNHFL-UHFFFAOYSA-N 1 0 294.355 2.461 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000269714919 394721668 /nfs/dbraw/zinc/72/16/68/394721668.db2.gz RPNFSUZUUQTEII-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO CC(C)c1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422775649 394775379 /nfs/dbraw/zinc/77/53/79/394775379.db2.gz AZASBJHHFDEFOY-SNVBAGLBSA-N 1 0 279.340 2.185 20 5 CEBDRO C[C@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422778592 394777355 /nfs/dbraw/zinc/77/73/55/394777355.db2.gz ATVSHZVMSUQOCE-JSGCOSHPSA-N 1 0 277.368 2.258 20 5 CEBDRO COc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865147 394777966 /nfs/dbraw/zinc/77/79/66/394777966.db2.gz YYQUVDPMZMDRQD-WCQYABFASA-N 1 0 293.367 2.081 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422788168 394785775 /nfs/dbraw/zinc/78/57/75/394785775.db2.gz SFNZQLOAHKSTNT-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414912875 394801237 /nfs/dbraw/zinc/80/12/37/394801237.db2.gz YUYBGRGNTZHHPY-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@]1(CNCc2csc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414915182 394801510 /nfs/dbraw/zinc/80/15/10/394801510.db2.gz YXLAYSVRGBACSM-LBPRGKRZSA-N 1 0 269.370 2.136 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931550 394808905 /nfs/dbraw/zinc/80/89/05/394808905.db2.gz USKPHKPVSIJILM-GHMZBOCLSA-N 1 0 267.304 2.093 20 5 CEBDRO Cc1c(OCC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000122567073 394814634 /nfs/dbraw/zinc/81/46/34/394814634.db2.gz BHHBYVMYNGSYHK-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414943964 394815402 /nfs/dbraw/zinc/81/54/02/394815402.db2.gz FZXLZELWRMJHJO-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422848289 394826648 /nfs/dbraw/zinc/82/66/48/394826648.db2.gz JMYHJIAUMKVIJC-GFCCVEGCSA-N 1 0 293.367 2.233 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]([NH3+])C(C)C ZINC000128479678 394854554 /nfs/dbraw/zinc/85/45/54/394854554.db2.gz YODFHLQQTISNJQ-AWEZNQCLSA-N 1 0 295.383 2.409 20 5 CEBDRO Cc1c([C@H](C)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339167 394890600 /nfs/dbraw/zinc/89/06/00/394890600.db2.gz ZHONLOPBQDSKDX-GWCFXTLKSA-N 1 0 263.341 2.291 20 5 CEBDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150618 394911024 /nfs/dbraw/zinc/91/10/24/394911024.db2.gz CRJFBAMCXZNDGM-GIGQVBGESA-N 1 0 282.365 2.157 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423394524 394913655 /nfs/dbraw/zinc/91/36/55/394913655.db2.gz ZWMFNBLIYWOLEU-MNOVXSKESA-N 1 0 251.330 2.243 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCC1 ZINC000415478022 394935989 /nfs/dbraw/zinc/93/59/89/394935989.db2.gz CCEOWTDFDKVLQF-UHFFFAOYSA-N 1 0 292.339 2.215 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415499674 394938326 /nfs/dbraw/zinc/93/83/26/394938326.db2.gz KILPAPIQNQEEGN-UHFFFAOYSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415499184 394938544 /nfs/dbraw/zinc/93/85/44/394938544.db2.gz JSQCNMQQRGNTGK-QWRGUYRKSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000415505470 394939047 /nfs/dbraw/zinc/93/90/47/394939047.db2.gz QHLLHTHLAXQQBR-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415504850 394939127 /nfs/dbraw/zinc/93/91/27/394939127.db2.gz PQNWRJQDJMZCLF-ZANVPECISA-N 1 0 292.339 2.023 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636142 394950098 /nfs/dbraw/zinc/95/00/98/394950098.db2.gz WSHFZLCVNUGMPK-CYBMUJFWSA-N 1 0 298.318 2.229 20 5 CEBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000423834275 394997942 /nfs/dbraw/zinc/99/79/42/394997942.db2.gz CLZOSMOBLRODEX-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286504330 395023519 /nfs/dbraw/zinc/02/35/19/395023519.db2.gz YLTYDENLAFAHSQ-JSGCOSHPSA-N 1 0 290.367 2.361 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH3+] ZINC000415762276 394961276 /nfs/dbraw/zinc/96/12/76/394961276.db2.gz MPASLFNFEXZWQP-UHFFFAOYSA-N 1 0 280.328 2.016 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CCC2)CC1 ZINC000367539316 394964827 /nfs/dbraw/zinc/96/48/27/394964827.db2.gz YOLMLVHVFKCMBR-UHFFFAOYSA-N 1 0 264.329 2.094 20 5 CEBDRO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000288341981 395058130 /nfs/dbraw/zinc/05/81/30/395058130.db2.gz IRCUAJDPNJFMFZ-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055344 395062133 /nfs/dbraw/zinc/06/21/33/395062133.db2.gz YQKGEWCTNXFIKS-GVXVVHGQSA-N 1 0 262.309 2.182 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132210 395093205 /nfs/dbraw/zinc/09/32/05/395093205.db2.gz ANGCNMZMWCDNCV-KBPBESRZSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455508 395039107 /nfs/dbraw/zinc/03/91/07/395039107.db2.gz JDTSJYKZOIWQFY-DTWKUNHWSA-N 1 0 295.368 2.199 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C)C1 ZINC000158292366 395042517 /nfs/dbraw/zinc/04/25/17/395042517.db2.gz XASKCWMTIHNTPV-UHFFFAOYSA-N 1 0 250.298 2.492 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000178639864 395171282 /nfs/dbraw/zinc/17/12/82/395171282.db2.gz AROXDDAJWPTFOL-SNVBAGLBSA-N 1 0 279.340 2.208 20 5 CEBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000291845253 395172287 /nfs/dbraw/zinc/17/22/87/395172287.db2.gz MATZNYSDWRFBCB-QMMMGPOBSA-N 1 0 273.283 2.483 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420274348 395288927 /nfs/dbraw/zinc/28/89/27/395288927.db2.gz FRWBQJXMUJUXGL-MNOVXSKESA-N 1 0 281.360 2.049 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000408172153 395293292 /nfs/dbraw/zinc/29/32/92/395293292.db2.gz SJYYCRSIZQEYSQ-CHWSQXEVSA-N 1 0 290.367 2.280 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+]1C ZINC000420628608 395393414 /nfs/dbraw/zinc/39/34/14/395393414.db2.gz BGGZAVIXMWNYPZ-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420635227 395395903 /nfs/dbraw/zinc/39/59/03/395395903.db2.gz LOBWEWWWGQONQI-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190341991 395338919 /nfs/dbraw/zinc/33/89/19/395338919.db2.gz SAPGAQLKTFKBST-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704460 395447784 /nfs/dbraw/zinc/44/77/84/395447784.db2.gz LISDTMVQFZIBIA-LKFCYVNXSA-N 1 0 290.323 2.128 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000568107703 395548971 /nfs/dbraw/zinc/54/89/71/395548971.db2.gz WAHZIYPTMYFQLR-MFKMUULPSA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC000451192701 395591879 /nfs/dbraw/zinc/59/18/79/395591879.db2.gz INBJILUTXONSEI-NSHDSACASA-N 1 0 295.314 2.276 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])c(CC)nn1C ZINC000341136577 400365531 /nfs/dbraw/zinc/36/55/31/400365531.db2.gz IDZBRXBNNMCPMH-NSHDSACASA-N 1 0 297.403 2.423 20 5 CEBDRO CC[NH+](CC)[C@H](C)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000359897055 155162428 /nfs/dbraw/zinc/16/24/28/155162428.db2.gz IAZXKNKYQJVJKE-SNVBAGLBSA-N 1 0 291.355 2.035 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000190870290 153148278 /nfs/dbraw/zinc/14/82/78/153148278.db2.gz HMOUXPIHXMLRBC-KOLCDFICSA-N 1 0 284.743 2.308 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192650155 153215819 /nfs/dbraw/zinc/21/58/19/153215819.db2.gz SOWLWRHLHDFOCD-NEPJUHHUSA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH3+])C1 ZINC000217513770 153296542 /nfs/dbraw/zinc/29/65/42/153296542.db2.gz AKJHOQJTLMCUTG-RYUDHWBXSA-N 1 0 263.341 2.327 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000220525178 153309213 /nfs/dbraw/zinc/30/92/13/153309213.db2.gz FPEPDWPVCLPEHI-JTQLQIEISA-N 1 0 283.376 2.033 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261765368 153834082 /nfs/dbraw/zinc/83/40/82/153834082.db2.gz MTOWQYNUCBLGQU-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356981484 154366276 /nfs/dbraw/zinc/36/62/76/154366276.db2.gz QPKJOKOXRMFDME-ZJUUUORDSA-N 1 0 269.370 2.181 20 5 CEBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000359482999 155028515 /nfs/dbraw/zinc/02/85/15/155028515.db2.gz NOUGUCWMEFTEJV-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO Cc1csc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000367891300 156251957 /nfs/dbraw/zinc/25/19/57/156251957.db2.gz GYEFMYWBIWPUHF-UHFFFAOYSA-N 1 0 292.364 2.220 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1F ZINC000368486812 156355016 /nfs/dbraw/zinc/35/50/16/156355016.db2.gz DKMAONUGKUKQAR-CQSZACIVSA-N 1 0 280.299 2.081 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375023674 157040375 /nfs/dbraw/zinc/04/03/75/157040375.db2.gz VHAZRUQMBBKQGH-IAQYHMDHSA-N 1 0 293.342 2.260 20 5 CEBDRO COc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000376020475 157180020 /nfs/dbraw/zinc/18/00/20/157180020.db2.gz GJTXMUNFLBWUPM-LBPRGKRZSA-N 1 0 292.335 2.072 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171453846 162384871 /nfs/dbraw/zinc/38/48/71/162384871.db2.gz RHUMJUGFCSLGFK-CQSZACIVSA-N 1 0 291.351 2.085 20 5 CEBDRO CC(C)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176204578 165159638 /nfs/dbraw/zinc/15/96/38/165159638.db2.gz YWXBDZSGUYVALV-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO CCCO[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236701 165159660 /nfs/dbraw/zinc/15/96/60/165159660.db2.gz ZMOLKQGZORRODR-ZDUSSCGKSA-N 1 0 296.371 2.072 20 5 CEBDRO Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000878317813 651065050 /nfs/dbraw/zinc/06/50/50/651065050.db2.gz SGDSOZQQVWWSME-GFCCVEGCSA-N 1 0 263.341 2.039 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000284251984 196012750 /nfs/dbraw/zinc/01/27/50/196012750.db2.gz IONVHFDRKRLLOR-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CC[NH+](CC)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035099604 171977090 /nfs/dbraw/zinc/97/70/90/171977090.db2.gz VFOPGJAQRXFSEK-UHFFFAOYSA-N 1 0 297.384 2.448 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNCC[NH+]2CCCC2)c1 ZINC000035368187 172159713 /nfs/dbraw/zinc/15/97/13/172159713.db2.gz XHEPOYZJUVNOJM-UHFFFAOYSA-N 1 0 283.759 2.434 20 5 CEBDRO CO[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000285720750 196378102 /nfs/dbraw/zinc/37/81/02/196378102.db2.gz PJWWHMWNUNRWMA-SNVBAGLBSA-N 1 0 252.314 2.370 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044395 174052337 /nfs/dbraw/zinc/05/23/37/174052337.db2.gz LQMRHBYFMIRRHD-LLVKDONJSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1cccnc1NCC[NH+]1CCCCCC1 ZINC000040433122 174260791 /nfs/dbraw/zinc/26/07/91/174260791.db2.gz NFCHKTCOQLANCI-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000040676090 174373707 /nfs/dbraw/zinc/37/37/07/174373707.db2.gz LYRSCJRQBIZUDF-ZIAGYGMSSA-N 1 0 264.325 2.030 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632481 414844991 /nfs/dbraw/zinc/84/49/91/414844991.db2.gz RTGOUSDGAUDLKD-OIBJUYFYSA-N 1 0 278.230 2.169 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000043466625 175052927 /nfs/dbraw/zinc/05/29/27/175052927.db2.gz WWNQFNAHWGZTQW-UHFFFAOYSA-N 1 0 280.328 2.058 20 5 CEBDRO C[NH2+]C[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142006 176040273 /nfs/dbraw/zinc/04/02/73/176040273.db2.gz DOODWQUJKSLKBL-VXGBXAGGSA-N 1 0 263.341 2.197 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071311583 176119007 /nfs/dbraw/zinc/11/90/07/176119007.db2.gz UQMJATZLAJQSHE-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071315433 176121735 /nfs/dbraw/zinc/12/17/35/176121735.db2.gz OHXYSCNMCROEPZ-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000071377576 176143180 /nfs/dbraw/zinc/14/31/80/176143180.db2.gz GQYGDBGGVUJECO-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(CO)o2)cc1 ZINC000077897951 177308254 /nfs/dbraw/zinc/30/82/54/177308254.db2.gz FBMQOTHEQQLGTO-UHFFFAOYSA-N 1 0 276.292 2.012 20 5 CEBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000078372808 177335761 /nfs/dbraw/zinc/33/57/61/177335761.db2.gz BSMSHFIYIXJUDY-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567220522 299042904 /nfs/dbraw/zinc/04/29/04/299042904.db2.gz JLJLUKZPEMRORW-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447604222 260077826 /nfs/dbraw/zinc/07/78/26/260077826.db2.gz ZIIILJHLPZVOJH-CYDGBPFRSA-N 1 0 296.371 2.024 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000449147947 260257775 /nfs/dbraw/zinc/25/77/75/260257775.db2.gz RTGCJJOVDRIVFZ-ABAIWWIYSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425977203 264249228 /nfs/dbraw/zinc/24/92/28/264249228.db2.gz JSYUFSLAXRQHFF-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)COC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707851 270279270 /nfs/dbraw/zinc/27/92/70/270279270.db2.gz YHFBENWXNRWPKH-AWEZNQCLSA-N 1 0 296.367 2.060 20 5 CEBDRO C[C@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000398646356 270360420 /nfs/dbraw/zinc/36/04/20/270360420.db2.gz ZWVPALPFRWKVJZ-SNVBAGLBSA-N 1 0 270.304 2.375 20 5 CEBDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H](C)[NH3+] ZINC000399587663 270371239 /nfs/dbraw/zinc/37/12/39/270371239.db2.gz PMXCKXPIVBLUFI-RISCZKNCSA-N 1 0 293.367 2.173 20 5 CEBDRO [NH3+]C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420111268 270470493 /nfs/dbraw/zinc/47/04/93/270470493.db2.gz GLEODIUZFYFGLO-UHFFFAOYSA-N 1 0 272.308 2.071 20 5 CEBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420229431 270488180 /nfs/dbraw/zinc/48/81/80/270488180.db2.gz GWATVHAQQGIIJY-UHFFFAOYSA-N 1 0 275.255 2.347 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420234240 270489807 /nfs/dbraw/zinc/48/98/07/270489807.db2.gz HHGODQWRMMWJJS-GHMZBOCLSA-N 1 0 264.329 2.288 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420328046 270518729 /nfs/dbraw/zinc/51/87/29/270518729.db2.gz HALWOWMPBYTMAJ-SMDDNHRTSA-N 1 0 281.331 2.289 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424336978 271048473 /nfs/dbraw/zinc/04/84/73/271048473.db2.gz ZNCPPJHJWBVFNV-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430225163 271364402 /nfs/dbraw/zinc/36/44/02/271364402.db2.gz XODOWOHDEHZVLD-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@H]1C ZINC000430232994 271365813 /nfs/dbraw/zinc/36/58/13/271365813.db2.gz JBLMEGNQTDZPTG-IINYFYTJSA-N 1 0 280.324 2.261 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430600793 271397879 /nfs/dbraw/zinc/39/78/79/271397879.db2.gz YQDYKVHLRBVCLG-UHFFFAOYSA-N 1 0 269.320 2.151 20 5 CEBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000339160324 274024756 /nfs/dbraw/zinc/02/47/56/274024756.db2.gz VDVMELPRMDXUQP-UHFFFAOYSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000086470133 274353969 /nfs/dbraw/zinc/35/39/69/274353969.db2.gz JLCGGIOJERSNHI-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000193353481 274527322 /nfs/dbraw/zinc/52/73/22/274527322.db2.gz VXSPWAGJKVFCIY-HZMBPMFUSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163732507 274558564 /nfs/dbraw/zinc/55/85/64/274558564.db2.gz HQBOCGYFVPHLQE-QWRGUYRKSA-N 1 0 292.339 2.043 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415484872 274686813 /nfs/dbraw/zinc/68/68/13/274686813.db2.gz OUDZFIWOQSKYBG-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc([N+](=O)[O-])o1 ZINC000167383061 274999308 /nfs/dbraw/zinc/99/93/08/274999308.db2.gz VGHQWXRIZZDSHH-UHFFFAOYSA-N 1 0 287.275 2.086 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188469027 276304644 /nfs/dbraw/zinc/30/46/44/276304644.db2.gz NSFPWKVKBWZNIT-MNOVXSKESA-N 1 0 279.340 2.112 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291332184 276349975 /nfs/dbraw/zinc/34/99/75/276349975.db2.gz VWWYPLJSFFRBLE-LBPRGKRZSA-N 1 0 282.340 2.330 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000093633649 276984875 /nfs/dbraw/zinc/98/48/75/276984875.db2.gz RSGSOIWZVCBXQH-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345447 277010986 /nfs/dbraw/zinc/01/09/86/277010986.db2.gz ZLQFHRNQHRJDSQ-ABAIWWIYSA-N 1 0 291.351 2.114 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000375034505 277147206 /nfs/dbraw/zinc/14/72/06/277147206.db2.gz ARJCYQPIQUTOIN-MFKMUULPSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375035461 277177679 /nfs/dbraw/zinc/17/76/79/277177679.db2.gz FOHYYDVMIMTTBU-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000040602029 277283466 /nfs/dbraw/zinc/28/34/66/277283466.db2.gz GMEBZIZYWLJQFL-GFCCVEGCSA-N 1 0 263.341 2.339 20 5 CEBDRO COc1cccc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000185172464 278015730 /nfs/dbraw/zinc/01/57/30/278015730.db2.gz SNRMPOBCEZOAMP-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000289756815 278348813 /nfs/dbraw/zinc/34/88/13/278348813.db2.gz LLWXTVWHIMMPEC-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000235598589 280062582 /nfs/dbraw/zinc/06/25/82/280062582.db2.gz LJUTWLKROFCCFY-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@](C[NH3+])(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000127277407 280139640 /nfs/dbraw/zinc/13/96/40/280139640.db2.gz FUCQBSJLTQSPPF-CYBMUJFWSA-N 1 0 297.742 2.105 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000246093826 280273484 /nfs/dbraw/zinc/27/34/84/280273484.db2.gz ABIWYEGHDHUWIP-JHJVBQTASA-N 1 0 278.356 2.444 20 5 CEBDRO Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000271418576 280552759 /nfs/dbraw/zinc/55/27/59/280552759.db2.gz UPYULZZDHJFZQY-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396685731 280675486 /nfs/dbraw/zinc/67/54/86/280675486.db2.gz ZKZJJXOHDOZLCV-LLVKDONJSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292714899 288261348 /nfs/dbraw/zinc/26/13/48/288261348.db2.gz GYKDHJMRNYMLBO-AOOOYVTPSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000235348884 281016153 /nfs/dbraw/zinc/01/61/53/281016153.db2.gz ALNJUQSWXDIPDA-MFKMUULPSA-N 1 0 291.351 2.103 20 5 CEBDRO COC[C@@]1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438451 281042537 /nfs/dbraw/zinc/04/25/37/281042537.db2.gz UVQIMNQNGMDBLE-WFASDCNBSA-N 1 0 293.367 2.014 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530419 281063579 /nfs/dbraw/zinc/06/35/79/281063579.db2.gz WRLQNCDUZGHOJK-GJZGRUSLSA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000423675701 281079418 /nfs/dbraw/zinc/07/94/18/281079418.db2.gz BKUMDSOJOROBIH-GFCCVEGCSA-N 1 0 293.367 2.459 20 5 CEBDRO COc1cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429312136 281233150 /nfs/dbraw/zinc/23/31/50/281233150.db2.gz OBBGGJHQECOFIQ-QWRGUYRKSA-N 1 0 294.351 2.337 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430612162 281269184 /nfs/dbraw/zinc/26/91/84/281269184.db2.gz QNKRHHWIWDIDBE-LLVKDONJSA-N 1 0 281.331 2.165 20 5 CEBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000445890866 281704912 /nfs/dbraw/zinc/70/49/12/281704912.db2.gz QFHPKFJOPFNGRF-SECBINFHSA-N 1 0 294.277 2.358 20 5 CEBDRO CC[C@H]([NH2+]Cc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000459390936 290134550 /nfs/dbraw/zinc/13/45/50/290134550.db2.gz UEUDIWCOLXTQHN-AWEZNQCLSA-N 1 0 289.339 2.447 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CCO)C1 ZINC000459585594 290187062 /nfs/dbraw/zinc/18/70/62/290187062.db2.gz BGRSUGZVBLFPLD-KPKJPENVSA-N 1 0 276.336 2.312 20 5 CEBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459615987 290195375 /nfs/dbraw/zinc/19/53/75/290195375.db2.gz PQJBTACEXIAFAY-IUODEOHRSA-N 1 0 293.367 2.315 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000459651810 290205125 /nfs/dbraw/zinc/20/51/25/290205125.db2.gz VVHOYLNMFLBOLQ-TXEJJXNPSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1ccnc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487092552 290331360 /nfs/dbraw/zinc/33/13/60/290331360.db2.gz AYVXSGKMAIMVFQ-LBPRGKRZSA-N 1 0 278.356 2.075 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385863 298067831 /nfs/dbraw/zinc/06/78/31/298067831.db2.gz WSJWOUJKJGMUSA-RYUDHWBXSA-N 1 0 293.367 2.421 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000531381544 298104843 /nfs/dbraw/zinc/10/48/43/298104843.db2.gz HPICPNUKLBAQNY-UHFFFAOYSA-N 1 0 289.339 2.097 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCC1 ZINC000531714843 298117128 /nfs/dbraw/zinc/11/71/28/298117128.db2.gz WZLCNVZZQKFJCU-NSHDSACASA-N 1 0 264.325 2.469 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccco2)cs1 ZINC000538420011 298228113 /nfs/dbraw/zinc/22/81/13/298228113.db2.gz FIDBUSIGIFFYAG-SNVBAGLBSA-N 1 0 296.348 2.190 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(=O)N(C)C ZINC000539040289 298243970 /nfs/dbraw/zinc/24/39/70/298243970.db2.gz MOQFQOHMTTVKAL-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000546678987 298357443 /nfs/dbraw/zinc/35/74/43/298357443.db2.gz VCQCMHMEZPGJKX-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO COC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564119788 298818657 /nfs/dbraw/zinc/81/86/57/298818657.db2.gz AIDMROVHDABRNQ-JTQLQIEISA-N 1 0 277.324 2.243 20 5 CEBDRO CC(=O)NCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000566973691 299032748 /nfs/dbraw/zinc/03/27/48/299032748.db2.gz DNYDQDSXQDCNNW-UHFFFAOYSA-N 1 0 293.367 2.286 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567385927 299060005 /nfs/dbraw/zinc/06/00/05/299060005.db2.gz WXFTTZRYPMWFAR-NXEZZACHSA-N 1 0 294.355 2.405 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699066 314507212 /nfs/dbraw/zinc/50/72/12/314507212.db2.gz IBVSITVJIMECPF-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579313527 314571419 /nfs/dbraw/zinc/57/14/19/314571419.db2.gz YQOMZLXKADIHOJ-JHJVBQTASA-N 1 0 296.371 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000385392944 321860067 /nfs/dbraw/zinc/86/00/67/321860067.db2.gz TUDDWHYHMFGWOZ-RNCFNFMXSA-N 1 0 281.743 2.042 20 5 CEBDRO C[C@H](c1nc(C2([NH3+])CCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000581190162 322376566 /nfs/dbraw/zinc/37/65/66/322376566.db2.gz KEVVITFCSYCXPX-VIFPVBQESA-N 1 0 288.307 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000560689685 327336770 /nfs/dbraw/zinc/33/67/70/327336770.db2.gz ZVFCYCIDTXGODE-GHMZBOCLSA-N 1 0 266.345 2.078 20 5 CEBDRO COc1cc(C[NH2+]C[C@H]2CC23CC3)c([N+](=O)[O-])cc1O ZINC000418098818 533882653 /nfs/dbraw/zinc/88/26/53/533882653.db2.gz PAKYREDZEIRPAY-SNVBAGLBSA-N 1 0 278.308 2.199 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264404762 534332487 /nfs/dbraw/zinc/33/24/87/534332487.db2.gz KJODQDDWFVJATN-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000153451696 534424001 /nfs/dbraw/zinc/42/40/01/534424001.db2.gz SYDLLADKLMMXBQ-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO C[NH+](C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000145991630 521792217 /nfs/dbraw/zinc/79/22/17/521792217.db2.gz JZUZTMKCFUZJEY-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443399 522227959 /nfs/dbraw/zinc/22/79/59/522227959.db2.gz QPMCADGSFPPRAN-SNVBAGLBSA-N 1 0 258.705 2.109 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000157683137 522998440 /nfs/dbraw/zinc/99/84/40/522998440.db2.gz AQSAYDFVJJCRRW-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000161118133 524571207 /nfs/dbraw/zinc/57/12/07/524571207.db2.gz DRDRPZINUYKEOE-SNVBAGLBSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000070087340 524926641 /nfs/dbraw/zinc/92/66/41/524926641.db2.gz FQQKAWLNFFCISJ-JTQLQIEISA-N 1 0 279.340 2.290 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000357547112 528829953 /nfs/dbraw/zinc/82/99/53/528829953.db2.gz LIJAMCXHRKJUDG-SNVBAGLBSA-N 1 0 252.318 2.130 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742425876 575021226 /nfs/dbraw/zinc/02/12/26/575021226.db2.gz PINZYKCXJBMOQG-JTQLQIEISA-N 1 0 294.311 2.399 20 5 CEBDRO Cc1cnc(N2CCC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000742429968 575021613 /nfs/dbraw/zinc/02/16/13/575021613.db2.gz NZIFQEWBWHGVEO-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000746046588 575147398 /nfs/dbraw/zinc/14/73/98/575147398.db2.gz AOHXVCFAODALBF-NSHDSACASA-N 1 0 293.323 2.088 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082019 575246221 /nfs/dbraw/zinc/24/62/21/575246221.db2.gz QAGAEXBOBDOTSZ-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000235441759 625557843 /nfs/dbraw/zinc/55/78/43/625557843.db2.gz ZBAVKYPHFLBGRB-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000890884407 623042192 /nfs/dbraw/zinc/04/21/92/623042192.db2.gz OBKFLTPVERAWOX-UHFFFAOYSA-N 1 0 299.396 2.316 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813332802 623155440 /nfs/dbraw/zinc/15/54/40/623155440.db2.gz DMGICHOJOYLTEG-AWEZNQCLSA-N 1 0 280.324 2.228 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261596249 623342545 /nfs/dbraw/zinc/34/25/45/623342545.db2.gz GUYAXSHDVJBAGC-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1OC ZINC000050373617 623401809 /nfs/dbraw/zinc/40/18/09/623401809.db2.gz UQOZTHIXOFJGKO-JSGCOSHPSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCSC2)cc1 ZINC000167445668 625661449 /nfs/dbraw/zinc/66/14/49/625661449.db2.gz DZVHJZHGUFJXOZ-WCQYABFASA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000235652887 625693354 /nfs/dbraw/zinc/69/33/54/625693354.db2.gz DWWQSYYWRGZRDP-RNCFNFMXSA-N 1 0 268.288 2.391 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122425 624245589 /nfs/dbraw/zinc/24/55/89/624245589.db2.gz TVVBAFIHCQKRBA-WCQYABFASA-N 1 0 291.307 2.345 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225589195 624933655 /nfs/dbraw/zinc/93/36/55/624933655.db2.gz CEZJIURWULCJSY-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CN(C)c1cc(NCCc2ccccc2[N+](=O)[O-])ncn1 ZINC000892696358 627678067 /nfs/dbraw/zinc/67/80/67/627678067.db2.gz NHRVVTAPZPYMKA-UHFFFAOYSA-N 1 0 287.323 2.105 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000312167114 628170284 /nfs/dbraw/zinc/17/02/84/628170284.db2.gz GQXDLUZXVUEDQN-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO CC(C)N(CC[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000930821202 628276543 /nfs/dbraw/zinc/27/65/43/628276543.db2.gz XPQOGKKDMLIFET-MRXNPFEDSA-N 1 0 291.395 2.248 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000313552881 628614917 /nfs/dbraw/zinc/61/49/17/628614917.db2.gz OZWDSKRECCXNMX-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893694470 628928231 /nfs/dbraw/zinc/92/82/31/628928231.db2.gz VHRREOVGUOTFJH-UHFFFAOYSA-N 1 0 298.726 2.291 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104554 629145230 /nfs/dbraw/zinc/14/52/30/629145230.db2.gz YJTJBTOYAKZXAP-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261768569 629188551 /nfs/dbraw/zinc/18/85/51/629188551.db2.gz DNUQQHUNTYUYJY-NSHDSACASA-N 1 0 283.759 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261876479 629293168 /nfs/dbraw/zinc/29/31/68/629293168.db2.gz ZURGYKHLOFIFGY-MFKMUULPSA-N 1 0 295.770 2.432 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000794949767 629368824 /nfs/dbraw/zinc/36/88/24/629368824.db2.gz SIGZAXJWILIRJM-YGRLFVJLSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000795978261 629726873 /nfs/dbraw/zinc/72/68/73/629726873.db2.gz XZLKONXHHCVVOP-VIFPVBQESA-N 1 0 285.294 2.009 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000894904655 629745728 /nfs/dbraw/zinc/74/57/28/629745728.db2.gz UZBQTLOKBATIRI-SCZZXKLOSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000049235276 629862690 /nfs/dbraw/zinc/86/26/90/629862690.db2.gz NQVRMWGZHDSBBI-LLVKDONJSA-N 1 0 274.324 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(F)(F)CC2)cc1 ZINC000796539684 629927879 /nfs/dbraw/zinc/92/78/79/629927879.db2.gz CSZSPVKBOAPRNO-GFCCVEGCSA-N 1 0 286.278 2.359 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000895325075 630112011 /nfs/dbraw/zinc/11/20/11/630112011.db2.gz NCXKZBRCMYFODQ-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785206 630344209 /nfs/dbraw/zinc/34/42/09/630344209.db2.gz RTZLZVDSFJFWJQ-GBPMWZCISA-N 1 0 288.347 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C(C)C)c1C ZINC000896071851 630457379 /nfs/dbraw/zinc/45/73/79/630457379.db2.gz BJJQWZZGZDNHPR-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO CCn1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897458577 631529358 /nfs/dbraw/zinc/52/93/58/631529358.db2.gz BXKFEAUCHVQQAS-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO CO[C@@]1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000897465287 631531717 /nfs/dbraw/zinc/53/17/17/631531717.db2.gz VHLLJSIZMNRFIM-SWLSCSKDSA-N 1 0 294.351 2.093 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000897469076 631536316 /nfs/dbraw/zinc/53/63/16/631536316.db2.gz CSHRTDSHQYFEQE-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@@H](C[NH2+]Cc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000897470111 631538043 /nfs/dbraw/zinc/53/80/43/631538043.db2.gz YJIVDAKJAKYQQH-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1CC1 ZINC000804407631 631679553 /nfs/dbraw/zinc/67/95/53/631679553.db2.gz XICPTZZVNJPVBU-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897676316 631861363 /nfs/dbraw/zinc/86/13/63/631861363.db2.gz KSVVCBZGHAPWTC-QMTHXVAHSA-N 1 0 264.325 2.024 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000898172428 632079929 /nfs/dbraw/zinc/07/99/29/632079929.db2.gz HXHVPOCKGPJLJE-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810853158 632290426 /nfs/dbraw/zinc/29/04/26/632290426.db2.gz PSIQPCAFYSGXOH-KBPBESRZSA-N 1 0 290.319 2.378 20 5 CEBDRO COCCN1[C@H](C)CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000826629016 635797271 /nfs/dbraw/zinc/79/72/71/635797271.db2.gz ICVKXGJLDPOMGP-PHIMTYICSA-N 1 0 299.396 2.202 20 5 CEBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000811848632 632455639 /nfs/dbraw/zinc/45/56/39/632455639.db2.gz MVENITXJEBIHLY-NSHDSACASA-N 1 0 291.355 2.383 20 5 CEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000898480763 632513540 /nfs/dbraw/zinc/51/35/40/632513540.db2.gz CZJKNTAOUNAWIM-YPMHNXCESA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](CO)C1 ZINC000927146856 632593221 /nfs/dbraw/zinc/59/32/21/632593221.db2.gz ZLQGVKCYEHWNHR-GIPNMCIBSA-N 1 0 282.315 2.025 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927151666 632628949 /nfs/dbraw/zinc/62/89/49/632628949.db2.gz YMWICZQIUKRQRM-IJLUTSLNSA-N 1 0 264.325 2.325 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937749 632936202 /nfs/dbraw/zinc/93/62/02/632936202.db2.gz OSEJWOZGDRDXPA-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905230330 635874565 /nfs/dbraw/zinc/87/45/65/635874565.db2.gz PHNNRTDOXCAJMR-CQSZACIVSA-N 1 0 250.342 2.368 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561789 633031111 /nfs/dbraw/zinc/03/11/11/633031111.db2.gz PXXBTXDABCYYKF-BONVTDFDSA-N 1 0 292.383 2.168 20 5 CEBDRO Cc1c(Br)cccc1C[NH2+]CC[N+](=O)[O-] ZINC000899891141 633069817 /nfs/dbraw/zinc/06/98/17/633069817.db2.gz MLLCPKGJHUZGSV-UHFFFAOYSA-N 1 0 273.130 2.124 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)c1 ZINC000899993721 633157215 /nfs/dbraw/zinc/15/72/15/633157215.db2.gz MCPSVOUSFSCPHU-MVWJERBFSA-N 1 0 286.291 2.253 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000899995188 633163953 /nfs/dbraw/zinc/16/39/53/633163953.db2.gz VKVYMABFLLMPIW-MWLCHTKSSA-N 1 0 288.307 2.043 20 5 CEBDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819061445 634057460 /nfs/dbraw/zinc/05/74/60/634057460.db2.gz VWNGEVOJXJXHAM-DGCLKSJQSA-N 1 0 264.325 2.264 20 5 CEBDRO CC1CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819128740 634077207 /nfs/dbraw/zinc/07/72/07/634077207.db2.gz RIRKIJQHINKGLA-OCTTZUBCSA-N 1 0 250.298 2.016 20 5 CEBDRO COCCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819177602 634093838 /nfs/dbraw/zinc/09/38/38/634093838.db2.gz UUMJITSAYQFAMK-CQSZACIVSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819188130 634098170 /nfs/dbraw/zinc/09/81/70/634098170.db2.gz CHOWLXYYCAJZEB-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000819194056 634100098 /nfs/dbraw/zinc/10/00/98/634100098.db2.gz OCFPQPXYKUODAJ-YGRLFVJLSA-N 1 0 275.308 2.307 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207844 634105042 /nfs/dbraw/zinc/10/50/42/634105042.db2.gz QUEWHAMJBJIQSO-BPLDGKMQSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819313191 634135597 /nfs/dbraw/zinc/13/55/97/634135597.db2.gz ZQJXCCBAGNDYPH-JIMOISOXSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000822644085 634961474 /nfs/dbraw/zinc/96/14/74/634961474.db2.gz MSGBGLJZRUAXCB-FZMZJTMJSA-N 1 0 286.291 2.112 20 5 CEBDRO Cc1cc(Cc2noc([C@@H](C)[C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863715 635015038 /nfs/dbraw/zinc/01/50/38/635015038.db2.gz SKOGPRSHBWWXDX-VHSXEESVSA-N 1 0 290.323 2.328 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000903218180 635020730 /nfs/dbraw/zinc/02/07/30/635020730.db2.gz JRKCJDTWKRTUJK-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903224353 635024324 /nfs/dbraw/zinc/02/43/24/635024324.db2.gz UWQORIMQBSRMPQ-RWSFTLGLSA-N 1 0 293.367 2.347 20 5 CEBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302221 635049416 /nfs/dbraw/zinc/04/94/16/635049416.db2.gz XGUVFAOGGSZUTJ-UMNHJUIQSA-N 1 0 281.331 2.477 20 5 CEBDRO CN1CC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903322863 635056658 /nfs/dbraw/zinc/05/66/58/635056658.db2.gz OTTSVSGQTJZGLN-GJZGRUSLSA-N 1 0 289.379 2.210 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)o1 ZINC000823270170 635119503 /nfs/dbraw/zinc/11/95/03/635119503.db2.gz OEASHNSRLMOBOU-ZETCQYMHSA-N 1 0 264.241 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469443 635141330 /nfs/dbraw/zinc/14/13/30/635141330.db2.gz VBOQWKYWTNTYHM-AWEZNQCLSA-N 1 0 275.352 2.012 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@]12CC[NH2+]C2 ZINC000903865785 635300388 /nfs/dbraw/zinc/30/03/88/635300388.db2.gz RINDSGDYHGGQIK-AWEZNQCLSA-N 1 0 279.315 2.062 20 5 CEBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000903843988 635302067 /nfs/dbraw/zinc/30/20/67/635302067.db2.gz YZNDVVMGDSNJDA-NDMJEZRESA-N 1 0 279.315 2.046 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903856203 635307588 /nfs/dbraw/zinc/30/75/88/635307588.db2.gz QWMRIBMUAHHUHB-ZFWWWQNUSA-N 1 0 275.352 2.216 20 5 CEBDRO Cc1c(CN2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903863322 635314110 /nfs/dbraw/zinc/31/41/10/635314110.db2.gz BNJAKMYJLVLPPR-HNNXBMFYSA-N 1 0 275.352 2.231 20 5 CEBDRO C[C@@H](NC[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988432 635406682 /nfs/dbraw/zinc/40/66/82/635406682.db2.gz RGQWJRXJHNTTEC-PSASIEDQSA-N 1 0 273.283 2.228 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000904273113 635534934 /nfs/dbraw/zinc/53/49/34/635534934.db2.gz RJWHMYOURVXBJG-GFCCVEGCSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])CCNCc1ccnc(OCc2ccccc2)c1 ZINC000905046831 635787408 /nfs/dbraw/zinc/78/74/08/635787408.db2.gz CENQPPKNRZGDHI-UHFFFAOYSA-N 1 0 287.319 2.027 20 5 CEBDRO O=[N+]([O-])CCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000905203341 635878653 /nfs/dbraw/zinc/87/86/53/635878653.db2.gz VJSCGLGDUHRGAS-LLVKDONJSA-N 1 0 270.716 2.420 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000905247458 636171979 /nfs/dbraw/zinc/17/19/79/636171979.db2.gz KIPZOKAPPYWIJP-UHFFFAOYSA-N 1 0 292.257 2.037 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000905567011 636328539 /nfs/dbraw/zinc/32/85/39/636328539.db2.gz WSMAVGGUGDIECD-UHFFFAOYSA-N 1 0 252.289 2.114 20 5 CEBDRO COC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000905615302 636359475 /nfs/dbraw/zinc/35/94/75/636359475.db2.gz AOWPBFYOZMYNLW-ZFWWWQNUSA-N 1 0 296.367 2.136 20 5 CEBDRO [NH3+]C1CC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000906509500 636760869 /nfs/dbraw/zinc/76/08/69/636760869.db2.gz GNCUZCDPVKMNKN-UHFFFAOYSA-N 1 0 287.319 2.434 20 5 CEBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876502475 650292841 /nfs/dbraw/zinc/29/28/41/650292841.db2.gz AMJGJUZVLFWBGJ-UHFFFAOYSA-N 1 0 299.330 2.230 20 5 CEBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876502342 650292886 /nfs/dbraw/zinc/29/28/86/650292886.db2.gz ZLKOQVYAEMLASZ-LBPRGKRZSA-N 1 0 299.330 2.311 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[NH2+]1 ZINC000876530498 650307177 /nfs/dbraw/zinc/30/71/77/650307177.db2.gz SXJDCMUATWJWHM-NSHDSACASA-N 1 0 299.330 2.182 20 5 CEBDRO CS[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889279 637190747 /nfs/dbraw/zinc/19/07/47/637190747.db2.gz NCNTUTMXKMBEBD-OLZOCXBDSA-N 1 0 282.365 2.066 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914566 637987425 /nfs/dbraw/zinc/98/74/25/637987425.db2.gz ICVHNEBYVPFEOS-JFGNBEQYSA-N 1 0 279.340 2.395 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[NH2+]CC12CCCC2 ZINC000911906271 638473265 /nfs/dbraw/zinc/47/32/65/638473265.db2.gz AHWXSTPZRAXXDL-LBPRGKRZSA-N 1 0 275.308 2.066 20 5 CEBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000876790947 650433012 /nfs/dbraw/zinc/43/30/12/650433012.db2.gz HGHWVEWPPGNYPZ-HNNXBMFYSA-N 1 0 299.330 2.215 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000912593017 638737620 /nfs/dbraw/zinc/73/76/20/638737620.db2.gz TYUMIGGEFCEKTG-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccnc1 ZINC000876907579 650481494 /nfs/dbraw/zinc/48/14/94/650481494.db2.gz GWESKISTHUORNC-PKSQDBQZSA-N 1 0 287.323 2.241 20 5 CEBDRO C[C@@H](Cc1ccco1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916523 650485267 /nfs/dbraw/zinc/48/52/67/650485267.db2.gz CLUBPSHPUSMNNV-UNXYVOJBSA-N 1 0 290.323 2.309 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000223284398 639418255 /nfs/dbraw/zinc/41/82/55/639418255.db2.gz GANBHIXODMNREY-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000223900705 639437743 /nfs/dbraw/zinc/43/77/43/639437743.db2.gz UQJVSIMAUGFPEK-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)(CCC(=O)OCCC[NH+]1CCCCC1)[N+](=O)[O-] ZINC000837924312 639444419 /nfs/dbraw/zinc/44/44/19/639444419.db2.gz FPIXBBUFPCUPQM-UHFFFAOYSA-N 1 0 286.372 2.241 20 5 CEBDRO Cc1nn(C[N@H+](C)CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000058207574 639495151 /nfs/dbraw/zinc/49/51/51/639495151.db2.gz CPODKIMVXUTFTH-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000226045099 639518969 /nfs/dbraw/zinc/51/89/69/639518969.db2.gz PMLFMSRBXJFMBQ-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000157920050 639550030 /nfs/dbraw/zinc/55/00/30/639550030.db2.gz JSIBNASJQDKVEQ-LAXVZRPASA-N 1 0 282.365 2.157 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010583 639617539 /nfs/dbraw/zinc/61/75/39/639617539.db2.gz GIFZDKRPOXBLNC-RQJHMYQMSA-N 1 0 286.719 2.105 20 5 CEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000841010844 639617662 /nfs/dbraw/zinc/61/76/62/639617662.db2.gz JHLKLYVDKOTLOE-SECBINFHSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064131 639639083 /nfs/dbraw/zinc/63/90/83/639639083.db2.gz YXVVRUGMVGHCHM-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCCC[NH2+]C2CC2)cc1Cl ZINC000841090180 639653036 /nfs/dbraw/zinc/65/30/36/639653036.db2.gz MGJRMICHGPARQW-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCSCC2)cc1 ZINC000229258712 639687978 /nfs/dbraw/zinc/68/79/78/639687978.db2.gz YQWCUFUOEIFBOH-CQSZACIVSA-N 1 0 296.392 2.361 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000171890319 639736541 /nfs/dbraw/zinc/73/65/41/639736541.db2.gz AOCBXJNMZINJFG-SECBINFHSA-N 1 0 254.334 2.344 20 5 CEBDRO Cn1ccc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000230880860 639798163 /nfs/dbraw/zinc/79/81/63/639798163.db2.gz DAUOQACLSSLRTG-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1c(C[NH2+]CCN2CCSCC2)cccc1[N+](=O)[O-] ZINC000230935278 639804731 /nfs/dbraw/zinc/80/47/31/639804731.db2.gz CWRJBDRVNAFETB-UHFFFAOYSA-N 1 0 295.408 2.042 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000841693781 639839724 /nfs/dbraw/zinc/83/97/24/639839724.db2.gz VMRSJMFIABNIRV-ATZCPNFKSA-N 1 0 252.318 2.034 20 5 CEBDRO CC[C@]1(C)CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173425349 639854792 /nfs/dbraw/zinc/85/47/92/639854792.db2.gz IEDYPCSVDQJHKZ-GFCCVEGCSA-N 1 0 252.318 2.261 20 5 CEBDRO Cc1c(CNC(=O)C2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000231856579 639880312 /nfs/dbraw/zinc/88/03/12/639880312.db2.gz QRTBOUHKLCBTSB-UHFFFAOYSA-N 1 0 291.351 2.181 20 5 CEBDRO COC(OC)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884297 639881763 /nfs/dbraw/zinc/88/17/63/639881763.db2.gz UJGGUIPRNWNDMX-JTQLQIEISA-N 1 0 268.313 2.000 20 5 CEBDRO CC(C)(CCC(=O)NCCC[NH2+]C1CCCCC1)[N+](=O)[O-] ZINC000842233408 639979677 /nfs/dbraw/zinc/97/96/77/639979677.db2.gz UPCYPXVNSCUJFG-UHFFFAOYSA-N 1 0 299.415 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474694 640073625 /nfs/dbraw/zinc/07/36/25/640073625.db2.gz CAZFNBXTLRJJLY-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000843049397 640253635 /nfs/dbraw/zinc/25/36/35/640253635.db2.gz MWGXPYHMIPALKU-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239919 640366810 /nfs/dbraw/zinc/36/68/10/640366810.db2.gz QXUQJQLZIIOPIW-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3CCC3)C2)c1 ZINC000877103821 650573645 /nfs/dbraw/zinc/57/36/45/650573645.db2.gz SNFBLMILKDMQAK-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844454779 640734128 /nfs/dbraw/zinc/73/41/28/640734128.db2.gz UUOUBPXGOKRRRH-TXEJJXNPSA-N 1 0 284.262 2.171 20 5 CEBDRO C[C@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCc2ccccc21 ZINC000844742189 640822721 /nfs/dbraw/zinc/82/27/21/640822721.db2.gz NDSLRRDUUYWXPM-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877173112 650610390 /nfs/dbraw/zinc/61/03/90/650610390.db2.gz YMQRFONEIMULPR-JQWIXIFHSA-N 1 0 299.330 2.310 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845422 641450697 /nfs/dbraw/zinc/45/06/97/641450697.db2.gz OAQGWGTVKITQBA-ZWNOBZJWSA-N 1 0 293.323 2.086 20 5 CEBDRO CC[N@H+](CC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000069797131 641597100 /nfs/dbraw/zinc/59/71/00/641597100.db2.gz VZUOALVQRHNXDF-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000848531007 642037828 /nfs/dbraw/zinc/03/78/28/642037828.db2.gz MFRGMEUUCWSTQC-UHFFFAOYSA-N 1 0 280.715 2.272 20 5 CEBDRO [NH3+]C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000848715553 642109437 /nfs/dbraw/zinc/10/94/37/642109437.db2.gz DVICGMVVNZPUDX-SECBINFHSA-N 1 0 297.664 2.227 20 5 CEBDRO CC1(C)CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877439502 650723036 /nfs/dbraw/zinc/72/30/36/650723036.db2.gz NDVRXPVCAAKTQC-XIVSLSHWSA-N 1 0 294.355 2.042 20 5 CEBDRO COCCC[N@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877462833 650730886 /nfs/dbraw/zinc/73/08/86/650730886.db2.gz VWANJCRKWJHSLM-UHFFFAOYSA-N 1 0 296.367 2.042 20 5 CEBDRO CCSCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877497828 650751212 /nfs/dbraw/zinc/75/12/12/650751212.db2.gz CWLCDNGOFPGXRJ-UHFFFAOYSA-N 1 0 284.385 2.228 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877521833 650764573 /nfs/dbraw/zinc/76/45/73/650764573.db2.gz IGXKMUNLWUCKEK-RTYFJBAXSA-N 1 0 264.329 2.273 20 5 CEBDRO CC(C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000851128024 642928617 /nfs/dbraw/zinc/92/86/17/642928617.db2.gz FHIQDDWYWXYECS-LBPRGKRZSA-N 1 0 286.372 2.095 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1O ZINC000922511972 643101412 /nfs/dbraw/zinc/10/14/12/643101412.db2.gz PVQXOUKMLZVBGP-KXGXSXBTSA-N 1 0 292.335 2.443 20 5 CEBDRO Cc1c(C[NH2+]CCOC2CCOCC2)cccc1[N+](=O)[O-] ZINC000922928353 643459484 /nfs/dbraw/zinc/45/94/84/643459484.db2.gz OOOCMMRWMVIPOR-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1ccc(NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000922934898 643463512 /nfs/dbraw/zinc/46/35/12/643463512.db2.gz RPTVYHQIIRGUMF-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000923443402 643712597 /nfs/dbraw/zinc/71/25/97/643712597.db2.gz OOWPXEWSTPYXPW-AVGNSLFASA-N 1 0 293.367 2.044 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000923441215 643717838 /nfs/dbraw/zinc/71/78/38/643717838.db2.gz IQUNIMQMSCKBRN-RWMBFGLXSA-N 1 0 293.367 2.044 20 5 CEBDRO COC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000877707388 650863497 /nfs/dbraw/zinc/86/34/97/650863497.db2.gz RTPSOUUUDXUEPZ-CYBMUJFWSA-N 1 0 298.364 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534472 643754913 /nfs/dbraw/zinc/75/49/13/643754913.db2.gz PMFMIWRSTBTIDN-OAHLLOKOSA-N 1 0 293.342 2.452 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000853825176 643911582 /nfs/dbraw/zinc/91/15/82/643911582.db2.gz ZAYCSBNTAZMUBE-UHFFFAOYSA-N 1 0 287.722 2.385 20 5 CEBDRO Cc1ccc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000854137181 643995001 /nfs/dbraw/zinc/99/50/01/643995001.db2.gz PIBKYOZBMIYGAZ-MGCOHNPYSA-N 1 0 274.280 2.158 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000877752465 650895593 /nfs/dbraw/zinc/89/55/93/650895593.db2.gz RPOJTUCSMOUJJM-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000839131411 644168314 /nfs/dbraw/zinc/16/83/14/644168314.db2.gz JZGZCTPSTSOJTA-UHFFFAOYSA-N 1 0 297.330 2.192 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000877827567 650924031 /nfs/dbraw/zinc/92/40/31/650924031.db2.gz CBILISHKIUSSAI-HUBLWGQQSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[N@H+](CCC1CC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000760538819 645169647 /nfs/dbraw/zinc/16/96/47/645169647.db2.gz OXGORTCAVLNMNY-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N(C)C ZINC000761531133 645294500 /nfs/dbraw/zinc/29/45/00/645294500.db2.gz ANZRULZCWCWGQL-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859830112 645622686 /nfs/dbraw/zinc/62/26/86/645622686.db2.gz ZAANSEOVLBZBBZ-VOAKKNSGSA-N 1 0 294.351 2.030 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)C1 ZINC000765770677 645806820 /nfs/dbraw/zinc/80/68/20/645806820.db2.gz PAEVXQADUTZUKO-OCCSQVGLSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849915 645816757 /nfs/dbraw/zinc/81/67/57/645816757.db2.gz UVXKLHGAJZADMM-TYNCELHUSA-N 1 0 294.351 2.033 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)c1 ZINC000770220229 646370831 /nfs/dbraw/zinc/37/08/31/646370831.db2.gz AYPNXUUDKOSPHJ-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000862464911 646468900 /nfs/dbraw/zinc/46/89/00/646468900.db2.gz BIJPDAQLOPZQSY-ZDUSSCGKSA-N 1 0 290.319 2.255 20 5 CEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000863562242 646757143 /nfs/dbraw/zinc/75/71/43/646757143.db2.gz HYWYRTBFLPHVER-GASCZTMLSA-N 1 0 293.342 2.165 20 5 CEBDRO C[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000863649224 646776286 /nfs/dbraw/zinc/77/62/86/646776286.db2.gz AXYOFPVWBPITOC-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2C3CCC2CC3)cc1 ZINC000776579255 647073759 /nfs/dbraw/zinc/07/37/59/647073759.db2.gz KUOATKQKYDUEFQ-YIZWMMSDSA-N 1 0 262.309 2.255 20 5 CEBDRO C[C@@H]1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776589960 647076128 /nfs/dbraw/zinc/07/61/28/647076128.db2.gz XQINNYNHWCLAOE-GYSYKLTISA-N 1 0 264.325 2.216 20 5 CEBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863399 647366385 /nfs/dbraw/zinc/36/63/85/647366385.db2.gz OQJKOONOFXUGGX-KOLCDFICSA-N 1 0 252.318 2.178 20 5 CEBDRO Cc1nn(C[NH+](CC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000779861222 647366652 /nfs/dbraw/zinc/36/66/52/647366652.db2.gz RCMYMMSETWYZAU-UHFFFAOYSA-N 1 0 264.329 2.179 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000866051024 647588469 /nfs/dbraw/zinc/58/84/69/647588469.db2.gz AVXCFFRVHBCWLE-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CCC1(C)C ZINC000866113275 647615363 /nfs/dbraw/zinc/61/53/63/647615363.db2.gz XZGRQGRFNOOZSH-UHFFFAOYSA-N 1 0 296.346 2.237 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[C@]3(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782404099 647623017 /nfs/dbraw/zinc/62/30/17/647623017.db2.gz TWOAFEODUUJFSC-MEDUHNTESA-N 1 0 299.330 2.270 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCCO ZINC000866282963 647716285 /nfs/dbraw/zinc/71/62/85/647716285.db2.gz QFBDPFYUHDLQBL-WDEREUQCSA-N 1 0 284.331 2.416 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783677741 647747630 /nfs/dbraw/zinc/74/76/30/647747630.db2.gz RMHDUPAYXLYUMI-UHFFFAOYSA-N 1 0 298.726 2.291 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(CO)CC1 ZINC000866372206 647762602 /nfs/dbraw/zinc/76/26/02/647762602.db2.gz PPXKSGZATPQSQB-NSHDSACASA-N 1 0 296.342 2.417 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncccn1 ZINC000866394071 647771346 /nfs/dbraw/zinc/77/13/46/647771346.db2.gz SPHFAXPSJWWDBC-SNVBAGLBSA-N 1 0 290.298 2.245 20 5 CEBDRO CCC[C@H](CC)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943503 647996040 /nfs/dbraw/zinc/99/60/40/647996040.db2.gz XLGARVIFPWTFBI-WFASDCNBSA-N 1 0 293.367 2.464 20 5 CEBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000791052941 648476057 /nfs/dbraw/zinc/47/60/57/648476057.db2.gz PTLYRWMCGBEUGN-CMPLNLGQSA-N 1 0 252.289 2.280 20 5 CEBDRO O=[N+]([O-])CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000791051978 648476334 /nfs/dbraw/zinc/47/63/34/648476334.db2.gz IZYPUHSUUPBLKN-OAHLLOKOSA-N 1 0 278.352 2.025 20 5 CEBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000793260255 648733451 /nfs/dbraw/zinc/73/34/51/648733451.db2.gz HQBKKHIUJRHLSJ-SNVBAGLBSA-N 1 0 296.396 2.079 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024603 649244606 /nfs/dbraw/zinc/24/46/06/649244606.db2.gz UHVDNEMZPPKSCD-QWRGUYRKSA-N 1 0 281.331 2.479 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000872043680 649252822 /nfs/dbraw/zinc/25/28/22/649252822.db2.gz KJMULVUASBUPQK-IUCAKERBSA-N 1 0 297.380 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000872218788 649319762 /nfs/dbraw/zinc/31/97/62/649319762.db2.gz NSWBOMBQKABWQZ-BFHYXJOUSA-N 1 0 282.315 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219488 649320168 /nfs/dbraw/zinc/32/01/68/649320168.db2.gz SKMSSAXCRKROBQ-MJBXVCDLSA-N 1 0 282.315 2.499 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000873132254 649565770 /nfs/dbraw/zinc/56/57/70/649565770.db2.gz MMJNSRGIFLZVNR-LBPRGKRZSA-N 1 0 299.321 2.332 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cs1 ZINC000873229506 649600780 /nfs/dbraw/zinc/60/07/80/649600780.db2.gz BFLCGRFJOFYHGT-CMPLNLGQSA-N 1 0 267.354 2.031 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873297877 649632613 /nfs/dbraw/zinc/63/26/13/649632613.db2.gz FXEZBIXSOLKDCE-GXTWGEPZSA-N 1 0 290.323 2.001 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879564764 651322548 /nfs/dbraw/zinc/32/25/48/651322548.db2.gz LNUFMVPAOMNXBK-ZJUUUORDSA-N 1 0 283.353 2.076 20 5 CEBDRO CCC1(CC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000880094720 651383757 /nfs/dbraw/zinc/38/37/57/651383757.db2.gz NNDBWQXHFSZWGY-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000880130053 651387099 /nfs/dbraw/zinc/38/70/99/651387099.db2.gz BUMAOFYDNGPKSO-CABCVRRESA-N 1 0 293.342 2.402 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148919 651393239 /nfs/dbraw/zinc/39/32/39/651393239.db2.gz PUSYCOMLCCENAI-GFCCVEGCSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(F)CC1 ZINC000880242812 651407887 /nfs/dbraw/zinc/40/78/87/651407887.db2.gz LZPIMFWIRCFCLI-UHFFFAOYSA-N 1 0 268.288 2.408 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880292994 651416564 /nfs/dbraw/zinc/41/65/64/651416564.db2.gz CBBHVGPHOBKINF-NSHDSACASA-N 1 0 298.314 2.274 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429192 651439139 /nfs/dbraw/zinc/43/91/39/651439139.db2.gz UYVLEZYCBCIDRN-LSDHHAIUSA-N 1 0 294.351 2.139 20 5 CEBDRO CC(=O)c1c(N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000882198270 651997304 /nfs/dbraw/zinc/99/73/04/651997304.db2.gz RTOVGGAYOSXBFD-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131050960 652372087 /nfs/dbraw/zinc/37/20/87/652372087.db2.gz QHIZSJWIDZAMHI-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO COC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131997833 652485436 /nfs/dbraw/zinc/48/54/36/652485436.db2.gz XPHNIELCTCGNFL-GFCCVEGCSA-N 1 0 293.367 2.188 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cccc1[N+](=O)[O-] ZINC000132672760 652544413 /nfs/dbraw/zinc/54/44/13/652544413.db2.gz ANAVHUOJUKEFAF-BZPMIXESSA-N 1 0 262.309 2.313 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000133466518 652630938 /nfs/dbraw/zinc/63/09/38/652630938.db2.gz MCUYODZBLKJYQN-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)c1C ZINC000884365125 652816934 /nfs/dbraw/zinc/81/69/34/652816934.db2.gz DRLAFQHAUKTEGB-NWDGAFQWSA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000408472292 721855425 /nfs/dbraw/zinc/85/54/25/721855425.db2.gz UTAVRGHTEUYBBS-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)nc1Cl ZINC001165035259 721889091 /nfs/dbraw/zinc/88/90/91/721889091.db2.gz LLGJXISKLSEUFO-SNVBAGLBSA-N 1 0 298.774 2.482 20 5 CEBDRO CC[NH+](CC)C1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165052178 722000439 /nfs/dbraw/zinc/00/04/39/722000439.db2.gz ODSFICAGGKDSKI-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@@H](C[NH+](C)C)Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227243995 805885837 /nfs/dbraw/zinc/88/58/37/805885837.db2.gz RJHINXKEKMRXKG-ZETCQYMHSA-N 1 0 293.245 2.338 20 5 CEBDRO C[C@@H](CCNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000697869381 806718891 /nfs/dbraw/zinc/71/88/91/806718891.db2.gz GDTZJDPLFBOCCC-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159434496 806809931 /nfs/dbraw/zinc/80/99/31/806809931.db2.gz YPLFYVBJLJTBSW-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO N=c1cc(C[NH3+])ccn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167693536 803551324 /nfs/dbraw/zinc/55/13/24/803551324.db2.gz SFFCKZQIOPONDN-UHFFFAOYSA-N 1 0 294.314 2.477 20 5 CEBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001218384544 803594378 /nfs/dbraw/zinc/59/43/78/803594378.db2.gz PXESQZRUSHIGFM-WKEGUHRASA-N 1 0 276.214 2.353 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000715554831 814978940 /nfs/dbraw/zinc/97/89/40/814978940.db2.gz YHTYMUQNAOOFHK-MNOVXSKESA-N 1 0 264.329 2.275 20 5 CEBDRO CCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269362213 805142008 /nfs/dbraw/zinc/14/20/08/805142008.db2.gz UVQJGVZDCFZEAR-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO CC(C)(NC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001119101659 815070019 /nfs/dbraw/zinc/07/00/19/815070019.db2.gz FVCIOHNAHSJBBN-UHFFFAOYSA-N 1 0 291.351 2.042 20 5 CEBDRO CCC1([NH3+])CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001119316183 815090126 /nfs/dbraw/zinc/09/01/26/815090126.db2.gz DTJJUHOWSCKSSL-UHFFFAOYSA-N 1 0 295.314 2.077 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001119326594 815092317 /nfs/dbraw/zinc/09/23/17/815092317.db2.gz XNEVLKFLWKIBEO-HCKVZZMMSA-N 1 0 291.351 2.074 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001171447799 815129895 /nfs/dbraw/zinc/12/98/95/815129895.db2.gz OEEOZJBPKKTLHN-UHFFFAOYSA-N 1 0 284.279 2.068 20 5 CEBDRO Cc1nn(C[N@@H+](CC2CC2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915207856 807761117 /nfs/dbraw/zinc/76/11/17/807761117.db2.gz HHQCZXJRNRWJRC-UHFFFAOYSA-N 1 0 266.345 2.486 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794300 807849116 /nfs/dbraw/zinc/84/91/16/807849116.db2.gz YMPGPCIHVYMPCT-KWQFWETISA-N 1 0 270.716 2.373 20 5 CEBDRO O=C(CCC1CC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125020304 808319980 /nfs/dbraw/zinc/31/99/80/808319980.db2.gz UHOJWQYCCFCFEO-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO Nc1ccnc(N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168545368 808570467 /nfs/dbraw/zinc/57/04/67/808570467.db2.gz WUJKNCDGWNRBBA-JTQLQIEISA-N 1 0 299.334 2.156 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC001120476089 815226595 /nfs/dbraw/zinc/22/65/95/815226595.db2.gz SMOFHAVWPNTBNE-VXGBXAGGSA-N 1 0 294.351 2.113 20 5 CEBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC001162302285 809301360 /nfs/dbraw/zinc/30/13/60/809301360.db2.gz NPLHUUSAAOQCCN-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000702057654 809491711 /nfs/dbraw/zinc/49/17/11/809491711.db2.gz XSPAMRPZDYUFRX-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702066005 809492167 /nfs/dbraw/zinc/49/21/67/809492167.db2.gz ZBXFMOSXKKDIOR-SCZZXKLOSA-N 1 0 297.742 2.200 20 5 CEBDRO COc1cc(N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1C ZINC000704543302 809737304 /nfs/dbraw/zinc/73/73/04/809737304.db2.gz YFDIMVKIRWBVIY-UHFFFAOYSA-N 1 0 279.340 2.229 20 5 CEBDRO COc1ccc(C[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000709198304 809958010 /nfs/dbraw/zinc/95/80/10/809958010.db2.gz UQEUAKHCKNGIJO-UHFFFAOYSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000710630324 810002062 /nfs/dbraw/zinc/00/20/62/810002062.db2.gz AGNZILQBGIIHCV-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000711081642 810012777 /nfs/dbraw/zinc/01/27/77/810012777.db2.gz CPBPNHNMDADGAS-DGCLKSJQSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000711365645 810063994 /nfs/dbraw/zinc/06/39/94/810063994.db2.gz DYJBDUNPFIPRHY-LLVKDONJSA-N 1 0 277.324 2.087 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)O[C@H](C)C2 ZINC001229976466 810520842 /nfs/dbraw/zinc/52/08/42/810520842.db2.gz RCNRFMRDTBDMBN-VXGBXAGGSA-N 1 0 278.372 2.262 20 5 CEBDRO Cc1nc(Cl)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001154974298 810861369 /nfs/dbraw/zinc/86/13/69/810861369.db2.gz COQWMHDGTVFKPQ-YUMQZZPRSA-N 1 0 285.735 2.028 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712338203 811197879 /nfs/dbraw/zinc/19/78/79/811197879.db2.gz UDQOLFPANMPVFG-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC001168976340 811305167 /nfs/dbraw/zinc/30/51/67/811305167.db2.gz CWYUJBCOOCNCAJ-JMGFVUJMSA-N 1 0 290.363 2.070 20 5 CEBDRO [NH3+][C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979713 811308452 /nfs/dbraw/zinc/30/84/52/811308452.db2.gz ZOFYSELKTHYDNE-YRGRVCCFSA-N 1 0 275.352 2.342 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001168958784 811312547 /nfs/dbraw/zinc/31/25/47/811312547.db2.gz PPOKUPGDZNRQER-AAEUAGOBSA-N 1 0 252.289 2.361 20 5 CEBDRO COc1cccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959190 811313551 /nfs/dbraw/zinc/31/35/51/811313551.db2.gz UNCNHGUTPQPJIG-KGLIPLIRSA-N 1 0 278.352 2.273 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001168959143 811314617 /nfs/dbraw/zinc/31/46/17/811314617.db2.gz UADSLITXLUIWHO-WDEREUQCSA-N 1 0 275.308 2.363 20 5 CEBDRO [NH3+]CCc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965895 811316615 /nfs/dbraw/zinc/31/66/15/811316615.db2.gz DHMJTFCSCCTUGQ-TZMCWYRMSA-N 1 0 263.341 2.045 20 5 CEBDRO COc1ccccc1OCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967175 811318733 /nfs/dbraw/zinc/31/87/33/811318733.db2.gz NWRQVMKNBCGUQN-CHWSQXEVSA-N 1 0 294.351 2.109 20 5 CEBDRO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967914 811319706 /nfs/dbraw/zinc/31/97/06/811319706.db2.gz UMWNUYQUNFKJKM-TZMCWYRMSA-N 1 0 292.335 2.008 20 5 CEBDRO CN(C)[C@H](C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968348 811320281 /nfs/dbraw/zinc/32/02/81/811320281.db2.gz XWVXYFCEQZNXII-VNQPRFMTSA-N 1 0 291.395 2.324 20 5 CEBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(F)(F)C1 ZINC001168973998 811321436 /nfs/dbraw/zinc/32/14/36/811321436.db2.gz PXFGLZSJFDALGJ-NXEZZACHSA-N 1 0 262.300 2.457 20 5 CEBDRO COc1cccc(OC)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974625 811324019 /nfs/dbraw/zinc/32/40/19/811324019.db2.gz RKEKYSSUAKSYGF-NWDGAFQWSA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001168997379 811326852 /nfs/dbraw/zinc/32/68/52/811326852.db2.gz CSGJJFLCGLMQJA-VXGBXAGGSA-N 1 0 278.356 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169005252 811330987 /nfs/dbraw/zinc/33/09/87/811330987.db2.gz ABUFBAQIRNHMQO-GDBMZVCRSA-N 1 0 295.427 2.382 20 5 CEBDRO CC[N@H+](Cc1ccncc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006720 811331617 /nfs/dbraw/zinc/33/16/17/811331617.db2.gz JEUHFJYXYRCGEM-KGLIPLIRSA-N 1 0 263.341 2.349 20 5 CEBDRO COc1ccc2c(c1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169006623 811332770 /nfs/dbraw/zinc/33/27/70/811332770.db2.gz IRINQJILLSGLIA-SWLSCSKDSA-N 1 0 290.363 2.499 20 5 CEBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001169013611 811333724 /nfs/dbraw/zinc/33/37/24/811333724.db2.gz VRMQTDKMAVUART-OUAUKWLOSA-N 1 0 262.300 2.409 20 5 CEBDRO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988635 811337224 /nfs/dbraw/zinc/33/72/24/811337224.db2.gz TYBLZDFLIIXXTK-KWCYVHTRSA-N 1 0 278.352 2.358 20 5 CEBDRO CCCOC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030296 811343147 /nfs/dbraw/zinc/34/31/47/811343147.db2.gz YEGPGUXBWSIOSF-OLZOCXBDSA-N 1 0 270.373 2.323 20 5 CEBDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035159 811346185 /nfs/dbraw/zinc/34/61/85/811346185.db2.gz ATUWXBCVUAYGJR-YIYPIFLZSA-N 1 0 298.383 2.095 20 5 CEBDRO COC(=O)CC[N@H+](C1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026334 811354167 /nfs/dbraw/zinc/35/41/67/811354167.db2.gz KWVLLVLISBOIPQ-TZMCWYRMSA-N 1 0 298.383 2.240 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C1 ZINC001169050638 811356070 /nfs/dbraw/zinc/35/60/70/811356070.db2.gz CBYXWAUOBAADDG-FRRDWIJNSA-N 1 0 276.340 2.059 20 5 CEBDRO Cc1ncccc1C[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046885 811356386 /nfs/dbraw/zinc/35/63/86/811356386.db2.gz ODAQHTYXUFFYOF-GXTWGEPZSA-N 1 0 263.341 2.267 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001169232038 811446319 /nfs/dbraw/zinc/44/63/19/811446319.db2.gz ZIJAZMAKGLFZRI-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO CN(c1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@]1(C)CCC[NH2+]C1 ZINC001156967563 811975649 /nfs/dbraw/zinc/97/56/49/811975649.db2.gz BNBKGCYEBXJUBO-CQSZACIVSA-N 1 0 289.339 2.049 20 5 CEBDRO O=[N+]([O-])c1cc(NC[C@@H]2COCC[NH2+]2)cc2ccccc21 ZINC001170047725 812003760 /nfs/dbraw/zinc/00/37/60/812003760.db2.gz RETAFQHRZJEIAM-CYBMUJFWSA-N 1 0 287.319 2.148 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC001170295246 812375899 /nfs/dbraw/zinc/37/58/99/812375899.db2.gz BWBJYTCFZFGPPW-NWDGAFQWSA-N 1 0 295.383 2.074 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC2(C)COC2)c([N+](=O)[O-])c1 ZINC001170300238 812378623 /nfs/dbraw/zinc/37/86/23/812378623.db2.gz YTEMJIREMXWTCB-NSHDSACASA-N 1 0 294.351 2.161 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063167310 812382691 /nfs/dbraw/zinc/38/26/91/812382691.db2.gz VQHQRFJNSKBEQQ-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170310431 812383734 /nfs/dbraw/zinc/38/37/34/812383734.db2.gz VUIOYUBUFZPQFR-ZBINZKHDSA-N 1 0 294.351 2.037 20 5 CEBDRO COCC[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329850 812388754 /nfs/dbraw/zinc/38/87/54/812388754.db2.gz VVJAIKJDCCHABX-LLVKDONJSA-N 1 0 282.340 2.113 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170308200 812391947 /nfs/dbraw/zinc/39/19/47/812391947.db2.gz MIHVQWIJERJRJT-MPKXVKKWSA-N 1 0 294.351 2.301 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CO)CCC1)CC2 ZINC001172899659 815539441 /nfs/dbraw/zinc/53/94/41/815539441.db2.gz DLMSMPQPJSXNPR-AWEZNQCLSA-N 1 0 290.363 2.347 20 5 CEBDRO CC(C)N(c1cc(Cl)ncc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158023156 812594051 /nfs/dbraw/zinc/59/40/51/812594051.db2.gz UFFFTBQQBAPRAH-VIFPVBQESA-N 1 0 284.747 2.220 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCCO)CC2 ZINC001172895649 815542922 /nfs/dbraw/zinc/54/29/22/815542922.db2.gz GTZGXPPVOWOWGC-CQSZACIVSA-N 1 0 278.352 2.204 20 5 CEBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001158563030 812809711 /nfs/dbraw/zinc/80/97/11/812809711.db2.gz SLOZGBAZUZLXPE-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170870997 813567815 /nfs/dbraw/zinc/56/78/15/813567815.db2.gz WXYBWRNSFGGYLC-LLVKDONJSA-N 1 0 273.720 2.026 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001170890958 813619708 /nfs/dbraw/zinc/61/97/08/813619708.db2.gz QEDCOYIAWAOKBQ-SECBINFHSA-N 1 0 260.297 2.292 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170888858 813619926 /nfs/dbraw/zinc/61/99/26/813619926.db2.gz DZJCISNOEJOXKB-SECBINFHSA-N 1 0 266.345 2.437 20 5 CEBDRO CC(C)([NH3+])CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160025818 813720816 /nfs/dbraw/zinc/72/08/16/813720816.db2.gz YHMWXYAWTDFBDV-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000754078812 814117787 /nfs/dbraw/zinc/11/77/87/814117787.db2.gz APWDFMFJIKHUKQ-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000699592817 814664600 /nfs/dbraw/zinc/66/46/00/814664600.db2.gz JLEUFPKCCINWNG-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001116037559 814765463 /nfs/dbraw/zinc/76/54/63/814765463.db2.gz TZAGMMLGRLJSHZ-NXEZZACHSA-N 1 0 297.380 2.259 20 5 CEBDRO [NH3+]CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)(F)F ZINC000713315622 814849501 /nfs/dbraw/zinc/84/95/01/814849501.db2.gz LQOBKDCTHIHYGS-UHFFFAOYSA-N 1 0 295.236 2.057 20 5 CEBDRO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000714068124 814886412 /nfs/dbraw/zinc/88/64/12/814886412.db2.gz PYRIVNFSIZDEJU-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[C@@H](C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[NH+](C)C ZINC001124044328 815591467 /nfs/dbraw/zinc/59/14/67/815591467.db2.gz RXVQZTWNAKKOOV-LBPRGKRZSA-N 1 0 265.313 2.182 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C(C)(C)C[NH3+] ZINC001173220309 815625881 /nfs/dbraw/zinc/62/58/81/815625881.db2.gz XZOHMTNPJCRRAE-LLVKDONJSA-N 1 0 265.357 2.195 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001173221251 815625898 /nfs/dbraw/zinc/62/58/98/815625898.db2.gz GQTPFPISQUMKKL-JMSVASOKSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC001173221972 815626150 /nfs/dbraw/zinc/62/61/50/815626150.db2.gz OBCJROJGAPRKIR-LALPHHSUSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cncc2C1 ZINC001173234004 815632722 /nfs/dbraw/zinc/63/27/22/815632722.db2.gz NVNLCGWOZSVHQU-GFCCVEGCSA-N 1 0 286.335 2.238 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)(C)C ZINC000449070754 282087996 /nfs/dbraw/zinc/08/79/96/282087996.db2.gz FIGFTLWULTWDRI-LLVKDONJSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cccn1 ZINC000449071550 282088202 /nfs/dbraw/zinc/08/82/02/282088202.db2.gz HVTVHLSEVQVPIY-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnc1 ZINC000449062690 282085637 /nfs/dbraw/zinc/08/56/37/282085637.db2.gz JURAJLPDRNEZNH-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289891 346813755 /nfs/dbraw/zinc/81/37/55/346813755.db2.gz VVIHSXNBNHWZKH-JBLDHEPKSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H](O)C(F)F ZINC000601298717 346815074 /nfs/dbraw/zinc/81/50/74/346815074.db2.gz JKPMFSJJJOEDBP-ZYHUDNBSSA-N 1 0 286.278 2.188 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)(F)F ZINC000449092962 282097363 /nfs/dbraw/zinc/09/73/63/282097363.db2.gz NJLIAWUJKRRHGD-LDYMZIIASA-N 1 0 292.257 2.039 20 5 CEBDRO Cc1ccc(C[NH2+]CCN2CCCC2)cc1[N+](=O)[O-] ZINC000035013041 361803873 /nfs/dbraw/zinc/80/38/73/361803873.db2.gz QDNWTWYZDSPEMA-UHFFFAOYSA-N 1 0 263.341 2.089 20 5 CEBDRO CC(C)(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000122071945 365625256 /nfs/dbraw/zinc/62/52/56/365625256.db2.gz CGWBISNWCWVWTP-UHFFFAOYSA-N 1 0 272.732 2.356 20 5 CEBDRO [NH3+]Cc1ccc2c(c1)N(Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000601323655 346820568 /nfs/dbraw/zinc/82/05/68/346820568.db2.gz DAIKBSLDCOCSGM-UHFFFAOYSA-N 1 0 299.330 2.453 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449194157 282138279 /nfs/dbraw/zinc/13/82/79/282138279.db2.gz OQHCQDWTGJUOSK-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449205303 282141287 /nfs/dbraw/zinc/14/12/87/282141287.db2.gz NYKIZZQDEHVYMV-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1C ZINC000449217141 282145041 /nfs/dbraw/zinc/14/50/41/282145041.db2.gz XDQIYORMZIBNBU-WZRBSPASSA-N 1 0 264.325 2.293 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655337 361919406 /nfs/dbraw/zinc/91/94/06/361919406.db2.gz CFSPGFGBNONKEZ-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751760 361928633 /nfs/dbraw/zinc/92/86/33/361928633.db2.gz ANRAAQMQDRQAQG-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000080607161 344016078 /nfs/dbraw/zinc/01/60/78/344016078.db2.gz NVIYHSUDEGXAQJ-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414528251 529632804 /nfs/dbraw/zinc/63/28/04/529632804.db2.gz NXZAVSPLFGBZSK-JSGCOSHPSA-N 1 0 266.341 2.480 20 5 CEBDRO CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000042588954 362104951 /nfs/dbraw/zinc/10/49/51/362104951.db2.gz OYNAHPFZQSZCBU-AWEZNQCLSA-N 1 0 293.367 2.301 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126365212 187235178 /nfs/dbraw/zinc/23/51/78/187235178.db2.gz YGLUHRSVFGLKDR-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000126504140 187244523 /nfs/dbraw/zinc/24/45/23/187244523.db2.gz BDXRYBJYZSDKDK-UHIISALHSA-N 1 0 291.351 2.160 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449493570 282257060 /nfs/dbraw/zinc/25/70/60/282257060.db2.gz FDINYSBHTRBAGD-RISCZKNCSA-N 1 0 264.325 2.452 20 5 CEBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030149895 343403388 /nfs/dbraw/zinc/40/33/88/343403388.db2.gz QCVNNANHWIMSRG-SNVBAGLBSA-N 1 0 279.340 2.170 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCC[NH2+]CC3)c21 ZINC000601985513 346950594 /nfs/dbraw/zinc/95/05/94/346950594.db2.gz XVZGFHLPPVNOSQ-JTQLQIEISA-N 1 0 287.323 2.092 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000063490170 343678091 /nfs/dbraw/zinc/67/80/91/343678091.db2.gz MOQILNISLUVFJS-LBPRGKRZSA-N 1 0 291.351 2.055 20 5 CEBDRO CC(C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000065962005 343705059 /nfs/dbraw/zinc/70/50/59/343705059.db2.gz OSDCQNOWDPICFU-UHFFFAOYSA-N 1 0 291.351 2.072 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066137727 343708032 /nfs/dbraw/zinc/70/80/32/343708032.db2.gz FHIYRRIIKCSKIQ-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO Cc1nccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069754234 343790718 /nfs/dbraw/zinc/79/07/18/343790718.db2.gz UVCKZPCRAGMOLE-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602174739 346988291 /nfs/dbraw/zinc/98/82/91/346988291.db2.gz TYAMHWHLGXEUQR-STQMWFEESA-N 1 0 291.351 2.053 20 5 CEBDRO Cc1cccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449638021 282314144 /nfs/dbraw/zinc/31/41/44/282314144.db2.gz IYGLWNVSYZKMOI-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO CCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000048347043 362259766 /nfs/dbraw/zinc/25/97/66/362259766.db2.gz KNIHGUPZFRHPHU-UHFFFAOYSA-N 1 0 266.341 2.498 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090661286 344142486 /nfs/dbraw/zinc/14/24/86/344142486.db2.gz YDCCLVCVRQNNJM-GFCCVEGCSA-N 1 0 294.351 2.035 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)C1 ZINC000127197200 187288604 /nfs/dbraw/zinc/28/86/04/187288604.db2.gz AVQZCSAVGFGRMV-NWDGAFQWSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000092969753 344208515 /nfs/dbraw/zinc/20/85/15/344208515.db2.gz WMSWIVKIPXBCEA-LBPRGKRZSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000093481338 344224756 /nfs/dbraw/zinc/22/47/56/344224756.db2.gz NWBMVMNGTPANHM-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C1CC1)[NH+](C)C ZINC000092650593 344197601 /nfs/dbraw/zinc/19/76/01/344197601.db2.gz FSDPGBQZXNETGK-LBPRGKRZSA-N 1 0 264.329 2.050 20 5 CEBDRO CCC1(C)CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602465481 347044344 /nfs/dbraw/zinc/04/43/44/347044344.db2.gz QSYRAPYZRBTHRK-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)O ZINC000119046197 344293415 /nfs/dbraw/zinc/29/34/15/344293415.db2.gz AHGWRFVDTFIZNG-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128448607 344336457 /nfs/dbraw/zinc/33/64/57/344336457.db2.gz VEIDERGUZLOLQW-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO Cc1cccc(C(=O)NCCC[NH2+]C(C)C)c1[N+](=O)[O-] ZINC000151751647 344423031 /nfs/dbraw/zinc/42/30/31/344423031.db2.gz QYWYHKIMBQTAAO-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO C[NH2+]CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414817276 529978195 /nfs/dbraw/zinc/97/81/95/529978195.db2.gz ALNPTVYDANVJAL-UHFFFAOYSA-N 1 0 275.308 2.164 20 5 CEBDRO COc1cccc(NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000134914118 344378653 /nfs/dbraw/zinc/37/86/53/344378653.db2.gz XHEHMWZWMJHHFZ-NSHDSACASA-N 1 0 279.340 2.357 20 5 CEBDRO Cc1cc(C(=O)N2CCC(CC[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000137111564 344386688 /nfs/dbraw/zinc/38/66/88/344386688.db2.gz JVMURJDCAHSNCJ-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO O=C(NCCC[NH2+]C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165824026 344474929 /nfs/dbraw/zinc/47/49/29/344474929.db2.gz ODJXULCEWHHYIU-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO Cc1nc(N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000273194803 192072079 /nfs/dbraw/zinc/07/20/79/192072079.db2.gz DJKKZZIZXZOUHB-GFCCVEGCSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000050163153 362407195 /nfs/dbraw/zinc/40/71/95/362407195.db2.gz FDLLNFTZKBIXEQ-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229955876 344569472 /nfs/dbraw/zinc/56/94/72/344569472.db2.gz WALGWZDXKQQNJT-NSHDSACASA-N 1 0 275.312 2.035 20 5 CEBDRO CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000229897636 344569487 /nfs/dbraw/zinc/56/94/87/344569487.db2.gz JFYYQZXYJZJNFZ-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965009 344569782 /nfs/dbraw/zinc/56/97/82/344569782.db2.gz HBRHVHRCQRFSCC-GFCCVEGCSA-N 1 0 275.312 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCOCC2)cc1 ZINC000052172313 362468718 /nfs/dbraw/zinc/46/87/18/362468718.db2.gz YQVGPMKACHVTTD-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCCCC1 ZINC000053097390 362481673 /nfs/dbraw/zinc/48/16/73/362481673.db2.gz OBCUIWMODGDIKM-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449747325 282351894 /nfs/dbraw/zinc/35/18/94/282351894.db2.gz IVMPNZSPQYDYHR-LLVKDONJSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000285939576 344678990 /nfs/dbraw/zinc/67/89/90/344678990.db2.gz FQVKRWUMXLHVBU-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602529949 347068004 /nfs/dbraw/zinc/06/80/04/347068004.db2.gz QZQUFKCHWXAGGE-ZDUSSCGKSA-N 1 0 290.367 2.347 20 5 CEBDRO C[C@@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000310684742 344730773 /nfs/dbraw/zinc/73/07/73/344730773.db2.gz LGNZTHFCJPHUSB-HTQZYQBOSA-N 1 0 270.720 2.196 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCC[NH2+]CC1 ZINC000310686164 344730867 /nfs/dbraw/zinc/73/08/67/344730867.db2.gz MMCPBMHBGGHDDN-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000293346442 344691895 /nfs/dbraw/zinc/69/18/95/344691895.db2.gz YZHRGUUKONXZLP-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602525539 347066864 /nfs/dbraw/zinc/06/68/64/347066864.db2.gz CQZRTAODHFNAKQ-NSHDSACASA-N 1 0 297.380 2.035 20 5 CEBDRO C[N@H+](CCNc1c(Cl)cncc1[N+](=O)[O-])C1CC1 ZINC000306100498 344711855 /nfs/dbraw/zinc/71/18/55/344711855.db2.gz PBUQMZGKDFUQIM-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO CCCCN(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602568957 347081888 /nfs/dbraw/zinc/08/18/88/347081888.db2.gz ZTQJNJBBLNMLRE-UHFFFAOYSA-N 1 0 279.384 2.459 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449764921 282359585 /nfs/dbraw/zinc/35/95/85/282359585.db2.gz FJBBYWGDMWRTST-FAQJLRJSSA-N 1 0 276.336 2.311 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404411862 344880316 /nfs/dbraw/zinc/88/03/16/344880316.db2.gz YGJZWIRUOPUNRB-FZMZJTMJSA-N 1 0 291.351 2.184 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000589498130 345084434 /nfs/dbraw/zinc/08/44/34/345084434.db2.gz OCQXMJZCWNUUEY-SNVBAGLBSA-N 1 0 278.308 2.366 20 5 CEBDRO CC(C)(C)[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000588963748 345062715 /nfs/dbraw/zinc/06/27/15/345062715.db2.gz ODKUKTRPHMFGDE-CQSZACIVSA-N 1 0 278.352 2.360 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590011362 345110281 /nfs/dbraw/zinc/11/02/81/345110281.db2.gz INMSSCAQKZWFCI-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590656291 345155791 /nfs/dbraw/zinc/15/57/91/345155791.db2.gz GAOXSVPLBYNONF-VIFPVBQESA-N 1 0 278.308 2.254 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000590663655 345157334 /nfs/dbraw/zinc/15/73/34/345157334.db2.gz NKFYSDCRXLRHCQ-UONOGXRCSA-N 1 0 276.336 2.452 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000591147468 345225178 /nfs/dbraw/zinc/22/51/78/345225178.db2.gz CODBXWCVKFJCTK-MFKMUULPSA-N 1 0 296.346 2.295 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000591243840 345233987 /nfs/dbraw/zinc/23/39/87/345233987.db2.gz BSMCEZPKYDTASC-NEPJUHHUSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[NH2+][C@H]3C2)cccc1[N+](=O)[O-] ZINC000591448683 345257212 /nfs/dbraw/zinc/25/72/12/345257212.db2.gz NNTOHHHSWJICFM-OCCSQVGLSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448129 345257247 /nfs/dbraw/zinc/25/72/47/345257247.db2.gz DBCIHUOBPHQKFB-MBNYWOFBSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2ccncc21 ZINC000591437364 345254368 /nfs/dbraw/zinc/25/43/68/345254368.db2.gz GQCTXLRGTKOJFK-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000591439663 345254852 /nfs/dbraw/zinc/25/48/52/345254852.db2.gz OMEINJJNPAHBBZ-OAHLLOKOSA-N 1 0 290.367 2.187 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000591473608 345260937 /nfs/dbraw/zinc/26/09/37/345260937.db2.gz IZLABVSGZHLTKR-COPLHBTASA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]([NH3+])CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581322 345266876 /nfs/dbraw/zinc/26/68/76/345266876.db2.gz PVXKZWBXKNBVRM-RNCFNFMXSA-N 1 0 263.341 2.254 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C=CCCC2)c1 ZINC000591752094 345276937 /nfs/dbraw/zinc/27/69/37/345276937.db2.gz UNBZJBPUABSIEK-TZMCWYRMSA-N 1 0 292.335 2.033 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592432280 345352644 /nfs/dbraw/zinc/35/26/44/345352644.db2.gz ALEMPILUMWHOQC-KGLIPLIRSA-N 1 0 275.352 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000592437321 345353415 /nfs/dbraw/zinc/35/34/15/345353415.db2.gz HEMIJLDETPJSGB-AWEZNQCLSA-N 1 0 293.342 2.498 20 5 CEBDRO C[C@H](CCO)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593108858 345441330 /nfs/dbraw/zinc/44/13/30/345441330.db2.gz DVQIBHXOJZKHOJ-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593187903 345451093 /nfs/dbraw/zinc/45/10/93/345451093.db2.gz VVZYKIXEYKIBNQ-AEJSXWLSSA-N 1 0 297.380 2.209 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CCF)c(Cl)c1 ZINC000593685485 345520711 /nfs/dbraw/zinc/52/07/11/345520711.db2.gz IKEKDOGVZLUWLP-VIFPVBQESA-N 1 0 276.695 2.058 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594424348 345625042 /nfs/dbraw/zinc/62/50/42/345625042.db2.gz BFSFPMAXYBPCJK-NHYWBVRUSA-N 1 0 289.335 2.231 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594592790 345654420 /nfs/dbraw/zinc/65/44/20/345654420.db2.gz XGKSDRSHKQHMJB-JGZJWPJOSA-N 1 0 267.304 2.486 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000595103299 345742750 /nfs/dbraw/zinc/74/27/50/345742750.db2.gz KZGXDAIJCKPBCZ-NGFQHRJXSA-N 1 0 290.363 2.419 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595105755 345742868 /nfs/dbraw/zinc/74/28/68/345742868.db2.gz XZGUTXNORIATKB-DLOVCJGASA-N 1 0 280.324 2.167 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595307148 345759287 /nfs/dbraw/zinc/75/92/87/345759287.db2.gz SQQDBRNQGWYTQZ-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307011 345759446 /nfs/dbraw/zinc/75/94/46/345759446.db2.gz QZHVPKYSBQDNQW-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917037 345700853 /nfs/dbraw/zinc/70/08/53/345700853.db2.gz FYIKOZGVMALAHV-NWDGAFQWSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000594993823 345723308 /nfs/dbraw/zinc/72/33/08/345723308.db2.gz HIUIZLFPDYUWMM-UHFFFAOYSA-N 1 0 290.298 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000595014345 345726579 /nfs/dbraw/zinc/72/65/79/345726579.db2.gz OQCZXOSGJRWBNB-ZDUSSCGKSA-N 1 0 272.308 2.416 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)O ZINC000595041486 345733321 /nfs/dbraw/zinc/73/33/21/345733321.db2.gz MCWVZNRJPYGCAL-KWBADKCTSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@H](C)O ZINC000595044934 345734008 /nfs/dbraw/zinc/73/40/08/345734008.db2.gz ALSOEMNLWKOBLK-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000595050100 345734966 /nfs/dbraw/zinc/73/49/66/345734966.db2.gz GJFVFFUEHZHUFR-UHIISALHSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C/C=C/CO)cccc1[N+](=O)[O-] ZINC000595067639 345738618 /nfs/dbraw/zinc/73/86/18/345738618.db2.gz HGLZMFKUEBQEFD-UFFNRZRYSA-N 1 0 250.298 2.102 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539949 345806956 /nfs/dbraw/zinc/80/69/56/345806956.db2.gz FJCDIGPNRXQLNF-PWSUYJOCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553544 345811653 /nfs/dbraw/zinc/81/16/53/345811653.db2.gz XQNHXLHGDHYVSB-WDEREUQCSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313117 345760855 /nfs/dbraw/zinc/76/08/55/345760855.db2.gz WLOAXLQLFLJMPN-JTQLQIEISA-N 1 0 278.287 2.109 20 5 CEBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000595387224 345772602 /nfs/dbraw/zinc/77/26/02/345772602.db2.gz BYGIPVNAABKTJI-FZMZJTMJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407843 345776013 /nfs/dbraw/zinc/77/60/13/345776013.db2.gz HJHWAAMEDSOYRJ-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1noc(C[N@@H+]([C@@H](C)CO)C2CCCC2)c1[N+](=O)[O-] ZINC000595452014 345785838 /nfs/dbraw/zinc/78/58/38/345785838.db2.gz GFLUELLXKLUXNJ-VIFPVBQESA-N 1 0 283.328 2.017 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456512 345787504 /nfs/dbraw/zinc/78/75/04/345787504.db2.gz YZPLZQRVHLSCAX-NOZJJQNGSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000595521547 345802706 /nfs/dbraw/zinc/80/27/06/345802706.db2.gz DTZDUJUGKXJLKL-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595867406 345901481 /nfs/dbraw/zinc/90/14/81/345901481.db2.gz MQQCJIGGNJOMOM-NWDGAFQWSA-N 1 0 266.345 2.444 20 5 CEBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595874396 345903970 /nfs/dbraw/zinc/90/39/70/345903970.db2.gz ODXOSJDFSGXGFY-SWLSCSKDSA-N 1 0 278.352 2.088 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907049 345910731 /nfs/dbraw/zinc/91/07/31/345910731.db2.gz DVGPSEGKYMFHIC-LDYMZIIASA-N 1 0 291.273 2.477 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCCC[NH2+]C1CC1 ZINC000596014085 345923319 /nfs/dbraw/zinc/92/33/19/345923319.db2.gz MORIWLREIAQYHB-UHFFFAOYSA-N 1 0 265.313 2.157 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000097436350 185604133 /nfs/dbraw/zinc/60/41/33/185604133.db2.gz GZSANWPXATVLNL-GHMZBOCLSA-N 1 0 252.314 2.264 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306913 345995248 /nfs/dbraw/zinc/99/52/48/345995248.db2.gz JQEXTURFETZTIQ-NSHDSACASA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000596277171 345989669 /nfs/dbraw/zinc/98/96/69/345989669.db2.gz AWOGCQMSPKXOBY-JTQLQIEISA-N 1 0 269.370 2.495 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)c1 ZINC000596431827 346021822 /nfs/dbraw/zinc/02/18/22/346021822.db2.gz NHLPYBFUFFADPB-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000128316483 187363499 /nfs/dbraw/zinc/36/34/99/187363499.db2.gz UORHVQHYVCGNHT-UHFFFAOYSA-N 1 0 295.314 2.404 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596480772 346034240 /nfs/dbraw/zinc/03/42/40/346034240.db2.gz IYMWVZUAHZBOSL-GFCCVEGCSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000597229289 346154998 /nfs/dbraw/zinc/15/49/98/346154998.db2.gz KRTKMHOIAJIUIS-UHFFFAOYSA-N 1 0 262.309 2.126 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085362715 179034022 /nfs/dbraw/zinc/03/40/22/179034022.db2.gz PNCNWMPDVDJHRT-RYUDHWBXSA-N 1 0 277.324 2.359 20 5 CEBDRO Cc1c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682514 346400323 /nfs/dbraw/zinc/40/03/23/346400323.db2.gz OAJHYZVNBZZROJ-ZFWWWQNUSA-N 1 0 275.352 2.216 20 5 CEBDRO CN1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000599013574 346445945 /nfs/dbraw/zinc/44/59/45/346445945.db2.gz KUYNNJGMNOGTPV-ZBKLQPJUSA-N 1 0 275.352 2.292 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000599015769 346446356 /nfs/dbraw/zinc/44/63/56/346446356.db2.gz OSJKPELRWGSOQR-INJBESJKSA-N 1 0 262.309 2.375 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000598915401 346433961 /nfs/dbraw/zinc/43/39/61/346433961.db2.gz LIENYDLKAKXDOO-UHFFFAOYSA-N 1 0 296.302 2.127 20 5 CEBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598988375 346442487 /nfs/dbraw/zinc/44/24/87/346442487.db2.gz QSGAFWMQDUKVCS-RISCZKNCSA-N 1 0 262.309 2.252 20 5 CEBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598988340 346442615 /nfs/dbraw/zinc/44/26/15/346442615.db2.gz OVOUPHJKJFNBRI-YGRLFVJLSA-N 1 0 280.299 2.391 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126400 346463754 /nfs/dbraw/zinc/46/37/54/346463754.db2.gz GGRLOJCOVQSWKV-LBPRGKRZSA-N 1 0 293.371 2.147 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000602600196 347094530 /nfs/dbraw/zinc/09/45/30/347094530.db2.gz NJHMIRXNTGSIHF-RAIGVLPGSA-N 1 0 278.356 2.339 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000062999688 362739467 /nfs/dbraw/zinc/73/94/67/362739467.db2.gz GJTUMPKYGHDKBX-HNNXBMFYSA-N 1 0 272.304 2.418 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(C)COC1 ZINC000599571599 346539770 /nfs/dbraw/zinc/53/97/70/346539770.db2.gz NHDVTTHXHNPENN-UHFFFAOYSA-N 1 0 268.288 2.202 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000599606211 346545111 /nfs/dbraw/zinc/54/51/11/346545111.db2.gz MDCSHDRIHQXFMZ-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000599623328 346547040 /nfs/dbraw/zinc/54/70/40/346547040.db2.gz INMDSVQNIBYTOL-NWJSVONSSA-N 1 0 294.351 2.375 20 5 CEBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599702365 346572097 /nfs/dbraw/zinc/57/20/97/346572097.db2.gz MPIHYSXNMKJQEG-HNNXBMFYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H](O)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000270727422 190789661 /nfs/dbraw/zinc/78/96/61/190789661.db2.gz QCYTXYMPGSGWQK-IOCXFXADSA-N 1 0 264.325 2.357 20 5 CEBDRO CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986487 346589480 /nfs/dbraw/zinc/58/94/80/346589480.db2.gz VFWQFZHPTVQKLT-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1c([C@@H](C)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000600709628 346675267 /nfs/dbraw/zinc/67/52/67/346675267.db2.gz OQRBIOGJGZDTOR-GFCCVEGCSA-N 1 0 293.367 2.062 20 5 CEBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000600782891 346689203 /nfs/dbraw/zinc/68/92/03/346689203.db2.gz OFUBUFUMCQKMBV-UHFFFAOYSA-N 1 0 284.315 2.400 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000600822932 346696770 /nfs/dbraw/zinc/69/67/70/346696770.db2.gz CQKLBIPGVIJKRN-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000336811726 365850288 /nfs/dbraw/zinc/85/02/88/365850288.db2.gz OGZNGWFYLSJKHJ-UHFFFAOYSA-N 1 0 268.288 2.393 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000601188193 346781157 /nfs/dbraw/zinc/78/11/57/346781157.db2.gz CYMZQTMCGKWFLF-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000336814977 365856496 /nfs/dbraw/zinc/85/64/96/365856496.db2.gz YKXQCUFFIDLWRE-LLVKDONJSA-N 1 0 266.341 2.496 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601108596 346754970 /nfs/dbraw/zinc/75/49/70/346754970.db2.gz KOUCPUXTXUSOJS-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227561 346795782 /nfs/dbraw/zinc/79/57/82/346795782.db2.gz VCISMGSGSRAOJU-MFKMUULPSA-N 1 0 292.339 2.151 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601229179 346796353 /nfs/dbraw/zinc/79/63/53/346796353.db2.gz HSBNFRWWZAHXRX-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602677099 347138846 /nfs/dbraw/zinc/13/88/46/347138846.db2.gz SFPVURCCKPWICV-RYUDHWBXSA-N 1 0 278.356 2.339 20 5 CEBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CO1 ZINC000602704430 347159363 /nfs/dbraw/zinc/15/93/63/347159363.db2.gz DLAJNFJIDXTTGX-VIFPVBQESA-N 1 0 291.307 2.393 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000128467745 187371780 /nfs/dbraw/zinc/37/17/80/187371780.db2.gz PKTKOLDYHASSOM-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667127 347132360 /nfs/dbraw/zinc/13/23/60/347132360.db2.gz NTKUDPPGPWINCH-XJKSGUPXSA-N 1 0 291.395 2.409 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783194 347196206 /nfs/dbraw/zinc/19/62/06/347196206.db2.gz NOIFHGQTOHTUQN-MDZLAQPJSA-N 1 0 278.356 2.481 20 5 CEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602726815 347172975 /nfs/dbraw/zinc/17/29/75/347172975.db2.gz ZOZGDXIHIQNRHT-NHYWBVRUSA-N 1 0 292.335 2.226 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc[nH]1 ZINC000602729744 347175573 /nfs/dbraw/zinc/17/55/73/347175573.db2.gz CDQCAGXRPQQZJU-LLVKDONJSA-N 1 0 274.324 2.429 20 5 CEBDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602760405 347186958 /nfs/dbraw/zinc/18/69/58/347186958.db2.gz SSIFYDFOFOMEGM-RYUDHWBXSA-N 1 0 264.325 2.452 20 5 CEBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829473 347216625 /nfs/dbraw/zinc/21/66/25/347216625.db2.gz JDSROHXQIYILQY-NEPJUHHUSA-N 1 0 298.412 2.364 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000602834582 347218280 /nfs/dbraw/zinc/21/82/80/347218280.db2.gz UJBMDVIBTVDVFN-GFCCVEGCSA-N 1 0 296.371 2.108 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000602894420 347240603 /nfs/dbraw/zinc/24/06/03/347240603.db2.gz GQWPCMNSKHHFJF-LBPRGKRZSA-N 1 0 284.335 2.171 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cs1 ZINC000085978269 179208415 /nfs/dbraw/zinc/20/84/15/179208415.db2.gz OHECHIXXRFLPFW-WDEREUQCSA-N 1 0 270.354 2.297 20 5 CEBDRO CC(C)(C)OCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962102 347257694 /nfs/dbraw/zinc/25/76/94/347257694.db2.gz GWLUBJDDASTKSX-OAHLLOKOSA-N 1 0 296.367 2.207 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000086014605 179215243 /nfs/dbraw/zinc/21/52/43/179215243.db2.gz QPQRFCZMFYDDBN-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+]C2CC2)nn1 ZINC000603186977 347303304 /nfs/dbraw/zinc/30/33/04/347303304.db2.gz YKASQKIFRZIATD-SNVBAGLBSA-N 1 0 287.323 2.048 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000603406443 347361554 /nfs/dbraw/zinc/36/15/54/347361554.db2.gz LVCYYZBDRNUWEW-GHMZBOCLSA-N 1 0 264.329 2.130 20 5 CEBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000609707998 347649459 /nfs/dbraw/zinc/64/94/59/347649459.db2.gz VFBGDHJETPLEJR-BPOWMSRESA-N 1 0 264.325 2.357 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)C1CC1 ZINC000610476413 347683400 /nfs/dbraw/zinc/68/34/00/347683400.db2.gz UPRXMMFNQANSHP-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000610571746 347692825 /nfs/dbraw/zinc/69/28/25/347692825.db2.gz GMCQQGMATCXNCC-ZDUSSCGKSA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000610664928 347699676 /nfs/dbraw/zinc/69/96/76/347699676.db2.gz FJCVMQMQJWIYDB-CMPLNLGQSA-N 1 0 266.345 2.268 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000611408112 347774524 /nfs/dbraw/zinc/77/45/24/347774524.db2.gz QXYGZKIREHKFGO-SMDDNHRTSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000611255174 347759556 /nfs/dbraw/zinc/75/95/56/347759556.db2.gz WEHGLFAIRWZIHQ-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336885525 365932788 /nfs/dbraw/zinc/93/27/88/365932788.db2.gz AUDLKAAOZFWGKT-SECBINFHSA-N 1 0 256.327 2.313 20 5 CEBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086700773 179321545 /nfs/dbraw/zinc/32/15/45/179321545.db2.gz MBPNEKXLRMDYPY-CQSZACIVSA-N 1 0 266.341 2.398 20 5 CEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000613704740 348093996 /nfs/dbraw/zinc/09/39/96/348093996.db2.gz POTXAJUEUXXBNH-LLVKDONJSA-N 1 0 298.412 2.094 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000128781441 187390084 /nfs/dbraw/zinc/39/00/84/187390084.db2.gz GEOQNOHJBIIYFI-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cccn1 ZINC000066411603 362863677 /nfs/dbraw/zinc/86/36/77/362863677.db2.gz NMCIEFIEQQKJIV-GFCCVEGCSA-N 1 0 274.324 2.484 20 5 CEBDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452967 362908403 /nfs/dbraw/zinc/90/84/03/362908403.db2.gz OTZGRQZLDATXJE-BXUZGUMPSA-N 1 0 291.351 2.334 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615834540 348396813 /nfs/dbraw/zinc/39/68/13/348396813.db2.gz KCOHFIJLJNKJQI-QVNLUAMLSA-N 1 0 287.363 2.149 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000273411270 192141359 /nfs/dbraw/zinc/14/13/59/192141359.db2.gz OLUSABDKZWOBCU-LLVKDONJSA-N 1 0 292.257 2.306 20 5 CEBDRO CC(C)[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000616999929 348604185 /nfs/dbraw/zinc/60/41/85/348604185.db2.gz NGSUVSNBCNLBTN-NSHDSACASA-N 1 0 269.370 2.433 20 5 CEBDRO NC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000339533718 215232617 /nfs/dbraw/zinc/23/26/17/215232617.db2.gz BGXSNSTYFVVFCF-HNNXBMFYSA-N 1 0 299.330 2.301 20 5 CEBDRO COC1(CO)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000618551335 348973794 /nfs/dbraw/zinc/97/37/94/348973794.db2.gz WKOJYSFXFQWSFV-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339574590 215249769 /nfs/dbraw/zinc/24/97/69/215249769.db2.gz PPJWYQUSSOVVOJ-QWRGUYRKSA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000619844966 349239757 /nfs/dbraw/zinc/23/97/57/349239757.db2.gz GYOMLDBPDDNKOV-JTQLQIEISA-N 1 0 254.334 2.063 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000619567058 349199941 /nfs/dbraw/zinc/19/99/41/349199941.db2.gz MFCDQDCIJSMPRT-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000090550764 180002981 /nfs/dbraw/zinc/00/29/81/180002981.db2.gz GVIZFGGQNBZOCA-JSGCOSHPSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cnc(NCc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC000090692583 180025550 /nfs/dbraw/zinc/02/55/50/180025550.db2.gz NVMRRHYQMGDLGP-UHFFFAOYSA-N 1 0 272.308 2.369 20 5 CEBDRO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720428 180030819 /nfs/dbraw/zinc/03/08/19/180030819.db2.gz IFNKUFBWOBHDHD-DGCLKSJQSA-N 1 0 293.367 2.176 20 5 CEBDRO Cc1c(C[N@H+](C)CC2CC(O)C2)cccc1[N+](=O)[O-] ZINC000091489888 180168917 /nfs/dbraw/zinc/16/89/17/180168917.db2.gz AMRVIQICQWIWLC-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CC)C1 ZINC000091558987 180191395 /nfs/dbraw/zinc/19/13/95/180191395.db2.gz NJCYSEBFUYNZIQ-LLVKDONJSA-N 1 0 281.360 2.016 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673508 180223833 /nfs/dbraw/zinc/22/38/33/180223833.db2.gz OALLJNCCYINZJG-MNOVXSKESA-N 1 0 295.314 2.009 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000091957421 180292008 /nfs/dbraw/zinc/29/20/08/180292008.db2.gz FVOJYHGHQXJQFG-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026868 180308491 /nfs/dbraw/zinc/30/84/91/180308491.db2.gz FFUVLTWJZVMMEU-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO CC(C)[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352178403 219346735 /nfs/dbraw/zinc/34/67/35/219346735.db2.gz MQQRDBDLFIDUCG-GFCCVEGCSA-N 1 0 283.303 2.259 20 5 CEBDRO COCC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106468844 186119662 /nfs/dbraw/zinc/11/96/62/186119662.db2.gz HEAWLDGRMFOPCG-SNVBAGLBSA-N 1 0 268.313 2.118 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000110792187 186325085 /nfs/dbraw/zinc/32/50/85/186325085.db2.gz QOQBHJSCNKPPSL-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352222684 219370644 /nfs/dbraw/zinc/37/06/44/219370644.db2.gz SBGJOYDCEAJJHT-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO COc1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111048870 186348255 /nfs/dbraw/zinc/34/82/55/186348255.db2.gz GDFVATPHFFXOPI-LLVKDONJSA-N 1 0 279.340 2.357 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000569062878 299176273 /nfs/dbraw/zinc/17/62/73/299176273.db2.gz WYYFCCMNBFDADA-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070176766 363048910 /nfs/dbraw/zinc/04/89/10/363048910.db2.gz XOWOQESWINCNGV-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122394587 187030152 /nfs/dbraw/zinc/03/01/52/187030152.db2.gz ALVPSIFSKPXPOF-YPMHNXCESA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000291887450 198095699 /nfs/dbraw/zinc/09/56/99/198095699.db2.gz OVPGRPMRIRBGAH-VIFPVBQESA-N 1 0 255.293 2.344 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000123271164 187081931 /nfs/dbraw/zinc/08/19/31/187081931.db2.gz YTNBQSGPPSRBKB-GXTWGEPZSA-N 1 0 289.379 2.352 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000070575101 363097103 /nfs/dbraw/zinc/09/71/03/363097103.db2.gz VXXOCJNBPOXBOV-MNOVXSKESA-N 1 0 277.324 2.359 20 5 CEBDRO Cc1cc(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000071952804 363120198 /nfs/dbraw/zinc/12/01/98/363120198.db2.gz MJYQAOUKCPBYQD-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000271515177 191185783 /nfs/dbraw/zinc/18/57/83/191185783.db2.gz KNIZZVPTKSRUJC-NWDGAFQWSA-N 1 0 279.340 2.019 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000224397746 539873222 /nfs/dbraw/zinc/87/32/22/539873222.db2.gz CMXZFKSIRPPVHW-GFCCVEGCSA-N 1 0 266.366 2.480 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494281090 290966918 /nfs/dbraw/zinc/96/69/18/290966918.db2.gz BKYUHJCXCOZOEX-FZMZJTMJSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890185 187889751 /nfs/dbraw/zinc/88/97/51/187889751.db2.gz VEEJPWXJLXZWLH-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152518118 188025038 /nfs/dbraw/zinc/02/50/38/188025038.db2.gz BAJIUUQLMUHZSE-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152869591 188049902 /nfs/dbraw/zinc/04/99/02/188049902.db2.gz YMSGSSPQVVVGAU-BZPMIXESSA-N 1 0 262.309 2.313 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153781437 188103553 /nfs/dbraw/zinc/10/35/53/188103553.db2.gz VNSOMJCIDSEDTB-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000153804238 188104871 /nfs/dbraw/zinc/10/48/71/188104871.db2.gz QRSWMTGSVWOFKB-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292590730 198342959 /nfs/dbraw/zinc/34/29/59/198342959.db2.gz LQWIRASEOYBHNE-JTQLQIEISA-N 1 0 267.304 2.406 20 5 CEBDRO CCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158327041 188370176 /nfs/dbraw/zinc/37/01/76/188370176.db2.gz QXGOZJLEDUSDQV-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293024320 198498214 /nfs/dbraw/zinc/49/82/14/198498214.db2.gz FRUFOXSJTMOCKF-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451502035 283013054 /nfs/dbraw/zinc/01/30/54/283013054.db2.gz PHBPKLLOYLZRMR-ZIAGYGMSSA-N 1 0 294.351 2.377 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132841909 366174829 /nfs/dbraw/zinc/17/48/29/366174829.db2.gz RACKIDZIQQEQTL-NSHDSACASA-N 1 0 299.758 2.496 20 5 CEBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000271754754 191307348 /nfs/dbraw/zinc/30/73/48/191307348.db2.gz CPDHPGWPMKONDA-UHFFFAOYSA-N 1 0 282.731 2.317 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074744568 363380805 /nfs/dbraw/zinc/38/08/05/363380805.db2.gz UXARAHKNNHJFGU-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000074747241 363381721 /nfs/dbraw/zinc/38/17/21/363381721.db2.gz JJAXBGIVJNISTL-JTQLQIEISA-N 1 0 264.329 2.193 20 5 CEBDRO C[N@H+]1CC=C(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000271886386 191389058 /nfs/dbraw/zinc/38/90/58/191389058.db2.gz WDIBBJAGLXHMBS-UHFFFAOYSA-N 1 0 282.731 2.317 20 5 CEBDRO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000569985935 299231865 /nfs/dbraw/zinc/23/18/65/299231865.db2.gz VFOLSPPEIHBWHK-UHFFFAOYSA-N 1 0 269.370 2.182 20 5 CEBDRO CC1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273607388 192228669 /nfs/dbraw/zinc/22/86/69/192228669.db2.gz KUJCICDWFQOYPV-UHFFFAOYSA-N 1 0 293.371 2.309 20 5 CEBDRO Cc1c(NC(=O)CC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000134497800 366330710 /nfs/dbraw/zinc/33/07/10/366330710.db2.gz PSTYDQXRWJFEQZ-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452180362 283215984 /nfs/dbraw/zinc/21/59/84/283215984.db2.gz DCTZXEHOYJLYDW-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469266 199051675 /nfs/dbraw/zinc/05/16/75/199051675.db2.gz WNPJUXUVUKPBBX-KOLCDFICSA-N 1 0 265.313 2.007 20 5 CEBDRO Cc1nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000570668152 299271172 /nfs/dbraw/zinc/27/11/72/299271172.db2.gz FTNHFPFWXSZOBF-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000578043191 366434951 /nfs/dbraw/zinc/43/49/51/366434951.db2.gz IDRBJUAIZBPDLB-LLVKDONJSA-N 1 0 296.346 2.297 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000578043194 366435037 /nfs/dbraw/zinc/43/50/37/366435037.db2.gz IDRBJUAIZBPDLB-NSHDSACASA-N 1 0 296.346 2.297 20 5 CEBDRO COC1([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453156531 283489461 /nfs/dbraw/zinc/48/94/61/283489461.db2.gz WYZFVXCCLYBEAX-LBPRGKRZSA-N 1 0 294.351 2.269 20 5 CEBDRO CCC[N@H+](CC)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000080677966 363678156 /nfs/dbraw/zinc/67/81/56/363678156.db2.gz BTNXSJWSKTUMEL-UHFFFAOYSA-N 1 0 297.384 2.448 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000178188562 189096653 /nfs/dbraw/zinc/09/66/53/189096653.db2.gz JPGUKFBMFSRXEE-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000453424539 283570288 /nfs/dbraw/zinc/57/02/88/283570288.db2.gz YGNRFIVFFQVGKS-OLZOCXBDSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000299392159 200708303 /nfs/dbraw/zinc/70/83/03/200708303.db2.gz VGEJUOFNSVUZAU-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000179568176 189202853 /nfs/dbraw/zinc/20/28/53/189202853.db2.gz AWPZONRQCRGOCT-LLVKDONJSA-N 1 0 280.324 2.317 20 5 CEBDRO CC[C@@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179576599 189203832 /nfs/dbraw/zinc/20/38/32/189203832.db2.gz HKTBECVHOMAUFB-CYBMUJFWSA-N 1 0 280.324 2.399 20 5 CEBDRO C[C@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000180186399 189241886 /nfs/dbraw/zinc/24/18/86/189241886.db2.gz ORMWGPSTEBJTDP-YVZNUBBCSA-N 1 0 262.309 2.065 20 5 CEBDRO CCCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412816 189254368 /nfs/dbraw/zinc/25/43/68/189254368.db2.gz JFOYIPCDENBKSK-NSHDSACASA-N 1 0 279.340 2.162 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000181827436 189307798 /nfs/dbraw/zinc/30/77/98/189307798.db2.gz HOXGLXHGHXMQAL-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182313592 189319584 /nfs/dbraw/zinc/31/95/84/189319584.db2.gz PJSHLQBYFRHNLP-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C)CC2)c1 ZINC000301716760 201157159 /nfs/dbraw/zinc/15/71/59/201157159.db2.gz HGXPUIZYIHEYJR-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000020054291 361575290 /nfs/dbraw/zinc/57/52/90/361575290.db2.gz DYIICQCMBYJTCX-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO COc1cc(N(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000184787155 189396012 /nfs/dbraw/zinc/39/60/12/189396012.db2.gz GQTQOOIDGCBRTG-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000084439838 363809920 /nfs/dbraw/zinc/80/99/20/363809920.db2.gz XSDXJBJBNSHCPZ-VIFPVBQESA-N 1 0 270.716 2.374 20 5 CEBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302168892 201378937 /nfs/dbraw/zinc/37/89/37/201378937.db2.gz SWXWBXCNYGALPX-UHFFFAOYSA-N 1 0 279.344 2.061 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088388743 363891960 /nfs/dbraw/zinc/89/19/60/363891960.db2.gz MJGULBUBWXBPJJ-UHFFFAOYSA-N 1 0 293.367 2.032 20 5 CEBDRO CCC[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097699 364142053 /nfs/dbraw/zinc/14/20/53/364142053.db2.gz NLFCZAAETHYVIL-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO C[NH2+]CCCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237208394 370700652 /nfs/dbraw/zinc/70/06/52/370700652.db2.gz PZHKOQVVCLMNGJ-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)O ZINC000092982115 364128060 /nfs/dbraw/zinc/12/80/60/364128060.db2.gz VQHDGRCQLRNTIZ-UHFFFAOYSA-N 1 0 297.311 2.096 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000093873374 364236707 /nfs/dbraw/zinc/23/67/07/364236707.db2.gz DDNRCYVKDSWNEN-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000094294278 364265192 /nfs/dbraw/zinc/26/51/92/364265192.db2.gz UQMOLIVVURUSSO-SNVBAGLBSA-N 1 0 277.324 2.044 20 5 CEBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093813635 364227668 /nfs/dbraw/zinc/22/76/68/364227668.db2.gz KSAZJRCFTFLVEI-OAHLLOKOSA-N 1 0 292.335 2.288 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1F ZINC000094774164 364294213 /nfs/dbraw/zinc/29/42/13/364294213.db2.gz KYFUDRUNETWIDP-LBPRGKRZSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104077248 364675715 /nfs/dbraw/zinc/67/57/15/364675715.db2.gz DVVWSGPFOPLWHV-GHMZBOCLSA-N 1 0 291.351 2.457 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192477840 189622799 /nfs/dbraw/zinc/62/27/99/189622799.db2.gz PDAWNCRSHKYBMP-IUCAKERBSA-N 1 0 270.358 2.336 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1C ZINC000115110859 364985992 /nfs/dbraw/zinc/98/59/92/364985992.db2.gz XKZHJQTYMZOQDZ-AOOOYVTPSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCOCC1 ZINC000275580635 193079306 /nfs/dbraw/zinc/07/93/06/193079306.db2.gz PTVURMZCLGFFEX-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191977 366878364 /nfs/dbraw/zinc/87/83/64/366878364.db2.gz SKCUJASBPYXVOQ-GWCFXTLKSA-N 1 0 263.341 2.122 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000120824596 365481504 /nfs/dbraw/zinc/48/15/04/365481504.db2.gz POCYXLHHBHTPQY-RISCZKNCSA-N 1 0 291.351 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000582835639 366964449 /nfs/dbraw/zinc/96/44/49/366964449.db2.gz FAHNYTKRBJXNBP-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161550126 367095559 /nfs/dbraw/zinc/09/55/59/367095559.db2.gz NMPCICDLTRPELS-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000584408399 367153611 /nfs/dbraw/zinc/15/36/11/367153611.db2.gz CSSXMFGGPZFNBN-HIFRSBDPSA-N 1 0 276.336 2.248 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864039 367197323 /nfs/dbraw/zinc/19/73/23/367197323.db2.gz QXNZPQOZKVCYQA-VHSXEESVSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000590570386 367198130 /nfs/dbraw/zinc/19/81/30/367198130.db2.gz YIDADCVSADGLFU-PSASIEDQSA-N 1 0 284.747 2.172 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000572515972 299375958 /nfs/dbraw/zinc/37/59/58/299375958.db2.gz ZXVLWCFSWKXNFD-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343550749 367878170 /nfs/dbraw/zinc/87/81/70/367878170.db2.gz LBVLBWKYUORYQS-OLZOCXBDSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173048972 367863486 /nfs/dbraw/zinc/86/34/86/367863486.db2.gz CBHOIVAGCBOLPF-SECBINFHSA-N 1 0 299.396 2.362 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343454090 367824316 /nfs/dbraw/zinc/82/43/16/367824316.db2.gz PCZRUEAJQVFGSO-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000344650039 368132077 /nfs/dbraw/zinc/13/20/77/368132077.db2.gz WPWYTZJKTGNMOS-LLVKDONJSA-N 1 0 295.339 2.038 20 5 CEBDRO CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000345349758 368244909 /nfs/dbraw/zinc/24/49/09/368244909.db2.gz QITIJFUXHLMMHO-OLZOCXBDSA-N 1 0 295.408 2.385 20 5 CEBDRO CCOc1cc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000180109448 368368422 /nfs/dbraw/zinc/36/84/22/368368422.db2.gz RKGHTBGBHOPDAJ-UHFFFAOYSA-N 1 0 281.356 2.381 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876112 368463927 /nfs/dbraw/zinc/46/39/27/368463927.db2.gz RLIGKYTWUWTHQN-HONMWMINSA-N 1 0 291.351 2.160 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+](C)C ZINC000346153694 368564708 /nfs/dbraw/zinc/56/47/08/368564708.db2.gz HYLCWHLZBBZVRG-SECBINFHSA-N 1 0 299.758 2.237 20 5 CEBDRO CCC[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000346309864 368630666 /nfs/dbraw/zinc/63/06/66/368630666.db2.gz XQBUJWVUIPSBJX-UHFFFAOYSA-N 1 0 279.340 2.290 20 5 CEBDRO CC1=CCN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000358135407 370918767 /nfs/dbraw/zinc/91/87/67/370918767.db2.gz KAMBWYBSWJXQGF-UHFFFAOYSA-N 1 0 281.381 2.398 20 5 CEBDRO C[N@H+](CCn1nccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000185688269 368843216 /nfs/dbraw/zinc/84/32/16/368843216.db2.gz MUYRYBUMSZOZPS-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000186179040 368931514 /nfs/dbraw/zinc/93/15/14/368931514.db2.gz ZDJJJEPLKHBPIQ-UHFFFAOYSA-N 1 0 298.346 2.339 20 5 CEBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000348223335 368955525 /nfs/dbraw/zinc/95/55/25/368955525.db2.gz FFQMSYAHZNHYBT-SCZZXKLOSA-N 1 0 292.261 2.064 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000572783707 299399979 /nfs/dbraw/zinc/39/99/79/299399979.db2.gz UCWPUTKPCZTWMG-MNOVXSKESA-N 1 0 279.340 2.031 20 5 CEBDRO CSC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187946761 369258199 /nfs/dbraw/zinc/25/81/99/369258199.db2.gz NXCDXHQVYFKRIJ-CQSZACIVSA-N 1 0 296.392 2.283 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000188012140 369276931 /nfs/dbraw/zinc/27/69/31/369276931.db2.gz OXXALQHBSJSCOH-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234720 369323180 /nfs/dbraw/zinc/32/31/80/369323180.db2.gz DXHKIZYWWPLNFM-CMPLNLGQSA-N 1 0 284.381 2.278 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000349792921 369402272 /nfs/dbraw/zinc/40/22/72/369402272.db2.gz TUKCFGGSGWPXAH-ZMWSMAPVSA-N 1 0 256.327 2.073 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188800692 369410958 /nfs/dbraw/zinc/41/09/58/369410958.db2.gz GHDHURACSQNGII-JOYOIKCWSA-N 1 0 284.743 2.499 20 5 CEBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000188820339 369414221 /nfs/dbraw/zinc/41/42/21/369414221.db2.gz YWOZGAGSOBZSLF-CQSZACIVSA-N 1 0 294.351 2.141 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350126896 369510935 /nfs/dbraw/zinc/51/09/35/369510935.db2.gz RRUMIKPAIRODLV-LLVKDONJSA-N 1 0 252.318 2.056 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000189720078 369564166 /nfs/dbraw/zinc/56/41/66/369564166.db2.gz ZOMLEFKTLYFQBV-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189925385 369579973 /nfs/dbraw/zinc/57/99/73/369579973.db2.gz AULLBCIHDVFWPC-QWHCGFSZSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H]1CSCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190463200 369626816 /nfs/dbraw/zinc/62/68/16/369626816.db2.gz LJOCEQXJKGKKEF-RISCZKNCSA-N 1 0 296.392 2.313 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000191185497 369689418 /nfs/dbraw/zinc/68/94/18/369689418.db2.gz AJHWMVBFHMLOEF-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279304 369697851 /nfs/dbraw/zinc/69/78/51/369697851.db2.gz JKHSZDWMDWJSRI-ODOQXGPZSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287550 369698228 /nfs/dbraw/zinc/69/82/28/369698228.db2.gz IUVUZCPFUMBWMN-RYUDHWBXSA-N 1 0 294.351 2.207 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000193277769 369915317 /nfs/dbraw/zinc/91/53/17/369915317.db2.gz QCGNSZPEFXVNBN-LLVKDONJSA-N 1 0 252.314 2.326 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193287307 369918290 /nfs/dbraw/zinc/91/82/90/369918290.db2.gz MRKMCLASKMEEDN-GHMZBOCLSA-N 1 0 279.340 2.208 20 5 CEBDRO COCCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352997990 369976164 /nfs/dbraw/zinc/97/61/64/369976164.db2.gz BFOBXRKCQDCYAA-UHFFFAOYSA-N 1 0 279.340 2.165 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353115754 370023788 /nfs/dbraw/zinc/02/37/88/370023788.db2.gz MEUYHMJXFOWDBI-ZDUSSCGKSA-N 1 0 264.325 2.011 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028183 369990067 /nfs/dbraw/zinc/99/00/67/369990067.db2.gz PJDOAYCDGBBGBG-DZGCQCFKSA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000219246247 370220385 /nfs/dbraw/zinc/22/03/85/370220385.db2.gz KEQGZZYEGIUQKA-CVEARBPZSA-N 1 0 289.379 2.354 20 5 CEBDRO COc1ccc(C[NH2+]CCCCCCO)cc1[N+](=O)[O-] ZINC000224952585 370284456 /nfs/dbraw/zinc/28/44/56/370284456.db2.gz OEWKEDZURFPTHS-UHFFFAOYSA-N 1 0 282.340 2.246 20 5 CEBDRO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355549159 370596610 /nfs/dbraw/zinc/59/66/10/370596610.db2.gz CVJLXIYGRNUJKO-UHFFFAOYSA-N 1 0 254.334 2.195 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(NCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000236204557 370585651 /nfs/dbraw/zinc/58/56/51/370585651.db2.gz CTLPCYIKVVLJCW-MRVPVSSYSA-N 1 0 271.267 2.427 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745112 370613458 /nfs/dbraw/zinc/61/34/58/370613458.db2.gz ZWIRYVLKFNXIKG-OUAUKWLOSA-N 1 0 266.345 2.195 20 5 CEBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358315601 371010558 /nfs/dbraw/zinc/01/05/58/371010558.db2.gz WYGCMTZPGMWOTG-UHFFFAOYSA-N 1 0 262.313 2.054 20 5 CEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000247503289 371116759 /nfs/dbraw/zinc/11/67/59/371116759.db2.gz XTPJTHKXGDIADT-VHSXEESVSA-N 1 0 297.380 2.115 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[NH+]1CCCC1 ZINC000358669601 371164771 /nfs/dbraw/zinc/16/47/71/371164771.db2.gz UTPJMMPQBLFCND-UHFFFAOYSA-N 1 0 295.387 2.042 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000250950380 371394692 /nfs/dbraw/zinc/39/46/92/371394692.db2.gz MRXMBTDGAUTOSU-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000251521900 371405195 /nfs/dbraw/zinc/40/51/95/371405195.db2.gz CTGPPGLXAOKGBO-XHDPSFHLSA-N 1 0 294.351 2.460 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252921160 371490528 /nfs/dbraw/zinc/49/05/28/371490528.db2.gz GSMUMLNYSYZTPM-ZIAGYGMSSA-N 1 0 294.351 2.339 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000360959499 371562890 /nfs/dbraw/zinc/56/28/90/371562890.db2.gz GXPUPEVTYREZMK-LLVKDONJSA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1CC=C(C)CC1 ZINC000361016291 371599501 /nfs/dbraw/zinc/59/95/01/371599501.db2.gz YNBPCPVUEPPZOQ-UHFFFAOYSA-N 1 0 293.371 2.184 20 5 CEBDRO C[NH2+]C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000261610049 371677585 /nfs/dbraw/zinc/67/75/85/371677585.db2.gz SEHKQYAWCMUVTG-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000262213426 371838728 /nfs/dbraw/zinc/83/87/28/371838728.db2.gz LTZGTDROSIGRIA-INIZCTEOSA-N 1 0 298.346 2.136 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266275159 372042690 /nfs/dbraw/zinc/04/26/90/372042690.db2.gz RVEZZGZUXFHQRH-LLVKDONJSA-N 1 0 277.299 2.184 20 5 CEBDRO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000268726068 372196507 /nfs/dbraw/zinc/19/65/07/372196507.db2.gz JOLQIJLAHVOTDB-LLVKDONJSA-N 1 0 265.313 2.182 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1nncn1C ZINC000268944640 372297871 /nfs/dbraw/zinc/29/78/71/372297871.db2.gz WEQDQKOAWXQOQE-MNOVXSKESA-N 1 0 289.339 2.444 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344332542 217154716 /nfs/dbraw/zinc/15/47/16/217154716.db2.gz OGRVMLBQOLKSLP-YPMHNXCESA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344331885 217154815 /nfs/dbraw/zinc/15/48/15/217154815.db2.gz XSQVXIDWCZBQCE-FZMZJTMJSA-N 1 0 263.341 2.167 20 5 CEBDRO Cc1cnc(N[C@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000362678645 372483829 /nfs/dbraw/zinc/48/38/29/372483829.db2.gz CBHTZWNMNFUQLV-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269678835 372530709 /nfs/dbraw/zinc/53/07/09/372530709.db2.gz XFMCBXODDJCTAO-CYBMUJFWSA-N 1 0 252.314 2.216 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000270170656 372687839 /nfs/dbraw/zinc/68/78/39/372687839.db2.gz UHVCLXQWJZVKEU-OCCSQVGLSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)=CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364341226 372732884 /nfs/dbraw/zinc/73/28/84/372732884.db2.gz TZHOWWQQQPMXFN-LBPRGKRZSA-N 1 0 264.329 2.394 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344583269 217239001 /nfs/dbraw/zinc/23/90/01/217239001.db2.gz SWFYBNYFGNUVGC-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353459422 220095202 /nfs/dbraw/zinc/09/52/02/220095202.db2.gz HHRXZDRWIJDIQP-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000344713105 217285534 /nfs/dbraw/zinc/28/55/34/217285534.db2.gz PXAKZSKCPLOTSC-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000271082744 373109418 /nfs/dbraw/zinc/10/94/18/373109418.db2.gz YSRYRWRBCBNTKM-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272113084 373311057 /nfs/dbraw/zinc/31/10/57/373311057.db2.gz NZMNNEKMDKMTRY-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/Cl)CC2)n1 ZINC000369675240 373486215 /nfs/dbraw/zinc/48/62/15/373486215.db2.gz ADQTZYBZMGZODD-ORCRQEGFSA-N 1 0 270.720 2.181 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000369692466 373489701 /nfs/dbraw/zinc/48/97/01/373489701.db2.gz NGTMMQKDYNYNEU-UHFFFAOYSA-N 1 0 264.329 2.371 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000272624915 373586566 /nfs/dbraw/zinc/58/65/66/373586566.db2.gz JLDAOEIKNLKEPY-ZWNOBZJWSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555922 373547976 /nfs/dbraw/zinc/54/79/76/373547976.db2.gz SEWZVZGVDFHKLP-JRCXTIHVSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272581012 373562378 /nfs/dbraw/zinc/56/23/78/373562378.db2.gz GRVPZHSVXCRJMT-GDBMZVCRSA-N 1 0 289.379 2.429 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274533914 373954262 /nfs/dbraw/zinc/95/42/62/373954262.db2.gz USRUDVLTBZWZCD-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373329322 374330047 /nfs/dbraw/zinc/33/00/47/374330047.db2.gz WICBQKVWWYVIGD-HNNXBMFYSA-N 1 0 276.336 2.250 20 5 CEBDRO CC(C)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373569385 374381326 /nfs/dbraw/zinc/38/13/26/374381326.db2.gz VCCCNVJMGWHNSL-LBPRGKRZSA-N 1 0 266.345 2.474 20 5 CEBDRO COc1ccc(C[NH2+]C2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000277590338 374573426 /nfs/dbraw/zinc/57/34/26/374573426.db2.gz HPSPBFGGEYWPGX-UHFFFAOYSA-N 1 0 272.251 2.491 20 5 CEBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368196 374850175 /nfs/dbraw/zinc/85/01/75/374850175.db2.gz WYTSLLXAKUIPKO-MFKMUULPSA-N 1 0 291.351 2.362 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000279651417 374944537 /nfs/dbraw/zinc/94/45/37/374944537.db2.gz JRYFRNDCCMJNJV-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000378496494 375115630 /nfs/dbraw/zinc/11/56/30/375115630.db2.gz KJBKTWRHHFDFFU-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO CCSCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000385161382 375227849 /nfs/dbraw/zinc/22/78/49/375227849.db2.gz MCNZURWWUNYWBO-UHFFFAOYSA-N 1 0 270.354 2.316 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000386246789 375255112 /nfs/dbraw/zinc/25/51/12/375255112.db2.gz IPZPCVZSBHGLSZ-STQMWFEESA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000388009253 375282595 /nfs/dbraw/zinc/28/25/95/375282595.db2.gz GRUIPJZMKBIGQJ-QPUJVOFHSA-N 1 0 270.716 2.061 20 5 CEBDRO CCC(CC)(CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282341311 375460740 /nfs/dbraw/zinc/46/07/40/375460740.db2.gz BWEXNDDJWFBTCN-CQSZACIVSA-N 1 0 296.367 2.159 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509213 375501698 /nfs/dbraw/zinc/50/16/98/375501698.db2.gz YSMOJAYVOKDXGM-GIPWTMENSA-N 1 0 296.392 2.465 20 5 CEBDRO Cn1nccc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282723050 375559861 /nfs/dbraw/zinc/55/98/61/375559861.db2.gz CACXDOWTNQFLSN-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000283280045 375685237 /nfs/dbraw/zinc/68/52/37/375685237.db2.gz XEQKTMBQJFOOSM-RISCZKNCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413114570 375774777 /nfs/dbraw/zinc/77/47/77/375774777.db2.gz DYJMZQQROABXNT-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCCF)CC2)c1 ZINC000285957311 375845693 /nfs/dbraw/zinc/84/56/93/375845693.db2.gz KKMCCRRSYWWJAK-UHFFFAOYSA-N 1 0 281.331 2.467 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000414654685 375902211 /nfs/dbraw/zinc/90/22/11/375902211.db2.gz GKOAKRVUZIWASQ-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO Cc1ccc(NC(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414653998 375902300 /nfs/dbraw/zinc/90/23/00/375902300.db2.gz FRNJQPFLJQUAEF-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660401 375906079 /nfs/dbraw/zinc/90/60/79/375906079.db2.gz OADDBZKXFYOZHD-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414662961 375906267 /nfs/dbraw/zinc/90/62/67/375906267.db2.gz RSHGLDXHJZSJIY-MNOVXSKESA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000414667944 375909098 /nfs/dbraw/zinc/90/90/98/375909098.db2.gz YDGKPKZNMSUEKN-AWEZNQCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414766171 375956919 /nfs/dbraw/zinc/95/69/19/375956919.db2.gz HARHXSRMMVPWAL-NHYWBVRUSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000414705249 375931706 /nfs/dbraw/zinc/93/17/06/375931706.db2.gz NTLNGTOQMNKNPD-SKDRFNHKSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414716055 375938359 /nfs/dbraw/zinc/93/83/59/375938359.db2.gz WOKPFGOCFXOGTN-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286393645 375938686 /nfs/dbraw/zinc/93/86/86/375938686.db2.gz PDCNFVHEVODWDM-DGCLKSJQSA-N 1 0 290.367 2.240 20 5 CEBDRO CCOC1CC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286925489 376105099 /nfs/dbraw/zinc/10/50/99/376105099.db2.gz KVFVPHRRJSMAGZ-NRXISQOPSA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262607563 190058268 /nfs/dbraw/zinc/05/82/68/190058268.db2.gz CBBWWCFMAMAYTN-DRZSPHRISA-N 1 0 291.351 2.208 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263713149 190074754 /nfs/dbraw/zinc/07/47/54/190074754.db2.gz NNPXHYXYIUZRDR-JTQLQIEISA-N 1 0 250.298 2.445 20 5 CEBDRO C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000574071542 299476385 /nfs/dbraw/zinc/47/63/85/299476385.db2.gz WPNSBPVCNMBWEY-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305823944 376506958 /nfs/dbraw/zinc/50/69/58/376506958.db2.gz MCFFPXWVCFMXME-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000263920670 190085160 /nfs/dbraw/zinc/08/51/60/190085160.db2.gz ORCQUSOWYKITBT-JTQLQIEISA-N 1 0 297.380 2.131 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+](C)C ZINC000289952277 376574731 /nfs/dbraw/zinc/57/47/31/376574731.db2.gz XUQQIZLQGGJSMC-JTQLQIEISA-N 1 0 294.355 2.229 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000314145446 376765024 /nfs/dbraw/zinc/76/50/24/376765024.db2.gz KEALKHBPXXBKIX-OLZOCXBDSA-N 1 0 293.342 2.450 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1csc([N+](=O)[O-])c1 ZINC000290343776 376741002 /nfs/dbraw/zinc/74/10/02/376741002.db2.gz FQRMSYDAPNILNM-JQWIXIFHSA-N 1 0 283.397 2.428 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C[N@@H+]1C1CC1 ZINC000290495207 376803084 /nfs/dbraw/zinc/80/30/84/376803084.db2.gz AHUGEGMWSCJKPG-DTWKUNHWSA-N 1 0 294.330 2.353 20 5 CEBDRO Cc1cc(NCCc2nnc[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000316972986 376806735 /nfs/dbraw/zinc/80/67/35/376806735.db2.gz GKKNWXQDODFSPO-UHFFFAOYSA-N 1 0 298.306 2.224 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000290997999 377023671 /nfs/dbraw/zinc/02/36/71/377023671.db2.gz YERVQVPRWURTMT-LLVKDONJSA-N 1 0 279.340 2.053 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291152055 377094448 /nfs/dbraw/zinc/09/44/48/377094448.db2.gz DVBPYWJXIJIKJK-GFCCVEGCSA-N 1 0 282.340 2.330 20 5 CEBDRO CC[C@@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423288880 377219699 /nfs/dbraw/zinc/21/96/99/377219699.db2.gz VNTLWQZLDXRKHT-GFCCVEGCSA-N 1 0 251.330 2.373 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000330998219 377229764 /nfs/dbraw/zinc/22/97/64/377229764.db2.gz IYBICPBQJDZNCN-CABCVRRESA-N 1 0 278.352 2.278 20 5 CEBDRO CCC[C@@H](NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423308762 377237245 /nfs/dbraw/zinc/23/72/45/377237245.db2.gz YHMGZBPFEVKTOB-CQSZACIVSA-N 1 0 263.341 2.245 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327387 377261182 /nfs/dbraw/zinc/26/11/82/377261182.db2.gz RKRJQHZVDRJGQZ-GWCFXTLKSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1c([C@@H](C)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000423332831 377262763 /nfs/dbraw/zinc/26/27/63/377262763.db2.gz RGCAWODVSMLXBZ-LLVKDONJSA-N 1 0 263.341 2.435 20 5 CEBDRO [NH3+][C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332333 377263383 /nfs/dbraw/zinc/26/33/83/377263383.db2.gz UZGFHGAFLVDUJQ-HUUCEWRRSA-N 1 0 275.352 2.299 20 5 CEBDRO Cc1c([C@@H](C)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423278401 377204220 /nfs/dbraw/zinc/20/42/20/377204220.db2.gz PVQFFDSHPOEFOB-MFKMUULPSA-N 1 0 263.341 2.291 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000264868768 190140309 /nfs/dbraw/zinc/14/03/09/190140309.db2.gz NXJAITAQMLJSAO-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO COc1ccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331160687 377309731 /nfs/dbraw/zinc/30/97/31/377309731.db2.gz FFBQAFCZCADNKP-QWRGUYRKSA-N 1 0 294.351 2.337 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264920190 190144465 /nfs/dbraw/zinc/14/44/65/190144465.db2.gz PORGUJHULPAPFG-MRVPVSSYSA-N 1 0 285.369 2.035 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000293191427 377465236 /nfs/dbraw/zinc/46/52/36/377465236.db2.gz XEEBPZVZGSUFGW-LBPRGKRZSA-N 1 0 252.314 2.234 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000293202012 377469192 /nfs/dbraw/zinc/46/91/92/377469192.db2.gz XSDFANBAOSBAEW-CQSZACIVSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293401669 377553777 /nfs/dbraw/zinc/55/37/77/377553777.db2.gz LPDFHGDENXYIDS-QWRGUYRKSA-N 1 0 250.298 2.314 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000313425759 249394701 /nfs/dbraw/zinc/39/47/01/249394701.db2.gz FQENLWKNTZGFCV-XEHSLEBBSA-N 1 0 291.351 2.098 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000313155841 249387099 /nfs/dbraw/zinc/38/70/99/249387099.db2.gz NSUBUTWXHWDRJT-VHSXEESVSA-N 1 0 258.343 2.295 20 5 CEBDRO CC[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707694 377688903 /nfs/dbraw/zinc/68/89/03/377688903.db2.gz ZRPITEOXLHRJMP-LBPRGKRZSA-N 1 0 264.325 2.378 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000565597719 377676958 /nfs/dbraw/zinc/67/69/58/377676958.db2.gz MFQJRWQUGNXGGP-NSHDSACASA-N 1 0 290.367 2.232 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000293740839 377733507 /nfs/dbraw/zinc/73/35/07/377733507.db2.gz SGADAVVJRBNISV-ZDUSSCGKSA-N 1 0 252.314 2.500 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768066 377749314 /nfs/dbraw/zinc/74/93/14/377749314.db2.gz RWIZKODKGMDDIG-XPTSAGLGSA-N 1 0 279.340 2.253 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000293795332 377761936 /nfs/dbraw/zinc/76/19/36/377761936.db2.gz XTTPBNGOFOWYLJ-GFCCVEGCSA-N 1 0 252.314 2.500 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1C[NH2+]C1 ZINC000567462614 377823127 /nfs/dbraw/zinc/82/31/27/377823127.db2.gz WZTIWGXZVPQQGU-SNVBAGLBSA-N 1 0 281.381 2.027 20 5 CEBDRO Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568451 378216835 /nfs/dbraw/zinc/21/68/35/378216835.db2.gz QZEILGWSMMIACY-GHMZBOCLSA-N 1 0 293.371 2.226 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000450949516 378657895 /nfs/dbraw/zinc/65/78/95/378657895.db2.gz ASRCMRRXYBRUSC-LBPRGKRZSA-N 1 0 295.387 2.039 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000299042831 378883239 /nfs/dbraw/zinc/88/32/39/378883239.db2.gz CUHUSSUAONESEE-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997888 218084592 /nfs/dbraw/zinc/08/45/92/218084592.db2.gz DPTYVBSKZWOJMQ-FZMZJTMJSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1c(CN2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000299316152 378961962 /nfs/dbraw/zinc/96/19/62/378961962.db2.gz GUBGCTLKNDPDID-UHFFFAOYSA-N 1 0 275.352 2.183 20 5 CEBDRO CC[N@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347326944 218191451 /nfs/dbraw/zinc/19/14/51/218191451.db2.gz XNXPZVITNWQITM-XFXZXTDPSA-N 1 0 264.325 2.312 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000347363561 218206079 /nfs/dbraw/zinc/20/60/79/218206079.db2.gz RWGGDCMEXJUPAV-LDCOFTPGSA-N 1 0 276.336 2.455 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772400 194149172 /nfs/dbraw/zinc/14/91/72/194149172.db2.gz NFWRRRLKXSXEPB-RYUDHWBXSA-N 1 0 282.340 2.033 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000301371541 379269399 /nfs/dbraw/zinc/26/93/99/379269399.db2.gz TYRMXKAVQUTVMV-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000517030489 379337487 /nfs/dbraw/zinc/33/74/87/379337487.db2.gz VIABUTPWIQPPPA-NSHDSACASA-N 1 0 297.330 2.159 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C(C)(C)C ZINC000278938813 194220990 /nfs/dbraw/zinc/22/09/90/194220990.db2.gz XWAQSFYIFFUWKH-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000302498567 379385003 /nfs/dbraw/zinc/38/50/03/379385003.db2.gz TWHOHBYRNAWMIP-JTQLQIEISA-N 1 0 252.314 2.498 20 5 CEBDRO Cc1cccc(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000302520061 379388702 /nfs/dbraw/zinc/38/87/02/379388702.db2.gz XDFJVSZSZIHGGM-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO Cc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835717 190283846 /nfs/dbraw/zinc/28/38/46/190283846.db2.gz JXQXCSMRJPTNPC-NEPJUHHUSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304314897 379553466 /nfs/dbraw/zinc/55/34/66/379553466.db2.gz KZGJKTNEQTZAMV-UONOGXRCSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000267085973 190302208 /nfs/dbraw/zinc/30/22/08/190302208.db2.gz ZNLMCJUFQRYIDS-GFCCVEGCSA-N 1 0 282.315 2.471 20 5 CEBDRO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000305269914 379701391 /nfs/dbraw/zinc/70/13/91/379701391.db2.gz XMBRIUYDOMAIEC-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000305141301 379656758 /nfs/dbraw/zinc/65/67/58/379656758.db2.gz QDTWIHQFQUMEIQ-LLVKDONJSA-N 1 0 264.325 2.469 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000305154227 379664304 /nfs/dbraw/zinc/66/43/04/379664304.db2.gz BLFFWFGDRSLQCE-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000347695509 218324466 /nfs/dbraw/zinc/32/44/66/218324466.db2.gz ZEECPJYBVGETPQ-UHFFFAOYSA-N 1 0 284.337 2.232 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491882385 380372185 /nfs/dbraw/zinc/37/21/85/380372185.db2.gz CWHHKKNUDCFOAV-KTKRTIGZSA-N 1 0 291.351 2.066 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554875709 380799329 /nfs/dbraw/zinc/79/93/29/380799329.db2.gz NUNMYZWAJKKXLT-TWGQIWQCSA-N 1 0 277.368 2.492 20 5 CEBDRO COCCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560676 285108757 /nfs/dbraw/zinc/10/87/57/285108757.db2.gz NRSQXRMOXSIISF-QWHCGFSZSA-N 1 0 294.351 2.393 20 5 CEBDRO CCC(CC)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000289395587 197326762 /nfs/dbraw/zinc/32/67/62/197326762.db2.gz KMNJWLOTYHWCQP-UHFFFAOYSA-N 1 0 254.334 2.302 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000350289607 219005093 /nfs/dbraw/zinc/00/50/93/219005093.db2.gz RLBBHEPBTLOBKY-CYBMUJFWSA-N 1 0 268.288 2.250 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000350396938 219014132 /nfs/dbraw/zinc/01/41/32/219014132.db2.gz XTIAWUQKRJMOER-DOMZBBRYSA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@@H]1O)CCC2 ZINC000193004044 285144560 /nfs/dbraw/zinc/14/45/60/285144560.db2.gz WIOCZTCCXHBRBJ-KKUMJFAQSA-N 1 0 276.336 2.475 20 5 CEBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353861272 220374259 /nfs/dbraw/zinc/37/42/59/220374259.db2.gz ANSWWGOLZWWLCE-RYWCDNDXSA-N 1 0 262.309 2.329 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([NH2+]C2CC2)CC1 ZINC000286228057 285155869 /nfs/dbraw/zinc/15/58/69/285155869.db2.gz NZLUYKFPYZQXHP-UHFFFAOYSA-N 1 0 279.315 2.455 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCF)C1CC1 ZINC000280560367 285161517 /nfs/dbraw/zinc/16/15/17/285161517.db2.gz ACVIFYJKYLAYRF-GFCCVEGCSA-N 1 0 252.289 2.475 20 5 CEBDRO CCc1nn(C)c(SCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000288999573 197210193 /nfs/dbraw/zinc/21/01/93/197210193.db2.gz WJABQOSFXLXHAP-UHFFFAOYSA-N 1 0 286.401 2.325 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282161160 195524841 /nfs/dbraw/zinc/52/48/41/195524841.db2.gz UFVOHMJCYBZAKN-SWHYSGLUSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000301716744 394464568 /nfs/dbraw/zinc/46/45/68/394464568.db2.gz NLHBHCNYJAJFMT-OCCSQVGLSA-N 1 0 290.367 2.219 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413022737 394464691 /nfs/dbraw/zinc/46/46/91/394464691.db2.gz FTPWIQXPYNWRLM-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421409744 394526491 /nfs/dbraw/zinc/52/64/91/394526491.db2.gz NJNMWAVLLDNEEN-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413582687 394590210 /nfs/dbraw/zinc/59/02/10/394590210.db2.gz HCUAAGBTKVOELT-CYBMUJFWSA-N 1 0 293.367 2.286 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051554578 394555744 /nfs/dbraw/zinc/55/57/44/394555744.db2.gz UOQIUQUOZOBNIP-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414698457 394749126 /nfs/dbraw/zinc/74/91/26/394749126.db2.gz QWXXSLNXESKRNR-CQSZACIVSA-N 1 0 277.368 2.326 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000356999382 394677095 /nfs/dbraw/zinc/67/70/95/394677095.db2.gz KLLGECZYJXPSAJ-QWHCGFSZSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357049651 394693342 /nfs/dbraw/zinc/69/33/42/394693342.db2.gz YJTLMTGRAXFTHG-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000119135370 394764929 /nfs/dbraw/zinc/76/49/29/394764929.db2.gz SNFHTNDPBGMSAT-GHMZBOCLSA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000414862376 394775599 /nfs/dbraw/zinc/77/55/99/394775599.db2.gz XNIQOVZDUVGQSE-KOLCDFICSA-N 1 0 269.370 2.134 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000422842218 394824335 /nfs/dbraw/zinc/82/43/35/394824335.db2.gz FKJJWSLNASXVNE-WCQYABFASA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414935815 394811109 /nfs/dbraw/zinc/81/11/09/394811109.db2.gz CMHLJSHUCNNXMO-JTQLQIEISA-N 1 0 275.308 2.292 20 5 CEBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952800 394821816 /nfs/dbraw/zinc/82/18/16/394821816.db2.gz QZGDPOFYQMBXNU-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423355007 394898943 /nfs/dbraw/zinc/89/89/43/394898943.db2.gz DQSZMTGGDZHEJM-MJVIPROJSA-N 1 0 263.341 2.243 20 5 CEBDRO CC(C)(C)c1ccc(NC(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000415689906 394954770 /nfs/dbraw/zinc/95/47/70/394954770.db2.gz DMZUOGAVWIIYBP-UHFFFAOYSA-N 1 0 294.355 2.363 20 5 CEBDRO Cc1cc(NC(=O)N(C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415422678 394930852 /nfs/dbraw/zinc/93/08/52/394930852.db2.gz WYLPPJZCZPAPAV-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415504887 394939016 /nfs/dbraw/zinc/93/90/16/394939016.db2.gz PSWBLYPCVCSAQE-WDEREUQCSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415508546 394940021 /nfs/dbraw/zinc/94/00/21/394940021.db2.gz VDRNQQQCNJEOGN-QWRGUYRKSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415585071 394945834 /nfs/dbraw/zinc/94/58/34/394945834.db2.gz UIQWVYSBHSCNLD-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000415771333 394962694 /nfs/dbraw/zinc/96/26/94/394962694.db2.gz ZIIBCMRIBYHPCH-RKDXNWHRSA-N 1 0 280.328 2.014 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289720363 395084745 /nfs/dbraw/zinc/08/47/45/395084745.db2.gz URKNVXUYEJEBNT-RYUDHWBXSA-N 1 0 277.324 2.230 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375035460 395090304 /nfs/dbraw/zinc/09/03/04/395090304.db2.gz FOHYYDVMIMTTBU-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO CC(C)OCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388717 395093136 /nfs/dbraw/zinc/09/31/36/395093136.db2.gz DRQNSHUVDBRMEF-ZDUSSCGKSA-N 1 0 296.371 2.243 20 5 CEBDRO C[C@H]1[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCC[N@@H+]1C ZINC000436360616 395111603 /nfs/dbraw/zinc/11/16/03/395111603.db2.gz NGWIGNOAKWAYSS-JQWIXIFHSA-N 1 0 290.367 2.457 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494426461 395112738 /nfs/dbraw/zinc/11/27/38/395112738.db2.gz OZPAQFDXAFZEER-CYBMUJFWSA-N 1 0 286.335 2.204 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618790 395236980 /nfs/dbraw/zinc/23/69/80/395236980.db2.gz JBTJOKSAFJFMPN-DGCLKSJQSA-N 1 0 264.325 2.045 20 5 CEBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC1(C)C ZINC000419315496 395254961 /nfs/dbraw/zinc/25/49/61/395254961.db2.gz JXJBZOYUKRSRIN-UWVGGRQHSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CC1(C)C ZINC000419315882 395255092 /nfs/dbraw/zinc/25/50/92/395255092.db2.gz KOIYXCLSKDJJSC-MNOVXSKESA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946516 395266620 /nfs/dbraw/zinc/26/66/20/395266620.db2.gz JETRNVAUQIRKMW-BXKDBHETSA-N 1 0 250.298 2.170 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CO)CCC1 ZINC000184370024 395272319 /nfs/dbraw/zinc/27/23/19/395272319.db2.gz KGXCKNYQEVFZDK-UHFFFAOYSA-N 1 0 294.351 2.246 20 5 CEBDRO CCOCCO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000355226611 395374722 /nfs/dbraw/zinc/37/47/22/395374722.db2.gz SYUMXLVLIXUJAZ-CQSZACIVSA-N 1 0 294.351 2.222 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])c1ncnc(N)c1Cl ZINC000192275269 395378571 /nfs/dbraw/zinc/37/85/71/395378571.db2.gz VFPKXISDCWVJQY-UHFFFAOYSA-N 1 0 293.714 2.257 20 5 CEBDRO C[S@@](=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000441198526 395379827 /nfs/dbraw/zinc/37/98/27/395379827.db2.gz IRKGNMPSPXHBRS-RDBXKPKDSA-N 1 0 294.376 2.109 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000192535263 395386427 /nfs/dbraw/zinc/38/64/27/395386427.db2.gz HDWUAALLDZSHTJ-LLVKDONJSA-N 1 0 281.360 2.014 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420636903 395396481 /nfs/dbraw/zinc/39/64/81/395396481.db2.gz OALNLXNRSNPYIY-SNVBAGLBSA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000420358250 395344721 /nfs/dbraw/zinc/34/47/21/395344721.db2.gz FETDREHUHNAWKM-GYSYKLTISA-N 1 0 263.341 2.071 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000414118918 296514149 /nfs/dbraw/zinc/51/41/49/296514149.db2.gz ACPPZPMVIWZHOB-IIAWOOMASA-N 1 0 290.363 2.419 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684817 395445599 /nfs/dbraw/zinc/44/55/99/395445599.db2.gz OKEFQMILCWEBST-UHFFFAOYSA-N 1 0 292.339 2.110 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000566138851 395501697 /nfs/dbraw/zinc/50/16/97/395501697.db2.gz RMRPCJXFGPLYJM-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250295 395598685 /nfs/dbraw/zinc/59/86/85/395598685.db2.gz DHGHIDZGTDNUAR-CHWSQXEVSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000572826841 395589292 /nfs/dbraw/zinc/58/92/92/395589292.db2.gz FDMYOVZJVSREKO-MNOVXSKESA-N 1 0 286.335 2.330 20 5 CEBDRO COCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000360080909 155207673 /nfs/dbraw/zinc/20/76/73/155207673.db2.gz BTLWJWRXCCYXMW-UHFFFAOYSA-N 1 0 299.346 2.423 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726940 286131770 /nfs/dbraw/zinc/13/17/70/286131770.db2.gz NOVHNFSZVSNOCQ-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000195509333 153291557 /nfs/dbraw/zinc/29/15/57/153291557.db2.gz HFKSPYPTFYIERM-UHFFFAOYSA-N 1 0 296.396 2.364 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000219890571 153305884 /nfs/dbraw/zinc/30/58/84/153305884.db2.gz VHAMOKNNVDNWOO-PWSUYJOCSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230162128 153385270 /nfs/dbraw/zinc/38/52/70/153385270.db2.gz ITZXIYNHJOQIPE-LLVKDONJSA-N 1 0 250.298 2.111 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667159 153399133 /nfs/dbraw/zinc/39/91/33/153399133.db2.gz DNMPIYFUUWYAGX-DGCLKSJQSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH+]1CCC(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302817605 154194277 /nfs/dbraw/zinc/19/42/77/154194277.db2.gz ITPRCXHFEUWHEX-UHFFFAOYSA-N 1 0 290.367 2.317 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+](CC)CC ZINC000313306796 154209130 /nfs/dbraw/zinc/20/91/30/154209130.db2.gz HVHNNBFJSQSCER-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000346662414 154291888 /nfs/dbraw/zinc/29/18/88/154291888.db2.gz BVWPLVLAMOZFOD-RYUDHWBXSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357076285 154370566 /nfs/dbraw/zinc/37/05/66/154370566.db2.gz WRDBWOLCTIXZCU-QWHCGFSZSA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000363584322 156033672 /nfs/dbraw/zinc/03/36/72/156033672.db2.gz VZDIPAGYKBXIOW-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO COc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000376020474 157178826 /nfs/dbraw/zinc/17/88/26/157178826.db2.gz GJTXMUNFLBWUPM-GFCCVEGCSA-N 1 0 292.335 2.072 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168482930 162367642 /nfs/dbraw/zinc/36/76/42/162367642.db2.gz QWWYPBBVKYGGTC-KPGGICDASA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176207138 165159417 /nfs/dbraw/zinc/15/94/17/165159417.db2.gz USTGQMYJJIAHDX-RYUDHWBXSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000035272291 172092851 /nfs/dbraw/zinc/09/28/51/172092851.db2.gz YBZBCQGTUCGDLH-GFCCVEGCSA-N 1 0 274.324 2.278 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368225 172159453 /nfs/dbraw/zinc/15/94/53/172159453.db2.gz KNYORMLVSMVWLK-VIFPVBQESA-N 1 0 258.705 2.109 20 5 CEBDRO COCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285199757 196219481 /nfs/dbraw/zinc/21/94/81/196219481.db2.gz CXFWTOWXUHLKBU-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000035735508 172387587 /nfs/dbraw/zinc/38/75/87/172387587.db2.gz YVLNQJXKOKZQTC-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176981 173010963 /nfs/dbraw/zinc/01/09/63/173010963.db2.gz HYDHHTIGOYEVMF-NSHDSACASA-N 1 0 251.330 2.197 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000285720747 196377740 /nfs/dbraw/zinc/37/77/40/196377740.db2.gz PJWWHMWNUNRWMA-JTQLQIEISA-N 1 0 252.314 2.370 20 5 CEBDRO COC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037308525 173111000 /nfs/dbraw/zinc/11/10/00/173111000.db2.gz IPBCLCMREIYUAI-SNVBAGLBSA-N 1 0 266.297 2.117 20 5 CEBDRO CC[NH+](CC)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420519 173197387 /nfs/dbraw/zinc/19/73/87/173197387.db2.gz CBTQMWBVVMPWTH-UHFFFAOYSA-N 1 0 255.293 2.488 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000037562515 173272889 /nfs/dbraw/zinc/27/28/89/173272889.db2.gz AHUMCGCYETZXMC-LLVKDONJSA-N 1 0 269.370 2.230 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038044862 174052931 /nfs/dbraw/zinc/05/29/31/174052931.db2.gz YNNUGZLEHNXKNZ-ZDUSSCGKSA-N 1 0 264.325 2.419 20 5 CEBDRO Cc1c(NC(=O)CC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000038075414 174085681 /nfs/dbraw/zinc/08/56/81/174085681.db2.gz KXXXJAKIDLQBJW-UHFFFAOYSA-N 1 0 277.324 2.231 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286130490 196505579 /nfs/dbraw/zinc/50/55/79/196505579.db2.gz WKZHLIYDOILIQE-SNVBAGLBSA-N 1 0 299.321 2.399 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672576 174370880 /nfs/dbraw/zinc/37/08/80/174370880.db2.gz JVUCEDRWVJHFQB-DGCLKSJQSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604229573 414821718 /nfs/dbraw/zinc/82/17/18/414821718.db2.gz YQQAXFATEWFGAX-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO COCCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044659038 175225979 /nfs/dbraw/zinc/22/59/79/175225979.db2.gz MWPZZQYNPHBEIT-UHFFFAOYSA-N 1 0 268.313 2.120 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044686293 175231737 /nfs/dbraw/zinc/23/17/37/175231737.db2.gz KDPSWYZFTSDVSG-CYBMUJFWSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000044991298 175286276 /nfs/dbraw/zinc/28/62/76/175286276.db2.gz CSLOROUJDPNHKJ-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049558642 175487959 /nfs/dbraw/zinc/48/79/59/175487959.db2.gz NHEDWFKNLHMAEK-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO CS[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566114954 298946344 /nfs/dbraw/zinc/94/63/44/298946344.db2.gz NPCYHJDMDGKVJR-JTQLQIEISA-N 1 0 297.380 2.265 20 5 CEBDRO NC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000354933864 227247798 /nfs/dbraw/zinc/24/77/98/227247798.db2.gz YBKQSZZTAQQQIG-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356087891 228115883 /nfs/dbraw/zinc/11/58/83/228115883.db2.gz TXEGIOHLHCTODI-MNOVXSKESA-N 1 0 292.339 2.151 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449153295 260260109 /nfs/dbraw/zinc/26/01/09/260260109.db2.gz CTALGLGFDDKKDE-MISXGVKJSA-N 1 0 298.408 2.228 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425357541 264069181 /nfs/dbraw/zinc/06/91/81/264069181.db2.gz PCSQSKKUODHWFV-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000421367517 270611149 /nfs/dbraw/zinc/61/11/49/270611149.db2.gz FBHSVBDNOSTTSD-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422781401 270764320 /nfs/dbraw/zinc/76/43/20/270764320.db2.gz IVEFXCKEHNLGPY-GFCCVEGCSA-N 1 0 291.351 2.002 20 5 CEBDRO C[NH2+]CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423253021 270882794 /nfs/dbraw/zinc/88/27/94/270882794.db2.gz YERUKELFFREYJW-CYBMUJFWSA-N 1 0 263.341 2.126 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423998828 271000502 /nfs/dbraw/zinc/00/05/02/271000502.db2.gz AWMKSPBUAWKMFY-WPRPVWTQSA-N 1 0 297.380 2.022 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000425279435 271152256 /nfs/dbraw/zinc/15/22/56/271152256.db2.gz FWHIXZKBRAOMMR-QWHCGFSZSA-N 1 0 290.367 2.137 20 5 CEBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426496866 271220777 /nfs/dbraw/zinc/22/07/77/271220777.db2.gz KHOILSIQHBZYSH-CQSZACIVSA-N 1 0 294.351 2.141 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000430211747 271362861 /nfs/dbraw/zinc/36/28/61/271362861.db2.gz YPLPFMJCUAVPMD-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000430205993 271363585 /nfs/dbraw/zinc/36/35/85/271363585.db2.gz VIHRWPMNNPQJDR-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000296137923 273744269 /nfs/dbraw/zinc/74/42/69/273744269.db2.gz XAFHRHNJBMRELY-NSHDSACASA-N 1 0 278.356 2.098 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000263977576 273808515 /nfs/dbraw/zinc/80/85/15/273808515.db2.gz AHIKIACMZUDTLL-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO COCC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000268038993 274030203 /nfs/dbraw/zinc/03/02/03/274030203.db2.gz NFOXZOMJMHHAJF-ZDUSSCGKSA-N 1 0 293.367 2.060 20 5 CEBDRO COC[C@@](C)([NH3+])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000349192564 274046936 /nfs/dbraw/zinc/04/69/36/274046936.db2.gz RCSRYRRXGBLSRD-NSHDSACASA-N 1 0 273.720 2.024 20 5 CEBDRO CC(C)C[C@H]([NH3+])CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414698455 275598285 /nfs/dbraw/zinc/59/82/85/275598285.db2.gz QWXXSLNXESKRNR-AWEZNQCLSA-N 1 0 277.368 2.326 20 5 CEBDRO CC1(C)CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000119833402 276104182 /nfs/dbraw/zinc/10/41/82/276104182.db2.gz DXYXTJGFMLVCFF-CYBMUJFWSA-N 1 0 293.367 2.315 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272178137 277178426 /nfs/dbraw/zinc/17/84/26/277178426.db2.gz JTBBWMCDPAUKKP-HZMBPMFUSA-N 1 0 279.315 2.264 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568205 277243420 /nfs/dbraw/zinc/24/34/20/277243420.db2.gz LQERCGQXUWHGKZ-UHTWSYAYSA-N 1 0 291.351 2.160 20 5 CEBDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000291973491 277249072 /nfs/dbraw/zinc/24/90/72/277249072.db2.gz UFTQFVOEFFXSOT-TVQRCGJNSA-N 1 0 291.351 2.041 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278911418 277599933 /nfs/dbraw/zinc/59/99/33/277599933.db2.gz ZJOXNVJXMSMLQY-BYCMXARLSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228051081 288050224 /nfs/dbraw/zinc/05/02/24/288050224.db2.gz OYWKWGORFDWLEX-BYCMXARLSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000262115755 278775130 /nfs/dbraw/zinc/77/51/30/278775130.db2.gz WWQBTCATCKWUPJ-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188468953 279024289 /nfs/dbraw/zinc/02/42/89/279024289.db2.gz NSFPWKVKBWZNIT-WDEREUQCSA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296528285 279477686 /nfs/dbraw/zinc/47/76/86/279477686.db2.gz CSDMATZKOTYSHE-RYUDHWBXSA-N 1 0 291.351 2.162 20 5 CEBDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121384684 279768927 /nfs/dbraw/zinc/76/89/27/279768927.db2.gz CSKRDHVDBYBFPZ-NSHDSACASA-N 1 0 279.340 2.080 20 5 CEBDRO CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000130117557 279930159 /nfs/dbraw/zinc/93/01/59/279930159.db2.gz GQHZQBFSQJPCRQ-FZMZJTMJSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000130118242 279930298 /nfs/dbraw/zinc/93/02/98/279930298.db2.gz GQHZQBFSQJPCRQ-BXUZGUMPSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000237538816 280231664 /nfs/dbraw/zinc/23/16/64/280231664.db2.gz FQDZVUTZHBAWAA-JTQLQIEISA-N 1 0 279.340 2.065 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249117051 280384963 /nfs/dbraw/zinc/38/49/63/280384963.db2.gz SLYUHQDAQBMZBN-NBOVPLECSA-N 1 0 276.336 2.311 20 5 CEBDRO COc1cccc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397938761 280688519 /nfs/dbraw/zinc/68/85/19/280688519.db2.gz SWCHRMVHMJRCOL-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO COc1ccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399549340 280708531 /nfs/dbraw/zinc/70/85/31/280708531.db2.gz CMGOPISANHYMAX-ZANVPECISA-N 1 0 295.339 2.161 20 5 CEBDRO CC[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513500 281058720 /nfs/dbraw/zinc/05/87/20/281058720.db2.gz LUDWQNVBJAKXSD-LSDHHAIUSA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424420750 281158033 /nfs/dbraw/zinc/15/80/33/281158033.db2.gz WNOVEEYHMMPCKB-DGCLKSJQSA-N 1 0 292.339 2.295 20 5 CEBDRO O=C(C[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463895 281194338 /nfs/dbraw/zinc/19/43/38/281194338.db2.gz VIZZXLHCRBTADT-AAEUAGOBSA-N 1 0 289.335 2.408 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000429007642 281215750 /nfs/dbraw/zinc/21/57/50/281215750.db2.gz VXRFMGAOACJLRY-HNNXBMFYSA-N 1 0 293.342 2.262 20 5 CEBDRO CCC[N@@H+](CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430130970 281264571 /nfs/dbraw/zinc/26/45/71/281264571.db2.gz XCJYWEAIBUSYLM-XYOKQWHBSA-N 1 0 291.351 2.195 20 5 CEBDRO Cc1nc(N2CCc3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC000151018619 281942511 /nfs/dbraw/zinc/94/25/11/281942511.db2.gz ZMXOASHAZXYWMU-UHFFFAOYSA-N 1 0 256.265 2.387 20 5 CEBDRO CC(C)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000488010246 290374595 /nfs/dbraw/zinc/37/45/95/290374595.db2.gz PFOOQIBNIQAQMP-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO CS[C@@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000517026133 297612644 /nfs/dbraw/zinc/61/26/44/297612644.db2.gz LDLLWLHBSCLQIH-CHWSQXEVSA-N 1 0 282.365 2.457 20 5 CEBDRO COc1ccc(C[NH2+]CC2(F)CC2)cc1[N+](=O)[O-] ZINC000527227784 297712956 /nfs/dbraw/zinc/71/29/56/297712956.db2.gz AYRMZRLMUSJOHF-UHFFFAOYSA-N 1 0 254.261 2.195 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159158 298263396 /nfs/dbraw/zinc/26/33/96/298263396.db2.gz XTBVZENXUUPBCC-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000542521108 298291427 /nfs/dbraw/zinc/29/14/27/298291427.db2.gz KCHDOKVHPOZPIM-LBPRGKRZSA-N 1 0 293.323 2.497 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[S@@](C)=O ZINC000543417826 298308046 /nfs/dbraw/zinc/30/80/46/298308046.db2.gz DFKQADIMVDRSEQ-ZHYXMNDGSA-N 1 0 284.381 2.321 20 5 CEBDRO CC(=O)c1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000514667513 313052781 /nfs/dbraw/zinc/05/27/81/313052781.db2.gz BRPMHDOXWCSSHW-NSHDSACASA-N 1 0 278.308 2.176 20 5 CEBDRO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000530584259 313300268 /nfs/dbraw/zinc/30/02/68/313300268.db2.gz PDNYRXZDJUFHSX-AWEZNQCLSA-N 1 0 293.367 2.331 20 5 CEBDRO C[NH+](C)CCCCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000564758022 313776044 /nfs/dbraw/zinc/77/60/44/313776044.db2.gz FQMUFTUXJHVEMA-UHFFFAOYSA-N 1 0 283.303 2.404 20 5 CEBDRO CC/C=C\C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570444790 314039891 /nfs/dbraw/zinc/03/98/91/314039891.db2.gz NOCWQUXGNSMTHU-UTCJRWHESA-N 1 0 277.324 2.479 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293229 314083132 /nfs/dbraw/zinc/08/31/32/314083132.db2.gz LVVSGLUOHHOIPM-MNOVXSKESA-N 1 0 294.330 2.192 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571779815 314106728 /nfs/dbraw/zinc/10/67/28/314106728.db2.gz VICTZTDKAQGZTG-CQSZACIVSA-N 1 0 279.315 2.314 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000576815736 314312747 /nfs/dbraw/zinc/31/27/47/314312747.db2.gz LQCQBMDNDYXPCF-GFCCVEGCSA-N 1 0 291.351 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000577485742 314381633 /nfs/dbraw/zinc/38/16/33/314381633.db2.gz YXVVOECNEPCORB-COPLHBTASA-N 1 0 264.325 2.467 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000381173990 321832996 /nfs/dbraw/zinc/83/29/96/321832996.db2.gz OQLPBMRZXHBZMZ-PWSUYJOCSA-N 1 0 279.315 2.231 20 5 CEBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000580712774 322337747 /nfs/dbraw/zinc/33/77/47/322337747.db2.gz QZLXIBPSIHTVAI-SNVBAGLBSA-N 1 0 297.380 2.183 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000582002563 322438446 /nfs/dbraw/zinc/43/84/46/322438446.db2.gz SHWFSNVGJBFIAE-JQWIXIFHSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CCC2(CC[NH2+]2)CC1 ZINC000583316310 322538110 /nfs/dbraw/zinc/53/81/10/322538110.db2.gz IPPJYLWFFBSIRX-UHFFFAOYSA-N 1 0 265.288 2.066 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732892 335877090 /nfs/dbraw/zinc/87/70/90/335877090.db2.gz BAXJLGORLJTGIW-SGMGOOAPSA-N 1 0 262.309 2.349 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000414665313 534342565 /nfs/dbraw/zinc/34/25/65/534342565.db2.gz VEDCCMLHVUJDGK-NSHDSACASA-N 1 0 294.355 2.398 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000068449948 522048740 /nfs/dbraw/zinc/04/87/40/522048740.db2.gz KBKOYQCWYIWUOB-SNVBAGLBSA-N 1 0 295.339 2.272 20 5 CEBDRO COc1cc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364297826 522635184 /nfs/dbraw/zinc/63/51/84/522635184.db2.gz BJCJETGCZFVNFU-BXUZGUMPSA-N 1 0 291.351 2.134 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070170162 524177377 /nfs/dbraw/zinc/17/73/77/524177377.db2.gz VSJSGASPXSPQJW-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000162960757 525646060 /nfs/dbraw/zinc/64/60/60/525646060.db2.gz UDYUIQQWFIMOHQ-TUAOUCFPSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000048548660 527347379 /nfs/dbraw/zinc/34/73/79/527347379.db2.gz MTIDDVIJIXOTCQ-AWEZNQCLSA-N 1 0 264.325 2.296 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000363479795 527386693 /nfs/dbraw/zinc/38/66/93/527386693.db2.gz JTMYDLHMTUWUNC-ZDUSSCGKSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000278643488 527406734 /nfs/dbraw/zinc/40/67/34/527406734.db2.gz HCBXVXXZILNVTE-VIFPVBQESA-N 1 0 292.261 2.066 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413254398 528450427 /nfs/dbraw/zinc/45/04/27/528450427.db2.gz CJGKLSLTALMIAD-UHFFFAOYSA-N 1 0 296.346 2.441 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000892459438 625521983 /nfs/dbraw/zinc/52/19/83/625521983.db2.gz BYUIDXGQPZKMJI-LLVKDONJSA-N 1 0 294.355 2.285 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000235524772 623059967 /nfs/dbraw/zinc/05/99/67/623059967.db2.gz GKPZFLBBDVHCAP-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000121279735 623493217 /nfs/dbraw/zinc/49/32/17/623493217.db2.gz OSBXOQLIGQOULB-UHFFFAOYSA-N 1 0 297.330 2.112 20 5 CEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000933254832 623561930 /nfs/dbraw/zinc/56/19/30/623561930.db2.gz WNMWTMSEDJSZNB-CQSZACIVSA-N 1 0 292.383 2.152 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1OC ZINC000891434693 623645670 /nfs/dbraw/zinc/64/56/70/623645670.db2.gz PZZOWYRWXAQCFS-UHFFFAOYSA-N 1 0 282.344 2.142 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000934124415 624245177 /nfs/dbraw/zinc/24/51/77/624245177.db2.gz HWDSHUKQGIJOIH-KGLIPLIRSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892271170 624578737 /nfs/dbraw/zinc/57/87/37/624578737.db2.gz PUNBUWMHMXQSKP-LLVKDONJSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820593608 634465223 /nfs/dbraw/zinc/46/52/23/634465223.db2.gz BYHAVMIZXNDFLH-JOYOIKCWSA-N 1 0 267.304 2.263 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000312590543 628313318 /nfs/dbraw/zinc/31/33/18/628313318.db2.gz PTUVOPCLLRQXDB-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO C[C@@H]1OC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000925640168 628338415 /nfs/dbraw/zinc/33/84/15/628338415.db2.gz GNDZMVOGORILQT-SUNKGSAMSA-N 1 0 264.325 2.150 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCON ZINC000902419704 634644779 /nfs/dbraw/zinc/64/47/79/634644779.db2.gz SIKVEQIYZMMORP-NSHDSACASA-N 1 0 299.396 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000312643859 628358173 /nfs/dbraw/zinc/35/81/73/628358173.db2.gz DJALQEQZWFHVBF-JQWIXIFHSA-N 1 0 286.278 2.406 20 5 CEBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925694686 628518301 /nfs/dbraw/zinc/51/83/01/628518301.db2.gz RXJDXTUHFDXYEE-GRYCIOLGSA-N 1 0 291.351 2.303 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000093874435 628726503 /nfs/dbraw/zinc/72/65/03/628726503.db2.gz NIHRZHCPCWEYIW-UHFFFAOYSA-N 1 0 269.320 2.151 20 5 CEBDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000932102762 628964490 /nfs/dbraw/zinc/96/44/90/628964490.db2.gz NYLISGPSINSXLW-DGCLKSJQSA-N 1 0 292.335 2.226 20 5 CEBDRO CCOC(C)(C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893874404 629025136 /nfs/dbraw/zinc/02/51/36/629025136.db2.gz FEIGYSIKSDPTSW-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC2(SC)CC2)c1[N+](=O)[O-] ZINC000894107873 629134543 /nfs/dbraw/zinc/13/45/43/629134543.db2.gz VGYDGKGGNLMNRV-UHFFFAOYSA-N 1 0 298.364 2.294 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049765 629147271 /nfs/dbraw/zinc/14/72/71/629147271.db2.gz GHAAPJFQCYZDLI-DDTOSNHZSA-N 1 0 293.342 2.293 20 5 CEBDRO CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000093633652 629254313 /nfs/dbraw/zinc/25/43/13/629254313.db2.gz HYAHUTPNGUTVEK-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000093633617 629254923 /nfs/dbraw/zinc/25/49/23/629254923.db2.gz QIAXDIFKABYEFH-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237130680 629297622 /nfs/dbraw/zinc/29/76/22/629297622.db2.gz GSHGRRZSSHMWKF-UHFFFAOYSA-N 1 0 266.297 2.026 20 5 CEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000018174955 629434356 /nfs/dbraw/zinc/43/43/56/629434356.db2.gz WBYCEELDLZFGMN-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO CC(C)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000795546805 629603879 /nfs/dbraw/zinc/60/38/79/629603879.db2.gz OPHZQIMTSYDRLD-CQSZACIVSA-N 1 0 264.325 2.216 20 5 CEBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000894796339 629644405 /nfs/dbraw/zinc/64/44/05/629644405.db2.gz ARQZZQYQINIFJY-GASCZTMLSA-N 1 0 275.352 2.373 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049084277 629751539 /nfs/dbraw/zinc/75/15/39/629751539.db2.gz YQEJDWDFOJPQJF-AAEUAGOBSA-N 1 0 263.341 2.258 20 5 CEBDRO CCC[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057203 629830165 /nfs/dbraw/zinc/83/01/65/629830165.db2.gz FGBLHPGBOAUKIB-NSHDSACASA-N 1 0 267.304 2.312 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000895099942 629895360 /nfs/dbraw/zinc/89/53/60/629895360.db2.gz OSWPIUFSXAGRKJ-PHIMTYICSA-N 1 0 295.387 2.039 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000895100661 629896530 /nfs/dbraw/zinc/89/65/30/629896530.db2.gz DQJADSVFWQWVQA-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@@H](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000895293255 630084721 /nfs/dbraw/zinc/08/47/21/630084721.db2.gz XCWDAQRYVKJIGN-JTQLQIEISA-N 1 0 292.339 2.166 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)[NH+](C)C ZINC000895296738 630089892 /nfs/dbraw/zinc/08/98/92/630089892.db2.gz DEQAQTADHXHTAQ-GFCCVEGCSA-N 1 0 295.383 2.423 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000895325362 630112275 /nfs/dbraw/zinc/11/22/75/630112275.db2.gz PXXOHRSOBMNRRQ-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000895328618 630114297 /nfs/dbraw/zinc/11/42/97/630114297.db2.gz GVWYFRHHXLVYDG-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000895735302 630325530 /nfs/dbraw/zinc/32/55/30/630325530.db2.gz CXQPFYHDQXAODS-RNCFNFMXSA-N 1 0 277.324 2.302 20 5 CEBDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895795384 630352199 /nfs/dbraw/zinc/35/21/99/630352199.db2.gz WBVYOEAZQKDOOQ-MRVPVSSYSA-N 1 0 288.731 2.345 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895995470 630434043 /nfs/dbraw/zinc/43/40/43/630434043.db2.gz QWFWPKNEQKDJRG-JTQLQIEISA-N 1 0 278.308 2.365 20 5 CEBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000896108855 630472288 /nfs/dbraw/zinc/47/22/88/630472288.db2.gz IRULIZRWSYBCJR-NSHDSACASA-N 1 0 285.319 2.113 20 5 CEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000896650378 630625144 /nfs/dbraw/zinc/62/51/44/630625144.db2.gz GIZITOMDJYKGGP-CYBMUJFWSA-N 1 0 278.356 2.156 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000897132457 630951033 /nfs/dbraw/zinc/95/10/33/630951033.db2.gz PULOLHUPSLPHFU-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200588 630997596 /nfs/dbraw/zinc/99/75/96/630997596.db2.gz LTRVFOLVUMAMFU-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200586 630997810 /nfs/dbraw/zinc/99/78/10/630997810.db2.gz LTRVFOLVUMAMFU-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1nc(NCC[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000897249406 631016261 /nfs/dbraw/zinc/01/62/61/631016261.db2.gz SQFWYDSVSVDIAB-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CCn1nncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461568 631532019 /nfs/dbraw/zinc/53/20/19/631532019.db2.gz RXVRBJZUZIMINC-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)NC ZINC000897710548 631881809 /nfs/dbraw/zinc/88/18/09/631881809.db2.gz WGWFFGDYSBHTNR-VURMDHGXSA-N 1 0 291.351 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+](C)C)c1C ZINC000897823847 631932594 /nfs/dbraw/zinc/93/25/94/631932594.db2.gz NCORJKOBKYVFES-JTQLQIEISA-N 1 0 293.367 2.139 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCc2ccccc2CC1 ZINC000840133812 631948102 /nfs/dbraw/zinc/94/81/02/631948102.db2.gz MXMOCEIRXDOAGJ-UHFFFAOYSA-N 1 0 286.335 2.240 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)C2)c1 ZINC000897960596 631991959 /nfs/dbraw/zinc/99/19/59/631991959.db2.gz WRNPNHCEMLAIFO-YQDJHIDNSA-N 1 0 276.340 2.273 20 5 CEBDRO [NH3+]CCN(Cc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000809728083 632133453 /nfs/dbraw/zinc/13/34/53/632133453.db2.gz JORPWTKBIXFTTI-UHFFFAOYSA-N 1 0 261.281 2.153 20 5 CEBDRO CC[C@](C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000322643539 632234760 /nfs/dbraw/zinc/23/47/60/632234760.db2.gz UZMGBFBJVPVQTN-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084003 632452135 /nfs/dbraw/zinc/45/21/35/632452135.db2.gz JTSNQKFVAJBMJF-STQMWFEESA-N 1 0 294.351 2.359 20 5 CEBDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084907 632452194 /nfs/dbraw/zinc/45/21/94/632452194.db2.gz OGKKJMNGHXUXNY-FZMZJTMJSA-N 1 0 280.324 2.051 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@@H]2CCCCO2)cs1 ZINC000813333483 632672243 /nfs/dbraw/zinc/67/22/43/632672243.db2.gz QJYQOHBPSZLQBA-GFCCVEGCSA-N 1 0 286.353 2.289 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561790 633031074 /nfs/dbraw/zinc/03/10/74/633031074.db2.gz PXXBTXDABCYYKF-MEBBXXQBSA-N 1 0 292.383 2.168 20 5 CEBDRO CCCC[C@H](COC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087446 634064244 /nfs/dbraw/zinc/06/42/44/634064244.db2.gz HYJZEIZPYMPEJF-UKRRQHHQSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(F)(F)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819337411 634145221 /nfs/dbraw/zinc/14/52/21/634145221.db2.gz QIXZLXSXWWWUOJ-LLVKDONJSA-N 1 0 274.267 2.263 20 5 CEBDRO CC[C@@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819343942 634147189 /nfs/dbraw/zinc/14/71/89/634147189.db2.gz DIBJXMXPJDKDFR-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819374453 634160920 /nfs/dbraw/zinc/16/09/20/634160920.db2.gz MQURJVRXXUYNGM-CFVMTHIKSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000901714138 634272510 /nfs/dbraw/zinc/27/25/10/634272510.db2.gz KASLTAARYCBNGW-UHFFFAOYSA-N 1 0 291.351 2.262 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCC[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903160221 634993842 /nfs/dbraw/zinc/99/38/42/634993842.db2.gz VIFUXJHBTSWCNP-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCOCCF)cc([N+](=O)[O-])c1 ZINC000903205643 635014925 /nfs/dbraw/zinc/01/49/25/635014925.db2.gz KCHLSAOVBMQKJJ-JTQLQIEISA-N 1 0 286.303 2.240 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)cc([N+](=O)[O-])c1 ZINC000903210143 635016957 /nfs/dbraw/zinc/01/69/57/635016957.db2.gz UBDURUQYTKWUCV-CHIMOYNISA-N 1 0 280.324 2.431 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000903245421 635025991 /nfs/dbraw/zinc/02/59/91/635025991.db2.gz LYPRPNUBQSQHAE-QWRGUYRKSA-N 1 0 289.339 2.178 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)s1 ZINC000823069276 635059305 /nfs/dbraw/zinc/05/93/05/635059305.db2.gz LFEJUFAHKGIZHY-KRTXAFLBSA-N 1 0 292.320 2.173 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000903333613 635065887 /nfs/dbraw/zinc/06/58/87/635065887.db2.gz RMLAQXAWXZUNCX-UNXYVOJBSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903328284 635077004 /nfs/dbraw/zinc/07/70/04/635077004.db2.gz IXLVKTHQLKZVMV-XSRFYTQQSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(CCO)C1 ZINC000903330841 635077798 /nfs/dbraw/zinc/07/77/98/635077798.db2.gz BUCWMSJSPFAARU-IFQILLTASA-N 1 0 296.342 2.416 20 5 CEBDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393990 635090281 /nfs/dbraw/zinc/09/02/81/635090281.db2.gz WWKZRTSVQSASDP-RISCZKNCSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)(CCc1noc(-c2cccc(C[NH3+])c2)n1)[N+](=O)[O-] ZINC000823234910 635107056 /nfs/dbraw/zinc/10/70/56/635107056.db2.gz MQXRAHAOKVOCQI-UHFFFAOYSA-N 1 0 290.323 2.183 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903454600 635137871 /nfs/dbraw/zinc/13/78/71/635137871.db2.gz DUNJZEPYRVNQAA-OCCSQVGLSA-N 1 0 289.379 2.415 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000825048039 635548641 /nfs/dbraw/zinc/54/86/41/635548641.db2.gz KKHRLXDUESTQEL-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO Nc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000904307903 635558966 /nfs/dbraw/zinc/55/89/66/635558966.db2.gz HGXOZLGTEJLAIO-UHFFFAOYSA-N 1 0 299.334 2.132 20 5 CEBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1C ZINC000905154402 635831138 /nfs/dbraw/zinc/83/11/38/635831138.db2.gz KPOKPCXRCVLBTA-GFCCVEGCSA-N 1 0 252.314 2.019 20 5 CEBDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905156238 635832287 /nfs/dbraw/zinc/83/22/87/635832287.db2.gz XZNCJBXUOGMLDC-ZANVPECISA-N 1 0 252.289 2.315 20 5 CEBDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905126051 635835535 /nfs/dbraw/zinc/83/55/35/635835535.db2.gz CQNBPFMZPHIZEY-BXKDBHETSA-N 1 0 272.732 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1Cl ZINC000826867342 635866583 /nfs/dbraw/zinc/86/65/83/635866583.db2.gz ITFVVMKQIHYSCJ-LBPRGKRZSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])CCNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000905330899 636235224 /nfs/dbraw/zinc/23/52/24/636235224.db2.gz VARLKVLSUBAQLK-UHFFFAOYSA-N 1 0 293.367 2.240 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000905408140 636260199 /nfs/dbraw/zinc/26/01/99/636260199.db2.gz HXWGLHGAXPJUEW-OLZOCXBDSA-N 1 0 284.743 2.426 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905423674 636274650 /nfs/dbraw/zinc/27/46/50/636274650.db2.gz QKBDEMFQHKWZIN-XGACYXMMSA-N 1 0 262.309 2.350 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149100938 636641914 /nfs/dbraw/zinc/64/19/14/636641914.db2.gz CKVDLIKYCGZUCB-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830161461 636996377 /nfs/dbraw/zinc/99/63/77/636996377.db2.gz RNKYJDWBDSUVED-UQSGXBNBSA-N 1 0 278.308 2.365 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000876532233 650307933 /nfs/dbraw/zinc/30/79/33/650307933.db2.gz CHOLCMAHYRWXBK-CMPLNLGQSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876546156 650317042 /nfs/dbraw/zinc/31/70/42/650317042.db2.gz ZVJSQUONWBXDGF-PHIMTYICSA-N 1 0 277.324 2.359 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876594117 650350879 /nfs/dbraw/zinc/35/08/79/650350879.db2.gz LAYMJSLOJOSXQS-LBPRGKRZSA-N 1 0 292.335 2.207 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910297026 638000335 /nfs/dbraw/zinc/00/03/35/638000335.db2.gz UFUXNIVMVBYUQV-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000876774171 650427365 /nfs/dbraw/zinc/42/73/65/650427365.db2.gz NOVCZCJZIHRORA-AWEZNQCLSA-N 1 0 286.335 2.145 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000912262357 638620021 /nfs/dbraw/zinc/62/00/21/638620021.db2.gz RAVUUJXWQRXDDA-OAHLLOKOSA-N 1 0 293.367 2.222 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC000876888409 650475576 /nfs/dbraw/zinc/47/55/76/650475576.db2.gz RXWQFKQCLXSPRX-UNXYVOJBSA-N 1 0 287.323 2.241 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccnc1 ZINC000876907583 650481545 /nfs/dbraw/zinc/48/15/45/650481545.db2.gz GWESKISTHUORNC-QFWMXSHPSA-N 1 0 287.323 2.241 20 5 CEBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000913405029 639274008 /nfs/dbraw/zinc/27/40/08/639274008.db2.gz OMIUCKRSJHGYKB-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1c(CNC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536575 639322761 /nfs/dbraw/zinc/32/27/61/639322761.db2.gz UXRPHQGBHBRDLK-ZDUSSCGKSA-N 1 0 277.368 2.335 20 5 CEBDRO CC[C@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626028 639349115 /nfs/dbraw/zinc/34/91/15/639349115.db2.gz FTVYUAZDSZSQLK-JTQLQIEISA-N 1 0 262.269 2.315 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000876934914 650492388 /nfs/dbraw/zinc/49/23/88/650492388.db2.gz LZNQEZPKBCNKLX-VHSXEESVSA-N 1 0 279.340 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)s1 ZINC000225421320 639496422 /nfs/dbraw/zinc/49/64/22/639496422.db2.gz DGCKSMPPTNNXRD-ZETCQYMHSA-N 1 0 280.309 2.173 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226771434 639564416 /nfs/dbraw/zinc/56/44/16/639564416.db2.gz PTYGDSRAZHAAPB-VIFPVBQESA-N 1 0 272.374 2.440 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000841057035 639634536 /nfs/dbraw/zinc/63/45/36/639634536.db2.gz ASDMRPDELOLTGO-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[NH2+]C1 ZINC000841233519 639714867 /nfs/dbraw/zinc/71/48/67/639714867.db2.gz WWDCXOLSJOVBAL-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC=CCC3)C2)c1 ZINC000876988024 650520723 /nfs/dbraw/zinc/52/07/23/650520723.db2.gz QUCUQRZBEAQORR-PNESKVBLSA-N 1 0 276.340 2.441 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172196120 639753455 /nfs/dbraw/zinc/75/34/55/639753455.db2.gz WCEUHGKQYDDBSC-NSHDSACASA-N 1 0 281.331 2.117 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063194642 639837462 /nfs/dbraw/zinc/83/74/62/639837462.db2.gz AVQHXLOIDHJEKT-GWCFXTLKSA-N 1 0 281.331 2.436 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000231884154 639882600 /nfs/dbraw/zinc/88/26/00/639882600.db2.gz PZIZNUWZHNTBCF-JTQLQIEISA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925382652 640020965 /nfs/dbraw/zinc/02/09/65/640020965.db2.gz MIFBRPICYUGDGB-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478076 640076494 /nfs/dbraw/zinc/07/64/94/640076494.db2.gz LYIMVHJOFPHNIT-SWLSCSKDSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842478074 640077210 /nfs/dbraw/zinc/07/72/10/640077210.db2.gz LYIMVHJOFPHNIT-DOMZBBRYSA-N 1 0 275.352 2.484 20 5 CEBDRO CNc1ccc(-c2nc([C@H](C)C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000842575754 640104933 /nfs/dbraw/zinc/10/49/33/640104933.db2.gz DOVOKENVKBUHCR-MRVPVSSYSA-N 1 0 291.311 2.009 20 5 CEBDRO C[NH2+]C[C@@H](C)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000842578131 640106253 /nfs/dbraw/zinc/10/62/53/640106253.db2.gz URHSXFZRKDOCOU-DAGBOUIGSA-N 1 0 288.307 2.471 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056862 640258122 /nfs/dbraw/zinc/25/81/22/640258122.db2.gz BDFILDLRQIBZMD-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO CC(C)[NH2+]CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170535 640321851 /nfs/dbraw/zinc/32/18/51/640321851.db2.gz DHWCUJMGPZRXCH-UHFFFAOYSA-N 1 0 290.323 2.109 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877104110 650574690 /nfs/dbraw/zinc/57/46/90/650574690.db2.gz BRZWOAGSILYRQA-SNVBAGLBSA-N 1 0 279.340 2.137 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(C4CC4)CC3)C2)c1 ZINC000877113189 650579435 /nfs/dbraw/zinc/57/94/35/650579435.db2.gz CSBNSJKDXORDHS-UHFFFAOYSA-N 1 0 276.340 2.275 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000917838152 640920699 /nfs/dbraw/zinc/92/06/99/640920699.db2.gz JJSYJVRAEOVWIW-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000847829316 641797253 /nfs/dbraw/zinc/79/72/53/641797253.db2.gz WXEXDVUJQBCIBC-NSHDSACASA-N 1 0 278.308 2.093 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCCCC[NH3+] ZINC000877437931 650722255 /nfs/dbraw/zinc/72/22/55/650722255.db2.gz CGPIVCFSHODMDV-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877459340 650727988 /nfs/dbraw/zinc/72/79/88/650727988.db2.gz HZRJYQXXWTWYQI-QYNFOATHSA-N 1 0 264.329 2.273 20 5 CEBDRO [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC000849006493 642223009 /nfs/dbraw/zinc/22/30/09/642223009.db2.gz LDCWWFVXWXRVMQ-UHFFFAOYSA-N 1 0 276.340 2.148 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000877575046 650795903 /nfs/dbraw/zinc/79/59/03/650795903.db2.gz DWXGFGJLWWHALF-TZMCWYRMSA-N 1 0 278.352 2.462 20 5 CEBDRO C[C@H]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877630789 650823515 /nfs/dbraw/zinc/82/35/15/650823515.db2.gz MSXKBLONRHWDAX-BBCYWQGDSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000877631773 650824194 /nfs/dbraw/zinc/82/41/94/650824194.db2.gz VAEOKIZYHNVDKD-SWLSCSKDSA-N 1 0 276.336 2.168 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CSC1 ZINC000877634569 650825781 /nfs/dbraw/zinc/82/57/81/650825781.db2.gz SGMNJUPEIKWJIP-UHFFFAOYSA-N 1 0 252.339 2.417 20 5 CEBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C[C@@H]2O1 ZINC000922875675 643302410 /nfs/dbraw/zinc/30/24/10/643302410.db2.gz CWSXUCLOQYXXER-DEZZGGKRSA-N 1 0 292.335 2.367 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H]3CCSC3)C2)c1 ZINC000877661453 650838825 /nfs/dbraw/zinc/83/88/25/650838825.db2.gz AJXRWENFOQNDEE-UNXYVOJBSA-N 1 0 296.396 2.228 20 5 CEBDRO [NH3+]CC12CC(C1)CN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852756181 643539540 /nfs/dbraw/zinc/53/95/40/643539540.db2.gz XYNFMGUOBJJCQM-UHFFFAOYSA-N 1 0 281.743 2.171 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000923443403 643713098 /nfs/dbraw/zinc/71/30/98/643713098.db2.gz OOWPXEWSTPYXPW-FRRDWIJNSA-N 1 0 293.367 2.044 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000877740246 650882521 /nfs/dbraw/zinc/88/25/21/650882521.db2.gz JKAZQYJFRHPQFA-WFASDCNBSA-N 1 0 293.342 2.260 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000838918788 644068537 /nfs/dbraw/zinc/06/85/37/644068537.db2.gz VYDWSJJORZNVRP-UHFFFAOYSA-N 1 0 296.298 2.309 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1Cl ZINC000877810938 650917384 /nfs/dbraw/zinc/91/73/84/650917384.db2.gz BNIOQVIEUMTCOH-MGCOHNPYSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCCCCCC1 ZINC000755050794 644465698 /nfs/dbraw/zinc/46/56/98/644465698.db2.gz LKTZVAYOZACSCL-UHFFFAOYSA-N 1 0 266.345 2.366 20 5 CEBDRO CC1([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC(F)(F)C1 ZINC000877833409 650927077 /nfs/dbraw/zinc/92/70/77/650927077.db2.gz HOURYMUQDOMLMM-UHFFFAOYSA-N 1 0 286.282 2.272 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000755918540 644581967 /nfs/dbraw/zinc/58/19/67/644581967.db2.gz CVVSVAHTYQQXDF-GFCCVEGCSA-N 1 0 266.345 2.344 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000857238835 644867651 /nfs/dbraw/zinc/86/76/51/644867651.db2.gz DPYDZJRWSCBNBK-PWSUYJOCSA-N 1 0 286.278 2.263 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000759871888 645086244 /nfs/dbraw/zinc/08/62/44/645086244.db2.gz YWCMUOVLDPUIBU-UHFFFAOYSA-N 1 0 270.716 2.203 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000858562206 645202571 /nfs/dbraw/zinc/20/25/71/645202571.db2.gz JNRKYNVEAWPCBR-IWIIMEHWSA-N 1 0 281.743 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cccn2)cc1Cl ZINC000761520746 645293873 /nfs/dbraw/zinc/29/38/73/645293873.db2.gz FCUGVOXWQMQBJM-UHFFFAOYSA-N 1 0 280.715 2.235 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000860089755 645697192 /nfs/dbraw/zinc/69/71/92/645697192.db2.gz GQPSTYUUGIJFSB-ZYHUDNBSSA-N 1 0 282.315 2.327 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000863565324 646757593 /nfs/dbraw/zinc/75/75/93/646757593.db2.gz GUQIBKAAKGTOLG-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863576758 646761722 /nfs/dbraw/zinc/76/17/22/646761722.db2.gz UMUMCULZFCFYIA-HIFRSBDPSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]([NH3+])CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863651079 646777093 /nfs/dbraw/zinc/77/70/93/646777093.db2.gz AOAFYUROZAKVSS-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000863657759 646781288 /nfs/dbraw/zinc/78/12/88/646781288.db2.gz GELGSDSQUYDAGB-KOLCDFICSA-N 1 0 292.270 2.265 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774524019 646857913 /nfs/dbraw/zinc/85/79/13/646857913.db2.gz MNAZSAXPIRPRNW-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO CC[C@H]1CCN(C(=[NH2+])NCCc2ccccc2[N+](=O)[O-])C1 ZINC000864460080 647014564 /nfs/dbraw/zinc/01/45/64/647014564.db2.gz GEHBKCUCRPDIIT-LBPRGKRZSA-N 1 0 290.367 2.394 20 5 CEBDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000864460693 647015475 /nfs/dbraw/zinc/01/54/75/647015475.db2.gz ZDFMDVVPUDDTBB-CPCISQLKSA-N 1 0 282.731 2.271 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000778092894 647199307 /nfs/dbraw/zinc/19/93/07/647199307.db2.gz GSFBBEBPWQSQHI-ZDUSSCGKSA-N 1 0 294.282 2.459 20 5 CEBDRO CC(C)[NH+]1CCC(CCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000866085755 647602266 /nfs/dbraw/zinc/60/22/66/647602266.db2.gz FJJMLWQFCZLXCC-UHFFFAOYSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1cccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206147 647669435 /nfs/dbraw/zinc/66/94/35/647669435.db2.gz BSGYRDQHIVNUPD-NEPJUHHUSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783665121 647745750 /nfs/dbraw/zinc/74/57/50/647745750.db2.gz UPRUWAJNINKGCW-DTWKUNHWSA-N 1 0 272.732 2.497 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783679475 647747580 /nfs/dbraw/zinc/74/75/80/647747580.db2.gz IIVVGKMABFJQJC-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CCC1 ZINC000866368482 647759846 /nfs/dbraw/zinc/75/98/46/647759846.db2.gz CPABTXYRUWKMKM-ZUZCIYMTSA-N 1 0 296.342 2.416 20 5 CEBDRO Cc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000866666967 647861555 /nfs/dbraw/zinc/86/15/55/647861555.db2.gz YDPMMBYXLKGNNV-LALPHHSUSA-N 1 0 277.368 2.379 20 5 CEBDRO O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000785730756 647951323 /nfs/dbraw/zinc/95/13/23/647951323.db2.gz RQGBRXUVDPZHRL-UHFFFAOYSA-N 1 0 283.243 2.462 20 5 CEBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788661591 648212097 /nfs/dbraw/zinc/21/20/97/648212097.db2.gz BGNHYZLMSWUEQG-JQWIXIFHSA-N 1 0 281.356 2.379 20 5 CEBDRO C[N@H+](CCCOc1cccc(Cl)c1)CC[N+](=O)[O-] ZINC000791051947 648476297 /nfs/dbraw/zinc/47/62/97/648476297.db2.gz IQXQIKADISQTGB-UHFFFAOYSA-N 1 0 272.732 2.317 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000791871341 648578604 /nfs/dbraw/zinc/57/86/04/648578604.db2.gz VZKQIVHEGGJQBW-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037192 649248904 /nfs/dbraw/zinc/24/89/04/649248904.db2.gz BVCQEMSFUOWGRD-IUCAKERBSA-N 1 0 256.277 2.155 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000872080886 649266952 /nfs/dbraw/zinc/26/69/52/649266952.db2.gz CJDHHTUDUGVHMP-XXILOJSOSA-N 1 0 282.365 2.491 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000872125789 649284995 /nfs/dbraw/zinc/28/49/95/649284995.db2.gz GQSNPTXJLZLKMF-NQBHXWOUSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202467 649313314 /nfs/dbraw/zinc/31/33/14/649313314.db2.gz JJRIRAILXBESQE-AAEUAGOBSA-N 1 0 296.367 2.076 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202468 649313674 /nfs/dbraw/zinc/31/36/74/649313674.db2.gz JJRIRAILXBESQE-DGCLKSJQSA-N 1 0 296.367 2.076 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872243453 649326509 /nfs/dbraw/zinc/32/65/09/649326509.db2.gz PHYLOITYMVUZKJ-UONOGXRCSA-N 1 0 294.351 2.033 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781731 649488897 /nfs/dbraw/zinc/48/88/97/649488897.db2.gz XWAHCWQHJLTSER-NWDGAFQWSA-N 1 0 296.758 2.316 20 5 CEBDRO CC(C)(CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124312533 649506941 /nfs/dbraw/zinc/50/69/41/649506941.db2.gz QULAZTCNDKNYRD-UHFFFAOYSA-N 1 0 272.732 2.356 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC1 ZINC000873012395 649530477 /nfs/dbraw/zinc/53/04/77/649530477.db2.gz GTHMCXUWGMRLJR-GFCCVEGCSA-N 1 0 264.325 2.338 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873057207 649545826 /nfs/dbraw/zinc/54/58/26/649545826.db2.gz PJKVUOUBXSELOJ-CYBMUJFWSA-N 1 0 291.351 2.002 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000873063154 649547855 /nfs/dbraw/zinc/54/78/55/649547855.db2.gz MAYOSBMFJWGURQ-DOMZBBRYSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCOC1 ZINC000873094233 649557689 /nfs/dbraw/zinc/55/76/89/649557689.db2.gz DBEWMRJZLPFDHH-NSHDSACASA-N 1 0 250.298 2.090 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](O)C(F)F ZINC000873151759 649571119 /nfs/dbraw/zinc/57/11/19/649571119.db2.gz ZZERAOVVAAJZAA-GFCCVEGCSA-N 1 0 288.294 2.317 20 5 CEBDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000878660355 651155901 /nfs/dbraw/zinc/15/59/01/651155901.db2.gz SPWYTQFHASROHT-NSHDSACASA-N 1 0 262.313 2.048 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@]12C[C@H]1CCCC2 ZINC000879263201 651272783 /nfs/dbraw/zinc/27/27/83/651272783.db2.gz ITUFUJASBWASGO-SCRDCRAPSA-N 1 0 278.356 2.350 20 5 CEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000882820398 652228878 /nfs/dbraw/zinc/22/88/78/652228878.db2.gz NPMGVEVTZVGBAC-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883187892 652393651 /nfs/dbraw/zinc/39/36/51/652393651.db2.gz YUSXGOBFODTPDW-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@H](CSC)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000132645938 652542944 /nfs/dbraw/zinc/54/29/44/652542944.db2.gz OBBBORSKDMPFDZ-YPMHNXCESA-N 1 0 284.381 2.359 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884021233 652633312 /nfs/dbraw/zinc/63/33/12/652633312.db2.gz VVBVSYMRYJVUED-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000133728474 652711075 /nfs/dbraw/zinc/71/10/75/652711075.db2.gz NELSHUFILFQPBG-ZDUSSCGKSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000884301864 652787507 /nfs/dbraw/zinc/78/75/07/652787507.db2.gz FICMVCXMMXAQPO-NEPJUHHUSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000216143837 652967848 /nfs/dbraw/zinc/96/78/48/652967848.db2.gz JIMVPMKKUZADCQ-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CCC1([NH+]2CCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000884716766 652969997 /nfs/dbraw/zinc/96/99/97/652969997.db2.gz IICSDUVQKGRKRI-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000408169515 719209902 /nfs/dbraw/zinc/20/99/02/719209902.db2.gz OCLVZJAEQVEYPR-NEPJUHHUSA-N 1 0 278.356 2.135 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000601102660 721854028 /nfs/dbraw/zinc/85/40/28/721854028.db2.gz CFUHRPKPCQYPLY-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165053474 722001902 /nfs/dbraw/zinc/00/19/02/722001902.db2.gz NMPZUNGCOPDXFK-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO CC[NH+](CC)C1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001165053162 722002310 /nfs/dbraw/zinc/00/23/10/722002310.db2.gz JLSPAYMDIHZNSK-UHFFFAOYSA-N 1 0 293.371 2.004 20 5 CEBDRO C[N@@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226366322 805587972 /nfs/dbraw/zinc/58/79/72/805587972.db2.gz KHFAOMDJXCOZLF-MRVPVSSYSA-N 1 0 271.704 2.116 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Oc2c(OC)cccc2[N+](=O)[O-])C1 ZINC001227700684 805966646 /nfs/dbraw/zinc/96/66/46/805966646.db2.gz FHQKGEWFSQYSFE-NSHDSACASA-N 1 0 280.324 2.467 20 5 CEBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001228833861 806348235 /nfs/dbraw/zinc/34/82/35/806348235.db2.gz SPQPKYUWRWSGKS-CQSZACIVSA-N 1 0 262.309 2.376 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+]CC[C@H]2F)c1F ZINC001168231407 806425920 /nfs/dbraw/zinc/42/59/20/806425920.db2.gz OFWNAVSNXYIKRR-KOLCDFICSA-N 1 0 271.267 2.154 20 5 CEBDRO CC(=O)Nc1ccc(NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001168314104 806646542 /nfs/dbraw/zinc/64/65/42/806646542.db2.gz KHPUJFBKJNYOAX-UHFFFAOYSA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@H](CCNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000697838941 806703492 /nfs/dbraw/zinc/70/34/92/806703492.db2.gz REAZZVBNMIPPAG-SECBINFHSA-N 1 0 257.359 2.086 20 5 CEBDRO CC(C)Oc1cc(COCC[N+](C)(C)C)ccn1 ZINC001224773594 806950547 /nfs/dbraw/zinc/95/05/47/806950547.db2.gz KJYFRIHPBVKHCC-UHFFFAOYSA-N 1 0 253.366 2.092 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001167278255 802624961 /nfs/dbraw/zinc/62/49/61/802624961.db2.gz FBWKWNSZEBXAHX-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO CC(C)=C(F)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125593166 803132568 /nfs/dbraw/zinc/13/25/68/803132568.db2.gz PYBQBZLGGZQOFQ-UHFFFAOYSA-N 1 0 295.314 2.064 20 5 CEBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001167593676 803174476 /nfs/dbraw/zinc/17/44/76/803174476.db2.gz YYQNQLHOKUYDRN-UHFFFAOYSA-N 1 0 297.112 2.002 20 5 CEBDRO CC[N@H+](CCNC(=O)C(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267236524 803270303 /nfs/dbraw/zinc/27/03/03/803270303.db2.gz NIKVABREQVONAO-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO N=C(Nc1cc2cccnc2c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167913481 803610859 /nfs/dbraw/zinc/61/08/59/803610859.db2.gz YVDNZQQMMCSBOJ-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO C[NH2+]CCNc1ncnc2cc3ccccc3cc21 ZINC001167723376 803672824 /nfs/dbraw/zinc/67/28/24/803672824.db2.gz RBYWGXCPPPJYRY-UHFFFAOYSA-N 1 0 252.321 2.414 20 5 CEBDRO CC(C)(C)c1cnc(NC(=N)SCC[NH3+])c([N+](=O)[O-])c1 ZINC001167910454 804692597 /nfs/dbraw/zinc/69/25/97/804692597.db2.gz UHJIUZJURFEATE-UHFFFAOYSA-N 1 0 297.384 2.326 20 5 CEBDRO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793612 805298885 /nfs/dbraw/zinc/29/88/85/805298885.db2.gz BYRMXANDKSVEOJ-VIFPVBQESA-N 1 0 254.261 2.207 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000721776112 805400539 /nfs/dbraw/zinc/40/05/39/805400539.db2.gz KEUVZNASBVYDRD-NSHDSACASA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1cnccc1Br ZINC001226071977 805483016 /nfs/dbraw/zinc/48/30/16/805483016.db2.gz KQTVGIMTQSWQQE-SECBINFHSA-N 1 0 274.182 2.318 20 5 CEBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226191522 805547965 /nfs/dbraw/zinc/54/79/65/805547965.db2.gz PJWKIUPJPGTLRP-MRVPVSSYSA-N 1 0 272.251 2.346 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000698119870 806991365 /nfs/dbraw/zinc/99/13/65/806991365.db2.gz ODYAZUBPEIMCHQ-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[C@@H](F)C3)C2)c1 ZINC001119304668 815087798 /nfs/dbraw/zinc/08/77/98/815087798.db2.gz WKYHFSDGJSDGGI-QKEWWQLBSA-N 1 0 282.319 2.365 20 5 CEBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccsc3[N+](=O)[O-])[C@@H]2C1 ZINC001120922864 807353235 /nfs/dbraw/zinc/35/32/35/807353235.db2.gz RJEFXGWVHXQOQO-AEJSXWLSSA-N 1 0 267.354 2.408 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000716715262 815144307 /nfs/dbraw/zinc/14/43/07/815144307.db2.gz FFWRTFPFGIWJDB-NSHDSACASA-N 1 0 274.267 2.009 20 5 CEBDRO CC(C)(C)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168557723 808626443 /nfs/dbraw/zinc/62/64/43/808626443.db2.gz MIGGFFUZJQMAFI-ZDUSSCGKSA-N 1 0 279.340 2.017 20 5 CEBDRO CCC1(Nc2ccc([N+](=O)[O-])c3cnccc23)C[NH2+]C1 ZINC001168583580 808670337 /nfs/dbraw/zinc/67/03/37/808670337.db2.gz NVYLSXXHJQOLMB-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO CCC1(Nc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]C1 ZINC001168584068 808670972 /nfs/dbraw/zinc/67/09/72/808670972.db2.gz YBWOPARGMLPLRE-UHFFFAOYSA-N 1 0 255.705 2.412 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700626427 809333546 /nfs/dbraw/zinc/33/35/46/809333546.db2.gz VEXVYUGDLLCDRA-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162328482 809372817 /nfs/dbraw/zinc/37/28/17/809372817.db2.gz RVUPPGVXXHDWDZ-DGFRNANFSA-N 1 0 270.720 2.243 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[NH2+]1 ZINC000701043223 809383959 /nfs/dbraw/zinc/38/39/59/809383959.db2.gz PRQSXUNHMVQHMZ-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702039019 809489674 /nfs/dbraw/zinc/48/96/74/809489674.db2.gz MWKARSUVQDKYTG-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034571646 809631333 /nfs/dbraw/zinc/63/13/33/809631333.db2.gz DNEIMALGCKJUCH-HDJSIYSDSA-N 1 0 291.351 2.132 20 5 CEBDRO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC001121008577 815304849 /nfs/dbraw/zinc/30/48/49/815304849.db2.gz NTTSJRWYOHEMBE-QJPTWQEYSA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000706499394 809827748 /nfs/dbraw/zinc/82/77/48/809827748.db2.gz LJUBFBZDHQTDFV-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001122252377 815395816 /nfs/dbraw/zinc/39/58/16/815395816.db2.gz QGGBESKBXGDCDJ-FZMZJTMJSA-N 1 0 291.351 2.304 20 5 CEBDRO CCOc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154990949 810894753 /nfs/dbraw/zinc/89/47/53/810894753.db2.gz ZJWWQKBZXSAFMT-UWVGGRQHSA-N 1 0 280.328 2.070 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712333601 811192330 /nfs/dbraw/zinc/19/23/30/811192330.db2.gz GYOHADFXDLDNMS-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001122593239 815428687 /nfs/dbraw/zinc/42/86/87/815428687.db2.gz GMSMKTBALZPWHL-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO [NH3+][C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979711 811308473 /nfs/dbraw/zinc/30/84/73/811308473.db2.gz ZOFYSELKTHYDNE-OUCADQQQSA-N 1 0 275.352 2.342 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979017 811308618 /nfs/dbraw/zinc/30/86/18/811308618.db2.gz WENUWGLZHKUOFM-LXFSFDBISA-N 1 0 281.400 2.037 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982847 811309850 /nfs/dbraw/zinc/30/98/50/811309850.db2.gz JCWINVJROXVWBL-SUNKGSAMSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001168984498 811311488 /nfs/dbraw/zinc/31/14/88/811311488.db2.gz OYZLHJLSLFQMDF-AAEUAGOBSA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001168955749 811312939 /nfs/dbraw/zinc/31/29/39/811312939.db2.gz BWFOEZCROZKQON-CHWSQXEVSA-N 1 0 264.325 2.100 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC001168958561 811313151 /nfs/dbraw/zinc/31/31/51/811313151.db2.gz OGAXPXZZMUDASX-TZMCWYRMSA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccn2)C1 ZINC001168962863 811314975 /nfs/dbraw/zinc/31/49/75/811314975.db2.gz NHGQSLIDRSKEBM-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO CCCN(CCC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965639 811317748 /nfs/dbraw/zinc/31/77/48/811317748.db2.gz BKUCHYGECGZKDT-UONOGXRCSA-N 1 0 271.405 2.143 20 5 CEBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964760 811317768 /nfs/dbraw/zinc/31/77/68/811317768.db2.gz VXOQNVFQRHTPLA-WDMOLILDSA-N 1 0 289.335 2.023 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967103 811318112 /nfs/dbraw/zinc/31/81/12/811318112.db2.gz NHKLIEVMGHAYLF-CHWSQXEVSA-N 1 0 264.325 2.230 20 5 CEBDRO [NH3+]Cc1ccc2nn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2c1 ZINC001168967922 811319989 /nfs/dbraw/zinc/31/99/89/811319989.db2.gz UQMUIJQTHSMEJV-YPMHNXCESA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1ccc(C2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc1 ZINC001168992021 811324979 /nfs/dbraw/zinc/32/49/79/811324979.db2.gz JADCGBDIWYUHRC-KGLIPLIRSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cn3)CC2)C1 ZINC001168998597 811326088 /nfs/dbraw/zinc/32/60/88/811326088.db2.gz OXAHYKDTCUSPBS-WCQYABFASA-N 1 0 293.342 2.287 20 5 CEBDRO CC(C)(C)OCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998192 811327116 /nfs/dbraw/zinc/32/71/16/811327116.db2.gz JMLWCPATMPABDV-NWDGAFQWSA-N 1 0 258.362 2.227 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccncc32)C1 ZINC001169003504 811331310 /nfs/dbraw/zinc/33/13/10/811331310.db2.gz NVFPAANNZRHPRZ-OSAQELSMSA-N 1 0 275.352 2.494 20 5 CEBDRO O=C(CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001169009081 811334797 /nfs/dbraw/zinc/33/47/97/811334797.db2.gz VBJQTIIUYILPJR-TZMCWYRMSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C1 ZINC001169011364 811334996 /nfs/dbraw/zinc/33/49/96/811334996.db2.gz KAOSOZWIVSKGHY-WISYIIOYSA-N 1 0 274.311 2.409 20 5 CEBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987219 811335932 /nfs/dbraw/zinc/33/59/32/811335932.db2.gz HQRMGNIODHAYDX-LALPHHSUSA-N 1 0 296.342 2.203 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2noc3ccccc23)C1 ZINC001168987975 811337238 /nfs/dbraw/zinc/33/72/38/811337238.db2.gz LYEFSRYXMALPNX-MNOVXSKESA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC001168988563 811337662 /nfs/dbraw/zinc/33/76/62/811337662.db2.gz SLLNGCIOPHNWIO-KCJUWKMLSA-N 1 0 287.722 2.409 20 5 CEBDRO [NH3+]Cc1ccc2cn([C@H]3CC[C@H](C[N+](=O)[O-])C3)nc2c1 ZINC001168987771 811338316 /nfs/dbraw/zinc/33/83/16/811338316.db2.gz KDBDLNVAGRGNSN-AAEUAGOBSA-N 1 0 274.324 2.113 20 5 CEBDRO COc1cc(F)cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168988116 811338507 /nfs/dbraw/zinc/33/85/07/811338507.db2.gz OAIFBSDNSHVOFW-MFKMUULPSA-N 1 0 282.315 2.369 20 5 CEBDRO COCCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169027509 811338855 /nfs/dbraw/zinc/33/88/55/811338855.db2.gz QRCQAFHDJMJXPK-UONOGXRCSA-N 1 0 270.373 2.180 20 5 CEBDRO CSC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033003 811343135 /nfs/dbraw/zinc/34/31/35/811343135.db2.gz AWVADLHCMLWKLU-WDEREUQCSA-N 1 0 258.387 2.259 20 5 CEBDRO CC[N@H+](Cc1ccccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036899 811347121 /nfs/dbraw/zinc/34/71/21/811347121.db2.gz QMRBZFPBXJTHOQ-JSGCOSHPSA-N 1 0 263.341 2.349 20 5 CEBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169038212 811347923 /nfs/dbraw/zinc/34/79/23/811347923.db2.gz WYEXXXVOWBRFGO-SYQHCUMBSA-N 1 0 298.383 2.095 20 5 CEBDRO CC[N@H+](CCN1CCCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039738 811348841 /nfs/dbraw/zinc/34/88/41/811348841.db2.gz SUWCPEODMKQRAV-GJZGRUSLSA-N 1 0 283.416 2.240 20 5 CEBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043507 811350400 /nfs/dbraw/zinc/35/04/00/811350400.db2.gz GXKFHIBUVYGTJB-OCCSQVGLSA-N 1 0 298.383 2.240 20 5 CEBDRO Cc1cnc2c(c1)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048879 811356516 /nfs/dbraw/zinc/35/65/16/811356516.db2.gz VOFZMUNKLSWYRX-JSGCOSHPSA-N 1 0 275.352 2.194 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001169232723 811448183 /nfs/dbraw/zinc/44/81/83/811448183.db2.gz JAGAHRWWTZIHFX-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169236451 811457444 /nfs/dbraw/zinc/45/74/44/811457444.db2.gz DUPKVVQPBWSNDC-MRVPVSSYSA-N 1 0 264.260 2.248 20 5 CEBDRO C[C@H](COC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N+](=O)[O-] ZINC001122950036 815457130 /nfs/dbraw/zinc/45/71/30/815457130.db2.gz FBPGOZUIFABWSQ-LLVKDONJSA-N 1 0 296.323 2.088 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1N(C)C(C)(C)C[NH3+] ZINC001170059423 812015482 /nfs/dbraw/zinc/01/54/82/812015482.db2.gz UXPBFBAASQIAEQ-UHFFFAOYSA-N 1 0 267.329 2.085 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1N(C)C(C)(C)C[NH3+] ZINC001170060900 812017818 /nfs/dbraw/zinc/01/78/18/812017818.db2.gz WOSJMNCTBZSRPM-UHFFFAOYSA-N 1 0 255.293 2.216 20 5 CEBDRO CC[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327120 812387132 /nfs/dbraw/zinc/38/71/32/812387132.db2.gz FAPPUXXSEPAIQK-SNVBAGLBSA-N 1 0 252.314 2.486 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170307889 812390254 /nfs/dbraw/zinc/39/02/54/812390254.db2.gz JSOMJYIJCDFRSI-IXPVHAAZSA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)N2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353421 812392362 /nfs/dbraw/zinc/39/23/62/812392362.db2.gz XZQRHFZVRWQXKW-HONMWMINSA-N 1 0 292.335 2.008 20 5 CEBDRO [NH3+][C@H]1CCCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900344 815539238 /nfs/dbraw/zinc/53/92/38/815539238.db2.gz SMZKUNABBMJUEU-LSDHHAIUSA-N 1 0 289.379 2.265 20 5 CEBDRO CC(C)N(c1nccc(Cl)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158021119 812592471 /nfs/dbraw/zinc/59/24/71/812592471.db2.gz GNSQPLQHZVGFEP-SECBINFHSA-N 1 0 284.747 2.220 20 5 CEBDRO NC[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902451 815540967 /nfs/dbraw/zinc/54/09/67/815540967.db2.gz YOSXHOMIERBWAX-HOCLYGCPSA-N 1 0 289.379 2.265 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158164580 812616673 /nfs/dbraw/zinc/61/66/73/812616673.db2.gz NGFQIJGQNQJIHM-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC13COC3)CC2 ZINC001172916097 815543993 /nfs/dbraw/zinc/54/39/93/815543993.db2.gz QPWFCYJPWHXGAN-CQSZACIVSA-N 1 0 288.347 2.317 20 5 CEBDRO O=[N+]([O-])c1cnc(Cl)cc1NC[C@H]1CCCC[NH2+]1 ZINC001160144380 813730362 /nfs/dbraw/zinc/73/03/62/813730362.db2.gz CVVKGZNHFQUAFL-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2COC)C[C@@H]1C ZINC000754078957 814118022 /nfs/dbraw/zinc/11/80/22/814118022.db2.gz CMNJIOQUQPDNQZ-LBPRGKRZSA-N 1 0 293.367 2.272 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000712616972 814758235 /nfs/dbraw/zinc/75/82/35/814758235.db2.gz SNFTYLSEHNNEFA-JTQLQIEISA-N 1 0 253.277 2.240 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000714481914 814908272 /nfs/dbraw/zinc/90/82/72/814908272.db2.gz BGGSPRKNERRRDL-BETUJISGSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215666 815623168 /nfs/dbraw/zinc/62/31/68/815623168.db2.gz YFROIFCKEIVPEX-GFCCVEGCSA-N 1 0 288.351 2.321 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCO1 ZINC001173217302 815624821 /nfs/dbraw/zinc/62/48/21/815624821.db2.gz SDTLRSOSXWLLQT-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1CO ZINC001173223560 815628069 /nfs/dbraw/zinc/62/80/69/815628069.db2.gz AWBJUOYLZNIHSU-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](F)C(C)(C)O ZINC001173227607 815630589 /nfs/dbraw/zinc/63/05/89/815630589.db2.gz HFRVWKAYTWKOSO-ZWNOBZJWSA-N 1 0 284.331 2.224 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1COC1 ZINC001173235397 815634279 /nfs/dbraw/zinc/63/42/79/815634279.db2.gz WPSRBIKAIBBIMK-NSHDSACASA-N 1 0 264.325 2.104 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCCC1 ZINC001173210329 815635824 /nfs/dbraw/zinc/63/58/24/815635824.db2.gz IXWHTLNULDYSFP-GFCCVEGCSA-N 1 0 278.352 2.421 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCO)o2)c1 ZINC001177076653 816518991 /nfs/dbraw/zinc/51/89/91/816518991.db2.gz OHEMRKUOBOVUMJ-UHFFFAOYSA-N 1 0 276.292 2.327 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000449065270 282085907 /nfs/dbraw/zinc/08/59/07/282085907.db2.gz YHUJNISEIBVQPK-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nncn1C ZINC000449126918 282110403 /nfs/dbraw/zinc/11/04/03/282110403.db2.gz NUAUPYDDLQYLOJ-MNOVXSKESA-N 1 0 289.339 2.005 20 5 CEBDRO CC[C@@H]([NH2+]CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000034959138 361801446 /nfs/dbraw/zinc/80/14/46/361801446.db2.gz ZMLUNFIJYHEGHC-CYBMUJFWSA-N 1 0 251.330 2.197 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268098672 282119429 /nfs/dbraw/zinc/11/94/29/282119429.db2.gz BHBKMDMLWLSOPJ-NSHDSACASA-N 1 0 294.311 2.033 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175276 282131497 /nfs/dbraw/zinc/13/14/97/282131497.db2.gz ODZYGMQLZOPQJB-QWHCGFSZSA-N 1 0 296.367 2.167 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000601323478 346820502 /nfs/dbraw/zinc/82/05/02/346820502.db2.gz AULZIVAGAPCUEG-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000601325038 346821300 /nfs/dbraw/zinc/82/13/00/346821300.db2.gz XVBYLGOZGHBUOC-GFCCVEGCSA-N 1 0 281.331 2.437 20 5 CEBDRO Cc1ccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601328437 346822375 /nfs/dbraw/zinc/82/23/75/346822375.db2.gz PPEXLOCTVMGVJO-HIFRSBDPSA-N 1 0 275.352 2.135 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449205302 282141142 /nfs/dbraw/zinc/14/11/42/282141142.db2.gz NYKIZZQDEHVYMV-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO [NH3+]CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037714741 361922916 /nfs/dbraw/zinc/92/29/16/361922916.db2.gz NNIALMNKKMMVJV-UHFFFAOYSA-N 1 0 260.297 2.294 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766563 361933319 /nfs/dbraw/zinc/93/33/19/361933319.db2.gz IBZFGDZHDUGURI-GXFFZTMASA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000449239439 282154332 /nfs/dbraw/zinc/15/43/32/282154332.db2.gz JMYRUYVNIVTCPU-JGRMJRGVSA-N 1 0 298.408 2.225 20 5 CEBDRO CO[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449268564 282164170 /nfs/dbraw/zinc/16/41/70/282164170.db2.gz HTBVTQGVSSECNT-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CC2)ccc1Cl ZINC000042479092 362098303 /nfs/dbraw/zinc/09/83/03/362098303.db2.gz OFSOEINLWQJEJN-UHFFFAOYSA-N 1 0 270.716 2.205 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000047496265 362209333 /nfs/dbraw/zinc/20/93/33/362209333.db2.gz RJZXXXBJOIUQAL-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000127516196 365751081 /nfs/dbraw/zinc/75/10/81/365751081.db2.gz CSFMECSNLRBXSE-VXGBXAGGSA-N 1 0 266.345 2.159 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000048752123 343532561 /nfs/dbraw/zinc/53/25/61/343532561.db2.gz ZOJQRHYWPOHHGU-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974332 346948002 /nfs/dbraw/zinc/94/80/02/346948002.db2.gz ICXUZYUZPZWBAA-BETUJISGSA-N 1 0 292.335 2.072 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066137777 343708292 /nfs/dbraw/zinc/70/82/92/343708292.db2.gz XLZPNCSGZWTYEG-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000063863568 343685373 /nfs/dbraw/zinc/68/53/73/343685373.db2.gz FYXFQXMBWGAIDS-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC[NH+](CC)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068190971 343756951 /nfs/dbraw/zinc/75/69/51/343756951.db2.gz GVBBUDWMZKIHFV-MDZDMXLPSA-N 1 0 291.351 2.066 20 5 CEBDRO CN1CC[NH+](CCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000075669927 343861725 /nfs/dbraw/zinc/86/17/25/343861725.db2.gz AVYXHNLXKUGJQQ-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO COc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000078262491 343944884 /nfs/dbraw/zinc/94/48/84/343944884.db2.gz HJDKPBHNLBPTCA-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048347046 362259727 /nfs/dbraw/zinc/25/97/27/362259727.db2.gz MSKZILNHMMKDKS-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078583705 343958043 /nfs/dbraw/zinc/95/80/43/343958043.db2.gz VNJSKNXMRRRLJM-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO COc1cc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000091482842 344164995 /nfs/dbraw/zinc/16/49/95/344164995.db2.gz VSVKJWCFXGLOMH-JTQLQIEISA-N 1 0 297.330 2.496 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442508 347034483 /nfs/dbraw/zinc/03/44/83/347034483.db2.gz BZRFJQLFABZTIQ-CYBMUJFWSA-N 1 0 293.367 2.317 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092649514 344197416 /nfs/dbraw/zinc/19/74/16/344197416.db2.gz UCDXRLBEHPAYBV-CQSZACIVSA-N 1 0 293.367 2.426 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128419163 344336705 /nfs/dbraw/zinc/33/67/05/344336705.db2.gz KUAZAVSLAYUZOJ-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCO ZINC000151948842 344423589 /nfs/dbraw/zinc/42/35/89/344423589.db2.gz VRCJDTXQFYHRQR-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO Cn1cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602477033 347050723 /nfs/dbraw/zinc/05/07/23/347050723.db2.gz OVSPQQKOMYGBDV-NEPJUHHUSA-N 1 0 296.396 2.188 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000149925016 344415807 /nfs/dbraw/zinc/41/58/07/344415807.db2.gz CLZYNKMLXSSJMH-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CCCn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000160090509 344457077 /nfs/dbraw/zinc/45/70/77/344457077.db2.gz GOIVYVNPNYQHEN-UHFFFAOYSA-N 1 0 274.324 2.491 20 5 CEBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000162781138 344468623 /nfs/dbraw/zinc/46/86/23/344468623.db2.gz CJQGZRJGKXKGDI-OLZOCXBDSA-N 1 0 294.351 2.378 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000167349343 344478661 /nfs/dbraw/zinc/47/86/61/344478661.db2.gz AHYQHOPCSKNCSC-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449721863 282342432 /nfs/dbraw/zinc/34/24/32/282342432.db2.gz KFZOTZQESKYWAC-GXFFZTMASA-N 1 0 291.351 2.014 20 5 CEBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170736798 344488786 /nfs/dbraw/zinc/48/87/86/344488786.db2.gz WHRZABVREDTATQ-LBPRGKRZSA-N 1 0 291.351 2.072 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000226453317 344549685 /nfs/dbraw/zinc/54/96/85/344549685.db2.gz NBFHGIOOZTUOLV-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000226771621 344551451 /nfs/dbraw/zinc/55/14/51/344551451.db2.gz SIIPYVQUUKPCQZ-UHFFFAOYSA-N 1 0 270.358 2.195 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227496997 344553561 /nfs/dbraw/zinc/55/35/61/344553561.db2.gz MXNVLMBECOFMTM-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229955895 344569632 /nfs/dbraw/zinc/56/96/32/344569632.db2.gz VBEBPJOTVSEODE-GFCCVEGCSA-N 1 0 289.339 2.343 20 5 CEBDRO CC(C)(NC(=O)CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000236651127 344596912 /nfs/dbraw/zinc/59/69/12/344596912.db2.gz KWHUHHKTZSBBJS-UHFFFAOYSA-N 1 0 291.351 2.218 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCN1C ZINC000236849104 344598132 /nfs/dbraw/zinc/59/81/32/344598132.db2.gz CUZDHPAENTZYEL-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000234712274 344587308 /nfs/dbraw/zinc/58/73/08/344587308.db2.gz YZOMHCSTJFGAHN-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1c(CNC(=O)[C@@H]([NH3+])CCC(C)C)cccc1[N+](=O)[O-] ZINC000602499160 347058614 /nfs/dbraw/zinc/05/86/14/347058614.db2.gz NNNGGAWYNGPAPP-ZDUSSCGKSA-N 1 0 293.367 2.283 20 5 CEBDRO COC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821251 344660018 /nfs/dbraw/zinc/66/00/18/344660018.db2.gz SDDMYZVIAHCLFM-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000273360216 344668664 /nfs/dbraw/zinc/66/86/64/344668664.db2.gz DAOZIOVTJFMNGK-MCIONIFRSA-N 1 0 262.309 2.313 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252883500 344642266 /nfs/dbraw/zinc/64/22/66/344642266.db2.gz VEEMRZYLOKRYBM-KCQAQPDRSA-N 1 0 276.336 2.106 20 5 CEBDRO C[NH2+][C@@H](C)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000311354419 344733717 /nfs/dbraw/zinc/73/37/17/344733717.db2.gz BUBQWNMDYPHFOP-ZETCQYMHSA-N 1 0 281.703 2.109 20 5 CEBDRO CO[C@@](C)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000314376562 344745217 /nfs/dbraw/zinc/74/52/17/344745217.db2.gz QNCAPWVVJZYDFR-HNNXBMFYSA-N 1 0 294.351 2.378 20 5 CEBDRO CC(C)[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602525540 347066770 /nfs/dbraw/zinc/06/67/70/347066770.db2.gz FGQHNGGWEZOCJA-UHFFFAOYSA-N 1 0 292.339 2.166 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCOCC3)nc2c1 ZINC000602527081 347067158 /nfs/dbraw/zinc/06/71/58/347067158.db2.gz JVJULXRYCKIWQS-UHFFFAOYSA-N 1 0 291.307 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602545816 347072009 /nfs/dbraw/zinc/07/20/09/347072009.db2.gz PZDMDOQRBVXSDT-AWEZNQCLSA-N 1 0 264.325 2.296 20 5 CEBDRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1OC ZINC000602573229 347083322 /nfs/dbraw/zinc/08/33/22/347083322.db2.gz ZGBLJITXTUIODD-VXGBXAGGSA-N 1 0 296.371 2.012 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401187231 344867101 /nfs/dbraw/zinc/86/71/01/344867101.db2.gz NEOHPNPFEQZLHR-GHMZBOCLSA-N 1 0 280.303 2.168 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407200939 344885537 /nfs/dbraw/zinc/88/55/37/344885537.db2.gz ASPGSFGXSOHZPI-QWHCGFSZSA-N 1 0 275.308 2.064 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071833 345037563 /nfs/dbraw/zinc/03/75/63/345037563.db2.gz CWJSBEJBSXFIMO-RYUDHWBXSA-N 1 0 276.340 2.053 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000589205343 345071586 /nfs/dbraw/zinc/07/15/86/345071586.db2.gz WUPXZLODQJAGGE-HNNXBMFYSA-N 1 0 296.367 2.121 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCC2)c1 ZINC000589502294 345085102 /nfs/dbraw/zinc/08/51/02/345085102.db2.gz NJGAVJWAFNNWAQ-UHFFFAOYSA-N 1 0 278.308 2.366 20 5 CEBDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355279 362532603 /nfs/dbraw/zinc/53/26/03/362532603.db2.gz QSTKKXBWKLJVEN-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589113293 345066390 /nfs/dbraw/zinc/06/63/90/345066390.db2.gz ILRDWKLHEKTYMF-SNVBAGLBSA-N 1 0 296.758 2.318 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000590053089 345111123 /nfs/dbraw/zinc/11/11/23/345111123.db2.gz XRCBINWZLMKTTK-CXFYGJIZSA-N 1 0 287.363 2.244 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000590723793 345168654 /nfs/dbraw/zinc/16/86/54/345168654.db2.gz RIESHLCBCVUHBD-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590404085 345133851 /nfs/dbraw/zinc/13/38/51/345133851.db2.gz TWRPIRFNIFECFS-BXUZGUMPSA-N 1 0 291.351 2.068 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148365 345225055 /nfs/dbraw/zinc/22/50/55/345225055.db2.gz AQYHPTQMZXHYCY-NSHDSACASA-N 1 0 296.346 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000591282658 345237083 /nfs/dbraw/zinc/23/70/83/345237083.db2.gz LEBRUVLGZVTHMW-LBPRGKRZSA-N 1 0 293.342 2.498 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000591296738 345238149 /nfs/dbraw/zinc/23/81/49/345238149.db2.gz XQIRNJUWKFFTLP-LBPRGKRZSA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000591442894 345256367 /nfs/dbraw/zinc/25/63/67/345256367.db2.gz JHSOBWQJABRHJI-ZDUSSCGKSA-N 1 0 275.352 2.421 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591436511 345253823 /nfs/dbraw/zinc/25/38/23/345253823.db2.gz BDRNUWBOBYGSKE-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccncc21 ZINC000591437363 345254354 /nfs/dbraw/zinc/25/43/54/345254354.db2.gz GQCTXLRGTKOJFK-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439438 345254877 /nfs/dbraw/zinc/25/48/77/345254877.db2.gz VBFSLHWMOIDNMO-ONGXEEELSA-N 1 0 281.743 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2c1 ZINC000591439455 345254896 /nfs/dbraw/zinc/25/48/96/345254896.db2.gz VGNBCLFKXQKBKP-NHYWBVRUSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CC[NH2+]3)CC2)c1 ZINC000591560549 345264131 /nfs/dbraw/zinc/26/41/31/345264131.db2.gz PYMUKRPOMQXHKC-UHFFFAOYSA-N 1 0 261.325 2.236 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000127382520 187301984 /nfs/dbraw/zinc/30/19/84/187301984.db2.gz IWVYRNYFRGFEJR-HNNXBMFYSA-N 1 0 293.367 2.017 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[C@H]1[NH3+] ZINC000592330914 345343187 /nfs/dbraw/zinc/34/31/87/345343187.db2.gz FIBBMBXRRSGONF-NXEZZACHSA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000127390007 187302240 /nfs/dbraw/zinc/30/22/40/187302240.db2.gz RNVFQQMQCNTJPY-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CCO ZINC000593107041 345440528 /nfs/dbraw/zinc/44/05/28/345440528.db2.gz FBISISSRIOPUJL-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000593187202 345450866 /nfs/dbraw/zinc/45/08/66/345450866.db2.gz HBRYUHRXNFKSBJ-UTUOFQBUSA-N 1 0 291.351 2.148 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593188147 345451470 /nfs/dbraw/zinc/45/14/70/345451470.db2.gz WNYUDZQCICGYJW-QJPTWQEYSA-N 1 0 291.351 2.148 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CCF)c(Cl)c1 ZINC000593685484 345520887 /nfs/dbraw/zinc/52/08/87/345520887.db2.gz IKEKDOGVZLUWLP-SECBINFHSA-N 1 0 276.695 2.058 20 5 CEBDRO CC[NH2+]CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593724900 345527969 /nfs/dbraw/zinc/52/79/69/345527969.db2.gz BANRNLUOTJEGDV-UHFFFAOYSA-N 1 0 293.367 2.122 20 5 CEBDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593724413 345528063 /nfs/dbraw/zinc/52/80/63/345528063.db2.gz VRWDRKXYAHESJY-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593924790 345552841 /nfs/dbraw/zinc/55/28/41/345552841.db2.gz POTZVEJYNYJDKW-ZJUUUORDSA-N 1 0 267.304 2.046 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593924783 345553069 /nfs/dbraw/zinc/55/30/69/345553069.db2.gz POTZVEJYNYJDKW-NXEZZACHSA-N 1 0 267.304 2.046 20 5 CEBDRO CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507502 345640259 /nfs/dbraw/zinc/64/02/59/345640259.db2.gz FNUHZHFHSXJKEI-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594594191 345654145 /nfs/dbraw/zinc/65/41/45/345654145.db2.gz KYSNHYBHGYPNHH-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921480 345702506 /nfs/dbraw/zinc/70/25/06/345702506.db2.gz BWPWKYDJINYIOA-YPMHNXCESA-N 1 0 280.324 2.131 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926849 345704967 /nfs/dbraw/zinc/70/49/67/345704967.db2.gz WATAIKZQVSVQLX-DMTCVQMQSA-N 1 0 292.335 2.443 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc3n2CCC3)c1 ZINC000594934810 345708256 /nfs/dbraw/zinc/70/82/56/345708256.db2.gz GURORBHUBHYWLZ-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO COC[C@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000594956167 345715643 /nfs/dbraw/zinc/71/56/43/345715643.db2.gz VKRRXYABJAHLFU-DYLGSBMWSA-N 1 0 294.351 2.249 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594967411 345719211 /nfs/dbraw/zinc/71/92/11/345719211.db2.gz YQSXNWOZCNHHIP-LLVKDONJSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000594976734 345720810 /nfs/dbraw/zinc/72/08/10/345720810.db2.gz QENYIPPDGCVAMX-LBPRGKRZSA-N 1 0 262.309 2.396 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000595023223 345729383 /nfs/dbraw/zinc/72/93/83/345729383.db2.gz XYDBOCKCIRYBJY-SDDRHHMPSA-N 1 0 292.335 2.191 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056539 345735896 /nfs/dbraw/zinc/73/58/96/345735896.db2.gz LLMYCZPFNJVZDY-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000595068075 345738630 /nfs/dbraw/zinc/73/86/30/345738630.db2.gz ODLMRXYGRYACGX-WDEREUQCSA-N 1 0 294.351 2.415 20 5 CEBDRO COC1CCC([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595323460 345762197 /nfs/dbraw/zinc/76/21/97/345762197.db2.gz UPERLIIMQVJMBG-UHFFFAOYSA-N 1 0 283.328 2.281 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396417 345773763 /nfs/dbraw/zinc/77/37/63/345773763.db2.gz LOOJCSANNHDBGS-GXFFZTMASA-N 1 0 282.315 2.469 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000595437447 345782839 /nfs/dbraw/zinc/78/28/39/345782839.db2.gz IARQJLAFRLPFQI-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)C1CCC1 ZINC000595457765 345788492 /nfs/dbraw/zinc/78/84/92/345788492.db2.gz DECYWXUMSGSHCF-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513529 345801678 /nfs/dbraw/zinc/80/16/78/345801678.db2.gz VMWNDYZVWJNQAI-GWCFXTLKSA-N 1 0 283.328 2.184 20 5 CEBDRO CO[C@H]1C[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595520712 345802770 /nfs/dbraw/zinc/80/27/70/345802770.db2.gz SPDOCBQKFBBSPM-NEPJUHHUSA-N 1 0 295.339 2.281 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521796 345803558 /nfs/dbraw/zinc/80/35/58/345803558.db2.gz WMWGYEWGFKVVBG-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO CCC(C)(C)[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595638617 345834256 /nfs/dbraw/zinc/83/42/56/345834256.db2.gz ISOUPXNUPPSELE-SNVBAGLBSA-N 1 0 254.334 2.206 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595759402 345869715 /nfs/dbraw/zinc/86/97/15/345869715.db2.gz PQLSVIRLFNZJEB-IUODEOHRSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@H](O)[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595767852 345871828 /nfs/dbraw/zinc/87/18/28/345871828.db2.gz DKNPWZUCFDUIBW-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595874395 345904104 /nfs/dbraw/zinc/90/41/04/345904104.db2.gz ODXOSJDFSGXGFY-IUODEOHRSA-N 1 0 278.352 2.088 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595931416 345914466 /nfs/dbraw/zinc/91/44/66/345914466.db2.gz WYXYMGOZFSMVTQ-CMPLNLGQSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934089 345914651 /nfs/dbraw/zinc/91/46/51/345914651.db2.gz JSYPOZUKCICQSS-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595980379 345920525 /nfs/dbraw/zinc/92/05/25/345920525.db2.gz HCIAYNVIKZYNHL-SNVBAGLBSA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000097439183 185603983 /nfs/dbraw/zinc/60/39/83/185603983.db2.gz QNIRAFIUCLGWBZ-SNVBAGLBSA-N 1 0 252.314 2.011 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H]([NH3+])C(C)C ZINC000596102298 345939904 /nfs/dbraw/zinc/93/99/04/345939904.db2.gz HFNYXOBWNATTMC-CQSZACIVSA-N 1 0 295.383 2.457 20 5 CEBDRO C[NH2+]C[C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000596106377 345941377 /nfs/dbraw/zinc/94/13/77/345941377.db2.gz PTHZWIJACYQCKH-NSHDSACASA-N 1 0 265.357 2.416 20 5 CEBDRO CC[N@@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596118982 345943902 /nfs/dbraw/zinc/94/39/02/345943902.db2.gz IUZCXYUMDHDKRJ-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596237102 345976905 /nfs/dbraw/zinc/97/69/05/345976905.db2.gz PYDIHSNSFHTWOG-SNVBAGLBSA-N 1 0 282.344 2.228 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000596244828 345979164 /nfs/dbraw/zinc/97/91/64/345979164.db2.gz SYMGOBPORCZGFF-NWDGAFQWSA-N 1 0 263.341 2.432 20 5 CEBDRO C[NH+](C)CC1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596246189 345979493 /nfs/dbraw/zinc/97/94/93/345979493.db2.gz CGUIQDNNKJBNAG-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)CC12CCCCC2 ZINC000596251730 345981230 /nfs/dbraw/zinc/98/12/30/345981230.db2.gz XSQUPIRWMSJXEJ-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])s1 ZINC000596259737 345983286 /nfs/dbraw/zinc/98/32/86/345983286.db2.gz VSQOOAFDYRNSSN-NSHDSACASA-N 1 0 299.396 2.223 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000128317379 187363834 /nfs/dbraw/zinc/36/38/34/187363834.db2.gz XJFPWLUNDAAQIA-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597206160 346148118 /nfs/dbraw/zinc/14/81/18/346148118.db2.gz QUWCTHUSCFAYBO-RYUDHWBXSA-N 1 0 278.352 2.352 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236278 346157502 /nfs/dbraw/zinc/15/75/02/346157502.db2.gz PCZROVKOVUVQNR-SWLSCSKDSA-N 1 0 278.352 2.354 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597245284 346160644 /nfs/dbraw/zinc/16/06/44/346160644.db2.gz ZVWXAZJHFXDODF-SKTRJTJASA-N 1 0 290.319 2.149 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368280 179037960 /nfs/dbraw/zinc/03/79/60/179037960.db2.gz MKFJQEYKPWGBOV-CHWSQXEVSA-N 1 0 291.351 2.071 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598680428 346399373 /nfs/dbraw/zinc/39/93/73/346399373.db2.gz BQLZEUPGIVIGGS-KYOSRNDESA-N 1 0 275.352 2.469 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598680430 346399592 /nfs/dbraw/zinc/39/95/92/346399592.db2.gz BQLZEUPGIVIGGS-UXIGCNINSA-N 1 0 275.352 2.469 20 5 CEBDRO CC[C@@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889697 362729510 /nfs/dbraw/zinc/72/95/10/362729510.db2.gz RJEHXVXJQJDWAH-CQSZACIVSA-N 1 0 277.324 2.231 20 5 CEBDRO C/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000599005733 346445280 /nfs/dbraw/zinc/44/52/80/346445280.db2.gz QCQVQVWHFXMFDC-SNAWJCMRSA-N 1 0 266.297 2.278 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913556 346433485 /nfs/dbraw/zinc/43/34/85/346433485.db2.gz MDIXQMYXYYSWNF-UHFFFAOYSA-N 1 0 298.318 2.183 20 5 CEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914527 346433505 /nfs/dbraw/zinc/43/35/05/346433505.db2.gz GXILWUBVVREBOZ-MRVPVSSYSA-N 1 0 298.730 2.203 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000598995463 346444077 /nfs/dbraw/zinc/44/40/77/346444077.db2.gz YALQUXRACMPNGO-NSHDSACASA-N 1 0 283.397 2.478 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000599067297 346455046 /nfs/dbraw/zinc/45/50/46/346455046.db2.gz YZRODXFVMQWABU-CQDKDKBSSA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H]1C ZINC000600681435 346672461 /nfs/dbraw/zinc/67/24/61/346672461.db2.gz HQRCQXQUBQEMKH-SGMGOOAPSA-N 1 0 277.368 2.256 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000600887693 346704456 /nfs/dbraw/zinc/70/44/56/346704456.db2.gz RKMNXCHBTVINAW-NWDGAFQWSA-N 1 0 291.351 2.182 20 5 CEBDRO Cc1c([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000600712908 346676055 /nfs/dbraw/zinc/67/60/55/346676055.db2.gz CSURMEHXDBIZRP-NTZNESFSSA-N 1 0 263.341 2.304 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000600714123 346676672 /nfs/dbraw/zinc/67/66/72/346676672.db2.gz PJKKQXCVXNQZSC-CQSZACIVSA-N 1 0 281.331 2.164 20 5 CEBDRO C[NH+](C)CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000600783938 346690031 /nfs/dbraw/zinc/69/00/31/346690031.db2.gz IDSBEUQDPZJQAP-UHFFFAOYSA-N 1 0 286.335 2.052 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000601188726 346781481 /nfs/dbraw/zinc/78/14/81/346781481.db2.gz MFNSWEXPFYHUFB-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC([NH+]2CCCC2)C1 ZINC000601193590 346782984 /nfs/dbraw/zinc/78/29/84/346782984.db2.gz LUMHRCMRRBBOGE-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cn1cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602646471 347121905 /nfs/dbraw/zinc/12/19/05/347121905.db2.gz ZDRRYTVYDPXIDG-NSHDSACASA-N 1 0 266.345 2.339 20 5 CEBDRO COCC[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602693780 347152234 /nfs/dbraw/zinc/15/22/34/347152234.db2.gz GZKKHUONIGJGSZ-GFCCVEGCSA-N 1 0 266.341 2.400 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000602718307 347168228 /nfs/dbraw/zinc/16/82/28/347168228.db2.gz VISJYYNRXWEYLX-MGCOHNPYSA-N 1 0 290.241 2.227 20 5 CEBDRO Cn1cc(C[NH+]2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000602666291 347132310 /nfs/dbraw/zinc/13/23/10/347132310.db2.gz GQNKMSJXZFHWBV-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000602781999 347196381 /nfs/dbraw/zinc/19/63/81/347196381.db2.gz LBYGVIWCGYQAAA-ZDUSSCGKSA-N 1 0 280.372 2.468 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738201 347180087 /nfs/dbraw/zinc/18/00/87/347180087.db2.gz AKKAVHVTSPKTRW-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602930308 347250515 /nfs/dbraw/zinc/25/05/15/347250515.db2.gz DAIPSGYENGEHJS-RISCZKNCSA-N 1 0 278.352 2.496 20 5 CEBDRO Cn1cc(CN2CCSC[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602844117 347221927 /nfs/dbraw/zinc/22/19/27/347221927.db2.gz AJQIKRJCAUIAHH-LBPRGKRZSA-N 1 0 296.396 2.046 20 5 CEBDRO Cn1cc(C[N@@H+]2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602850633 347224326 /nfs/dbraw/zinc/22/43/26/347224326.db2.gz QBVGFIWJIJKRSV-ZDUSSCGKSA-N 1 0 278.356 2.483 20 5 CEBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602882353 347237355 /nfs/dbraw/zinc/23/73/55/347237355.db2.gz BXISSHIOZJALFI-IINYFYTJSA-N 1 0 286.335 2.146 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602981334 347265175 /nfs/dbraw/zinc/26/51/75/347265175.db2.gz BQJBABXGEROTCK-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO CC[NH+](CC)CCCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000603326167 347338806 /nfs/dbraw/zinc/33/88/06/347338806.db2.gz LZSVLHAZUMGWMB-UHFFFAOYSA-N 1 0 291.355 2.380 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(CCCC[NH3+])nn1 ZINC000603186811 347303350 /nfs/dbraw/zinc/30/33/50/347303350.db2.gz WAZYFBRIMJDAAC-LLVKDONJSA-N 1 0 289.339 2.077 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220940 347313407 /nfs/dbraw/zinc/31/34/07/347313407.db2.gz XSCNVRISBZTMCQ-QMTHXVAHSA-N 1 0 289.339 2.451 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603222670 347313834 /nfs/dbraw/zinc/31/38/34/347313834.db2.gz BFDBRIGCDVVXHN-CYBMUJFWSA-N 1 0 293.302 2.030 20 5 CEBDRO Cc1cc(NC[C@@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418190 347365192 /nfs/dbraw/zinc/36/51/92/347365192.db2.gz CQNNMXUQMCTDFT-LLVKDONJSA-N 1 0 267.354 2.020 20 5 CEBDRO CC[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603854264 347392176 /nfs/dbraw/zinc/39/21/76/347392176.db2.gz ZAGBXTXCJJXGNK-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000129654290 365882995 /nfs/dbraw/zinc/88/29/95/365882995.db2.gz XGYASAUXALFXDW-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875588 347654515 /nfs/dbraw/zinc/65/45/15/347654515.db2.gz YDBBEEITMJYYTI-LLVKDONJSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538853 347690149 /nfs/dbraw/zinc/69/01/49/347690149.db2.gz WUUJDIBFBAPILB-LLVKDONJSA-N 1 0 291.351 2.304 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610605336 347695966 /nfs/dbraw/zinc/69/59/66/347695966.db2.gz YKVBTBUAGRAOML-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO CN1CC[NH+](CCCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611411452 347775291 /nfs/dbraw/zinc/77/52/91/347775291.db2.gz AQWOZZMDAOLPLD-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO C[N@H+]1CC=C(CNc2sccc2[N+](=O)[O-])CC1 ZINC000611415485 347777033 /nfs/dbraw/zinc/77/70/33/347777033.db2.gz NXXCNKRJBRBBDN-UHFFFAOYSA-N 1 0 253.327 2.330 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611084818 347737879 /nfs/dbraw/zinc/73/78/79/347737879.db2.gz XHPOPLMZOLEZEN-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000611616053 347799180 /nfs/dbraw/zinc/79/91/80/347799180.db2.gz MVLAPCKEHISDIY-LBPRGKRZSA-N 1 0 278.356 2.359 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000611617140 347799596 /nfs/dbraw/zinc/79/95/96/347799596.db2.gz JNGVUJFVDMWWBE-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1cncn1 ZINC000611472612 347783438 /nfs/dbraw/zinc/78/34/38/347783438.db2.gz TYDMRKYKSBJXDG-LBPRGKRZSA-N 1 0 289.339 2.236 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000611515899 347788977 /nfs/dbraw/zinc/78/89/77/347788977.db2.gz QTNFZTRFXHWCFA-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1c(NC(=O)CC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517538 347789217 /nfs/dbraw/zinc/78/92/17/347789217.db2.gz MRHJAYFKEQKIBS-UHFFFAOYSA-N 1 0 289.335 2.494 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000351917777 219247834 /nfs/dbraw/zinc/24/78/34/219247834.db2.gz RCYWGOILWJLMTC-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000339430865 215163547 /nfs/dbraw/zinc/16/35/47/215163547.db2.gz CGDNBSQIWPMJCN-CQSZACIVSA-N 1 0 293.367 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000615034177 348270127 /nfs/dbraw/zinc/27/01/27/348270127.db2.gz CSYDGRJTTRUGEO-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000066996079 362899345 /nfs/dbraw/zinc/89/93/45/362899345.db2.gz KNUBIYUTWYOQIF-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO COc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496348 348336452 /nfs/dbraw/zinc/33/64/52/348336452.db2.gz YMXFBFBAZNXQDA-GHMZBOCLSA-N 1 0 279.340 2.132 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000088060434 179543490 /nfs/dbraw/zinc/54/34/90/179543490.db2.gz ILQTYYPSSSIZSU-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000128935750 187399937 /nfs/dbraw/zinc/39/99/37/187399937.db2.gz YRCLGYSYAVDORA-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357901504 233167021 /nfs/dbraw/zinc/16/70/21/233167021.db2.gz DLCBMZZYZMBVKR-NSHDSACASA-N 1 0 252.318 2.056 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000619726641 349230721 /nfs/dbraw/zinc/23/07/21/349230721.db2.gz ZIVWIPGZVVLJLD-UHFFFAOYSA-N 1 0 276.336 2.453 20 5 CEBDRO CCc1nn(C)c(NCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000091561847 180192176 /nfs/dbraw/zinc/19/21/76/180192176.db2.gz KDYQBZKBFAWBQK-UHFFFAOYSA-N 1 0 283.376 2.035 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186269 219349400 /nfs/dbraw/zinc/34/94/00/219349400.db2.gz KNNMDMCLUPCHKI-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000352194935 219355646 /nfs/dbraw/zinc/35/56/46/219355646.db2.gz MRFVWZCXXIFXNF-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO COc1ccc(C[N@@H+](C)C2CC(OC)C2)cc1[N+](=O)[O-] ZINC000352220762 219369851 /nfs/dbraw/zinc/36/98/51/219369851.db2.gz JOOPCEFPWNUOQA-UHFFFAOYSA-N 1 0 280.324 2.213 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110646297 186308312 /nfs/dbraw/zinc/30/83/12/186308312.db2.gz ZFIYLBOCUJHYMN-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000110792209 186325568 /nfs/dbraw/zinc/32/55/68/186325568.db2.gz IHJXMQXXKTYAMZ-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076489 363028576 /nfs/dbraw/zinc/02/85/76/363028576.db2.gz MRLXEDMPQVCRAJ-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000070076490 363028897 /nfs/dbraw/zinc/02/88/97/363028897.db2.gz MRLXEDMPQVCRAJ-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000339813416 215348034 /nfs/dbraw/zinc/34/80/34/215348034.db2.gz GBYLTYIEIIEONE-UHFFFAOYSA-N 1 0 296.286 2.173 20 5 CEBDRO [NH3+]CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000070187923 363051249 /nfs/dbraw/zinc/05/12/49/363051249.db2.gz OMAXQCGPHPWRKY-UHFFFAOYSA-N 1 0 292.339 2.188 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123854783 187111463 /nfs/dbraw/zinc/11/14/63/187111463.db2.gz LUCUBHYUGJTRNC-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458977 191149856 /nfs/dbraw/zinc/14/98/56/191149856.db2.gz FSIAPDURRFKWCE-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000072721716 363162048 /nfs/dbraw/zinc/16/20/48/363162048.db2.gz QXBQWTMYFPZCIN-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494281092 290966870 /nfs/dbraw/zinc/96/68/70/290966870.db2.gz BKYUHJCXCOZOEX-SMDDNHRTSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000292192648 198196112 /nfs/dbraw/zinc/19/61/12/198196112.db2.gz XQHRGXOCGDYYJX-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000292212354 198204104 /nfs/dbraw/zinc/20/41/04/198204104.db2.gz UFPNPAJTKBCGSJ-ZDUSSCGKSA-N 1 0 281.381 2.184 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000152193781 188001462 /nfs/dbraw/zinc/00/14/62/188001462.db2.gz WAHVAWNUADEGLC-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154134481 188125186 /nfs/dbraw/zinc/12/51/86/188125186.db2.gz VEYZDFSFZGTODM-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+](C1CCC1)C1CCC1 ZINC000292400637 198273441 /nfs/dbraw/zinc/27/34/41/198273441.db2.gz LGUYVSUPSJXBAL-UHFFFAOYSA-N 1 0 291.351 2.164 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295169134 199383855 /nfs/dbraw/zinc/38/38/55/199383855.db2.gz FUNCNZQLOVTCOF-VIFPVBQESA-N 1 0 293.348 2.277 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCn2ccnc2)cccc1[N+](=O)[O-] ZINC000155690834 188221223 /nfs/dbraw/zinc/22/12/23/188221223.db2.gz FCSRQGDHJDXDEW-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO CSc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000157214911 188304228 /nfs/dbraw/zinc/30/42/28/188304228.db2.gz BQOZLMJHCWDLDX-SNVBAGLBSA-N 1 0 297.380 2.030 20 5 CEBDRO CNC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000074334012 363327009 /nfs/dbraw/zinc/32/70/09/363327009.db2.gz DJXLZORSXPLWDI-UHFFFAOYSA-N 1 0 299.330 2.244 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743054 299216349 /nfs/dbraw/zinc/21/63/49/299216349.db2.gz FNJKJTHCRVLLFE-RISCZKNCSA-N 1 0 286.335 2.457 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1F ZINC000271750270 191305440 /nfs/dbraw/zinc/30/54/40/191305440.db2.gz KKIBFRYDGLFOEG-VIFPVBQESA-N 1 0 296.277 2.420 20 5 CEBDRO Cc1sc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000272973946 192002799 /nfs/dbraw/zinc/00/27/99/192002799.db2.gz IASKZXKMYVHLCJ-CYBMUJFWSA-N 1 0 297.380 2.084 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](COc2cccnc2[N+](=O)[O-])CC1 ZINC000577390620 314372861 /nfs/dbraw/zinc/37/28/61/314372861.db2.gz ACDCAMOYZPELNI-XYPYZODXSA-N 1 0 265.313 2.134 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452007961 283159812 /nfs/dbraw/zinc/15/98/12/283159812.db2.gz OCXFAFCXWAYHFC-NSHDSACASA-N 1 0 279.340 2.019 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134445200 366324261 /nfs/dbraw/zinc/32/42/61/366324261.db2.gz STTAXEBHAGVCTP-GXSJLCMTSA-N 1 0 250.298 2.349 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000134445175 366325140 /nfs/dbraw/zinc/32/51/40/366325140.db2.gz STTAXEBHAGVCTP-MWLCHTKSSA-N 1 0 250.298 2.349 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338429378 366355299 /nfs/dbraw/zinc/35/52/99/366355299.db2.gz HEGSBJAQVPSCRX-UHFFFAOYSA-N 1 0 280.328 2.057 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000575854705 366366526 /nfs/dbraw/zinc/36/65/26/366366526.db2.gz GKAFAFGVNWHQBE-ZDUSSCGKSA-N 1 0 296.758 2.223 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338481565 366378045 /nfs/dbraw/zinc/37/80/45/366378045.db2.gz ZFBAWFWRTMMJHL-ZDUSSCGKSA-N 1 0 291.351 2.050 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570570575 299265426 /nfs/dbraw/zinc/26/54/26/299265426.db2.gz WAEWQUQBFMBKMS-OAHLLOKOSA-N 1 0 275.352 2.170 20 5 CEBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294713170 199147528 /nfs/dbraw/zinc/14/75/28/199147528.db2.gz JRTRLEVTKDZLCN-MNOVXSKESA-N 1 0 281.356 2.236 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1[NH+](C)C ZINC000340879175 215746860 /nfs/dbraw/zinc/74/68/60/215746860.db2.gz TYYTYEXJUPAMNE-MNOVXSKESA-N 1 0 281.360 2.014 20 5 CEBDRO Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294752156 199166778 /nfs/dbraw/zinc/16/67/78/199166778.db2.gz DFNQQLKJGQPPJA-ZDUSSCGKSA-N 1 0 291.351 2.165 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135256464 366415723 /nfs/dbraw/zinc/41/57/23/366415723.db2.gz NQCFFZIFJHTTMN-SNVBAGLBSA-N 1 0 270.716 2.469 20 5 CEBDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000094259807 299279212 /nfs/dbraw/zinc/27/92/12/299279212.db2.gz YGDCWGWGHJRYTC-JTQLQIEISA-N 1 0 250.298 2.282 20 5 CEBDRO CCOCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025771 366433101 /nfs/dbraw/zinc/43/31/01/366433101.db2.gz CPLGLAYMOWJHGO-LBPRGKRZSA-N 1 0 250.298 2.208 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415581224 236683241 /nfs/dbraw/zinc/68/32/41/236683241.db2.gz NDEHPJGWVUWIJB-VHSXEESVSA-N 1 0 280.328 2.069 20 5 CEBDRO CC[C@@H]1CN(CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706196 366481755 /nfs/dbraw/zinc/48/17/55/366481755.db2.gz HRZULYOPIFRKKS-CYBMUJFWSA-N 1 0 293.367 2.426 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000338767419 366512017 /nfs/dbraw/zinc/51/20/17/366512017.db2.gz CSBONWGGPMEYKM-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000136164558 366500599 /nfs/dbraw/zinc/50/05/99/366500599.db2.gz AWTPEDVYAMLEAQ-ABAIWWIYSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890096 366528606 /nfs/dbraw/zinc/52/86/06/366528606.db2.gz VEEJPWXJLXZWLH-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296520288 199918202 /nfs/dbraw/zinc/91/82/02/199918202.db2.gz PXFXNLWSXFPSOQ-MNOVXSKESA-N 1 0 281.356 2.236 20 5 CEBDRO CN(CC[NH+](C)C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000297600480 200238387 /nfs/dbraw/zinc/23/83/87/200238387.db2.gz UUPPYDAQDXZXRI-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000081181400 363704544 /nfs/dbraw/zinc/70/45/44/363704544.db2.gz ZGQCPAVBEMFPRM-FZMZJTMJSA-N 1 0 291.351 2.255 20 5 CEBDRO Cc1nc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150902939 366604381 /nfs/dbraw/zinc/60/43/81/366604381.db2.gz GSJCGHQFAMUTLV-ZYHUDNBSSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220450 366630655 /nfs/dbraw/zinc/63/06/55/366630655.db2.gz OUDJSICTZXCZRV-KWQFWETISA-N 1 0 292.257 2.477 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571523797 299313744 /nfs/dbraw/zinc/31/37/44/299313744.db2.gz OSBQTFXPGSGMHD-GHMZBOCLSA-N 1 0 294.355 2.459 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236980889 370671009 /nfs/dbraw/zinc/67/10/09/370671009.db2.gz RJEGIFBLXKWDTE-CMPLNLGQSA-N 1 0 279.340 2.208 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000179848599 189223483 /nfs/dbraw/zinc/22/34/83/189223483.db2.gz KQCZTXKXCLPPHZ-GFCCVEGCSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH+]1C ZINC000339623155 366710874 /nfs/dbraw/zinc/71/08/74/366710874.db2.gz XILIECGNXRIABH-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000181560201 189300611 /nfs/dbraw/zinc/30/06/11/189300611.db2.gz QKWCJUYTHZNGLH-ZDUSSCGKSA-N 1 0 264.325 2.418 20 5 CEBDRO Nc1ncccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579918187 366721588 /nfs/dbraw/zinc/72/15/88/366721588.db2.gz LZASIYJKQFGRKH-UHFFFAOYSA-N 1 0 284.319 2.130 20 5 CEBDRO CC1(C)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181738362 189305648 /nfs/dbraw/zinc/30/56/48/189305648.db2.gz XDAVZYNKGWXHQX-LBPRGKRZSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000237155007 370694774 /nfs/dbraw/zinc/69/47/74/370694774.db2.gz KQWNLBOZFKZQRA-GFCCVEGCSA-N 1 0 293.367 2.187 20 5 CEBDRO COCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430961 363772846 /nfs/dbraw/zinc/77/28/46/363772846.db2.gz LTNTVPCWSLDVHQ-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342323503 216311697 /nfs/dbraw/zinc/31/16/97/216311697.db2.gz HTWVYRIMUGMRFT-GARJFASQSA-N 1 0 252.314 2.323 20 5 CEBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301551216 201064904 /nfs/dbraw/zinc/06/49/04/201064904.db2.gz QQSNCZHJDGXURE-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339242 366769131 /nfs/dbraw/zinc/76/91/31/366769131.db2.gz OHAWVBNLFIYANM-OPQQBVKSSA-N 1 0 284.381 2.358 20 5 CEBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCCCC1 ZINC000183166165 189348439 /nfs/dbraw/zinc/34/84/39/189348439.db2.gz NAUYUOBWBNILJE-LLVKDONJSA-N 1 0 295.339 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000020049616 361576342 /nfs/dbraw/zinc/57/63/42/361576342.db2.gz RLAUWZZDXJGFBD-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C)cc1[N+](=O)[O-] ZINC000020083677 361577367 /nfs/dbraw/zinc/57/73/67/361577367.db2.gz QDYADAAIGVCOFR-NSHDSACASA-N 1 0 251.330 2.115 20 5 CEBDRO COc1cc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184787316 189396098 /nfs/dbraw/zinc/39/60/98/189396098.db2.gz DWMFOXPJGOGXDF-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1sc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000026189192 361637329 /nfs/dbraw/zinc/63/73/29/361637329.db2.gz PDKIGLQXYGMTQJ-UHFFFAOYSA-N 1 0 297.380 2.180 20 5 CEBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000301917842 201262614 /nfs/dbraw/zinc/26/26/14/201262614.db2.gz AZCWYKPWFGGVHB-SNVBAGLBSA-N 1 0 255.343 2.408 20 5 CEBDRO C[NH+]1CCC(CNc2sccc2[N+](=O)[O-])CC1 ZINC000301976882 201285435 /nfs/dbraw/zinc/28/54/35/201285435.db2.gz CXMGDRZVQAHFTO-UHFFFAOYSA-N 1 0 255.343 2.410 20 5 CEBDRO CC[NH+]1CCN(CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000301999433 201292226 /nfs/dbraw/zinc/29/22/26/201292226.db2.gz RBYRZNOOIZYKEK-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO C[C@@H](c1ccco1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090520566 364061923 /nfs/dbraw/zinc/06/19/23/364061923.db2.gz VWQQJTFHYQOIEX-NSHDSACASA-N 1 0 291.307 2.043 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188850236 189515316 /nfs/dbraw/zinc/51/53/16/189515316.db2.gz SQDYMKBYJHFPAS-SMDDNHRTSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097441331 364500807 /nfs/dbraw/zinc/50/08/07/364500807.db2.gz HRDLJXKVBGJXFS-SECBINFHSA-N 1 0 272.732 2.356 20 5 CEBDRO COCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112355772 364798338 /nfs/dbraw/zinc/79/83/38/364798338.db2.gz JEXWFMGPYFOOPB-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000112309572 364789694 /nfs/dbraw/zinc/78/96/94/364789694.db2.gz AHKQHMUISGDAAD-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CC[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000115572976 365015291 /nfs/dbraw/zinc/01/52/91/365015291.db2.gz HTTKIKGPPPBBMV-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO COCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116886358 365077871 /nfs/dbraw/zinc/07/78/71/365077871.db2.gz ACCRMVRHMQVMMG-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537197 193070193 /nfs/dbraw/zinc/07/01/93/193070193.db2.gz YCIAWRRZSNSAAN-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO CCOC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000159177152 366885626 /nfs/dbraw/zinc/88/56/26/366885626.db2.gz AOCCFNKOOYBPTD-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO Cc1c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000572384199 299363115 /nfs/dbraw/zinc/36/31/15/299363115.db2.gz IOYYAFNWAPVOAD-OKILXGFUSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000160618562 367022212 /nfs/dbraw/zinc/02/22/12/367022212.db2.gz KUZLTLQMVNETPD-SNVBAGLBSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000583131864 367004578 /nfs/dbraw/zinc/00/45/78/367004578.db2.gz YVXABOZRBQKGHU-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1nc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161498267 367091957 /nfs/dbraw/zinc/09/19/57/367091957.db2.gz URFIEBRHMHNCQZ-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO Cc1nc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000161526623 367093508 /nfs/dbraw/zinc/09/35/08/367093508.db2.gz ANNABHYOYQGSAT-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161727348 367108653 /nfs/dbraw/zinc/10/86/53/367108653.db2.gz QQSUSVUPKJZBDQ-VHSXEESVSA-N 1 0 284.743 2.451 20 5 CEBDRO CC[NH+](CC)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000584559441 367173060 /nfs/dbraw/zinc/17/30/60/367173060.db2.gz QRKWXVORXIXALN-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597922469 367209703 /nfs/dbraw/zinc/20/97/03/367209703.db2.gz DCZQHXMXPNGCFJ-LBPRGKRZSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1ccc(C[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341260832 367253024 /nfs/dbraw/zinc/25/30/24/367253024.db2.gz CQFQVASMRVCICW-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343425706 367806963 /nfs/dbraw/zinc/80/69/63/367806963.db2.gz FBBUHQBDHPWUBA-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343520127 367859132 /nfs/dbraw/zinc/85/91/32/367859132.db2.gz LFTFQYMAEVCEEY-SMDDNHRTSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1C ZINC000173986610 367968642 /nfs/dbraw/zinc/96/86/42/367968642.db2.gz UMVSTAGFFTWGDQ-QWRGUYRKSA-N 1 0 277.324 2.406 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174496818 368030293 /nfs/dbraw/zinc/03/02/93/368030293.db2.gz UVSULHMUUUEGDL-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO CCOc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000174915171 368077886 /nfs/dbraw/zinc/07/78/86/368077886.db2.gz XBXZHAZLGHYZRM-CYBMUJFWSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@H](Nc1ccc([N+](=O)[O-])nc1)C(C)(C)C[NH+](C)C ZINC000345644221 368357013 /nfs/dbraw/zinc/35/70/13/368357013.db2.gz RZTNHCWRKUTUBH-JTQLQIEISA-N 1 0 266.345 2.378 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602355 299389201 /nfs/dbraw/zinc/38/92/01/299389201.db2.gz VRTHLVWJKIQDII-TVQRCGJNSA-N 1 0 279.340 2.395 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504167 284068550 /nfs/dbraw/zinc/06/85/50/284068550.db2.gz BGEIIVVTIJYKBB-GHMZBOCLSA-N 1 0 278.308 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338683 368642520 /nfs/dbraw/zinc/64/25/20/368642520.db2.gz RTZLZVDSFJFWJQ-PAPZTLJPSA-N 1 0 288.347 2.311 20 5 CEBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346649341 368751401 /nfs/dbraw/zinc/75/14/01/368751401.db2.gz NVZAUIQCIFNNBV-LBPRGKRZSA-N 1 0 287.319 2.388 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)C[NH3+] ZINC000346652533 368753051 /nfs/dbraw/zinc/75/30/51/368753051.db2.gz HIVJYQGNDKQQNI-UHFFFAOYSA-N 1 0 295.383 2.410 20 5 CEBDRO Cc1ccc(CN(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346656505 368756019 /nfs/dbraw/zinc/75/60/19/368756019.db2.gz GEONPYLXXXZSCY-UHFFFAOYSA-N 1 0 265.357 2.320 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000185324118 368787277 /nfs/dbraw/zinc/78/72/77/368787277.db2.gz RYGOAJPBAXFBEU-AWEZNQCLSA-N 1 0 266.341 2.434 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348161421 368927644 /nfs/dbraw/zinc/92/76/44/368927644.db2.gz NDDXXCWYESRASM-SMDDNHRTSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187415783 369155954 /nfs/dbraw/zinc/15/59/54/369155954.db2.gz STNMFZFELGQREV-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+](C)C ZINC000348933665 369203069 /nfs/dbraw/zinc/20/30/69/369203069.db2.gz JQHAKUJCHNYWOD-RAXLEYEMSA-N 1 0 277.368 2.492 20 5 CEBDRO CCC[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000226252004 189770395 /nfs/dbraw/zinc/77/03/95/189770395.db2.gz XLASMBIUMWRFKF-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO CCC[C@@H]([NH2+]CCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000227502931 189785468 /nfs/dbraw/zinc/78/54/68/189785468.db2.gz YHESHMAAQOZILT-OAHLLOKOSA-N 1 0 296.367 2.425 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188675101 369392793 /nfs/dbraw/zinc/39/27/93/369392793.db2.gz UZXMKNILVXDZAJ-UONOGXRCSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000350087082 369501759 /nfs/dbraw/zinc/50/17/59/369501759.db2.gz DCGHCVMGTNLEDS-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189630467 369549008 /nfs/dbraw/zinc/54/90/08/369549008.db2.gz VTOUTWKRVRPYLN-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000189680489 369558973 /nfs/dbraw/zinc/55/89/73/369558973.db2.gz IEZQNUAFNGFIHN-UHFFFAOYSA-N 1 0 258.347 2.051 20 5 CEBDRO C[N@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276282171 193270531 /nfs/dbraw/zinc/27/05/31/193270531.db2.gz GAEMKTIRZZEYKC-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000190289692 369611702 /nfs/dbraw/zinc/61/17/02/369611702.db2.gz HHLPDEBEMRNURJ-UHFFFAOYSA-N 1 0 296.327 2.281 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191284785 369698091 /nfs/dbraw/zinc/69/80/91/369698091.db2.gz LETHTTKMEPVOJE-RYUDHWBXSA-N 1 0 294.351 2.207 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192015281 369764357 /nfs/dbraw/zinc/76/43/57/369764357.db2.gz MLKRJIHTQKFBGO-NWDGAFQWSA-N 1 0 293.367 2.315 20 5 CEBDRO CCOCCOCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000191570499 369724697 /nfs/dbraw/zinc/72/46/97/369724697.db2.gz NVTLAEBQRXYQHL-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000352695694 369841719 /nfs/dbraw/zinc/84/17/19/369841719.db2.gz ZTOCNBAVCYZOMV-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192249744 369785589 /nfs/dbraw/zinc/78/55/89/369785589.db2.gz XMZYPKRXRNJLMO-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO C[C@H](O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571192 369790452 /nfs/dbraw/zinc/79/04/52/369790452.db2.gz RHCVTJCIWUAQKU-LBPRGKRZSA-N 1 0 266.341 2.230 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000352791826 369879338 /nfs/dbraw/zinc/87/93/38/369879338.db2.gz JFLUUHBCBCISKJ-BXKDBHETSA-N 1 0 282.365 2.445 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000352695692 369842332 /nfs/dbraw/zinc/84/23/32/369842332.db2.gz ZTOCNBAVCYZOMV-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000193502105 369949158 /nfs/dbraw/zinc/94/91/58/369949158.db2.gz OZWKUIUUUSPTOT-NWDGAFQWSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280385 369917499 /nfs/dbraw/zinc/91/74/99/369917499.db2.gz XGLVGDKKHRWUMV-NOPHNCEQSA-N 1 0 296.392 2.329 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000352894885 369938360 /nfs/dbraw/zinc/93/83/60/369938360.db2.gz UFKYPZWZDSTWIL-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000352894883 369939058 /nfs/dbraw/zinc/93/90/58/369939058.db2.gz UFKYPZWZDSTWIL-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352895985 369939063 /nfs/dbraw/zinc/93/90/63/369939063.db2.gz WTNJCUWTGZDVPE-CYBMUJFWSA-N 1 0 288.294 2.370 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353039670 369997599 /nfs/dbraw/zinc/99/75/99/369997599.db2.gz QZNAJGXAGLGADK-DGCLKSJQSA-N 1 0 264.325 2.357 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194604514 370057258 /nfs/dbraw/zinc/05/72/58/370057258.db2.gz HLYXXXICUNYRMG-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194791061 370074302 /nfs/dbraw/zinc/07/43/02/370074302.db2.gz ZVNVEOHFIFFDKM-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+](C)C(C)C ZINC000221016667 370235244 /nfs/dbraw/zinc/23/52/44/370235244.db2.gz HIDPQLIWIWHKHO-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H](O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000225791589 370319505 /nfs/dbraw/zinc/31/95/05/370319505.db2.gz NQWXQJPKGSNLSB-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977398 370416584 /nfs/dbraw/zinc/41/65/84/370416584.db2.gz WUFKVRIGBOCUEM-NWDGAFQWSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@@H](CO)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230157907 370442500 /nfs/dbraw/zinc/44/25/00/370442500.db2.gz IZUNMEOCHYGMSA-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000230348874 370453623 /nfs/dbraw/zinc/45/36/23/370453623.db2.gz UPWRWDIIHCAPFM-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000230377426 370458448 /nfs/dbraw/zinc/45/84/48/370458448.db2.gz RIAKYEWZSSPVET-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000230640043 370461167 /nfs/dbraw/zinc/46/11/67/370461167.db2.gz OWOQMWPDXBDZSD-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884734 370497449 /nfs/dbraw/zinc/49/74/49/370497449.db2.gz ULFZLAURGYDQFL-MNOVXSKESA-N 1 0 252.314 2.416 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000235741250 370576896 /nfs/dbraw/zinc/57/68/96/370576896.db2.gz AAEHZEUKPDSEAG-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249604597 371345549 /nfs/dbraw/zinc/34/55/49/371345549.db2.gz ZHRZNULIVJGQAV-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250458192 371384878 /nfs/dbraw/zinc/38/48/78/371384878.db2.gz TWPXFLLOOPDRBN-RYUDHWBXSA-N 1 0 293.371 2.158 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000261554035 371644031 /nfs/dbraw/zinc/64/40/31/371644031.db2.gz AOPBMJIILLVKEA-UFBFGSQYSA-N 1 0 269.732 2.170 20 5 CEBDRO CCC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000261710591 371708956 /nfs/dbraw/zinc/70/89/56/371708956.db2.gz VGQLJVFNTKVCHP-UHFFFAOYSA-N 1 0 291.307 2.070 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH2+]C)C1 ZINC000261791273 371733699 /nfs/dbraw/zinc/73/36/99/371733699.db2.gz QKIWMTDMNQJPMW-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644121 371690452 /nfs/dbraw/zinc/69/04/52/371690452.db2.gz CQEOPOHMBBPQQP-GHMZBOCLSA-N 1 0 281.331 2.293 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000361471547 371864823 /nfs/dbraw/zinc/86/48/23/371864823.db2.gz SDVWSMHYBYCGPM-NSHDSACASA-N 1 0 266.345 2.302 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC1CC1)CC1CCC1 ZINC000361554853 371918233 /nfs/dbraw/zinc/91/82/33/371918233.db2.gz VPHYFFNLYTUBHS-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO COc1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000266461124 372047639 /nfs/dbraw/zinc/04/76/39/372047639.db2.gz YTGVNMHUVVFVIQ-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742128 372050784 /nfs/dbraw/zinc/05/07/84/372050784.db2.gz NXZHZWBGGJJTSN-GHMZBOCLSA-N 1 0 280.324 2.397 20 5 CEBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344172236 217085827 /nfs/dbraw/zinc/08/58/27/217085827.db2.gz SLSDZUCIOTXRKQ-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000362027771 372178697 /nfs/dbraw/zinc/17/86/97/372178697.db2.gz OKTYNALTJHEVJA-ZFWWWQNUSA-N 1 0 294.351 2.187 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268535180 372128290 /nfs/dbraw/zinc/12/82/90/372128290.db2.gz XYJGKDKDAUZZDX-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237563705 189881649 /nfs/dbraw/zinc/88/16/49/189881649.db2.gz KTMZWVDHIKNLLG-XHDPSFHLSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000269368611 372431653 /nfs/dbraw/zinc/43/16/53/372431653.db2.gz SCLPXGRKSWAFGW-UHFFFAOYSA-N 1 0 263.341 2.041 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000269662106 372523640 /nfs/dbraw/zinc/52/36/40/372523640.db2.gz QKYJUWMBNVXLLX-UMVBOHGHSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000269720823 372546796 /nfs/dbraw/zinc/54/67/96/372546796.db2.gz UKSRJUOJJUXYQQ-DGCLKSJQSA-N 1 0 264.325 2.330 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(O)CCC1 ZINC000353482569 220107068 /nfs/dbraw/zinc/10/70/68/220107068.db2.gz FOKHGHIUUAKEKB-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369368962 373397391 /nfs/dbraw/zinc/39/73/91/373397391.db2.gz DHEBQKJLKBJKPB-NNQSOWQGSA-N 1 0 276.336 2.188 20 5 CEBDRO COC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648130 373599511 /nfs/dbraw/zinc/59/95/11/373599511.db2.gz DUDSXZLJEONSNV-VXGBXAGGSA-N 1 0 282.340 2.215 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272654033 373602002 /nfs/dbraw/zinc/60/20/02/373602002.db2.gz ZYEREJDDZRIVHP-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000371730842 373961551 /nfs/dbraw/zinc/96/15/51/373961551.db2.gz AIDOYFWGHYNAAN-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000275322235 374213935 /nfs/dbraw/zinc/21/39/35/374213935.db2.gz UCZNCKUOAYNDAA-TXEJJXNPSA-N 1 0 290.319 2.170 20 5 CEBDRO CCSCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373273797 374313016 /nfs/dbraw/zinc/31/30/16/374313016.db2.gz KGWFEUCFRIYWNV-UHFFFAOYSA-N 1 0 284.385 2.181 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276963998 374361223 /nfs/dbraw/zinc/36/12/23/374361223.db2.gz VVLZTNPWQGWLBZ-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO C[NH2+][C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251591292 189970287 /nfs/dbraw/zinc/97/02/87/189970287.db2.gz XSMVZWAEMCRTMM-DGCLKSJQSA-N 1 0 263.341 2.340 20 5 CEBDRO CC[NH+](CC)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278446647 374819168 /nfs/dbraw/zinc/81/91/68/374819168.db2.gz REDUMROLZDPBAN-UHFFFAOYSA-N 1 0 278.356 2.317 20 5 CEBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000279737944 374972721 /nfs/dbraw/zinc/97/27/21/374972721.db2.gz OJKDBMYFYGFRDK-UHFFFAOYSA-N 1 0 284.385 2.009 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770644 375244436 /nfs/dbraw/zinc/24/44/36/375244436.db2.gz ARSGAJVTGQDIKC-JSGCOSHPSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000382819552 375194141 /nfs/dbraw/zinc/19/41/41/375194141.db2.gz WPEYFUWNLYZYJM-SNVBAGLBSA-N 1 0 282.340 2.195 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000408084667 375404434 /nfs/dbraw/zinc/40/44/34/375404434.db2.gz SDYPZZCJACRNAD-MNOVXSKESA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386560690 321872199 /nfs/dbraw/zinc/87/21/99/321872199.db2.gz IYMDPVRJRQDPAQ-BXUZGUMPSA-N 1 0 263.341 2.215 20 5 CEBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103596 375541844 /nfs/dbraw/zinc/54/18/44/375541844.db2.gz LJHNZHUJMTXGNU-OAHLLOKOSA-N 1 0 292.335 2.370 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000283155260 375666074 /nfs/dbraw/zinc/66/60/74/375666074.db2.gz OSRUGBMJGVSUIC-UWVGGRQHSA-N 1 0 298.314 2.411 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n(C)n1 ZINC000283951727 375786532 /nfs/dbraw/zinc/78/65/32/375786532.db2.gz IAORJVUSEDCYQI-JTQLQIEISA-N 1 0 289.339 2.070 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284045868 375801122 /nfs/dbraw/zinc/80/11/22/375801122.db2.gz KBACGPJMFMQNSP-GARJFASQSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158080 375819857 /nfs/dbraw/zinc/81/98/57/375819857.db2.gz PQZVDAXCMWVWSV-MWLCHTKSSA-N 1 0 265.313 2.007 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000286193939 375869106 /nfs/dbraw/zinc/86/91/06/375869106.db2.gz BHJWOUYSICKYOV-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286487984 375970455 /nfs/dbraw/zinc/97/04/55/375970455.db2.gz LPRXDNHNJKBIJG-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1c(NC(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414699066 375926587 /nfs/dbraw/zinc/92/65/87/375926587.db2.gz JESXBBLYCQKYQN-SNVBAGLBSA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714342 375937192 /nfs/dbraw/zinc/93/71/92/375937192.db2.gz VIXPZMDPVOPFJH-QWRGUYRKSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414716629 375937959 /nfs/dbraw/zinc/93/79/59/375937959.db2.gz XHZBXVYNDMQSGZ-MWLCHTKSSA-N 1 0 292.339 2.104 20 5 CEBDRO CCCC[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414814451 376001419 /nfs/dbraw/zinc/00/14/19/376001419.db2.gz NSARPVFKAYFKRE-GFCCVEGCSA-N 1 0 251.330 2.202 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1O ZINC000286584702 376003051 /nfs/dbraw/zinc/00/30/51/376003051.db2.gz QKSLOLZHGWLCRT-CHWSQXEVSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000414821489 376008343 /nfs/dbraw/zinc/00/83/43/376008343.db2.gz CGOKBFSJRLNAJS-GXTWGEPZSA-N 1 0 277.368 2.258 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000287539441 376255731 /nfs/dbraw/zinc/25/57/31/376255731.db2.gz VXBSTRWZXUGITI-JTQLQIEISA-N 1 0 267.304 2.122 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000289556301 376401169 /nfs/dbraw/zinc/40/11/69/376401169.db2.gz ABQOCELNVLHBSV-GFCCVEGCSA-N 1 0 288.351 2.471 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289600838 376415036 /nfs/dbraw/zinc/41/50/36/376415036.db2.gz NQNCCJAWWOKLIE-SWHYSGLUSA-N 1 0 291.351 2.160 20 5 CEBDRO CC[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000419266252 376418348 /nfs/dbraw/zinc/41/83/48/376418348.db2.gz GAWVHCNIGXTJQE-CYBMUJFWSA-N 1 0 266.341 2.494 20 5 CEBDRO COCC[NH+]1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263717234 190074868 /nfs/dbraw/zinc/07/48/68/190074868.db2.gz JJXRJJYEKWAZPB-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289694531 376449542 /nfs/dbraw/zinc/44/95/42/376449542.db2.gz SSFSFYZAWNJCIN-NWDGAFQWSA-N 1 0 277.324 2.230 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000305725342 376457404 /nfs/dbraw/zinc/45/74/04/376457404.db2.gz GOPAPESMONBVLB-GFCCVEGCSA-N 1 0 264.325 2.285 20 5 CEBDRO CC(C)[N@H+](CCn1cncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000263995396 190088207 /nfs/dbraw/zinc/08/82/07/190088207.db2.gz FDBYOUJBWPJFEB-UHFFFAOYSA-N 1 0 289.339 2.097 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000263806658 190079782 /nfs/dbraw/zinc/07/97/82/190079782.db2.gz WGTHMNLIZGWSDD-ZWNOBZJWSA-N 1 0 250.298 2.113 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@](F)(CO)C1 ZINC000289884504 376543293 /nfs/dbraw/zinc/54/32/93/376543293.db2.gz SHKILVSDUFPBRP-VFQAQYNWSA-N 1 0 294.326 2.404 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289990118 376592514 /nfs/dbraw/zinc/59/25/14/376592514.db2.gz YJXYWBUMGPVAAK-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO [NH3+]CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420232865 376640304 /nfs/dbraw/zinc/64/03/04/376640304.db2.gz MDWGODBHGFNKHD-UHFFFAOYSA-N 1 0 292.364 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000420237221 376646533 /nfs/dbraw/zinc/64/65/33/376646533.db2.gz KZESSFAVLIRLJK-LLVKDONJSA-N 1 0 264.329 2.161 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC000312736676 376727433 /nfs/dbraw/zinc/72/74/33/376727433.db2.gz UENAOKFEBSTODX-JTQLQIEISA-N 1 0 283.376 2.260 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000314117828 376765195 /nfs/dbraw/zinc/76/51/95/376765195.db2.gz DDIGTHOOYQHEGJ-HJWRWDBZSA-N 1 0 291.351 2.242 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(C)CC[NH+](C)CC1 ZINC000314772823 376781606 /nfs/dbraw/zinc/78/16/06/376781606.db2.gz LHZAZZDLVRBXSR-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290553454 376831472 /nfs/dbraw/zinc/83/14/72/376831472.db2.gz BAVZVSUNGCLFFZ-ZCFIWIBFSA-N 1 0 279.123 2.372 20 5 CEBDRO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942894 376871452 /nfs/dbraw/zinc/87/14/52/376871452.db2.gz KWSMXZFTVSEVRA-UHIISALHSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290831884 376945109 /nfs/dbraw/zinc/94/51/09/376945109.db2.gz URXBELLAUQPDTA-KOLCDFICSA-N 1 0 276.340 2.214 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000563126009 377098881 /nfs/dbraw/zinc/09/88/81/377098881.db2.gz QKGRVCDLTOTULO-BFHYXJOUSA-N 1 0 280.324 2.049 20 5 CEBDRO Cc1c([C@@H](C)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423187705 377099947 /nfs/dbraw/zinc/09/99/47/377099947.db2.gz PELIWOLRVRCMTJ-LLVKDONJSA-N 1 0 263.341 2.306 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@H]1C(F)F ZINC000563135548 377101479 /nfs/dbraw/zinc/10/14/79/377101479.db2.gz MNWIAYYIXFOHHC-DXTPNHAXSA-N 1 0 297.305 2.147 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291217719 377125466 /nfs/dbraw/zinc/12/54/66/377125466.db2.gz JBXVDJNCXHUIBE-CYBMUJFWSA-N 1 0 272.308 2.238 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256141 377177407 /nfs/dbraw/zinc/17/74/07/377177407.db2.gz BHVJBDUGEIQBOO-VXGBXAGGSA-N 1 0 295.383 2.500 20 5 CEBDRO Cn1cncc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416684 377216355 /nfs/dbraw/zinc/21/63/55/377216355.db2.gz IKUDUEHABHTJMX-CYBMUJFWSA-N 1 0 272.308 2.105 20 5 CEBDRO CC[C@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423288881 377218999 /nfs/dbraw/zinc/21/89/99/377218999.db2.gz VNTLWQZLDXRKHT-LBPRGKRZSA-N 1 0 251.330 2.373 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000563421690 377219548 /nfs/dbraw/zinc/21/95/48/377219548.db2.gz PWSWGWOGUNYWHE-WDEREUQCSA-N 1 0 279.340 2.498 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000331051766 377258717 /nfs/dbraw/zinc/25/87/17/377258717.db2.gz IQELVWYQIXAMGR-UHFFFAOYSA-N 1 0 266.345 2.483 20 5 CEBDRO [NH3+][C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332330 377263500 /nfs/dbraw/zinc/26/35/00/377263500.db2.gz UZGFHGAFLVDUJQ-GJZGRUSLSA-N 1 0 275.352 2.299 20 5 CEBDRO Cc1ccnc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292730433 377266584 /nfs/dbraw/zinc/26/65/84/377266584.db2.gz IDPQUQIIGWERQD-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264945470 190146620 /nfs/dbraw/zinc/14/66/20/190146620.db2.gz JKRPYVFOCMBDHF-JTQLQIEISA-N 1 0 267.304 2.122 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000564451215 377393997 /nfs/dbraw/zinc/39/39/97/377393997.db2.gz JMANOCQAEBEFIH-VHSXEESVSA-N 1 0 290.323 2.280 20 5 CEBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000331272217 377354007 /nfs/dbraw/zinc/35/40/07/377354007.db2.gz NYRYCWHTXPBKHU-WFASDCNBSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[C@H](F)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276099 377356136 /nfs/dbraw/zinc/35/61/36/377356136.db2.gz CHEFTHGESRQLBE-QWRGUYRKSA-N 1 0 282.319 2.224 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293148357 377446037 /nfs/dbraw/zinc/44/60/37/377446037.db2.gz DNIXFHKDIVKMOC-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293336474 377526465 /nfs/dbraw/zinc/52/64/65/377526465.db2.gz GVZZFFMGAFZLKI-QWRGUYRKSA-N 1 0 250.298 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(F)c1 ZINC000332234396 377548438 /nfs/dbraw/zinc/54/84/38/377548438.db2.gz PLHGXVBLOCOLKE-ZKYQVNSYSA-N 1 0 294.326 2.327 20 5 CEBDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565213301 377608499 /nfs/dbraw/zinc/60/84/99/377608499.db2.gz AFURWTHVIULMFD-LBPRGKRZSA-N 1 0 291.351 2.086 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000265803884 190208142 /nfs/dbraw/zinc/20/81/42/190208142.db2.gz OLFASGDNNIBSSG-LBPRGKRZSA-N 1 0 264.325 2.372 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000293625462 377663392 /nfs/dbraw/zinc/66/33/92/377663392.db2.gz HEZQGTVTMZVEKJ-MNOVXSKESA-N 1 0 292.383 2.310 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000293788098 377758394 /nfs/dbraw/zinc/75/83/94/377758394.db2.gz UCQUBAZFAHGJFV-XQQFMLRXSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1nn(CC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000295260139 378075544 /nfs/dbraw/zinc/07/55/44/378075544.db2.gz GURHBCWZTDUZIY-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447392823 378107034 /nfs/dbraw/zinc/10/70/34/378107034.db2.gz CKTLSGBTNOXSKG-CQSZACIVSA-N 1 0 296.371 2.109 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000296047136 378401789 /nfs/dbraw/zinc/40/17/89/378401789.db2.gz QFDXMBVJJAKDEX-JTQLQIEISA-N 1 0 296.346 2.237 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000450350003 378370603 /nfs/dbraw/zinc/37/06/03/378370603.db2.gz QBKHHTXTIXZTFV-YPMHNXCESA-N 1 0 278.356 2.156 20 5 CEBDRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296147262 378432260 /nfs/dbraw/zinc/43/22/60/378432260.db2.gz VQBHAWUTUVMAQY-MNOVXSKESA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296528280 378563782 /nfs/dbraw/zinc/56/37/82/378563782.db2.gz CSDMATZKOTYSHE-NWDGAFQWSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1nc(N(C)C2CC[NH+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296556483 378575113 /nfs/dbraw/zinc/57/51/13/378575113.db2.gz PEMROECJYFSPNZ-UHFFFAOYSA-N 1 0 293.371 2.002 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453012185 378772738 /nfs/dbraw/zinc/77/27/38/378772738.db2.gz IUDMAJPPHZVFGT-CYBMUJFWSA-N 1 0 289.335 2.408 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCO2)n1 ZINC000453288760 378855884 /nfs/dbraw/zinc/85/58/84/378855884.db2.gz QAONDLKXNZTAEY-AGIUHOORSA-N 1 0 294.355 2.044 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299235426 378938805 /nfs/dbraw/zinc/93/88/05/378938805.db2.gz JARFEYJWHMVRNZ-UHFFFAOYSA-N 1 0 279.340 2.118 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347288308 218180210 /nfs/dbraw/zinc/18/02/10/218180210.db2.gz QQIXPWIZSZTHTA-VIFPVBQESA-N 1 0 298.318 2.196 20 5 CEBDRO CNC(=O)CC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356022 218203353 /nfs/dbraw/zinc/20/33/53/218203353.db2.gz KJOZRNBANJPDSZ-FMIVXFBMSA-N 1 0 291.351 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000514798372 379150871 /nfs/dbraw/zinc/15/08/71/379150871.db2.gz NXMQZFQLWVLUEW-WDEREUQCSA-N 1 0 297.330 2.028 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000266402039 190254555 /nfs/dbraw/zinc/25/45/55/190254555.db2.gz PNCPGXQCIOJFET-NSHDSACASA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H]1CC[N@H+](CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC000524718464 379629114 /nfs/dbraw/zinc/62/91/14/379629114.db2.gz KRIRJWIKAIDRCI-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000267201208 190311037 /nfs/dbraw/zinc/31/10/37/190311037.db2.gz FVYJOMKYKZKMPP-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267771134 190353515 /nfs/dbraw/zinc/35/35/15/190353515.db2.gz VKXXSAQQZMHEGO-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000267771127 190353704 /nfs/dbraw/zinc/35/37/04/190353704.db2.gz VKXXSAQQZMHEGO-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024411 190370522 /nfs/dbraw/zinc/37/05/22/190370522.db2.gz IVQFMNNUPUKXJV-LBPRGKRZSA-N 1 0 279.340 2.036 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000458195319 380040169 /nfs/dbraw/zinc/04/01/69/380040169.db2.gz QZBJXBYTXDLBRJ-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167086 190382815 /nfs/dbraw/zinc/38/28/15/190382815.db2.gz PTMRZLGBGBUCSE-GWCFXTLKSA-N 1 0 261.325 2.489 20 5 CEBDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000268357558 190397225 /nfs/dbraw/zinc/39/72/25/190397225.db2.gz NTCCYAFOYNLMSP-CQSZACIVSA-N 1 0 293.367 2.139 20 5 CEBDRO CC[NH+](CC)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490575060 380250267 /nfs/dbraw/zinc/25/02/67/380250267.db2.gz GVBBUDWMZKIHFV-KTKRTIGZSA-N 1 0 291.351 2.066 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000334042521 380220776 /nfs/dbraw/zinc/22/07/76/380220776.db2.gz REQUCVNZVXBSCM-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289358561 197311219 /nfs/dbraw/zinc/31/12/19/197311219.db2.gz KBRYMTCEPHFNAK-UHFFFAOYSA-N 1 0 274.324 2.301 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1 ZINC000160430760 285124821 /nfs/dbraw/zinc/12/48/21/285124821.db2.gz SKXCRSGUUDFMAL-AWEZNQCLSA-N 1 0 290.367 2.445 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000350340398 219010374 /nfs/dbraw/zinc/01/03/74/219010374.db2.gz DLHFSSNZAJSTDN-CYBMUJFWSA-N 1 0 270.304 2.495 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000363395761 285165115 /nfs/dbraw/zinc/16/51/15/285165115.db2.gz MVRPSQCSPSSJCX-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC(F)(F)F)CC2 ZINC000347796826 285184090 /nfs/dbraw/zinc/18/40/90/285184090.db2.gz NHKIKJDCJSFEQU-UHFFFAOYSA-N 1 0 275.230 2.300 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080996268 177750947 /nfs/dbraw/zinc/75/09/47/177750947.db2.gz VMQWSDYBPUMTQY-CYBMUJFWSA-N 1 0 291.351 2.085 20 5 CEBDRO Cn1c(Cl)cnc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000281777390 195377416 /nfs/dbraw/zinc/37/74/16/195377416.db2.gz SVDRPPOZMKRGGB-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CCC[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299401361 394449234 /nfs/dbraw/zinc/44/92/34/394449234.db2.gz VYYKVVNUDAXASE-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000303983726 394480915 /nfs/dbraw/zinc/48/09/15/394480915.db2.gz HEOQNYGJEZHTGV-LBPRGKRZSA-N 1 0 282.340 2.065 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413095039 394482207 /nfs/dbraw/zinc/48/22/07/394482207.db2.gz PIGYSCMBAPPWCM-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000304284159 394482889 /nfs/dbraw/zinc/48/28/89/394482889.db2.gz FIAMZHQAQRDCPE-SMDDNHRTSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000235658981 394483698 /nfs/dbraw/zinc/48/36/98/394483698.db2.gz LAIUOBGXMFTQKT-GWCFXTLKSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1sc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421702439 394568699 /nfs/dbraw/zinc/56/86/99/394568699.db2.gz JZIHMBVZORJRHA-SNVBAGLBSA-N 1 0 297.380 2.131 20 5 CEBDRO Cc1sc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421702438 394569003 /nfs/dbraw/zinc/56/90/03/394569003.db2.gz JZIHMBVZORJRHA-JTQLQIEISA-N 1 0 297.380 2.131 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668480 394572996 /nfs/dbraw/zinc/57/29/96/394572996.db2.gz XLTXXQPPXABYJT-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000315043469 394544495 /nfs/dbraw/zinc/54/44/95/394544495.db2.gz XVZKVDBRNOUMBO-ZDUSSCGKSA-N 1 0 294.351 2.046 20 5 CEBDRO CCOc1cc(NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000356740044 394598910 /nfs/dbraw/zinc/59/89/10/394598910.db2.gz JNCUPSCLCOKZJE-UHFFFAOYSA-N 1 0 265.313 2.111 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000089091240 394647202 /nfs/dbraw/zinc/64/72/02/394647202.db2.gz RLGVWFYFGAPQSP-KCJUWKMLSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422559015 394709932 /nfs/dbraw/zinc/70/99/32/394709932.db2.gz PWUIGGAVIHUZGA-UHFFFAOYSA-N 1 0 280.328 2.152 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000271905728 394765591 /nfs/dbraw/zinc/76/55/91/394765591.db2.gz BVYZYWQLJWHIFJ-JTQLQIEISA-N 1 0 298.364 2.207 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415050867 394864890 /nfs/dbraw/zinc/86/48/90/394864890.db2.gz DHUHERIBPKHYRN-RKLVJPFCSA-N 1 0 261.325 2.030 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCC1 ZINC000336849140 394881833 /nfs/dbraw/zinc/88/18/33/394881833.db2.gz PXUXVXGFIBPRJD-NSHDSACASA-N 1 0 295.387 2.263 20 5 CEBDRO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414986770 394837649 /nfs/dbraw/zinc/83/76/49/394837649.db2.gz YEUHALUUKBFHRE-VIFPVBQESA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1C[NH2+]CCC1(F)F ZINC000414995489 394841816 /nfs/dbraw/zinc/84/18/16/394841816.db2.gz FQCRRWQLTLXXMF-LQPUYASZSA-N 1 0 297.305 2.195 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362379427 394858145 /nfs/dbraw/zinc/85/81/45/394858145.db2.gz RTCNKIMHHBUVIC-NWDGAFQWSA-N 1 0 291.351 2.348 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000415040942 394859793 /nfs/dbraw/zinc/85/97/93/394859793.db2.gz OUDMBCYYGQSWDY-ZDUSSCGKSA-N 1 0 263.341 2.133 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423394456 394913897 /nfs/dbraw/zinc/91/38/97/394913897.db2.gz ZSEZQUPHFUSWGM-GHMZBOCLSA-N 1 0 251.330 2.243 20 5 CEBDRO C[NH2+]CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704608 394955287 /nfs/dbraw/zinc/95/52/87/394955287.db2.gz SIYDKOZSJLIVSG-UHFFFAOYSA-N 1 0 294.355 2.233 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000415422895 394930996 /nfs/dbraw/zinc/93/09/96/394930996.db2.gz XLDOLNOKSHZDSM-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCC1 ZINC000423504713 394938956 /nfs/dbraw/zinc/93/89/56/394938956.db2.gz GHNNUJQIWXAIRK-UHFFFAOYSA-N 1 0 291.351 2.131 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415581640 394945923 /nfs/dbraw/zinc/94/59/23/394945923.db2.gz NSYUUIDJIVTCQQ-GFCCVEGCSA-N 1 0 292.339 2.070 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000286272653 395018794 /nfs/dbraw/zinc/01/87/94/395018794.db2.gz HLLLXDNSASWFDN-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590227 395024788 /nfs/dbraw/zinc/02/47/88/395024788.db2.gz YXCOFRIPGPNXCO-VHSXEESVSA-N 1 0 282.369 2.114 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415770954 394962642 /nfs/dbraw/zinc/96/26/42/394962642.db2.gz ZIIBCMRIBYHPCH-IUCAKERBSA-N 1 0 280.328 2.014 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285819854 394968793 /nfs/dbraw/zinc/96/87/93/394968793.db2.gz GTAHDQBMYKAKMZ-ONGXEEELSA-N 1 0 282.365 2.445 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520868 395088427 /nfs/dbraw/zinc/08/84/27/395088427.db2.gz PPAHYBISQVJMBD-AUSHCKSDSA-N 1 0 270.354 2.012 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375016986 395089332 /nfs/dbraw/zinc/08/93/32/395089332.db2.gz GMJKUILECUPHBG-IUODEOHRSA-N 1 0 275.352 2.121 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000439116478 395250284 /nfs/dbraw/zinc/25/02/84/395250284.db2.gz GMRPCDNCMJDWIX-AWEZNQCLSA-N 1 0 295.383 2.408 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396798636 395219107 /nfs/dbraw/zinc/21/91/07/395219107.db2.gz GTIVPKHHHQZWDH-LBPRGKRZSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000408437190 395300165 /nfs/dbraw/zinc/30/01/65/395300165.db2.gz QKDBTCMUTJYQGZ-MNOVXSKESA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000353559635 395301806 /nfs/dbraw/zinc/30/18/06/395301806.db2.gz LHUUODUMTVVWNP-JHJVBQTASA-N 1 0 296.371 2.290 20 5 CEBDRO COc1cc(C[N@H+](C)CCCCCO)ccc1[N+](=O)[O-] ZINC000434678142 395322020 /nfs/dbraw/zinc/32/20/20/395322020.db2.gz CLNMSVXDAJKKFO-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935537 395265066 /nfs/dbraw/zinc/26/50/66/395265066.db2.gz BORGGFCDMOTAHP-CKYFFXLPSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935542 395266543 /nfs/dbraw/zinc/26/65/43/395266543.db2.gz BORGGFCDMOTAHP-JFGNBEQYSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946519 395266794 /nfs/dbraw/zinc/26/67/94/395266794.db2.gz JETRNVAUQIRKMW-SKDRFNHKSA-N 1 0 250.298 2.170 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420375931 395361960 /nfs/dbraw/zinc/36/19/60/395361960.db2.gz OPLNEKXJOHZRND-BXUZGUMPSA-N 1 0 293.367 2.161 20 5 CEBDRO COc1cccc(N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420641073 395398882 /nfs/dbraw/zinc/39/88/82/395398882.db2.gz UICCGNHAPBBCCG-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO Cc1c(CN2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420328940 395331185 /nfs/dbraw/zinc/33/11/85/395331185.db2.gz ILRHAGDMRFHQFR-AWEZNQCLSA-N 1 0 281.331 2.037 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)C1 ZINC000420339659 395335764 /nfs/dbraw/zinc/33/57/64/395335764.db2.gz RDMLOQAWYOPSFA-GFCCVEGCSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000193353471 395407272 /nfs/dbraw/zinc/40/72/72/395407272.db2.gz VXSPWAGJKVFCIY-IINYFYTJSA-N 1 0 291.351 2.039 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000193606098 395411994 /nfs/dbraw/zinc/41/19/94/395411994.db2.gz CHLFSERIUOCCIB-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCOCC3)nc2c1 ZINC000446852309 395500554 /nfs/dbraw/zinc/50/05/54/395500554.db2.gz JELHZKHJKKUOJS-JTQLQIEISA-N 1 0 290.323 2.130 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256074 395599824 /nfs/dbraw/zinc/59/98/24/395599824.db2.gz OIUBJVKTVCVFBP-GWCFXTLKSA-N 1 0 282.315 2.327 20 5 CEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449508841 395551931 /nfs/dbraw/zinc/55/19/31/395551931.db2.gz HZGCZLMXRQNUFG-KGLIPLIRSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120265 395666538 /nfs/dbraw/zinc/66/65/38/395666538.db2.gz JCPIGCOTZDCSIT-QWRGUYRKSA-N 1 0 294.355 2.370 20 5 CEBDRO COc1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221372136 153313187 /nfs/dbraw/zinc/31/31/87/153313187.db2.gz CLGCVNUPUXOJAP-AWEZNQCLSA-N 1 0 280.324 2.262 20 5 CEBDRO CCC[N@H+](CC)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000223252457 153318019 /nfs/dbraw/zinc/31/80/19/153318019.db2.gz YQIQBGBFTOVTDB-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1ncc[nH]1 ZINC000226777049 153337711 /nfs/dbraw/zinc/33/77/11/153337711.db2.gz RAWKXPWGPZYGRC-LURJTMIESA-N 1 0 253.287 2.338 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000230163185 153386892 /nfs/dbraw/zinc/38/68/92/153386892.db2.gz OAVPQQXRXMYCLA-GFCCVEGCSA-N 1 0 250.298 2.111 20 5 CEBDRO CC1(C)CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000263113009 154020838 /nfs/dbraw/zinc/02/08/38/154020838.db2.gz DZYGSORLGPIDEK-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000363192923 156009810 /nfs/dbraw/zinc/00/98/10/156009810.db2.gz QIOUJIZHWOGNNJ-HNNXBMFYSA-N 1 0 275.352 2.265 20 5 CEBDRO COc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1[N+](=O)[O-] ZINC000367073012 156124009 /nfs/dbraw/zinc/12/40/09/156124009.db2.gz QMNTUYCHWJMESB-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367798322 156238130 /nfs/dbraw/zinc/23/81/30/156238130.db2.gz QBIPUWGNPUIFKV-RABLLNBGSA-N 1 0 276.336 2.134 20 5 CEBDRO C[C@H]1CC[C@@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000368077866 156281452 /nfs/dbraw/zinc/28/14/52/156281452.db2.gz WPLKBHHSOLSPBI-GXTWGEPZSA-N 1 0 278.356 2.303 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000374984140 157034064 /nfs/dbraw/zinc/03/40/64/157034064.db2.gz WRARRPCUTOUAGE-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCC2)CC1 ZINC000375754918 157136232 /nfs/dbraw/zinc/13/62/32/157136232.db2.gz QCCFBRVLFLXOCG-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCSC3)CC2)n1 ZINC000376652067 157252233 /nfs/dbraw/zinc/25/22/33/157252233.db2.gz OTMWHZKUFIBORV-LLVKDONJSA-N 1 0 296.396 2.181 20 5 CEBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159852642 162316471 /nfs/dbraw/zinc/31/64/71/162316471.db2.gz VYVUUSXXESMBDP-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000171824132 162390858 /nfs/dbraw/zinc/39/08/58/162390858.db2.gz UZNQNTYVUZYABP-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]21 ZINC000248408321 162503470 /nfs/dbraw/zinc/50/34/70/162503470.db2.gz CBEWBRIBORMOQA-MRVWCRGKSA-N 1 0 278.356 2.302 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(CCCC3)C2)n1 ZINC000176271503 165160762 /nfs/dbraw/zinc/16/07/62/165160762.db2.gz AAWKDNMPJNRREQ-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO CN(C)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020125958 171009934 /nfs/dbraw/zinc/00/99/34/171009934.db2.gz IHJOCJFUFUVQFO-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196069 171061294 /nfs/dbraw/zinc/06/12/94/171061294.db2.gz OWSRVUJAROWMOW-CMPLNLGQSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000035735504 172387944 /nfs/dbraw/zinc/38/79/44/172387944.db2.gz YVLNQJXKOKZQTC-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO CCC[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471734 196294832 /nfs/dbraw/zinc/29/48/32/196294832.db2.gz HOENNODEJBGWLC-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285819827 196410542 /nfs/dbraw/zinc/41/05/42/196410542.db2.gz GTAHDQBMYKAKMZ-GXSJLCMTSA-N 1 0 282.365 2.445 20 5 CEBDRO CCOC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000286028391 196474588 /nfs/dbraw/zinc/47/45/88/196474588.db2.gz HUAFJTDKQNGJDJ-CABCVRRESA-N 1 0 296.367 2.279 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000038392890 174141087 /nfs/dbraw/zinc/14/10/87/174141087.db2.gz ACGFPZIJPPEUEQ-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672682 174370344 /nfs/dbraw/zinc/37/03/44/174370344.db2.gz QEABEDVAOVTKEP-YPMHNXCESA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672918 174371138 /nfs/dbraw/zinc/37/11/38/174371138.db2.gz RBRYUFNVTWBGJX-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044507772 175186568 /nfs/dbraw/zinc/18/65/68/175186568.db2.gz MLRZMUMHQQPIOB-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO C[NH+]1CCC(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000044526254 175191402 /nfs/dbraw/zinc/19/14/02/175191402.db2.gz XWPDMEPMZOEMGO-UHFFFAOYSA-N 1 0 267.304 2.488 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000053204647 175544492 /nfs/dbraw/zinc/54/44/92/175544492.db2.gz NQOPKKKUUHNABN-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CO)CC2)cc1 ZINC000055903297 175582506 /nfs/dbraw/zinc/58/25/06/175582506.db2.gz VUMOUIAITKRMDG-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO C[N@H+](CCNc1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000071377618 176142836 /nfs/dbraw/zinc/14/28/36/176142836.db2.gz UDCBGNNYZCNSRX-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000517888721 260314662 /nfs/dbraw/zinc/31/46/62/260314662.db2.gz IXKQBCGXHPILQU-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000521413993 262317537 /nfs/dbraw/zinc/31/75/37/262317537.db2.gz JICVQFFGFMTYMQ-CQSZACIVSA-N 1 0 279.315 2.314 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390531 263261088 /nfs/dbraw/zinc/26/10/88/263261088.db2.gz YFICBOOAFUGZMZ-GXSJLCMTSA-N 1 0 279.340 2.078 20 5 CEBDRO CO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425448367 264325859 /nfs/dbraw/zinc/32/58/59/264325859.db2.gz UXOISSQRVPGXAA-OAHLLOKOSA-N 1 0 278.352 2.494 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213155 270346596 /nfs/dbraw/zinc/34/65/96/270346596.db2.gz QOKOHWMXUPKBPV-OLZOCXBDSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397490278 270354478 /nfs/dbraw/zinc/35/44/78/270354478.db2.gz ZCRBYWBNLNLSEI-FXPVBKGRSA-N 1 0 297.380 2.102 20 5 CEBDRO CON1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000421402969 270619947 /nfs/dbraw/zinc/61/99/47/270619947.db2.gz WIAMROVVSSAMSH-GQCTYLIASA-N 1 0 291.351 2.223 20 5 CEBDRO CC[NH2+]CCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423237730 270880105 /nfs/dbraw/zinc/88/01/05/270880105.db2.gz DRNYUNZLFZHXPD-LLVKDONJSA-N 1 0 281.356 2.254 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000424335829 271047708 /nfs/dbraw/zinc/04/77/08/271047708.db2.gz PIFYDBKCLPHZAL-VXGBXAGGSA-N 1 0 267.304 2.093 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425360974 271160004 /nfs/dbraw/zinc/16/00/04/271160004.db2.gz WSTGJROCPUSCRX-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CC(F)F ZINC000428641605 271283737 /nfs/dbraw/zinc/28/37/37/271283737.db2.gz MNTJQOHHRPFSHK-MZBZXASESA-N 1 0 286.278 2.214 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000430207699 271363225 /nfs/dbraw/zinc/36/32/25/271363225.db2.gz RIYPLCKAAXHACC-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000430219847 271363662 /nfs/dbraw/zinc/36/36/62/271363662.db2.gz NZZDXMDQTAKUKU-BXUZGUMPSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000430205995 271363779 /nfs/dbraw/zinc/36/37/79/271363779.db2.gz VIHRWPMNNPQJDR-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+](C)C1CC1 ZINC000430205188 271363825 /nfs/dbraw/zinc/36/38/25/271363825.db2.gz IYYQRESFEUUZQL-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430607962 271398725 /nfs/dbraw/zinc/39/87/25/271398725.db2.gz BWMGHOLHTWIWTP-CHWSQXEVSA-N 1 0 293.367 2.175 20 5 CEBDRO C[NH2+]C[C@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414840335 273966121 /nfs/dbraw/zinc/96/61/21/273966121.db2.gz NBLACOLNINNYAQ-VIFPVBQESA-N 1 0 271.748 2.193 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)c1 ZINC000301372384 274095793 /nfs/dbraw/zinc/09/57/93/274095793.db2.gz VSZMPFKPCRQUKV-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO COc1cc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000291675630 274097700 /nfs/dbraw/zinc/09/77/00/274097700.db2.gz DSNCHOZFCHEQMS-VIFPVBQESA-N 1 0 285.319 2.352 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000338687371 274118679 /nfs/dbraw/zinc/11/86/79/274118679.db2.gz INGYLXMQRXELKX-CMPLNLGQSA-N 1 0 279.340 2.498 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000341690417 276108579 /nfs/dbraw/zinc/10/85/79/276108579.db2.gz AABPPTBZRXRXMH-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194206 276137750 /nfs/dbraw/zinc/13/77/50/276137750.db2.gz IRDNYNOIEUMRQL-QWRGUYRKSA-N 1 0 252.314 2.359 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000308656012 276756718 /nfs/dbraw/zinc/75/67/18/276756718.db2.gz AXCFVENFXSOVRX-UHFFFAOYSA-N 1 0 283.357 2.056 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292290976 277160934 /nfs/dbraw/zinc/16/09/34/277160934.db2.gz NBHFQHRICXRNBU-CQSZACIVSA-N 1 0 261.325 2.127 20 5 CEBDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535148 277641121 /nfs/dbraw/zinc/64/11/21/277641121.db2.gz SPVGHQNZABCYJA-AAEUAGOBSA-N 1 0 291.351 2.255 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252767597 278218150 /nfs/dbraw/zinc/21/81/50/278218150.db2.gz RBTBOMIVXXZFTA-OUAUKWLOSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063192301 278312435 /nfs/dbraw/zinc/31/24/35/278312435.db2.gz KWZHQPJHKWHVHZ-RNCFNFMXSA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037152140 278334236 /nfs/dbraw/zinc/33/42/36/278334236.db2.gz NZESJUIOMPFXQX-QFWMXSHPSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000301458454 279015329 /nfs/dbraw/zinc/01/53/29/279015329.db2.gz SUVCPRRWSHPPCC-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO CC[NH+](CC)CCCNCc1ccccc1[N+](=O)[O-] ZINC000020052139 279099814 /nfs/dbraw/zinc/09/98/14/279099814.db2.gz ITYSYCACPGMRAZ-UHFFFAOYSA-N 1 0 265.357 2.416 20 5 CEBDRO C[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230196 279360435 /nfs/dbraw/zinc/36/04/35/279360435.db2.gz ZXWGHRUZMHQZBQ-RNCFNFMXSA-N 1 0 264.325 2.288 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309492 279687539 /nfs/dbraw/zinc/68/75/39/279687539.db2.gz QIWWERSQQTXAQF-VXGBXAGGSA-N 1 0 293.367 2.406 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089898294 279703461 /nfs/dbraw/zinc/70/34/61/279703461.db2.gz IKNAPFGYVJOIPL-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000192127491 279917912 /nfs/dbraw/zinc/91/79/12/279917912.db2.gz KLBTUCLNKXNALO-FZMZJTMJSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000138979425 280072902 /nfs/dbraw/zinc/07/29/02/280072902.db2.gz AYVDNZRMVBRVAS-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070176372 280326989 /nfs/dbraw/zinc/32/69/89/280326989.db2.gz PTACHKGCMURKLM-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248374723 280344984 /nfs/dbraw/zinc/34/49/84/280344984.db2.gz SUNQKYVATNDBMG-WDEREUQCSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000070149080 280657898 /nfs/dbraw/zinc/65/78/98/280657898.db2.gz JXUWWOZWWDMPDT-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO COc1ccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946526 280975449 /nfs/dbraw/zinc/97/54/49/280975449.db2.gz OXFJUNAABSTHRA-DGCLKSJQSA-N 1 0 293.367 2.224 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437567 281041786 /nfs/dbraw/zinc/04/17/86/281041786.db2.gz GGDUSTDKXYQUTG-AXFHLTTASA-N 1 0 281.356 2.380 20 5 CEBDRO COC[C@@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447371 281045761 /nfs/dbraw/zinc/04/57/61/281045761.db2.gz ZPWOYKWGKDQNFJ-WFASDCNBSA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cccc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000302515625 281227964 /nfs/dbraw/zinc/22/79/64/281227964.db2.gz VINHWGHXBCILMN-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO C[NH+](C)CCSCCOc1cccc([N+](=O)[O-])c1 ZINC000446571290 281766931 /nfs/dbraw/zinc/76/69/31/281766931.db2.gz CQWINGFJRUPSAW-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459794115 290242632 /nfs/dbraw/zinc/24/26/32/290242632.db2.gz LYWKDSSUYKVXMO-STQMWFEESA-N 1 0 264.350 2.327 20 5 CEBDRO Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000471723224 290279776 /nfs/dbraw/zinc/27/97/76/290279776.db2.gz DGRWJYMZHNBYGO-JOYOIKCWSA-N 1 0 276.340 2.193 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCO ZINC000487188604 290335850 /nfs/dbraw/zinc/33/58/50/290335850.db2.gz RFNZQGPNGVFWLA-FMIVXFBMSA-N 1 0 264.325 2.360 20 5 CEBDRO CC(C)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487999427 290373572 /nfs/dbraw/zinc/37/35/72/290373572.db2.gz AIOIVFFOOZHGFT-MRXNPFEDSA-N 1 0 291.395 2.409 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343585 290391677 /nfs/dbraw/zinc/39/16/77/290391677.db2.gz GCUGQPXMFIGSHM-QWHCGFSZSA-N 1 0 275.352 2.373 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[N@H+](C)C1CC1 ZINC000186769246 295254947 /nfs/dbraw/zinc/25/49/47/295254947.db2.gz VTILNGVDRJEPOB-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000515165255 297565271 /nfs/dbraw/zinc/56/52/71/297565271.db2.gz RPYGZVXAYOGFLQ-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO Cn1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000536534023 298197101 /nfs/dbraw/zinc/19/71/01/298197101.db2.gz STJGETSMGBENLM-UHFFFAOYSA-N 1 0 275.308 2.102 20 5 CEBDRO Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000562832556 298715629 /nfs/dbraw/zinc/71/56/29/298715629.db2.gz VGRHGPSFCAKFRV-CYBMUJFWSA-N 1 0 267.304 2.041 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563170386 298746476 /nfs/dbraw/zinc/74/64/76/298746476.db2.gz QYUJDXCNYUDBGH-QWRGUYRKSA-N 1 0 279.340 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cncnc3)c2c1 ZINC000567424232 299062589 /nfs/dbraw/zinc/06/25/89/299062589.db2.gz XBEAGOCSRUFBMG-UHFFFAOYSA-N 1 0 297.318 2.198 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310399 301788145 /nfs/dbraw/zinc/78/81/45/301788145.db2.gz FQIDZTPKKKVUQU-FDMGOTLNSA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC000531957208 313334946 /nfs/dbraw/zinc/33/49/46/313334946.db2.gz GTAICGUMBISTLA-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000532248273 313343943 /nfs/dbraw/zinc/34/39/43/313343943.db2.gz SNFXJDMAMBLGRZ-FZMZJTMJSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1cc(NC(=O)N2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000563471771 313742792 /nfs/dbraw/zinc/74/27/92/313742792.db2.gz AZPIYGFHNCCMFJ-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000571084055 314072983 /nfs/dbraw/zinc/07/29/83/314072983.db2.gz ZQCWFEXUZMYEMB-DMEOUFDRSA-N 1 0 288.307 2.299 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000573014976 314136499 /nfs/dbraw/zinc/13/64/99/314136499.db2.gz JJKNGJVMSWMCCR-LBPRGKRZSA-N 1 0 291.351 2.278 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137162 314209261 /nfs/dbraw/zinc/20/92/61/314209261.db2.gz QVHGKLBHTQSQRD-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000577469112 314380366 /nfs/dbraw/zinc/38/03/66/314380366.db2.gz HAAGLAHLFXACSB-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000579454265 314587259 /nfs/dbraw/zinc/58/72/59/314587259.db2.gz GOLABOOGERQSJI-QWHCGFSZSA-N 1 0 298.346 2.331 20 5 CEBDRO COC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183504960 321718779 /nfs/dbraw/zinc/71/87/79/321718779.db2.gz OKILORJHHJNAMO-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000387339676 321877643 /nfs/dbraw/zinc/87/76/43/321877643.db2.gz DZSMOHNSNCUYAZ-KWBADKCTSA-N 1 0 252.314 2.405 20 5 CEBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000387641476 321880251 /nfs/dbraw/zinc/88/02/51/321880251.db2.gz IFRMCEVWKKFCJZ-ZDUSSCGKSA-N 1 0 293.367 2.235 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000388796344 321887836 /nfs/dbraw/zinc/88/78/36/321887836.db2.gz SNMPCSZCLXPRIS-WCFLWFBJSA-N 1 0 261.325 2.077 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000581131631 322371671 /nfs/dbraw/zinc/37/16/71/322371671.db2.gz NOCVBAHNBIFOAP-GHMZBOCLSA-N 1 0 281.356 2.209 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000581260493 322382343 /nfs/dbraw/zinc/38/23/43/322382343.db2.gz IXQZFTFMDRNFTM-CYBMUJFWSA-N 1 0 293.367 2.380 20 5 CEBDRO C[NH2+]CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000583497811 322550395 /nfs/dbraw/zinc/55/03/95/322550395.db2.gz IYTOTZSGXVLMIY-UHFFFAOYSA-N 1 0 260.297 2.068 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000560689689 327336766 /nfs/dbraw/zinc/33/67/66/327336766.db2.gz ZVFCYCIDTXGODE-QWRGUYRKSA-N 1 0 266.345 2.078 20 5 CEBDRO COc1cc(C[NH2+]C(C)(C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000356260269 533867297 /nfs/dbraw/zinc/86/72/97/533867297.db2.gz VJOSRIGAKFEOPL-UHFFFAOYSA-N 1 0 282.340 2.243 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000357839893 533948176 /nfs/dbraw/zinc/94/81/76/533948176.db2.gz ZKWJRVNYAUJBML-GHMZBOCLSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1C1CC1 ZINC000357518833 533969319 /nfs/dbraw/zinc/96/93/19/533969319.db2.gz AIGSXHWGAJNBOB-KOLCDFICSA-N 1 0 262.313 2.027 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176247888 534057121 /nfs/dbraw/zinc/05/71/21/534057121.db2.gz ABIWYEGHDHUWIP-UPJWGTAASA-N 1 0 278.356 2.444 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000414662976 534343278 /nfs/dbraw/zinc/34/32/78/534343278.db2.gz RTNKWEQJCFIMDH-GFCCVEGCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414662962 534343509 /nfs/dbraw/zinc/34/35/09/534343509.db2.gz RSHGLDXHJZSJIY-QWRGUYRKSA-N 1 0 292.339 2.295 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000155886703 519284712 /nfs/dbraw/zinc/28/47/12/519284712.db2.gz HSUZNCVRQUBYAS-AWEZNQCLSA-N 1 0 294.355 2.480 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000052812789 521550731 /nfs/dbraw/zinc/55/07/31/521550731.db2.gz HOEOGPKKDYKEHR-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812541 521649698 /nfs/dbraw/zinc/64/96/98/521649698.db2.gz HNXWBCJPOLFWMH-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000050444017 524740447 /nfs/dbraw/zinc/74/04/47/524740447.db2.gz QEIDWOJKYRMAAB-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO Cc1nc(NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000161510907 526996952 /nfs/dbraw/zinc/99/69/52/526996952.db2.gz BUKLYBLUTPQGTN-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO CC1(O)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177340058 528043291 /nfs/dbraw/zinc/04/32/91/528043291.db2.gz YQCKDMIAGXJVDN-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1occc1C ZINC000412029228 528612096 /nfs/dbraw/zinc/61/20/96/528612096.db2.gz TWKLALUKGJSNER-UHFFFAOYSA-N 1 0 278.312 2.215 20 5 CEBDRO CC(C)N(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411464269 528798627 /nfs/dbraw/zinc/79/86/27/528798627.db2.gz XVELTOIYLITXES-LLVKDONJSA-N 1 0 279.340 2.112 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132821840 529224106 /nfs/dbraw/zinc/22/41/06/529224106.db2.gz PEMDYFVXPWOCGH-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000748243233 574438026 /nfs/dbraw/zinc/43/80/26/574438026.db2.gz WGRTWWIVGVKPMV-AWEZNQCLSA-N 1 0 280.324 2.416 20 5 CEBDRO CC(C)OCC(=[NH2+])NOCc1c(F)cccc1[N+](=O)[O-] ZINC000728910204 574473562 /nfs/dbraw/zinc/47/35/62/574473562.db2.gz IZHCKMXYDIHING-UHFFFAOYSA-N 1 0 285.275 2.157 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732054542 574611033 /nfs/dbraw/zinc/61/10/33/574611033.db2.gz YYZXOHDAUSIBQD-LBPRGKRZSA-N 1 0 279.315 2.407 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000740727278 574966939 /nfs/dbraw/zinc/96/69/39/574966939.db2.gz JZHKFAWSGHZOCQ-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941382 575301928 /nfs/dbraw/zinc/30/19/28/575301928.db2.gz NJFVEIRZDLTJSU-ONGXEEELSA-N 1 0 289.339 2.336 20 5 CEBDRO CCO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932971897 623430361 /nfs/dbraw/zinc/43/03/61/623430361.db2.gz ASWWAKXCQKKZTG-LBPRGKRZSA-N 1 0 250.298 2.206 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000840838079 623630128 /nfs/dbraw/zinc/63/01/28/623630128.db2.gz MYEAIBKDBYZFIH-UHFFFAOYSA-N 1 0 296.396 2.221 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934038619 624184280 /nfs/dbraw/zinc/18/42/80/624184280.db2.gz FEPFOQBYXJIZGM-NILFDRSVSA-N 1 0 294.351 2.358 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2OC)C1 ZINC000891968028 624206376 /nfs/dbraw/zinc/20/63/76/624206376.db2.gz TVPIYSZBRVMVHW-LLVKDONJSA-N 1 0 294.355 2.142 20 5 CEBDRO CN(CC[N@H+](C)C1CCCCC1)c1c([N+](=O)[O-])cnn1C ZINC000891987255 624232692 /nfs/dbraw/zinc/23/26/92/624232692.db2.gz KKHNCVZPTVPETA-UHFFFAOYSA-N 1 0 295.387 2.029 20 5 CEBDRO CC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843237777 625039202 /nfs/dbraw/zinc/03/92/02/625039202.db2.gz GOAQACOPOSEWFM-UHFFFAOYSA-N 1 0 262.269 2.063 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000820596135 634466597 /nfs/dbraw/zinc/46/65/97/634466597.db2.gz QKPNAUTWHWKLBD-GXSJLCMTSA-N 1 0 294.311 2.032 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621186 627317703 /nfs/dbraw/zinc/31/77/03/627317703.db2.gz HMEDHDLAFNRGTO-VHSXEESVSA-N 1 0 266.297 2.197 20 5 CEBDRO Cc1c(C[NH2+]C[C@@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000311983890 627964542 /nfs/dbraw/zinc/96/45/42/627964542.db2.gz REDLHVKWCPAJAN-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000893229609 628157759 /nfs/dbraw/zinc/15/77/59/628157759.db2.gz UXPFAKHGHDQOHL-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000104128413 628580058 /nfs/dbraw/zinc/58/00/58/628580058.db2.gz SFZPALPRTRKJAP-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO Cc1c([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC000902476276 634667289 /nfs/dbraw/zinc/66/72/89/634667289.db2.gz ONWDRUMWWPNSEK-UZGDPCLZSA-N 1 0 275.352 2.447 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931653081 628747977 /nfs/dbraw/zinc/74/79/77/628747977.db2.gz JHMKUITZJOENGR-MFKMUULPSA-N 1 0 291.351 2.078 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000094340424 628823045 /nfs/dbraw/zinc/82/30/45/628823045.db2.gz HBRZAYHBEGJALY-UFBFGSQYSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693222 628923907 /nfs/dbraw/zinc/92/39/07/628923907.db2.gz UBPFATMSPKPRIP-QXEWZRGKSA-N 1 0 266.345 2.342 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103619 629126903 /nfs/dbraw/zinc/12/69/03/629126903.db2.gz QVCRXAPWIYOREQ-XVKPBYJWSA-N 1 0 298.730 2.202 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261981066 629409587 /nfs/dbraw/zinc/40/95/87/629409587.db2.gz RIHLMOFMLWPLEZ-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262060428 629661310 /nfs/dbraw/zinc/66/13/10/629661310.db2.gz RBAKTLLAGPORSN-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000049235275 629862499 /nfs/dbraw/zinc/86/24/99/629862499.db2.gz NQVRMWGZHDSBBI-NSHDSACASA-N 1 0 274.324 2.278 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000895100159 629895332 /nfs/dbraw/zinc/89/53/32/629895332.db2.gz RIKNKEPHJROEFK-TXEJJXNPSA-N 1 0 278.356 2.217 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000895119329 629921594 /nfs/dbraw/zinc/92/15/94/629921594.db2.gz CCWHBGFCZQRMTM-LBPRGKRZSA-N 1 0 280.324 2.192 20 5 CEBDRO CC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895119849 629922196 /nfs/dbraw/zinc/92/21/96/629922196.db2.gz IEIWGTIZHGOHQC-VFFGBVLKSA-N 1 0 292.335 2.397 20 5 CEBDRO CC1=NO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000895302957 630094619 /nfs/dbraw/zinc/09/46/19/630094619.db2.gz XYPYRFHYNIILMM-LBPRGKRZSA-N 1 0 263.297 2.158 20 5 CEBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524964 630589091 /nfs/dbraw/zinc/58/90/91/630589091.db2.gz ZWCKPAKFSJXYNU-NSHDSACASA-N 1 0 297.380 2.322 20 5 CEBDRO C[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCO1 ZINC000896923036 630810132 /nfs/dbraw/zinc/81/01/32/630810132.db2.gz FAYIPFMEGRHJOW-ORHYLEIMSA-N 1 0 294.355 2.044 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ccccc2[N+](=O)[O-])CC1 ZINC000897136397 630958661 /nfs/dbraw/zinc/95/86/61/630958661.db2.gz BAOYARFRICWCJQ-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526815 631282779 /nfs/dbraw/zinc/28/27/79/631282779.db2.gz XXSFVLOFCQMGAR-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801546299 631286649 /nfs/dbraw/zinc/28/66/49/631286649.db2.gz JBJGTNGTOZVJHX-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461743 631531658 /nfs/dbraw/zinc/53/16/58/631531658.db2.gz WURPFAFGHQCJPQ-UTUOFQBUSA-N 1 0 264.325 2.465 20 5 CEBDRO C[C@H](C[NH2+]C1CSC1)c1ccccc1[N+](=O)[O-] ZINC000897465750 631532002 /nfs/dbraw/zinc/53/20/02/631532002.db2.gz HPEMDCGHZBLVQZ-SECBINFHSA-N 1 0 252.339 2.403 20 5 CEBDRO CCn1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897464837 631532268 /nfs/dbraw/zinc/53/22/68/631532268.db2.gz PEVGJAJZKOLSAE-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897679835 631863438 /nfs/dbraw/zinc/86/34/38/631863438.db2.gz CUPQLVHPRUGKAN-BXVLGRBHSA-N 1 0 276.336 2.311 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897823450 631932794 /nfs/dbraw/zinc/93/27/94/631932794.db2.gz YJDPNUAOPHWZGV-NXJBCDPRSA-N 1 0 286.331 2.373 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898183873 632098727 /nfs/dbraw/zinc/09/87/27/632098727.db2.gz OYAPOAGVTBPWJJ-JSGCOSHPSA-N 1 0 282.315 2.116 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@H](C3CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000840188920 632156941 /nfs/dbraw/zinc/15/69/41/632156941.db2.gz NPJWLJODJTUCGI-ZDUSSCGKSA-N 1 0 278.356 2.488 20 5 CEBDRO C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000814042133 632779861 /nfs/dbraw/zinc/77/98/61/632779861.db2.gz GVTIBHMPBVYKKU-GFCCVEGCSA-N 1 0 292.335 2.104 20 5 CEBDRO CC[C@H]1CN(C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000814937552 632936439 /nfs/dbraw/zinc/93/64/39/632936439.db2.gz KVZLKILWXVXTFU-VIFPVBQESA-N 1 0 285.294 2.403 20 5 CEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N+](=O)[O-])CC3 ZINC000905201442 635877430 /nfs/dbraw/zinc/87/74/30/635877430.db2.gz JLOYUYXXLQPWSY-LLVKDONJSA-N 1 0 273.336 2.200 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906877 633766269 /nfs/dbraw/zinc/76/62/69/633766269.db2.gz FZDCYHRFDOQCQY-BDAKNGLRSA-N 1 0 271.748 2.464 20 5 CEBDRO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981234 633824595 /nfs/dbraw/zinc/82/45/95/633824595.db2.gz HSALWHQADPTNMD-QMTHXVAHSA-N 1 0 292.383 2.345 20 5 CEBDRO Cc1csc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818948837 634014220 /nfs/dbraw/zinc/01/42/20/634014220.db2.gz FYIXMCSYXOLLEO-GFCCVEGCSA-N 1 0 293.348 2.183 20 5 CEBDRO Cc1cnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819109244 634070001 /nfs/dbraw/zinc/07/00/01/634070001.db2.gz JCANCNGBCQYMRX-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155658 634087447 /nfs/dbraw/zinc/08/74/47/634087447.db2.gz ORJKTVMTKWANMX-TYNCELHUSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)cc1 ZINC000819281516 634126698 /nfs/dbraw/zinc/12/66/98/634126698.db2.gz VPLOVGRKOLVXCY-MJBXVCDLSA-N 1 0 262.309 2.016 20 5 CEBDRO CC/C=C/C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344784 634148140 /nfs/dbraw/zinc/14/81/40/634148140.db2.gz NRYADSVLYLSRTQ-ITDFMYJTSA-N 1 0 250.298 2.184 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000819371621 634160650 /nfs/dbraw/zinc/16/06/50/634160650.db2.gz MIWOWUUUYVCPOT-NDPMZMCLSA-N 1 0 294.351 2.031 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCCO)cc([N+](=O)[O-])c1 ZINC000903109649 634973198 /nfs/dbraw/zinc/97/31/98/634973198.db2.gz HCIBTZBRIDUSDA-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153893 634991479 /nfs/dbraw/zinc/99/14/79/634991479.db2.gz PJKVJZFDKNJRHX-FZZIBODNSA-N 1 0 294.351 2.413 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903151034 634996703 /nfs/dbraw/zinc/99/67/03/634996703.db2.gz AKSCIRKMDQBGDS-JTQLQIEISA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903224354 635024237 /nfs/dbraw/zinc/02/42/37/635024237.db2.gz UWQORIMQBSRMPQ-ZIBATOQPSA-N 1 0 293.367 2.347 20 5 CEBDRO Cc1cc(-c2noc(CC3(C[NH3+])CC3)n2)cc([N+](=O)[O-])c1 ZINC000823269074 635118712 /nfs/dbraw/zinc/11/87/12/635118712.db2.gz CJRZMTBRRIWGHV-UHFFFAOYSA-N 1 0 288.307 2.235 20 5 CEBDRO Cc1cc(-c2noc([C@@H]3CC[NH2+][C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000823269620 635119122 /nfs/dbraw/zinc/11/91/22/635119122.db2.gz JJTTXVINXSXRNT-BXKDBHETSA-N 1 0 288.307 2.419 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269249 635119334 /nfs/dbraw/zinc/11/93/34/635119334.db2.gz FRIQDVAIEJSMGJ-SFYZADRCSA-N 1 0 278.268 2.093 20 5 CEBDRO CC(C)c1ccc(CN[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903960655 635370612 /nfs/dbraw/zinc/37/06/12/635370612.db2.gz TWLCZQFLFWLUNE-BXUZGUMPSA-N 1 0 277.368 2.416 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000903968191 635400733 /nfs/dbraw/zinc/40/07/33/635400733.db2.gz RLZKSZBENVGWKU-KOLCDFICSA-N 1 0 283.759 2.193 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000904277962 635548764 /nfs/dbraw/zinc/54/87/64/635548764.db2.gz QQLCSNONKZGLEX-GFCCVEGCSA-N 1 0 292.339 2.023 20 5 CEBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905138195 635842470 /nfs/dbraw/zinc/84/24/70/635842470.db2.gz XDQRCTDSLFSEQO-UHFFFAOYSA-N 1 0 280.324 2.008 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000905178746 635851447 /nfs/dbraw/zinc/85/14/47/635851447.db2.gz DFPQSDAUIKRCRW-UHFFFAOYSA-N 1 0 292.257 2.132 20 5 CEBDRO COc1ccc2ccccc2c1CC[NH2+]CC[N+](=O)[O-] ZINC000905561590 636325515 /nfs/dbraw/zinc/32/55/15/636325515.db2.gz RUQLZMWFYGRARS-UHFFFAOYSA-N 1 0 274.320 2.257 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876545403 650316572 /nfs/dbraw/zinc/31/65/72/650316572.db2.gz LNHXBSNSGIRXPC-HIFRSBDPSA-N 1 0 289.335 2.374 20 5 CEBDRO C[NH+](C)CCCOC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028080 637847090 /nfs/dbraw/zinc/84/70/90/637847090.db2.gz PIVQIJBSJHQBLZ-ZIAGYGMSSA-N 1 0 292.335 2.193 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000912594534 638737345 /nfs/dbraw/zinc/73/73/45/638737345.db2.gz PYWSSLOLAWCNTH-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876823400 650446935 /nfs/dbraw/zinc/44/69/35/650446935.db2.gz IJUYNNFCOZYAKD-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876852214 650458815 /nfs/dbraw/zinc/45/88/15/650458815.db2.gz SMSROUOOYXDCDH-BONVTDFDSA-N 1 0 299.330 2.310 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)CC(C)C)cccc1[N+](=O)[O-] ZINC000226110822 639524265 /nfs/dbraw/zinc/52/42/65/639524265.db2.gz IJOIRWWYUVVURG-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1occc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876961912 650508465 /nfs/dbraw/zinc/50/84/65/650508465.db2.gz LCBCMSOUOBXKAS-UHFFFAOYSA-N 1 0 276.296 2.186 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000228108589 639617918 /nfs/dbraw/zinc/61/79/18/639617918.db2.gz GMKHNSNJJRBJOS-UWVGGRQHSA-N 1 0 252.314 2.152 20 5 CEBDRO [NH3+][C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841051952 639632931 /nfs/dbraw/zinc/63/29/31/639632931.db2.gz WNFLEKNTWWJROJ-LLVKDONJSA-N 1 0 269.732 2.075 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061446 639637686 /nfs/dbraw/zinc/63/76/86/639637686.db2.gz JIEJOXUZCIWWFX-SKDRFNHKSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1c(-c2nc(C3CC[NH2+]CC3)no2)cccc1[N+](=O)[O-] ZINC000228559718 639644226 /nfs/dbraw/zinc/64/42/26/639644226.db2.gz ITFINFWPPGJKQQ-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000229027154 639672488 /nfs/dbraw/zinc/67/24/88/639672488.db2.gz NVOZUESSBPBYTJ-LLVKDONJSA-N 1 0 293.367 2.296 20 5 CEBDRO C[C@H]1COC[C@H](C)C1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925383783 640022615 /nfs/dbraw/zinc/02/26/15/640022615.db2.gz WXTOZYKJJSXLRE-RYUDHWBXSA-N 1 0 294.351 2.234 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842475195 640073665 /nfs/dbraw/zinc/07/36/65/640073665.db2.gz LHXNGWKZYZJAAK-GFCCVEGCSA-N 1 0 269.320 2.197 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476182 640075872 /nfs/dbraw/zinc/07/58/72/640075872.db2.gz ISCCHAHKYZBXAK-ZDUSSCGKSA-N 1 0 281.331 2.212 20 5 CEBDRO Cc1ccc(-c2noc(C[NH2+]CC3CC3)n2)cc1[N+](=O)[O-] ZINC000843178634 640329089 /nfs/dbraw/zinc/32/90/89/640329089.db2.gz IKWYJLVEZPWRFV-UHFFFAOYSA-N 1 0 288.307 2.453 20 5 CEBDRO Cc1ccc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)cc1[N+](=O)[O-] ZINC000843178869 640330155 /nfs/dbraw/zinc/33/01/55/640330155.db2.gz OFIGJADDNWEHMW-LLVKDONJSA-N 1 0 288.307 2.233 20 5 CEBDRO Cc1ccc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000843178890 640330214 /nfs/dbraw/zinc/33/02/14/640330214.db2.gz PIBKYOZBMIYGAZ-AOOOYVTPSA-N 1 0 274.280 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+](C)C)C2)n1 ZINC000765483437 640603510 /nfs/dbraw/zinc/60/35/10/640603510.db2.gz SJHYBRDHTJYIDA-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC1(C)C[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000232875258 640859025 /nfs/dbraw/zinc/85/90/25/640859025.db2.gz HEQSURRMTBUKHN-AAEUAGOBSA-N 1 0 264.325 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC[C@H](C4CC4)[NH2+]3)n2)o1 ZINC000844921073 640866410 /nfs/dbraw/zinc/86/64/10/640866410.db2.gz XGXXNDAVXDZWFL-RKDXNWHRSA-N 1 0 290.279 2.441 20 5 CEBDRO Cc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174847643 640902353 /nfs/dbraw/zinc/90/23/53/640902353.db2.gz YFILRPJKWZFPHN-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@H](C)CC2)c(C)c1[N+](=O)[O-] ZINC000194623950 640957022 /nfs/dbraw/zinc/95/70/22/640957022.db2.gz BEKMVXVBTMVGGT-JTQLQIEISA-N 1 0 266.345 2.488 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000070142643 641636006 /nfs/dbraw/zinc/63/60/06/641636006.db2.gz GOAKGALSPBIDAI-GFCCVEGCSA-N 1 0 262.265 2.011 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000771822266 642226931 /nfs/dbraw/zinc/22/69/31/642226931.db2.gz WQFZOMWBYUUNMA-NSHDSACASA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000877528020 650768097 /nfs/dbraw/zinc/76/80/97/650768097.db2.gz RBAXNLQNBUOMNV-OAHLLOKOSA-N 1 0 278.352 2.414 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC(Nc3cc4c(c[nH+]3)CCC4)C2)c1 ZINC000877553367 650784213 /nfs/dbraw/zinc/78/42/13/650784213.db2.gz PISRJNZEBOEMLY-UHFFFAOYSA-N 1 0 299.334 2.491 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC[C@H]3F)C2)c1 ZINC000877589009 650803496 /nfs/dbraw/zinc/80/34/96/650803496.db2.gz FGWLCSYWEKBRBG-IOCWDNCASA-N 1 0 282.319 2.365 20 5 CEBDRO CO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)C ZINC000877593243 650805087 /nfs/dbraw/zinc/80/50/87/650805087.db2.gz QTXPLDQVXVGWPT-ORHYLEIMSA-N 1 0 296.371 2.146 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877596124 650807587 /nfs/dbraw/zinc/80/75/87/650807587.db2.gz NJBUZKHHMWNBPD-NPZBDFSRSA-N 1 0 294.355 2.042 20 5 CEBDRO CC(C)O[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000922609636 643161345 /nfs/dbraw/zinc/16/13/45/643161345.db2.gz LBDVNXXATHRVSP-HNNXBMFYSA-N 1 0 294.351 2.269 20 5 CEBDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000922826322 643277713 /nfs/dbraw/zinc/27/77/13/643277713.db2.gz XLBDJJPGTFAQBE-GFCCVEGCSA-N 1 0 282.340 2.244 20 5 CEBDRO CC[C@H](C(=O)OCc1onc(C)c1[N+](=O)[O-])[NH+](CC)CC ZINC000853899450 643936762 /nfs/dbraw/zinc/93/67/62/643936762.db2.gz MNLIIPQQXAOEBV-SNVBAGLBSA-N 1 0 299.327 2.055 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000877742625 650886826 /nfs/dbraw/zinc/88/68/26/650886826.db2.gz FSCQYSVPKAFWNU-KBPBESRZSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877743431 650888701 /nfs/dbraw/zinc/88/87/01/650888701.db2.gz KNMMWISUIDGJCD-GJZGRUSLSA-N 1 0 289.379 2.429 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000788138313 644195064 /nfs/dbraw/zinc/19/50/64/644195064.db2.gz ZOVPWOYCUBKMBM-NWDGAFQWSA-N 1 0 290.319 2.378 20 5 CEBDRO CCC(CC)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000877832785 650926544 /nfs/dbraw/zinc/92/65/44/650926544.db2.gz QYFHBNBYDCFVMQ-HUUCEWRRSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)(CO)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527595 645294442 /nfs/dbraw/zinc/29/44/42/645294442.db2.gz KTEYDMNBKNDXSR-UHFFFAOYSA-N 1 0 272.732 2.356 20 5 CEBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000862464910 646468367 /nfs/dbraw/zinc/46/83/67/646468367.db2.gz BIJPDAQLOPZQSY-CYBMUJFWSA-N 1 0 290.319 2.255 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)C1CC1 ZINC000771805803 646552816 /nfs/dbraw/zinc/55/28/16/646552816.db2.gz VEONRUVUJMUSMK-NSHDSACASA-N 1 0 270.716 2.109 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000773489377 646746274 /nfs/dbraw/zinc/74/62/74/646746274.db2.gz WAXAMDQCLGZWAM-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000863563091 646757013 /nfs/dbraw/zinc/75/70/13/646757013.db2.gz MGBUVRJOPCKFHX-WFASDCNBSA-N 1 0 294.351 2.035 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000863923015 646851098 /nfs/dbraw/zinc/85/10/98/646851098.db2.gz IYYNYGRYPJINAD-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000774537471 646859568 /nfs/dbraw/zinc/85/95/68/646859568.db2.gz UBIGBLZTJAEWFE-KGLIPLIRSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000775596214 646970875 /nfs/dbraw/zinc/97/08/75/646970875.db2.gz CXNYNPZTWAOAGC-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000864460695 647015251 /nfs/dbraw/zinc/01/52/51/647015251.db2.gz ZDFMDVVPUDDTBB-RDDDGLTNSA-N 1 0 282.731 2.271 20 5 CEBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776585628 647074454 /nfs/dbraw/zinc/07/44/54/647074454.db2.gz YIVKWOWMTGQCAC-AWEZNQCLSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863402 647366578 /nfs/dbraw/zinc/36/65/78/647366578.db2.gz OQJKOONOFXUGGX-MWLCHTKSSA-N 1 0 252.318 2.178 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000866206025 647669945 /nfs/dbraw/zinc/66/99/45/647669945.db2.gz IIHDJLYOQQJGDW-BXUZGUMPSA-N 1 0 261.325 2.125 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866213376 647675499 /nfs/dbraw/zinc/67/54/99/647675499.db2.gz PVXKECJFCDAULC-UWVGGRQHSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H](C)O ZINC000866334573 647740726 /nfs/dbraw/zinc/74/07/26/647740726.db2.gz BEKPIAYXZUUZKE-AXFHLTTASA-N 1 0 284.331 2.414 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CO[C@@H](C)C1 ZINC000866382361 647765624 /nfs/dbraw/zinc/76/56/24/647765624.db2.gz WSBAAYUHPNQLOK-GBIKHYSHSA-N 1 0 282.315 2.432 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866682307 647867603 /nfs/dbraw/zinc/86/76/03/647867603.db2.gz HXCDWHBDLPSQMY-WPRPVWTQSA-N 1 0 269.732 2.170 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000866699937 647873274 /nfs/dbraw/zinc/87/32/74/647873274.db2.gz REYXRVMQAFILMG-UHFFFAOYSA-N 1 0 281.331 2.308 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NCCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000867945642 647997214 /nfs/dbraw/zinc/99/72/14/647997214.db2.gz ZGGXXAVNJRQHEK-HNNXBMFYSA-N 1 0 291.351 2.075 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000867947941 647997925 /nfs/dbraw/zinc/99/79/25/647997925.db2.gz MSMWRZDADNXFNA-HNNXBMFYSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867996372 648015524 /nfs/dbraw/zinc/01/55/24/648015524.db2.gz ZEQLPXVMTRSFBZ-RISCZKNCSA-N 1 0 293.367 2.139 20 5 CEBDRO C[C@H](N[C@H]1CC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035568 649249493 /nfs/dbraw/zinc/24/94/93/649249493.db2.gz XDQJXYUNQXNQAJ-UWVGGRQHSA-N 1 0 267.304 2.089 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872061080 649257721 /nfs/dbraw/zinc/25/77/21/649257721.db2.gz VXRUAGXMTFNZAN-QMMMGPOBSA-N 1 0 293.302 2.054 20 5 CEBDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079999 649265709 /nfs/dbraw/zinc/26/57/09/649265709.db2.gz MCUPALFIYRMEAQ-VIFPVBQESA-N 1 0 295.314 2.040 20 5 CEBDRO Cc1ccc(NC(=O)CCCCC[NH3+])cc1[N+](=O)[O-] ZINC000019515583 649401396 /nfs/dbraw/zinc/40/13/96/649401396.db2.gz IBRWWFUGBWCRPR-UHFFFAOYSA-N 1 0 265.313 2.361 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779808 649486670 /nfs/dbraw/zinc/48/66/70/649486670.db2.gz IKZZUNRGBXKJJF-GHMZBOCLSA-N 1 0 296.758 2.316 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780327 649487323 /nfs/dbraw/zinc/48/73/23/649487323.db2.gz XVBCKBPPDOVTAB-KGLIPLIRSA-N 1 0 279.315 2.407 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780328 649487677 /nfs/dbraw/zinc/48/76/77/649487677.db2.gz XVBCKBPPDOVTAB-UONOGXRCSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1cccn1 ZINC000873020520 649533401 /nfs/dbraw/zinc/53/34/01/649533401.db2.gz VFMUGRIKTWQVHS-UHFFFAOYSA-N 1 0 274.324 2.198 20 5 CEBDRO Cc1c(C[NH2+]CCOC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873050519 649544284 /nfs/dbraw/zinc/54/42/84/649544284.db2.gz PGDQQCNICJJWRJ-CQSZACIVSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1c(C[NH2+]C[C@](C)(O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873062431 649547622 /nfs/dbraw/zinc/54/76/22/649547622.db2.gz QUNIAPSDDBSITN-HNNXBMFYSA-N 1 0 290.319 2.494 20 5 CEBDRO Cc1c(C[NH2+]CCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000873066176 649549105 /nfs/dbraw/zinc/54/91/05/649549105.db2.gz ZRTRPDFVLILLGJ-LBPRGKRZSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074109 649551532 /nfs/dbraw/zinc/55/15/32/649551532.db2.gz IXLMOJSQKQIMRC-SMDDNHRTSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873178175 649579807 /nfs/dbraw/zinc/57/98/07/649579807.db2.gz OGWVTFLOSBKAPT-HAQNSBGRSA-N 1 0 264.325 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(C[NH3+])CC1 ZINC000873298884 649633242 /nfs/dbraw/zinc/63/32/42/649633242.db2.gz MIHHSMXJXMRKTM-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873320502 649637080 /nfs/dbraw/zinc/63/70/80/649637080.db2.gz XDBJBQGZIZYCEH-OCCSQVGLSA-N 1 0 290.323 2.001 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@]12C[C@@H]1CCCC2 ZINC000879262755 651272838 /nfs/dbraw/zinc/27/28/38/651272838.db2.gz DLIJFMFTZCVEKZ-SGMGOOAPSA-N 1 0 278.356 2.350 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000879684166 651338824 /nfs/dbraw/zinc/33/88/24/651338824.db2.gz GLTLSHOESDWDJQ-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO CCC1(CC)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000880095871 651383980 /nfs/dbraw/zinc/38/39/80/651383980.db2.gz RWTNDJNFZNNSIV-UHFFFAOYSA-N 1 0 266.345 2.446 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881851027 651901227 /nfs/dbraw/zinc/90/12/27/651901227.db2.gz BAGDYPWFBSYQSI-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000882172079 651989096 /nfs/dbraw/zinc/98/90/96/651989096.db2.gz UHLAINSNPMJVSC-LBPRGKRZSA-N 1 0 291.351 2.185 20 5 CEBDRO C[NH+](C)C1(CNc2ccnc(F)c2[N+](=O)[O-])CCC1 ZINC000882238743 652006932 /nfs/dbraw/zinc/00/69/32/652006932.db2.gz PECLKOVKEBDVSY-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356953 652441054 /nfs/dbraw/zinc/44/10/54/652441054.db2.gz ZIMFQRPXIIOVDS-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000883360783 652443424 /nfs/dbraw/zinc/44/34/24/652443424.db2.gz KEEJUXZGOWPNQB-VSKVDJIOSA-N 1 0 275.352 2.292 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000884267436 652774323 /nfs/dbraw/zinc/77/43/23/652774323.db2.gz FWMLALAQZQWDJT-RYUDHWBXSA-N 1 0 291.351 2.211 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000134308801 652813489 /nfs/dbraw/zinc/81/34/89/652813489.db2.gz VCWXTXJWAKOPOT-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000884468826 652866114 /nfs/dbraw/zinc/86/61/14/652866114.db2.gz NHVRFJZEUIKRBZ-ZDUSSCGKSA-N 1 0 293.367 2.154 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)nn1 ZINC001228993929 806384002 /nfs/dbraw/zinc/38/40/02/806384002.db2.gz YCKQGJIAKRMFLB-ZETCQYMHSA-N 1 0 265.164 2.257 20 5 CEBDRO [NH3+]Cc1cnn(-c2cc3ccccc3c([N+](=O)[O-])c2)c1 ZINC001168261182 806450421 /nfs/dbraw/zinc/45/04/21/806450421.db2.gz LETFSPBZRKRGEC-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO Cc1cc(Cl)c(-n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168261490 806452469 /nfs/dbraw/zinc/45/24/69/806452469.db2.gz LPXCBUICTGJTKW-UHFFFAOYSA-N 1 0 266.688 2.201 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000300135407 806471365 /nfs/dbraw/zinc/47/13/65/806471365.db2.gz RXMJHKRDKBPAHL-BPLDGKMQSA-N 1 0 294.351 2.185 20 5 CEBDRO COC(=O)c1ccc(C)cc1CO[C@@H](C)C[N+](C)(C)C ZINC001224202741 806684834 /nfs/dbraw/zinc/68/48/34/806684834.db2.gz CWVYUSIJKWQDRZ-ZDUSSCGKSA-N 1 0 280.388 2.393 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621347 806870427 /nfs/dbraw/zinc/87/04/27/806870427.db2.gz RNIARFBAPYRERO-KGLIPLIRSA-N 1 0 272.409 2.221 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC001167099479 802476785 /nfs/dbraw/zinc/47/67/85/802476785.db2.gz YAZRKLAJNTUNHK-UHFFFAOYSA-N 1 0 289.339 2.129 20 5 CEBDRO CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266662207 802819729 /nfs/dbraw/zinc/81/97/29/802819729.db2.gz CWGKGXNXUCZXOF-BETUJISGSA-N 1 0 291.351 2.132 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC001117752666 814943979 /nfs/dbraw/zinc/94/39/79/814943979.db2.gz NAQZKYZSKRNJRO-QWHCGFSZSA-N 1 0 299.415 2.153 20 5 CEBDRO CC1(C)C[C@H](Oc2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218474052 803619732 /nfs/dbraw/zinc/61/97/32/803619732.db2.gz BARUHVRALJIXSY-SNVBAGLBSA-N 1 0 265.313 2.086 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261642384 804608810 /nfs/dbraw/zinc/60/88/10/804608810.db2.gz AJYSVFAFCHRUAR-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cnc(NCC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000710373927 804996092 /nfs/dbraw/zinc/99/60/92/804996092.db2.gz QATXRSOODUKTJC-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c(F)c1 ZINC001225942741 805385271 /nfs/dbraw/zinc/38/52/71/805385271.db2.gz VKMWVHMBMOECSF-ZDUSSCGKSA-N 1 0 266.272 2.207 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1cc2cccnc2c2ncccc12 ZINC001168418329 807260257 /nfs/dbraw/zinc/26/02/57/807260257.db2.gz ZCQFRQUMEJLXTP-UHFFFAOYSA-N 1 0 288.314 2.253 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001171447380 815117563 /nfs/dbraw/zinc/11/75/63/815117563.db2.gz COXQQVRLOLJWIX-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000721970613 807540525 /nfs/dbraw/zinc/54/05/25/807540525.db2.gz DEXHZYOACANPPA-MRVPVSSYSA-N 1 0 293.352 2.009 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000699439194 807706019 /nfs/dbraw/zinc/70/60/19/807706019.db2.gz OFGQZQDMLMOBHS-JSGCOSHPSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H](C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001119855015 815165600 /nfs/dbraw/zinc/16/56/00/815165600.db2.gz KZSMYVXXGGDGTP-SNVBAGLBSA-N 1 0 264.329 2.227 20 5 CEBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000691859960 808206102 /nfs/dbraw/zinc/20/61/02/808206102.db2.gz XDVFPZYFLLTFCE-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO CCC1(Nc2cc([N+](=O)[O-])cc(C)c2F)C[NH2+]C1 ZINC001168581997 808667554 /nfs/dbraw/zinc/66/75/54/808667554.db2.gz CZWRHIJGZMMNLW-UHFFFAOYSA-N 1 0 253.277 2.206 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000702065019 809491486 /nfs/dbraw/zinc/49/14/86/809491486.db2.gz ULBWDGRMZIPJTC-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000703593954 809667902 /nfs/dbraw/zinc/66/79/02/809667902.db2.gz APPVQJHNIWHNHF-TVQRCGJNSA-N 1 0 281.743 2.294 20 5 CEBDRO CC1(O)CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000705970420 809800136 /nfs/dbraw/zinc/80/01/36/809800136.db2.gz MIQNQBAWPHDZCY-UHFFFAOYSA-N 1 0 270.354 2.440 20 5 CEBDRO CCN(CCC[NH+](C)C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001119955090 810564550 /nfs/dbraw/zinc/56/45/50/810564550.db2.gz WUNIHDQZPSLKKU-UHFFFAOYSA-N 1 0 296.327 2.281 20 5 CEBDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168976214 811305811 /nfs/dbraw/zinc/30/58/11/811305811.db2.gz ZQHDMDOLQUDGGA-WCQYABFASA-N 1 0 279.340 2.015 20 5 CEBDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977790 811307240 /nfs/dbraw/zinc/30/72/40/811307240.db2.gz LYCHQZMZIZSUOK-AVGNSLFASA-N 1 0 263.341 2.486 20 5 CEBDRO Cc1ncn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1CSCC[NH3+] ZINC001168979702 811309023 /nfs/dbraw/zinc/30/90/23/811309023.db2.gz ZLTDJZNXTYFWEK-NWDGAFQWSA-N 1 0 298.412 2.001 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001168981930 811309214 /nfs/dbraw/zinc/30/92/14/811309214.db2.gz HROJEVZCEYTHPJ-STQMWFEESA-N 1 0 275.352 2.148 20 5 CEBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168984445 811310501 /nfs/dbraw/zinc/31/05/01/811310501.db2.gz OAJYTMLSVPFQFW-ZFWWWQNUSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccc(F)cc32)C1 ZINC001168984666 811310968 /nfs/dbraw/zinc/31/09/68/811310968.db2.gz PQJHSZIPXJQRNT-CDMKHQONSA-N 1 0 280.299 2.294 20 5 CEBDRO C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985396 811310980 /nfs/dbraw/zinc/31/09/80/811310980.db2.gz DXSBCJWWZRGHQA-RDBSUJKOSA-N 1 0 278.352 2.489 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnc2ccccn21 ZINC001168956248 811311978 /nfs/dbraw/zinc/31/19/78/811311978.db2.gz AMMAOBLVZMHRDV-FRRDWIJNSA-N 1 0 288.351 2.430 20 5 CEBDRO CC(C)N(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956535 811312346 /nfs/dbraw/zinc/31/23/46/811312346.db2.gz BMRUXEXKDFWRRM-KGLIPLIRSA-N 1 0 271.405 2.140 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001168958507 811312612 /nfs/dbraw/zinc/31/26/12/811312612.db2.gz NQPHINRBUNYLTN-CABZTGNLSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC001168965907 811317145 /nfs/dbraw/zinc/31/71/45/811317145.db2.gz DHVUAMTVOMQRJA-XBFCOCLRSA-N 1 0 276.336 2.025 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC001168966851 811319467 /nfs/dbraw/zinc/31/94/67/811319467.db2.gz LQOGFZBICVHESE-YPMHNXCESA-N 1 0 282.315 2.240 20 5 CEBDRO CN(C)[C@H](C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968345 811320358 /nfs/dbraw/zinc/32/03/58/811320358.db2.gz XWVXYFCEQZNXII-CWRNSKLLSA-N 1 0 291.395 2.324 20 5 CEBDRO Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169002018 811328942 /nfs/dbraw/zinc/32/89/42/811328942.db2.gz JEZNOZYYRAZIRL-BPLDGKMQSA-N 1 0 278.352 2.063 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cnccc32)C1 ZINC001169004439 811329888 /nfs/dbraw/zinc/32/98/88/811329888.db2.gz QYDGZWKRUHUPMJ-KYOSRNDESA-N 1 0 275.352 2.494 20 5 CEBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001169006201 811332464 /nfs/dbraw/zinc/33/24/64/811332464.db2.gz WNMFIHLIOHZFKO-GXTWGEPZSA-N 1 0 288.351 2.108 20 5 CEBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169011988 811333531 /nfs/dbraw/zinc/33/35/31/811333531.db2.gz OKGRCPACKHZNKJ-QCNOEVLYSA-N 1 0 262.300 2.204 20 5 CEBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010955 811334735 /nfs/dbraw/zinc/33/47/35/811334735.db2.gz GOSNBBCUHVSZMP-BFHYXJOUSA-N 1 0 298.383 2.097 20 5 CEBDRO COCc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168991315 811338618 /nfs/dbraw/zinc/33/86/18/811338618.db2.gz GHPZRIIRLQWSCV-LSDHHAIUSA-N 1 0 278.352 2.368 20 5 CEBDRO COCCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169027510 811342778 /nfs/dbraw/zinc/34/27/78/811342778.db2.gz QRCQAFHDJMJXPK-ZIAGYGMSSA-N 1 0 270.373 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001169033325 811343634 /nfs/dbraw/zinc/34/36/34/811343634.db2.gz BYNMQGACBINMHT-MXWKQRLJSA-N 1 0 260.284 2.163 20 5 CEBDRO Cc1nc2c(s1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169033656 811345336 /nfs/dbraw/zinc/34/53/36/811345336.db2.gz CZLWFXSSDQGZNH-GHMZBOCLSA-N 1 0 281.381 2.255 20 5 CEBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169038209 811347813 /nfs/dbraw/zinc/34/78/13/811347813.db2.gz WYEXXXVOWBRFGO-RFGFWPKPSA-N 1 0 298.383 2.095 20 5 CEBDRO C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052547 811356546 /nfs/dbraw/zinc/35/65/46/811356546.db2.gz HDIQQQHQNWKEMP-SNPRPXQTSA-N 1 0 290.363 2.367 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001169057714 811358906 /nfs/dbraw/zinc/35/89/06/811358906.db2.gz XEJFXFRCHQJDSC-JOYOIKCWSA-N 1 0 281.743 2.496 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001169232039 811445653 /nfs/dbraw/zinc/44/56/53/811445653.db2.gz ZIJAZMAKGLFZRI-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])c1 ZINC001169725685 811628166 /nfs/dbraw/zinc/62/81/66/811628166.db2.gz KFMMBBUONYHNES-UHFFFAOYSA-N 1 0 253.208 2.122 20 5 CEBDRO C[NH2+]CCNc1ccc2ccc3cccnc3c2n1 ZINC001156892201 811940733 /nfs/dbraw/zinc/94/07/33/811940733.db2.gz PVDKNLVBVKPMLW-UHFFFAOYSA-N 1 0 252.321 2.414 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1-n1nnc2ccc(C[NH3+])cc21 ZINC001170024380 811956810 /nfs/dbraw/zinc/95/68/10/811956810.db2.gz WBLRQLBMWBKYEN-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO Cc1c(NCC2C[NH+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001170254483 812373522 /nfs/dbraw/zinc/37/35/22/812373522.db2.gz MRKVUTNYOYMWOV-UHFFFAOYSA-N 1 0 253.277 2.016 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001170290385 812384149 /nfs/dbraw/zinc/38/41/49/812384149.db2.gz BBGYVYDHOCMDPA-BXUZGUMPSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170326687 812387177 /nfs/dbraw/zinc/38/71/77/812387177.db2.gz BOSUDRFVAMCADG-LEWSCRJBSA-N 1 0 293.367 2.004 20 5 CEBDRO CC(C)(CN)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899007 815539421 /nfs/dbraw/zinc/53/94/21/815539421.db2.gz KKQOOAFJAZXVLV-ZDUSSCGKSA-N 1 0 277.368 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cnccn1)CC2 ZINC001172897834 815539430 /nfs/dbraw/zinc/53/94/30/815539430.db2.gz CCRDEUMOCYZGIQ-CQSZACIVSA-N 1 0 298.346 2.422 20 5 CEBDRO C[C@H](CCO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898780 815539494 /nfs/dbraw/zinc/53/94/94/815539494.db2.gz JGLCAKUPZNKKMB-BXUZGUMPSA-N 1 0 278.352 2.203 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897645 815539789 /nfs/dbraw/zinc/53/97/89/815539789.db2.gz BWCYRJHQEPAAMR-SWLSCSKDSA-N 1 0 291.395 2.382 20 5 CEBDRO O=C1CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902159 815540821 /nfs/dbraw/zinc/54/08/21/815540821.db2.gz WFMPPBJVVCDWER-CQSZACIVSA-N 1 0 288.347 2.411 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908122 815541055 /nfs/dbraw/zinc/54/10/55/815541055.db2.gz KZIUIJUMUXDSJJ-XFJVYGCCSA-N 1 0 290.363 2.297 20 5 CEBDRO CCC(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133164252 813004123 /nfs/dbraw/zinc/00/41/23/813004123.db2.gz UYZFXQPWLSSMKE-UHFFFAOYSA-N 1 0 299.396 2.298 20 5 CEBDRO [NH3+]C/C=C/CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001160977455 814303785 /nfs/dbraw/zinc/30/37/85/814303785.db2.gz XSQLOSACEWJXTJ-OWOJBTEDSA-N 1 0 258.281 2.070 20 5 CEBDRO CN1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712581452 814753134 /nfs/dbraw/zinc/75/31/34/814753134.db2.gz MVFWXFFYNHHOMA-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712567496 814767109 /nfs/dbraw/zinc/76/71/09/814767109.db2.gz YDECJRIMFDTHMM-WCQYABFASA-N 1 0 263.341 2.258 20 5 CEBDRO [NH3+]CCCN(Cc1csc([N+](=O)[O-])c1)CC(F)(F)F ZINC000714344682 814895921 /nfs/dbraw/zinc/89/59/21/814895921.db2.gz OHXRFMRCGPCFCJ-UHFFFAOYSA-N 1 0 297.302 2.369 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC12COC2 ZINC001173228456 815631246 /nfs/dbraw/zinc/63/12/46/815631246.db2.gz XDLQRHOMRMQHQT-LBPRGKRZSA-N 1 0 276.336 2.391 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCOC1 ZINC001173227088 815631389 /nfs/dbraw/zinc/63/13/89/815631389.db2.gz NWACVQUHGFCEAU-SMDDNHRTSA-N 1 0 264.325 2.247 20 5 CEBDRO CC(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173233554 815632042 /nfs/dbraw/zinc/63/20/42/815632042.db2.gz JOEMCYNQEQUMFI-SMDDNHRTSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001173233934 815632682 /nfs/dbraw/zinc/63/26/82/815632682.db2.gz LTHUZKHVUXPWJV-OSAQELSMSA-N 1 0 278.352 2.419 20 5 CEBDRO COC(=O)CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211656 815635111 /nfs/dbraw/zinc/63/51/11/815635111.db2.gz URAHTSSNGXRDLG-NSHDSACASA-N 1 0 280.324 2.069 20 5 CEBDRO CC(C)[C@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208720 815635267 /nfs/dbraw/zinc/63/52/67/815635267.db2.gz AXXZDCZFCWLGPI-RISCZKNCSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccncn1 ZINC001173213922 815636619 /nfs/dbraw/zinc/63/66/19/815636619.db2.gz MBNHUBBXVCQEOH-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001173214264 815637342 /nfs/dbraw/zinc/63/73/42/815637342.db2.gz AFFQBVSQSJEXCC-DFBGVHRSSA-N 1 0 278.352 2.419 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](c3cnccn3)C2)cs1 ZINC001176516755 816432871 /nfs/dbraw/zinc/43/28/71/816432871.db2.gz SOLWNLZXDLXMQE-LLVKDONJSA-N 1 0 290.348 2.436 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC000124502502 187139889 /nfs/dbraw/zinc/13/98/89/187139889.db2.gz OEZISIJMQRFVNK-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298502 346815339 /nfs/dbraw/zinc/81/53/39/346815339.db2.gz IXNCJIDXXWGFFQ-GZMMTYOYSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000127726827 187328847 /nfs/dbraw/zinc/32/88/47/187328847.db2.gz MKTYDMATTCPRJD-CYBMUJFWSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079905739 343993205 /nfs/dbraw/zinc/99/32/05/343993205.db2.gz ZJHKYOYNNMFUSD-CYBMUJFWSA-N 1 0 292.383 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601333340 346822730 /nfs/dbraw/zinc/82/27/30/346822730.db2.gz CKMJPSRNUMQFOJ-UKRRQHHQSA-N 1 0 275.352 2.169 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959502 361875011 /nfs/dbraw/zinc/87/50/11/361875011.db2.gz IZYJSACYMIYFLE-NEPJUHHUSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1C ZINC000449217140 282145055 /nfs/dbraw/zinc/14/50/55/282145055.db2.gz XDQIYORMZIBNBU-NTZNESFSSA-N 1 0 264.325 2.293 20 5 CEBDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010513 361881958 /nfs/dbraw/zinc/88/19/58/361881958.db2.gz CZLNQRNDDPECRW-AWEZNQCLSA-N 1 0 293.367 2.408 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000080611266 344016720 /nfs/dbraw/zinc/01/67/20/344016720.db2.gz QNVWSYWZXHYBJE-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879840 187203353 /nfs/dbraw/zinc/20/33/53/187203353.db2.gz WUHBMTIOERYVFK-DGCLKSJQSA-N 1 0 291.351 2.256 20 5 CEBDRO [NH3+]C1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000041152867 362022794 /nfs/dbraw/zinc/02/27/94/362022794.db2.gz ZQSDPQNRWOHKAB-UHFFFAOYSA-N 1 0 274.280 2.373 20 5 CEBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294979778 199281218 /nfs/dbraw/zinc/28/12/18/199281218.db2.gz GLHYGIQZJSVBCQ-QMMMGPOBSA-N 1 0 258.343 2.295 20 5 CEBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294979776 199281594 /nfs/dbraw/zinc/28/15/94/199281594.db2.gz GLHYGIQZJSVBCQ-MRVPVSSYSA-N 1 0 258.343 2.295 20 5 CEBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000006911161 343357188 /nfs/dbraw/zinc/35/71/88/343357188.db2.gz GVTACCQHZPPDJI-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000007203110 343358255 /nfs/dbraw/zinc/35/82/55/343358255.db2.gz UQUGGXOGMGFZRK-ZETCQYMHSA-N 1 0 291.336 2.403 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493568 282257394 /nfs/dbraw/zinc/25/73/94/282257394.db2.gz FDINYSBHTRBAGD-FZMZJTMJSA-N 1 0 264.325 2.452 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449500391 282259679 /nfs/dbraw/zinc/25/96/79/282259679.db2.gz DHOROJHVONHKSZ-JKSUJKDBSA-N 1 0 290.363 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCSCC2)c1 ZINC000047986458 362237522 /nfs/dbraw/zinc/23/75/22/362237522.db2.gz OIBJWHZKXWQSPH-UHFFFAOYSA-N 1 0 268.338 2.022 20 5 CEBDRO Cn1cc(CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000047668464 343520316 /nfs/dbraw/zinc/52/03/16/343520316.db2.gz QWPUQYFEJVVITJ-UHFFFAOYSA-N 1 0 288.351 2.393 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCN(C)C1=O ZINC000601967781 346945388 /nfs/dbraw/zinc/94/53/88/346945388.db2.gz BIKGJQUUWGKXHY-AWEZNQCLSA-N 1 0 291.351 2.038 20 5 CEBDRO CC(C)(F)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000601970178 346946131 /nfs/dbraw/zinc/94/61/31/346946131.db2.gz ZUSSLGJIVNEYAC-UHFFFAOYSA-N 1 0 283.303 2.261 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000052102548 343556580 /nfs/dbraw/zinc/55/65/80/343556580.db2.gz FKDWIMVQIPGKOR-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336724208 365787500 /nfs/dbraw/zinc/78/75/00/365787500.db2.gz BECMFPOTUFETRT-VXNVDRBHSA-N 1 0 258.368 2.497 20 5 CEBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000061031147 343664785 /nfs/dbraw/zinc/66/47/85/343664785.db2.gz PTVQAOZBORESAE-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066948765 343726808 /nfs/dbraw/zinc/72/68/08/343726808.db2.gz YXFWERPOVQRYIG-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000067163107 343730951 /nfs/dbraw/zinc/73/09/51/343730951.db2.gz TUFCTFNJMVQGNQ-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000128069405 187348944 /nfs/dbraw/zinc/34/89/44/187348944.db2.gz XKTKCEJEFRBSGB-NSHDSACASA-N 1 0 292.314 2.324 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449598863 282298620 /nfs/dbraw/zinc/29/86/20/282298620.db2.gz DRNJHDFNSZBMQT-LLVKDONJSA-N 1 0 293.367 2.332 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000075673795 343861570 /nfs/dbraw/zinc/86/15/70/343861570.db2.gz LJYIHFOYZCLUHC-GFCCVEGCSA-N 1 0 275.352 2.436 20 5 CEBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636384 282313283 /nfs/dbraw/zinc/31/32/83/282313283.db2.gz DHQZMUKXEYSAGJ-DGCLKSJQSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)C1 ZINC000048417259 362268789 /nfs/dbraw/zinc/26/87/89/362268789.db2.gz WGTHMNLIZGWSDD-GWCFXTLKSA-N 1 0 250.298 2.113 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncccc1[N+](=O)[O-] ZINC000078455461 343953517 /nfs/dbraw/zinc/95/35/17/343953517.db2.gz NUMPRXPBMQTKFS-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000078553712 343956603 /nfs/dbraw/zinc/95/66/03/343956603.db2.gz AKRZBXQJHPCSGB-NSHDSACASA-N 1 0 292.339 2.201 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000091484259 344165333 /nfs/dbraw/zinc/16/53/33/344165333.db2.gz KFUFBJYJBYCKEP-CQSZACIVSA-N 1 0 263.341 2.371 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413671 344139510 /nfs/dbraw/zinc/13/95/10/344139510.db2.gz SYTZYXCQTGBMFK-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc(C[N@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000092505946 344192696 /nfs/dbraw/zinc/19/26/96/344192696.db2.gz FZUGSOKWMARADU-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO C[C@H](CO)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121624359 344303925 /nfs/dbraw/zinc/30/39/25/344303925.db2.gz SBNIMAAFKADCLF-NSHDSACASA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122585968 344307069 /nfs/dbraw/zinc/30/70/69/344307069.db2.gz GKEKLTZWYHFJLI-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000156961957 344444374 /nfs/dbraw/zinc/44/43/74/344444374.db2.gz XYOWNOMKNJWOOU-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CC1 ZINC000157351374 344445777 /nfs/dbraw/zinc/44/57/77/344445777.db2.gz UKMHKBXJCLDHJH-NSHDSACASA-N 1 0 264.325 2.326 20 5 CEBDRO CCSCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000159264927 344454265 /nfs/dbraw/zinc/45/42/65/344454265.db2.gz JQCQCGDCUQFROL-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO COC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160228024 344457678 /nfs/dbraw/zinc/45/76/78/344457678.db2.gz MOUVLWJSSQNQHR-UHFFFAOYSA-N 1 0 252.314 2.152 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000160970728 344462603 /nfs/dbraw/zinc/46/26/03/344462603.db2.gz CSKFJZCYBROJLL-DTWKUNHWSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000162781026 344468681 /nfs/dbraw/zinc/46/86/81/344468681.db2.gz CJQGZRJGKXKGDI-STQMWFEESA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000211104532 344531173 /nfs/dbraw/zinc/53/11/73/344531173.db2.gz RNRBNJANBJMXGG-LLVKDONJSA-N 1 0 264.325 2.326 20 5 CEBDRO CCC[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445223 362421849 /nfs/dbraw/zinc/42/18/49/362421849.db2.gz CHJXQEYBPQHJKW-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(OCC2CC[NH2+]CC2)c1 ZINC000051869913 362442011 /nfs/dbraw/zinc/44/20/11/362442011.db2.gz VPUNHINYSXRGQX-UHFFFAOYSA-N 1 0 254.261 2.112 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCC2)cs1 ZINC000053045597 362478626 /nfs/dbraw/zinc/47/86/26/362478626.db2.gz RFQYQKNJBSBHGU-UHFFFAOYSA-N 1 0 256.327 2.051 20 5 CEBDRO CCC(CC)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000053070585 362481645 /nfs/dbraw/zinc/48/16/45/362481645.db2.gz VJPLNMXUZJOICZ-UHFFFAOYSA-N 1 0 266.341 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2CO)cc1 ZINC000602520528 347065118 /nfs/dbraw/zinc/06/51/18/347065118.db2.gz HLHOZMXKZFAMMZ-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280673281 344674723 /nfs/dbraw/zinc/67/47/23/344674723.db2.gz GCQUGTNTBPCVSO-UHIISALHSA-N 1 0 292.335 2.397 20 5 CEBDRO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909501 344637804 /nfs/dbraw/zinc/63/78/04/344637804.db2.gz XPAPEKSISHHOGV-GHMZBOCLSA-N 1 0 269.370 2.216 20 5 CEBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788960 344638043 /nfs/dbraw/zinc/63/80/43/344638043.db2.gz NLRHZXCQZIMZHY-GXTWGEPZSA-N 1 0 277.368 2.462 20 5 CEBDRO COC[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532337 347068570 /nfs/dbraw/zinc/06/85/70/347068570.db2.gz TZXCRTGZAWYFLZ-VIFPVBQESA-N 1 0 279.296 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000292998427 344690225 /nfs/dbraw/zinc/69/02/25/344690225.db2.gz CRPRXTRFAFJGNR-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000292998429 344690262 /nfs/dbraw/zinc/69/02/62/344690262.db2.gz CRPRXTRFAFJGNR-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000322370491 344753273 /nfs/dbraw/zinc/75/32/73/344753273.db2.gz DTQGRROYZGYDGG-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO C[NH+](C)C1(CNc2ncc(F)cc2[N+](=O)[O-])CCCC1 ZINC000401196982 344867085 /nfs/dbraw/zinc/86/70/85/344867085.db2.gz AWDRQUUIFKNIDU-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295089636 199339791 /nfs/dbraw/zinc/33/97/91/199339791.db2.gz JEPANUOFKAXRBV-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO CC(C)N(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054112688 362512559 /nfs/dbraw/zinc/51/25/59/362512559.db2.gz CRSCAOLEBVLNDO-UHFFFAOYSA-N 1 0 265.357 2.067 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000588835197 345056939 /nfs/dbraw/zinc/05/69/39/345056939.db2.gz GQVCQTJFFWHSQM-SNVBAGLBSA-N 1 0 287.385 2.161 20 5 CEBDRO CC(=O)c1cc(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000590140621 345116947 /nfs/dbraw/zinc/11/69/47/345116947.db2.gz OAPMBUXBRGZXHH-GFCCVEGCSA-N 1 0 291.351 2.185 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000602578658 347086135 /nfs/dbraw/zinc/08/61/35/347086135.db2.gz PCWZUQXVYPDBSD-GFCCVEGCSA-N 1 0 295.314 2.077 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590053090 345111497 /nfs/dbraw/zinc/11/14/97/345111497.db2.gz XRCBINWZLMKTTK-SBURYJAWSA-N 1 0 287.363 2.244 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590403179 345133947 /nfs/dbraw/zinc/13/39/47/345133947.db2.gz JAOSAZSXCJQLJQ-RISCZKNCSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+](C)C(C)C ZINC000590550635 345144685 /nfs/dbraw/zinc/14/46/85/345144685.db2.gz LLNZDYNSOQRGPB-UHFFFAOYSA-N 1 0 279.340 2.490 20 5 CEBDRO Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)ncc1[N+](=O)[O-] ZINC000590567888 345146043 /nfs/dbraw/zinc/14/60/43/345146043.db2.gz MPKOKKRWVHKBST-UHFFFAOYSA-N 1 0 290.367 2.220 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000591243842 345233994 /nfs/dbraw/zinc/23/39/94/345233994.db2.gz BSMCEZPKYDTASC-RYUDHWBXSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000591442893 345256175 /nfs/dbraw/zinc/25/61/75/345256175.db2.gz JHSOBWQJABRHJI-CYBMUJFWSA-N 1 0 275.352 2.421 20 5 CEBDRO Cc1c(NC(=O)NC[C@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591272464 345236707 /nfs/dbraw/zinc/23/67/07/345236707.db2.gz PGLRVBGLCUFFSB-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591270321 345236755 /nfs/dbraw/zinc/23/67/55/345236755.db2.gz KFTSRQXZSJACJN-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348697 345241649 /nfs/dbraw/zinc/24/16/49/345241649.db2.gz MEKSMAJZVXDABB-TUKIKUTGSA-N 1 0 276.336 2.475 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591439286 345254580 /nfs/dbraw/zinc/25/45/80/345254580.db2.gz SLFKBLXMDPILPG-RYUDHWBXSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439426 345254938 /nfs/dbraw/zinc/25/49/38/345254938.db2.gz UTROEDDWTUXDBT-GXSJLCMTSA-N 1 0 281.743 2.436 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000591440710 345255242 /nfs/dbraw/zinc/25/52/42/345255242.db2.gz MLGWKIAQTUEMLX-FZMZJTMJSA-N 1 0 298.346 2.331 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])s1 ZINC000591464206 345259210 /nfs/dbraw/zinc/25/92/10/345259210.db2.gz MXGCKXZHSXGVJP-SECBINFHSA-N 1 0 255.343 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000591560594 345264156 /nfs/dbraw/zinc/26/41/56/345264156.db2.gz ZTLMQSQMMFGKPI-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO CNc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592357395 345344552 /nfs/dbraw/zinc/34/45/52/345344552.db2.gz ZWNOGONAHFUWAA-SNVBAGLBSA-N 1 0 289.295 2.111 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000592379997 345348226 /nfs/dbraw/zinc/34/82/26/345348226.db2.gz HJHHDPUTCOHGDR-PSASIEDQSA-N 1 0 298.364 2.293 20 5 CEBDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000592394070 345349311 /nfs/dbraw/zinc/34/93/11/345349311.db2.gz LOKCCFBKLIOPNK-NSHDSACASA-N 1 0 289.339 2.007 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C2CC2)C2CC[NH2+]CC2)c(F)c1 ZINC000592424289 345351731 /nfs/dbraw/zinc/35/17/31/345351731.db2.gz BJHVGQZQIRPZQU-UHFFFAOYSA-N 1 0 293.342 2.450 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000592424308 345351785 /nfs/dbraw/zinc/35/17/85/345351785.db2.gz FVKQMVNWPHBQPO-UHFFFAOYSA-N 1 0 275.352 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475529 345358787 /nfs/dbraw/zinc/35/87/87/345358787.db2.gz MQAQFKIQHWBFBS-HUBLWGQQSA-N 1 0 293.367 2.012 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CC[NH2+]C3)c2)c1 ZINC000592163770 345333193 /nfs/dbraw/zinc/33/31/93/345333193.db2.gz HYEVQACYUHCNFB-NSHDSACASA-N 1 0 272.308 2.068 20 5 CEBDRO Cc1sc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710702 362593574 /nfs/dbraw/zinc/59/35/74/362593574.db2.gz QPYOSHZOZBXCED-QMMMGPOBSA-N 1 0 297.380 2.177 20 5 CEBDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593681289 345520136 /nfs/dbraw/zinc/52/01/36/345520136.db2.gz FDMGPMOIHYKLJB-NSHDSACASA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000593721139 345527416 /nfs/dbraw/zinc/52/74/16/345527416.db2.gz ODEWYJWEPCWSFY-DOMZBBRYSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1cc(C(=O)NCCC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000593919429 345552449 /nfs/dbraw/zinc/55/24/49/345552449.db2.gz QSVRQBHDEUQPEU-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1sc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593918654 345552575 /nfs/dbraw/zinc/55/25/75/345552575.db2.gz IFABELFWKXSZLA-UHFFFAOYSA-N 1 0 297.380 2.084 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000594501453 345638991 /nfs/dbraw/zinc/63/89/91/345638991.db2.gz WLZFEYXIFJILOE-MJVIPROJSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594615362 345662822 /nfs/dbraw/zinc/66/28/22/345662822.db2.gz NKKIQIBWCXHYRL-LLVKDONJSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640125 345664153 /nfs/dbraw/zinc/66/41/53/345664153.db2.gz ICCDLVYTMHYSRG-LBPRGKRZSA-N 1 0 275.312 2.221 20 5 CEBDRO [NH3+]C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739833 345683105 /nfs/dbraw/zinc/68/31/05/345683105.db2.gz YMWYMHBDJXEMCN-ALCCZGGFSA-N 1 0 275.352 2.469 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595310107 345760072 /nfs/dbraw/zinc/76/00/72/345760072.db2.gz UINOAIQBQFOZDZ-JTQLQIEISA-N 1 0 251.286 2.266 20 5 CEBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594966149 345719350 /nfs/dbraw/zinc/71/93/50/345719350.db2.gz NQKSHTQAVPYANM-FUEXJSSKSA-N 1 0 276.336 2.359 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000594969900 345719837 /nfs/dbraw/zinc/71/98/37/345719837.db2.gz SJXYSBHGLYJJNA-NSHDSACASA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000594995961 345723250 /nfs/dbraw/zinc/72/32/50/345723250.db2.gz WEVUTHIFTJXIQU-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)CC1 ZINC000595015168 345727534 /nfs/dbraw/zinc/72/75/34/345727534.db2.gz XOAWXEGILISJOS-JTQLQIEISA-N 1 0 280.324 2.027 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018291 345728199 /nfs/dbraw/zinc/72/81/99/345728199.db2.gz NGKTZEAOHGHPAB-CMPLNLGQSA-N 1 0 282.340 2.415 20 5 CEBDRO COC[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000595059907 345736908 /nfs/dbraw/zinc/73/69/08/345736908.db2.gz ILUGFAIONVDNJS-FZMZJTMJSA-N 1 0 282.340 2.297 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595061583 345737515 /nfs/dbraw/zinc/73/75/15/345737515.db2.gz RVHIQFKQRZNNFX-OSAQELSMSA-N 1 0 294.351 2.297 20 5 CEBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595316697 345760939 /nfs/dbraw/zinc/76/09/39/345760939.db2.gz IWDINLNTNBCBDB-AWEZNQCLSA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396418 345773870 /nfs/dbraw/zinc/77/38/70/345773870.db2.gz LOOJCSANNHDBGS-MFKMUULPSA-N 1 0 282.315 2.469 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595431284 345780869 /nfs/dbraw/zinc/78/08/69/345780869.db2.gz OMCFUCIZWODTGV-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595448635 345785499 /nfs/dbraw/zinc/78/54/99/345785499.db2.gz LQIHZGJQRJDVLK-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595470481 345791299 /nfs/dbraw/zinc/79/12/99/345791299.db2.gz WAJMCXAGMSDQRD-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO Cc1noc(C[NH2+][C@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000595471912 345791312 /nfs/dbraw/zinc/79/13/12/345791312.db2.gz GQQVOUAFXJDNNX-LBPRGKRZSA-N 1 0 295.339 2.330 20 5 CEBDRO Cc1noc(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595490162 345794397 /nfs/dbraw/zinc/79/43/97/345794397.db2.gz DSTIKDJOQYSJAB-ZYHUDNBSSA-N 1 0 297.355 2.407 20 5 CEBDRO Cc1noc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000595505129 345798041 /nfs/dbraw/zinc/79/80/41/345798041.db2.gz NHOPYOYCFAJJFR-ZDUSSCGKSA-N 1 0 297.355 2.168 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595808968 345880892 /nfs/dbraw/zinc/88/08/92/345880892.db2.gz PUHWDKYVFASZCC-VXGBXAGGSA-N 1 0 262.309 2.315 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595811037 345881632 /nfs/dbraw/zinc/88/16/32/345881632.db2.gz RUFSKVGRUGBMTP-RYUDHWBXSA-N 1 0 262.309 2.445 20 5 CEBDRO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055495 345929094 /nfs/dbraw/zinc/92/90/94/345929094.db2.gz URBLNPDMLSOZPB-JTQLQIEISA-N 1 0 292.295 2.003 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595860126 345900467 /nfs/dbraw/zinc/90/04/67/345900467.db2.gz HILKIHIZHFFUNN-NHYWBVRUSA-N 1 0 294.351 2.054 20 5 CEBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595908684 345911365 /nfs/dbraw/zinc/91/13/65/345911365.db2.gz JPFKRULRXCTTET-LBPRGKRZSA-N 1 0 291.351 2.172 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595931419 345914499 /nfs/dbraw/zinc/91/44/99/345914499.db2.gz WYXYMGOZFSMVTQ-ZYHUDNBSSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccnc(NCC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596431094 346021786 /nfs/dbraw/zinc/02/17/86/346021786.db2.gz MQWXLQYRGLSOLD-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO O=[N+]([O-])c1cnccc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558945 346054639 /nfs/dbraw/zinc/05/46/39/346054639.db2.gz VDRWGQWWZFBMDJ-CQSZACIVSA-N 1 0 298.346 2.098 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)[NH2+]1 ZINC000598536313 346372145 /nfs/dbraw/zinc/37/21/45/346372145.db2.gz RJAQSMGLXAFPLO-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000598889039 346431723 /nfs/dbraw/zinc/43/17/23/346431723.db2.gz QYMACNMFECPUBA-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598999153 346444211 /nfs/dbraw/zinc/44/42/11/346444211.db2.gz KLUUXWUJNOKSBR-DYNIEEOBSA-N 1 0 264.325 2.496 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599000795 346444920 /nfs/dbraw/zinc/44/49/20/346444920.db2.gz WDEGJLMUHIQCLD-DEKYYXRVSA-N 1 0 264.325 2.496 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH2+]CC1 ZINC000598916594 346433997 /nfs/dbraw/zinc/43/39/97/346433997.db2.gz CWGBWHAGSANBGJ-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO C/C=C\C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599081411 346457216 /nfs/dbraw/zinc/45/72/16/346457216.db2.gz KKPPSDLNQPAQFY-BYCRGOAPSA-N 1 0 277.324 2.478 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@H]21 ZINC000599082468 346457471 /nfs/dbraw/zinc/45/74/71/346457471.db2.gz CSGADKSARPZWOI-NHAGDIPZSA-N 1 0 298.346 2.139 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599163044 346470471 /nfs/dbraw/zinc/47/04/71/346470471.db2.gz ADPIUQJCLZSNJL-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000599673626 346560739 /nfs/dbraw/zinc/56/07/39/346560739.db2.gz RVCPMZKESDPCNJ-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985263 346589414 /nfs/dbraw/zinc/58/94/14/346589414.db2.gz BERULOFXCZTJHT-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600995994 346727967 /nfs/dbraw/zinc/72/79/67/346727967.db2.gz OKUNHVVOKYKDPM-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600965639 346721257 /nfs/dbraw/zinc/72/12/57/346721257.db2.gz UDIFYLCRUFRWQC-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601163242 346773608 /nfs/dbraw/zinc/77/36/08/346773608.db2.gz FYMIPDRTIBNCLF-NSHDSACASA-N 1 0 282.319 2.415 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000601188487 346781134 /nfs/dbraw/zinc/78/11/34/346781134.db2.gz HLUCPNXUSBLJIN-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@H](CO)N(C)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170975 346776134 /nfs/dbraw/zinc/77/61/34/346776134.db2.gz XUPNXTQCUXBXSB-SNVBAGLBSA-N 1 0 275.308 2.350 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601173300 346777888 /nfs/dbraw/zinc/77/78/88/346777888.db2.gz WQKGGAQXICJNJI-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814622 365857300 /nfs/dbraw/zinc/85/73/00/365857300.db2.gz XPYWANCBCZLWIA-KOLCDFICSA-N 1 0 268.288 2.391 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602698871 347154833 /nfs/dbraw/zinc/15/48/33/347154833.db2.gz AJKUIBYGTLXYKO-JQWIXIFHSA-N 1 0 264.329 2.093 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CO1 ZINC000602704428 347159265 /nfs/dbraw/zinc/15/92/65/347159265.db2.gz DLAJNFJIDXTTGX-SECBINFHSA-N 1 0 291.307 2.393 20 5 CEBDRO CCC[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])OC ZINC000602659663 347128677 /nfs/dbraw/zinc/12/86/77/347128677.db2.gz QPACTGYJXSIVLU-LBPRGKRZSA-N 1 0 281.356 2.175 20 5 CEBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818208 347212607 /nfs/dbraw/zinc/21/26/07/347212607.db2.gz LVTMFLDBDIJMMR-ZYHUDNBSSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000602801668 347205032 /nfs/dbraw/zinc/20/50/32/347205032.db2.gz YUQDCZKPZYXBDN-NSHDSACASA-N 1 0 289.339 2.188 20 5 CEBDRO CCSCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733900 347177848 /nfs/dbraw/zinc/17/78/48/347177848.db2.gz XIDRRNAGQBZAQC-CYBMUJFWSA-N 1 0 284.381 2.145 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H](C)C1 ZINC000602817369 347211836 /nfs/dbraw/zinc/21/18/36/347211836.db2.gz JURMRKVDLUQPQX-NSHDSACASA-N 1 0 266.345 2.222 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602932062 347250678 /nfs/dbraw/zinc/25/06/78/347250678.db2.gz WOFVPLMLXLQGSM-MFKMUULPSA-N 1 0 282.315 2.327 20 5 CEBDRO CCN(C#N)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602840204 347219894 /nfs/dbraw/zinc/21/98/94/347219894.db2.gz MCSWQCRLEJBIHQ-UHFFFAOYSA-N 1 0 276.340 2.222 20 5 CEBDRO COCC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCCC1 ZINC000602903377 347242811 /nfs/dbraw/zinc/24/28/11/347242811.db2.gz RMXQQZMGIGWEDM-UHFFFAOYSA-N 1 0 296.371 2.039 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000602983338 347265509 /nfs/dbraw/zinc/26/55/09/347265509.db2.gz ICXQVWCIRORDMT-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000603396890 347358327 /nfs/dbraw/zinc/35/83/27/347358327.db2.gz AWALGDSCSOOECK-QWRGUYRKSA-N 1 0 295.387 2.260 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000603407213 347361399 /nfs/dbraw/zinc/36/13/99/347361399.db2.gz QTUDASUVGGELID-DGCLKSJQSA-N 1 0 289.339 2.366 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC000603406676 347361484 /nfs/dbraw/zinc/36/14/84/347361484.db2.gz NLCFGCQJPFAGEK-SFYZADRCSA-N 1 0 270.358 2.192 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[C@]3(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000603425620 347367797 /nfs/dbraw/zinc/36/77/97/347367797.db2.gz WMDPLDNHNVOLAF-BONVTDFDSA-N 1 0 285.303 2.022 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431128 347368352 /nfs/dbraw/zinc/36/83/52/347368352.db2.gz FCNGOOADPIOJEB-RYUDHWBXSA-N 1 0 283.759 2.464 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604493041 347417844 /nfs/dbraw/zinc/41/78/44/347417844.db2.gz SCHZYZKRICNDGT-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000065535338 362833623 /nfs/dbraw/zinc/83/36/23/362833623.db2.gz IKHLUCKSTMXKFP-UHFFFAOYSA-N 1 0 250.298 2.315 20 5 CEBDRO C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129760244 365892288 /nfs/dbraw/zinc/89/22/88/365892288.db2.gz UVCSXPHJTLKOEG-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)cn1 ZINC000609797173 347651119 /nfs/dbraw/zinc/65/11/19/347651119.db2.gz KONOAVGWIMUJNL-UHFFFAOYSA-N 1 0 282.263 2.314 20 5 CEBDRO COc1ccc(C[N@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000610390322 347677947 /nfs/dbraw/zinc/67/79/47/347677947.db2.gz WVJSOTDOAUUKSN-UHFFFAOYSA-N 1 0 280.324 2.072 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2C3CCCC2CCC3)c1 ZINC000610448025 347682064 /nfs/dbraw/zinc/68/20/64/347682064.db2.gz QVMPEZGTALEHGO-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000610281171 347669141 /nfs/dbraw/zinc/66/91/41/347669141.db2.gz HLTYBYUFJCSZEU-ZDUSSCGKSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611272302 347761680 /nfs/dbraw/zinc/76/16/80/347761680.db2.gz ZYPSVSCAECOPBI-PHIMTYICSA-N 1 0 292.335 2.454 20 5 CEBDRO C[N@@H+]1CCCN(CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611412526 347776315 /nfs/dbraw/zinc/77/63/15/347776315.db2.gz UMEXGBWTZMPEFU-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO CC(C)C([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000611434109 347779625 /nfs/dbraw/zinc/77/96/25/347779625.db2.gz NSXVTVUQQQSPAZ-UHFFFAOYSA-N 1 0 254.334 2.062 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CC ZINC000336843743 365916706 /nfs/dbraw/zinc/91/67/06/365916706.db2.gz XQBAEBFGNOAOJZ-LLVKDONJSA-N 1 0 281.360 2.016 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000611510167 347788029 /nfs/dbraw/zinc/78/80/29/347788029.db2.gz BIMCTFFKROORKT-ZJUUUORDSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612135267 347848445 /nfs/dbraw/zinc/84/84/45/347848445.db2.gz YELKZMNGMHDUPR-MPXAEWJHSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000612577363 347903731 /nfs/dbraw/zinc/90/37/31/347903731.db2.gz AFFDJOALXOUSBY-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000459617554 290195881 /nfs/dbraw/zinc/19/58/81/290195881.db2.gz RAWGXSLXNZRMOP-DGCLKSJQSA-N 1 0 266.345 2.350 20 5 CEBDRO CC[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000128746645 187388299 /nfs/dbraw/zinc/38/82/99/187388299.db2.gz RPVIGEISWCWXLI-ZDUSSCGKSA-N 1 0 263.297 2.066 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614418884 348197784 /nfs/dbraw/zinc/19/77/84/348197784.db2.gz DMHGACPLJPXHJB-FZMZJTMJSA-N 1 0 287.323 2.194 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351971825 219271043 /nfs/dbraw/zinc/27/10/43/219271043.db2.gz XIOOWCXDVDMOSI-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087523356 179440223 /nfs/dbraw/zinc/44/02/23/179440223.db2.gz AIPAUOUTOYUTML-GXFFZTMASA-N 1 0 279.340 2.003 20 5 CEBDRO CC(C)=CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616482629 348509158 /nfs/dbraw/zinc/50/91/58/348509158.db2.gz GTAQKNOIEHFAQV-UHFFFAOYSA-N 1 0 278.308 2.422 20 5 CEBDRO CC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000616865322 348581001 /nfs/dbraw/zinc/58/10/01/348581001.db2.gz KJIDLRCWOSJYQI-AWEZNQCLSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000616865130 348581353 /nfs/dbraw/zinc/58/13/53/348581353.db2.gz BWPVDEZSYKWIEO-CQSZACIVSA-N 1 0 298.314 2.401 20 5 CEBDRO CC[NH+](CC)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000067949420 362932846 /nfs/dbraw/zinc/93/28/46/362932846.db2.gz GOTDBYQNASJVER-UHFFFAOYSA-N 1 0 255.293 2.488 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000273485500 192170059 /nfs/dbraw/zinc/17/00/59/192170059.db2.gz VPUHGRHOHWMIOX-BXUZGUMPSA-N 1 0 264.325 2.106 20 5 CEBDRO C[NH+](C)CCN(c1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000450496536 282638029 /nfs/dbraw/zinc/63/80/29/282638029.db2.gz AYOHKENMESQLIL-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000271219914 191008386 /nfs/dbraw/zinc/00/83/86/191008386.db2.gz FUOMRSJBQUQNJO-NSHDSACASA-N 1 0 293.367 2.200 20 5 CEBDRO CC(C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551374 180002354 /nfs/dbraw/zinc/00/23/54/180002354.db2.gz RVDOZVTWBWUEEM-ZDUSSCGKSA-N 1 0 293.367 2.125 20 5 CEBDRO CC[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550240 180003052 /nfs/dbraw/zinc/00/30/52/180003052.db2.gz WZNHWEFUWPQMBY-ZDUSSCGKSA-N 1 0 293.367 2.411 20 5 CEBDRO Cc1cnc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000090692314 180025387 /nfs/dbraw/zinc/02/53/87/180025387.db2.gz YWDXFTGBZTYXIZ-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000091672909 180224728 /nfs/dbraw/zinc/22/47/28/180224728.db2.gz IEEVRBFIAPPNEM-CHWSQXEVSA-N 1 0 291.351 2.178 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000271350014 191088808 /nfs/dbraw/zinc/08/88/08/191088808.db2.gz POHBGCNALSNCDW-JSGCOSHPSA-N 1 0 264.325 2.106 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352187843 219351011 /nfs/dbraw/zinc/35/10/11/219351011.db2.gz VFYZROLMKBYSGL-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352194813 219355140 /nfs/dbraw/zinc/35/51/40/219355140.db2.gz MAFSWWABTICDOI-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106408549 186114456 /nfs/dbraw/zinc/11/44/56/186114456.db2.gz HCRHGAWLUKWXIS-GFCCVEGCSA-N 1 0 265.313 2.120 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107694773 186187184 /nfs/dbraw/zinc/18/71/84/186187184.db2.gz MIQSOKFRLSIZAQ-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000130780116 365990469 /nfs/dbraw/zinc/99/04/69/365990469.db2.gz PMFRZGPVMPNKSC-LLVKDONJSA-N 1 0 264.325 2.469 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130999111 366012599 /nfs/dbraw/zinc/01/25/99/366012599.db2.gz XXOIBEHZCNRSNK-VIFPVBQESA-N 1 0 296.277 2.420 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074603 363027642 /nfs/dbraw/zinc/02/76/42/363027642.db2.gz MZMHJHAGFUJQLE-NEPJUHHUSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC(C)(C)[NH3+] ZINC000070087064 363031932 /nfs/dbraw/zinc/03/19/32/363031932.db2.gz OMCIRCVCABASMK-UHFFFAOYSA-N 1 0 265.313 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070170075 363044033 /nfs/dbraw/zinc/04/40/33/363044033.db2.gz CRRTZEIEMYRXGD-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317462 187026545 /nfs/dbraw/zinc/02/65/45/187026545.db2.gz MACBIAHMIHGWBW-YPMHNXCESA-N 1 0 275.352 2.310 20 5 CEBDRO CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000291761717 198084136 /nfs/dbraw/zinc/08/41/36/198084136.db2.gz LQATXMNYXFDFBE-GFCCVEGCSA-N 1 0 299.758 2.190 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000450853366 282802583 /nfs/dbraw/zinc/80/25/83/282802583.db2.gz BIWYTIKSJJUHEB-LLVKDONJSA-N 1 0 295.387 2.040 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000271562984 191215269 /nfs/dbraw/zinc/21/52/69/191215269.db2.gz AGNPCKOPSVSYOB-UHFFFAOYSA-N 1 0 282.340 2.113 20 5 CEBDRO CC(C)([NH2+]CC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000292111950 198167995 /nfs/dbraw/zinc/16/79/95/198167995.db2.gz JCYNNPFHBYKVEU-NSHDSACASA-N 1 0 292.335 2.373 20 5 CEBDRO CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271603868 191237557 /nfs/dbraw/zinc/23/75/57/191237557.db2.gz ITPGXBWQNOGDEF-NEPJUHHUSA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000152549005 188027682 /nfs/dbraw/zinc/02/76/82/188027682.db2.gz VNAYQBQHMPCFIQ-WCQYABFASA-N 1 0 264.325 2.330 20 5 CEBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292532960 198322871 /nfs/dbraw/zinc/32/28/71/198322871.db2.gz ZOLUNUHECVCSCP-NSHDSACASA-N 1 0 293.367 2.085 20 5 CEBDRO Cc1c(C[N@@H+](C)CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000157567238 188324373 /nfs/dbraw/zinc/32/43/73/188324373.db2.gz NLCOIGJCZGCZHX-UHFFFAOYSA-N 1 0 293.367 2.107 20 5 CEBDRO C[C@H](CCn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000157738001 188335696 /nfs/dbraw/zinc/33/56/96/188335696.db2.gz NHVWLHPITTUMTB-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132209315 366126942 /nfs/dbraw/zinc/12/69/42/366126942.db2.gz PGWRKSVXUXJZMD-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132756758 366168510 /nfs/dbraw/zinc/16/85/10/366168510.db2.gz ZYXBFGUSNXFCQQ-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000452032587 283165128 /nfs/dbraw/zinc/16/51/28/283165128.db2.gz WSMUFZBOYITYDU-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000273660108 192249697 /nfs/dbraw/zinc/24/96/97/192249697.db2.gz HWNWDXGBQYMTPB-LBPRGKRZSA-N 1 0 293.367 2.125 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000134382661 366314091 /nfs/dbraw/zinc/31/40/91/366314091.db2.gz PVCULPAWOHDOTH-AWEZNQCLSA-N 1 0 296.367 2.312 20 5 CEBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134592265 366344356 /nfs/dbraw/zinc/34/43/56/366344356.db2.gz VNIDNMTWFMHTQR-UHFFFAOYSA-N 1 0 285.369 2.051 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134902855 366371064 /nfs/dbraw/zinc/37/10/64/366371064.db2.gz MVXPTXYPEMJIGX-LLVKDONJSA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294039294 198882096 /nfs/dbraw/zinc/88/20/96/198882096.db2.gz FZCKQALXDVMTBZ-QMTHXVAHSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425255 199034894 /nfs/dbraw/zinc/03/48/94/199034894.db2.gz ULSQPBXZIVEAMN-JTQLQIEISA-N 1 0 277.324 2.174 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000414517551 236396391 /nfs/dbraw/zinc/39/63/91/236396391.db2.gz QSGREODJCCHBGT-MDZLAQPJSA-N 1 0 264.325 2.498 20 5 CEBDRO CN(C)C(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865714 366411182 /nfs/dbraw/zinc/41/11/82/366411182.db2.gz LDBZGBPDJUUFGT-ZDUSSCGKSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000570823620 299279198 /nfs/dbraw/zinc/27/91/98/299279198.db2.gz HQLZRAAIXRQZMI-JTQLQIEISA-N 1 0 288.307 2.444 20 5 CEBDRO COc1ccc(C[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000080248970 363651516 /nfs/dbraw/zinc/65/15/16/363651516.db2.gz MIUGGAYKEOLWMK-UHFFFAOYSA-N 1 0 250.298 2.492 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC1 ZINC000417351424 237091765 /nfs/dbraw/zinc/09/17/65/237091765.db2.gz CNVHRVGLSBGABR-GFCCVEGCSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579691 216021399 /nfs/dbraw/zinc/02/13/99/216021399.db2.gz ZQEAOBCWCPTQAW-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1nc(NC[C@H]2CCC[N@H+]2CC(C)C)ncc1[N+](=O)[O-] ZINC000297335468 200152528 /nfs/dbraw/zinc/15/25/28/200152528.db2.gz AMEQCDDPIZCOOZ-GFCCVEGCSA-N 1 0 293.371 2.226 20 5 CEBDRO Cc1ccnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000571186882 299298485 /nfs/dbraw/zinc/29/84/85/299298485.db2.gz KYJAAWUZPMBSGZ-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148469679 366581129 /nfs/dbraw/zinc/58/11/29/366581129.db2.gz MYMWSKHNFBZUHN-QMMMGPOBSA-N 1 0 270.720 2.007 20 5 CEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000080643767 363676900 /nfs/dbraw/zinc/67/69/00/363676900.db2.gz CIWFCHNSBYVBRJ-DZGCQCFKSA-N 1 0 275.352 2.263 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000081015736 363696004 /nfs/dbraw/zinc/69/60/04/363696004.db2.gz HXIDJKDDVGUEML-FZMZJTMJSA-N 1 0 291.351 2.304 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000341931424 216156808 /nfs/dbraw/zinc/15/68/08/216156808.db2.gz LCTMUAOWYHSWBR-STQMWFEESA-N 1 0 292.383 2.395 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081519783 363723736 /nfs/dbraw/zinc/72/37/36/363723736.db2.gz OHXVVVSACTVQRI-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000177597488 189059427 /nfs/dbraw/zinc/05/94/27/189059427.db2.gz QIWRAAIKLKEOSA-QWHCGFSZSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000177826478 189072735 /nfs/dbraw/zinc/07/27/35/189072735.db2.gz LBFRXXLXZXVGDH-WFASDCNBSA-N 1 0 286.335 2.484 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000177866832 189075472 /nfs/dbraw/zinc/07/54/72/189075472.db2.gz TYVQQJSDLXHLKE-GFCCVEGCSA-N 1 0 293.367 2.469 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)CCC1 ZINC000178638228 189133315 /nfs/dbraw/zinc/13/33/15/189133315.db2.gz PLNUEAXUFISVQI-ZZXKWVIFSA-N 1 0 262.309 2.113 20 5 CEBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178730900 189141239 /nfs/dbraw/zinc/14/12/39/189141239.db2.gz KNTVYLSEMKYWCR-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000179148288 189172935 /nfs/dbraw/zinc/17/29/35/189172935.db2.gz NBBNXGWNGUODPH-AWEZNQCLSA-N 1 0 292.335 2.165 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000179124015 189171282 /nfs/dbraw/zinc/17/12/82/189171282.db2.gz WHSXYOAYIPZNOX-GFCCVEGCSA-N 1 0 278.308 2.122 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000339166166 366685599 /nfs/dbraw/zinc/68/55/99/366685599.db2.gz CVELXQVGPQKIJA-CYBMUJFWSA-N 1 0 294.351 2.427 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342242172 216274479 /nfs/dbraw/zinc/27/44/79/216274479.db2.gz IKAXINHISUYOQM-CHWSQXEVSA-N 1 0 278.352 2.483 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554262 189300561 /nfs/dbraw/zinc/30/05/61/189300561.db2.gz STVQXKLULSQVOY-ZDUSSCGKSA-N 1 0 294.351 2.207 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000301613625 201097374 /nfs/dbraw/zinc/09/73/74/201097374.db2.gz UBRIMLWTHNNLHN-LBPRGKRZSA-N 1 0 295.387 2.027 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183842413 189369227 /nfs/dbraw/zinc/36/92/27/189369227.db2.gz HZVJOKNWEBPUFZ-NSHDSACASA-N 1 0 293.367 2.326 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184367197 189383962 /nfs/dbraw/zinc/38/39/62/189383962.db2.gz LCTJFULKQRYXHK-LLVKDONJSA-N 1 0 295.368 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOC(F)(F)F)cc1 ZINC000089051711 363926742 /nfs/dbraw/zinc/92/67/42/363926742.db2.gz OGKWIECOGOPJRM-UHFFFAOYSA-N 1 0 278.230 2.263 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000090502115 364060440 /nfs/dbraw/zinc/06/04/40/364060440.db2.gz NLALBSMEFQYPOL-UHFFFAOYSA-N 1 0 264.325 2.248 20 5 CEBDRO COc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537754 364062720 /nfs/dbraw/zinc/06/27/20/364062720.db2.gz ZSGCDRRHKLXCMU-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO C[C@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795021 364063217 /nfs/dbraw/zinc/06/32/17/364063217.db2.gz FRNOYEBXEYGSFQ-DTWKUNHWSA-N 1 0 295.368 2.199 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090824899 364067031 /nfs/dbraw/zinc/06/70/31/364067031.db2.gz GPPSUXDGOQVRIU-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092657406 364094249 /nfs/dbraw/zinc/09/42/49/364094249.db2.gz BMDLSJWGQROAFU-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C[NH2+]1 ZINC000237483001 370725303 /nfs/dbraw/zinc/72/53/03/370725303.db2.gz SNGMSDVFVZWCPK-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093839853 364233676 /nfs/dbraw/zinc/23/36/76/364233676.db2.gz PZROITUVIIMXDN-ZDUSSCGKSA-N 1 0 264.325 2.372 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000093991133 364246844 /nfs/dbraw/zinc/24/68/44/364246844.db2.gz XMPXEKGFERIYDQ-CHWSQXEVSA-N 1 0 291.351 2.116 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000238064980 370768513 /nfs/dbraw/zinc/76/85/13/370768513.db2.gz UBOKKOQYEPPLOM-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000581943355 366838346 /nfs/dbraw/zinc/83/83/46/366838346.db2.gz CFKBLTTWUWGDMQ-DTWKUNHWSA-N 1 0 280.328 2.151 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158536738 366858754 /nfs/dbraw/zinc/85/87/54/366858754.db2.gz PXGAVPXLLBKHHP-ZJUUUORDSA-N 1 0 297.380 2.212 20 5 CEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112379446 364802934 /nfs/dbraw/zinc/80/29/34/364802934.db2.gz WINXGDGIGCXMPU-RISCZKNCSA-N 1 0 266.341 2.482 20 5 CEBDRO COC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112986241 364862639 /nfs/dbraw/zinc/86/26/39/364862639.db2.gz KTTKSMKJDVEMKD-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000194827778 189668327 /nfs/dbraw/zinc/66/83/27/189668327.db2.gz WNDJOTLIISYNCX-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275498293 193059149 /nfs/dbraw/zinc/05/91/49/193059149.db2.gz QNSKPSJIXFTOER-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000159750806 366944659 /nfs/dbraw/zinc/94/46/59/366944659.db2.gz PYRLBZGTPWKIBL-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583020396 366990849 /nfs/dbraw/zinc/99/08/49/366990849.db2.gz XSMUVOPLEBSZMG-QWHCGFSZSA-N 1 0 296.367 2.216 20 5 CEBDRO C[C@@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161727472 367108797 /nfs/dbraw/zinc/10/87/97/367108797.db2.gz QQSUSVUPKJZBDQ-NXEZZACHSA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1ccc(NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000341097156 367170341 /nfs/dbraw/zinc/17/03/41/367170341.db2.gz WWSQDKDVQQROFE-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c[nH+]cn2c1 ZINC000341190478 367214909 /nfs/dbraw/zinc/21/49/09/367214909.db2.gz QDVRHWFUAGUKKT-UHFFFAOYSA-N 1 0 282.259 2.495 20 5 CEBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171949314 367646204 /nfs/dbraw/zinc/64/62/04/367646204.db2.gz BJWJWWSXPLRAEJ-JTQLQIEISA-N 1 0 279.340 2.172 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000343521061 367861514 /nfs/dbraw/zinc/86/15/14/367861514.db2.gz FWIROSUTBYQARS-ZDUSSCGKSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000174409163 368020169 /nfs/dbraw/zinc/02/01/69/368020169.db2.gz DPFCYMVLXVAVKI-LLVKDONJSA-N 1 0 250.298 2.458 20 5 CEBDRO Cc1c(C(=O)N(CC[NH+](C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000344112103 368108684 /nfs/dbraw/zinc/10/86/84/368108684.db2.gz VDMJNUWUFSAUMV-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000176313060 368223374 /nfs/dbraw/zinc/22/33/74/368223374.db2.gz HYLFRHYTNNJPLC-AWEZNQCLSA-N 1 0 280.299 2.346 20 5 CEBDRO C[N@@H+](CCc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176216437 368212822 /nfs/dbraw/zinc/21/28/22/368212822.db2.gz LWHGUJPBKKZALI-UHFFFAOYSA-N 1 0 292.314 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C)CC1 ZINC000182634750 368573127 /nfs/dbraw/zinc/57/31/27/368573127.db2.gz ZPQWDQSBIUCAIL-GFCCVEGCSA-N 1 0 263.341 2.212 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000349403046 369318922 /nfs/dbraw/zinc/31/89/22/369318922.db2.gz BFPZYMVFZAWDAS-YABQJVKDSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349414230 369323520 /nfs/dbraw/zinc/32/35/20/369323520.db2.gz MXSMZBROPUKNCC-NWDGAFQWSA-N 1 0 292.383 2.395 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189410086 369512438 /nfs/dbraw/zinc/51/24/38/369512438.db2.gz NCCIAVGUKCGMDT-VXGBXAGGSA-N 1 0 293.367 2.421 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230688464 189810890 /nfs/dbraw/zinc/81/08/90/189810890.db2.gz HRHWCGJCCDDUDW-SNVBAGLBSA-N 1 0 258.343 2.153 20 5 CEBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000231393143 189812849 /nfs/dbraw/zinc/81/28/49/189812849.db2.gz CUQKDIPOWLZWKS-LBPRGKRZSA-N 1 0 266.341 2.483 20 5 CEBDRO COCCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189706043 369561904 /nfs/dbraw/zinc/56/19/04/369561904.db2.gz NMMAACIRVBIPSC-CQSZACIVSA-N 1 0 294.351 2.141 20 5 CEBDRO O=c1c([N+](=O)[O-])cc(Cl)cn1CCC[NH+]1CCCCC1 ZINC000276300885 193278593 /nfs/dbraw/zinc/27/85/93/193278593.db2.gz LKVDBJALAJFKDS-UHFFFAOYSA-N 1 0 299.758 2.286 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000190892364 369659812 /nfs/dbraw/zinc/65/98/12/369659812.db2.gz KJRFOWJOYUNAJY-UHFFFAOYSA-N 1 0 294.355 2.400 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000192467365 369816406 /nfs/dbraw/zinc/81/64/06/369816406.db2.gz GMHSSKOLQINSJR-SNVBAGLBSA-N 1 0 284.385 2.362 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352540446 369778959 /nfs/dbraw/zinc/77/89/59/369778959.db2.gz LEZQZMWTWIMQIV-LBPRGKRZSA-N 1 0 280.324 2.072 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000352544096 369780877 /nfs/dbraw/zinc/78/08/77/369780877.db2.gz NQZUXZLNKJNSNJ-LBPRGKRZSA-N 1 0 264.325 2.106 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192782890 369853052 /nfs/dbraw/zinc/85/30/52/369853052.db2.gz XVTFRFZUKHRFEN-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO CCn1ncnc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193488819 369946914 /nfs/dbraw/zinc/94/69/14/369946914.db2.gz TUHYODLYCWDRPR-JTQLQIEISA-N 1 0 275.312 2.057 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)C1CC1 ZINC000353098122 370017266 /nfs/dbraw/zinc/01/72/66/370017266.db2.gz UWEGBOOIFIGZJN-KQIUPUNMSA-N 1 0 276.336 2.216 20 5 CEBDRO COc1ccc(OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000194443480 370039575 /nfs/dbraw/zinc/03/95/75/370039575.db2.gz GCJSHSZFAMMCCG-UHFFFAOYSA-N 1 0 280.324 2.468 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)OC ZINC000353252894 370097225 /nfs/dbraw/zinc/09/72/25/370097225.db2.gz JQKHBTYOXVVTCE-JTQLQIEISA-N 1 0 268.313 2.070 20 5 CEBDRO COc1cc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000213841526 370169317 /nfs/dbraw/zinc/16/93/17/370169317.db2.gz KOYMUKQNJOXJBA-UHFFFAOYSA-N 1 0 295.339 2.118 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000354206270 370260924 /nfs/dbraw/zinc/26/09/24/370260924.db2.gz JTDKUHWHQUQVMC-YRGRVCCFSA-N 1 0 294.351 2.065 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000354458404 370373149 /nfs/dbraw/zinc/37/31/49/370373149.db2.gz FYDPFBQZPXAZNO-UHFFFAOYSA-N 1 0 294.351 2.316 20 5 CEBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000228031117 370392585 /nfs/dbraw/zinc/39/25/85/370392585.db2.gz SMDOBAWHUZSKBG-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000227920297 370389134 /nfs/dbraw/zinc/38/91/34/370389134.db2.gz XYGRXLOJSNVNRH-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO Cn1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000354637527 370445633 /nfs/dbraw/zinc/44/56/33/370445633.db2.gz JGEIJNDJLSUVQS-GQCTYLIASA-N 1 0 286.335 2.174 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884740 370497709 /nfs/dbraw/zinc/49/77/09/370497709.db2.gz ULFZLAURGYDQFL-QWRGUYRKSA-N 1 0 252.314 2.416 20 5 CEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000247349450 371097991 /nfs/dbraw/zinc/09/79/91/371097991.db2.gz VSTBFZVTXPEICG-UHFFFAOYSA-N 1 0 297.380 2.262 20 5 CEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247304301 371090033 /nfs/dbraw/zinc/09/00/33/371090033.db2.gz LNTRHPBKJVEQBH-WCQYABFASA-N 1 0 291.351 2.053 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000359036279 371311050 /nfs/dbraw/zinc/31/10/50/371311050.db2.gz DJIVGGFOWCKUTM-ZDUSSCGKSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236755397 189842684 /nfs/dbraw/zinc/84/26/84/189842684.db2.gz QPXULGWVIANAAI-UHFFFAOYSA-N 1 0 293.367 2.161 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359285494 371410122 /nfs/dbraw/zinc/41/01/22/371410122.db2.gz IANSEJIZCUSXEE-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000250143411 371378982 /nfs/dbraw/zinc/37/89/82/371378982.db2.gz ZLAQUTRUIYNTNG-OUCADQQQSA-N 1 0 262.309 2.252 20 5 CEBDRO CC[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000237039055 189860533 /nfs/dbraw/zinc/86/05/33/189860533.db2.gz WUTSMRSXBTWMEY-SCRDCRAPSA-N 1 0 291.351 2.290 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C(C)C)CC1 ZINC000360950193 371556994 /nfs/dbraw/zinc/55/69/94/371556994.db2.gz ZHDWTRWDTUSLRC-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360996281 371588999 /nfs/dbraw/zinc/58/89/99/371588999.db2.gz RNOXFGBZOKLUPI-JQWIXIFHSA-N 1 0 295.387 2.039 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361164073 371692216 /nfs/dbraw/zinc/69/22/16/371692216.db2.gz CYDJKZLDMOSKIQ-QWHCGFSZSA-N 1 0 277.368 2.428 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H](C)OC ZINC000361574387 371938612 /nfs/dbraw/zinc/93/86/12/371938612.db2.gz VXIGSDLWVWGKTP-LLVKDONJSA-N 1 0 282.340 2.460 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268463222 372108880 /nfs/dbraw/zinc/10/88/80/372108880.db2.gz HOSCIPXMKQHVBR-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnccn2)c(Cl)c1 ZINC000344300911 217140059 /nfs/dbraw/zinc/14/00/59/217140059.db2.gz JSNKIKJNZHKSQW-UHFFFAOYSA-N 1 0 292.726 2.371 20 5 CEBDRO COc1cc(C[N@H+](C)CC2(O)CCC2)c([N+](=O)[O-])cc1F ZINC000362176522 372258769 /nfs/dbraw/zinc/25/87/69/372258769.db2.gz GZHMEVYMXBLYGJ-UHFFFAOYSA-N 1 0 298.314 2.089 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000362373721 372338739 /nfs/dbraw/zinc/33/87/39/372338739.db2.gz OJJRYERDMHUGOL-ONGXEEELSA-N 1 0 277.324 2.039 20 5 CEBDRO Cc1cc(N2CCC([NH2+]C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000269289423 372408000 /nfs/dbraw/zinc/40/80/00/372408000.db2.gz OYZIQQRVLDVJDJ-UHFFFAOYSA-N 1 0 276.340 2.019 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000362560571 372426616 /nfs/dbraw/zinc/42/66/16/372426616.db2.gz INESKHRUEXNKMX-LBPRGKRZSA-N 1 0 278.356 2.380 20 5 CEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000269653153 372521720 /nfs/dbraw/zinc/52/17/20/372521720.db2.gz NFPLBXUWGIQMRC-ZDUSSCGKSA-N 1 0 250.298 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000269662103 372522858 /nfs/dbraw/zinc/52/28/58/372522858.db2.gz QKYJUWMBNVXLLX-KCQAQPDRSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316412 372724442 /nfs/dbraw/zinc/72/44/42/372724442.db2.gz LZRCLESJESUAKJ-GWCFXTLKSA-N 1 0 262.309 2.113 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000270220013 372706825 /nfs/dbraw/zinc/70/68/25/372706825.db2.gz YYRKVCQYDWVDIP-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC000365337983 372831485 /nfs/dbraw/zinc/83/14/85/372831485.db2.gz RNSPJXJUVQBBHE-OCCSQVGLSA-N 1 0 292.339 2.121 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000270567784 372845313 /nfs/dbraw/zinc/84/53/13/372845313.db2.gz XYHNXIOPRWXXHG-UHFFFAOYSA-N 1 0 294.355 2.331 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491684 220115454 /nfs/dbraw/zinc/11/54/54/220115454.db2.gz SLVFTKPXDJXOCF-ZWNOBZJWSA-N 1 0 264.325 2.264 20 5 CEBDRO COCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344704695 217281688 /nfs/dbraw/zinc/28/16/88/217281688.db2.gz WPZQEVZTLWGHKX-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COCCO1 ZINC000344797991 217314047 /nfs/dbraw/zinc/31/40/47/217314047.db2.gz XDJZRTMUXDQVNY-WASHYIJTSA-N 1 0 292.335 2.003 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CO)cc1[N+](=O)[O-] ZINC000271071892 373103444 /nfs/dbraw/zinc/10/34/44/373103444.db2.gz FNHNITYQRKIHES-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn[nH]c1 ZINC000289556305 197401694 /nfs/dbraw/zinc/40/16/94/197401694.db2.gz ABQOCELNVLHBSV-LBPRGKRZSA-N 1 0 288.351 2.471 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000370742708 373734730 /nfs/dbraw/zinc/73/47/30/373734730.db2.gz WVBGAAONCIWWMD-HNNXBMFYSA-N 1 0 276.336 2.392 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000371389811 373866171 /nfs/dbraw/zinc/86/61/71/373866171.db2.gz SVWUYLBFDVVKSW-UHFFFAOYSA-N 1 0 289.335 2.068 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372854598 374212870 /nfs/dbraw/zinc/21/28/70/374212870.db2.gz CSUFSJUNPISFHD-HIFRSBDPSA-N 1 0 276.336 2.360 20 5 CEBDRO CCOC(=O)c1cc(NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000277012223 374377968 /nfs/dbraw/zinc/37/79/68/374377968.db2.gz BDTZMZSZYGKBLH-JTQLQIEISA-N 1 0 295.339 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373602487 374388660 /nfs/dbraw/zinc/38/86/60/374388660.db2.gz FKGSODZIZSGPAA-HUUCEWRRSA-N 1 0 276.336 2.391 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc1 ZINC000277459643 374528494 /nfs/dbraw/zinc/52/84/94/374528494.db2.gz OXACUGXJVUDISF-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277991038 374700220 /nfs/dbraw/zinc/70/02/20/374700220.db2.gz UOJCGRGRJDZXAZ-GWCFXTLKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386129305 375253717 /nfs/dbraw/zinc/25/37/17/375253717.db2.gz OGZSUTBPDFHFKR-WFASDCNBSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000388009249 375282385 /nfs/dbraw/zinc/28/23/85/375282385.db2.gz GRUIPJZMKBIGQJ-PELKAZGASA-N 1 0 270.716 2.061 20 5 CEBDRO C[C@H]1CN(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000408190039 375426006 /nfs/dbraw/zinc/42/60/06/375426006.db2.gz RTGCWHYJJAPTGK-VIFPVBQESA-N 1 0 297.742 2.024 20 5 CEBDRO Nc1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000283478555 375712752 /nfs/dbraw/zinc/71/27/52/375712752.db2.gz GUKOGMVMTXSOIF-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)cs1 ZINC000414531115 375839591 /nfs/dbraw/zinc/83/95/91/375839591.db2.gz FRKZVNGVRALGJT-WCBMZHEXSA-N 1 0 292.307 2.295 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414541741 375844577 /nfs/dbraw/zinc/84/45/77/375844577.db2.gz JNVMNRZXHADXPG-VFFGBVLKSA-N 1 0 291.351 2.111 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000414653288 375902348 /nfs/dbraw/zinc/90/23/48/375902348.db2.gz DZXLLHAEAUXSCU-GHMZBOCLSA-N 1 0 292.339 2.117 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000286440075 375954079 /nfs/dbraw/zinc/95/40/79/375954079.db2.gz JGRBMMZNNTWEAL-TZMCWYRMSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cnc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286479570 375967828 /nfs/dbraw/zinc/96/78/28/375967828.db2.gz UWPVPCIHZILFOL-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414702923 375930276 /nfs/dbraw/zinc/93/02/76/375930276.db2.gz MAUNPXZJFNOEAE-ONGXEEELSA-N 1 0 292.339 2.023 20 5 CEBDRO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000261601832 190041470 /nfs/dbraw/zinc/04/14/70/190041470.db2.gz BVPLPRKTDLHUKN-AAEUAGOBSA-N 1 0 291.351 2.304 20 5 CEBDRO CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286768171 376060610 /nfs/dbraw/zinc/06/06/10/376060610.db2.gz ZRGJUOXMIJXZNK-JTQLQIEISA-N 1 0 269.370 2.182 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000311117384 376654422 /nfs/dbraw/zinc/65/44/22/376654422.db2.gz WQIHLSCOBVDDBL-JTQLQIEISA-N 1 0 252.318 2.130 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCC2)c(F)c1 ZINC000312612361 376721875 /nfs/dbraw/zinc/72/18/75/376721875.db2.gz VAOKBLIDJPKYGO-UHFFFAOYSA-N 1 0 282.315 2.376 20 5 CEBDRO CC(=O)c1cc(N2CC[C@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420261984 376672341 /nfs/dbraw/zinc/67/23/41/376672341.db2.gz QVNOBVVNOIXTAP-GWCFXTLKSA-N 1 0 291.351 2.361 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264615651 190122844 /nfs/dbraw/zinc/12/28/44/190122844.db2.gz ANRDGBSIEDHECH-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000420998191 376772358 /nfs/dbraw/zinc/77/23/58/376772358.db2.gz HYJLLQDXZYUTFK-CQSZACIVSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1c([C@H](C)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186556 377100108 /nfs/dbraw/zinc/10/01/08/377100108.db2.gz KJHNZTPXWYTQCT-NWDGAFQWSA-N 1 0 263.341 2.306 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000291292838 377162816 /nfs/dbraw/zinc/16/28/16/377162816.db2.gz RHNZCVPFEIBBBK-MNOVXSKESA-N 1 0 252.314 2.277 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291357550 377188312 /nfs/dbraw/zinc/18/83/12/377188312.db2.gz YNWDWYLNFHVGLX-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075347 377270218 /nfs/dbraw/zinc/27/02/18/377270218.db2.gz UWBQWKPJSGFJIV-MNOVXSKESA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCC2)cc1[N+](=O)[O-] ZINC000423278450 377205129 /nfs/dbraw/zinc/20/51/29/377205129.db2.gz PZJDPWXVOSHVJG-QMTHXVAHSA-N 1 0 291.351 2.208 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(CC)C1 ZINC000425922773 377386686 /nfs/dbraw/zinc/38/66/86/377386686.db2.gz FHLHFNUUWNRXPX-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](O)C2)c1 ZINC000293005510 377390099 /nfs/dbraw/zinc/39/00/99/377390099.db2.gz HBOLGBVCSXYALO-JTQLQIEISA-N 1 0 290.241 2.180 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000293145538 377445758 /nfs/dbraw/zinc/44/57/58/377445758.db2.gz UNUUPUUKTVHUPH-UHFFFAOYSA-N 1 0 292.335 2.324 20 5 CEBDRO CCOCC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000293216010 377475341 /nfs/dbraw/zinc/47/53/41/377475341.db2.gz JPFUKFUYBXZHAB-UHFFFAOYSA-N 1 0 282.340 2.378 20 5 CEBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000265342063 190175453 /nfs/dbraw/zinc/17/54/53/190175453.db2.gz IQMQOGQVUZPRRB-LLVKDONJSA-N 1 0 296.371 2.019 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600319 190192760 /nfs/dbraw/zinc/19/27/60/190192760.db2.gz ZLUMWJAVPQTCPF-SECBINFHSA-N 1 0 284.747 2.031 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC(O)C1 ZINC000332429126 377599017 /nfs/dbraw/zinc/59/90/17/377599017.db2.gz GPZNRYVPRWMFTI-ALXWSUNGSA-N 1 0 250.298 2.111 20 5 CEBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000194922748 249342143 /nfs/dbraw/zinc/34/21/43/249342143.db2.gz KACASEXDXPSYNI-AWEZNQCLSA-N 1 0 296.371 2.072 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565251382 377625568 /nfs/dbraw/zinc/62/55/68/377625568.db2.gz QVRVVZGSJOYEQW-LLVKDONJSA-N 1 0 279.340 2.078 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293661141 377683189 /nfs/dbraw/zinc/68/31/89/377683189.db2.gz JDUPRWMCUUMBEI-ZDUSSCGKSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1CC(O)C1 ZINC000432365377 377755601 /nfs/dbraw/zinc/75/56/01/377755601.db2.gz SSHSWQLJROQXST-HYXAFXHYSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000437785552 377864415 /nfs/dbraw/zinc/86/44/15/377864415.db2.gz MFEIFEZDGUTHEZ-MURIBYQFSA-N 1 0 287.363 2.434 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000266007010 190222173 /nfs/dbraw/zinc/22/21/73/190222173.db2.gz MHRPRGPQBIWLFH-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447806409 378139718 /nfs/dbraw/zinc/13/97/18/378139718.db2.gz NJRLABDQHXKSDA-NSHDSACASA-N 1 0 295.387 2.169 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000447087551 378091259 /nfs/dbraw/zinc/09/12/59/378091259.db2.gz PAGUNUIFVDOHCA-OAHLLOKOSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000266059418 190226857 /nfs/dbraw/zinc/22/68/57/190226857.db2.gz WBHLAMQSAKMPBC-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450351955 378370441 /nfs/dbraw/zinc/37/04/41/378370441.db2.gz UUSIJDXZJWQOQU-ZYHUDNBSSA-N 1 0 293.371 2.002 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000266136088 190233657 /nfs/dbraw/zinc/23/36/57/190233657.db2.gz FMJMGQKKWRFDAR-CQSZACIVSA-N 1 0 276.292 2.185 20 5 CEBDRO COCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000298510730 378750647 /nfs/dbraw/zinc/75/06/47/378750647.db2.gz QYPXZTPHXQQOHG-UHFFFAOYSA-N 1 0 291.307 2.062 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257389 378843660 /nfs/dbraw/zinc/84/36/60/378843660.db2.gz NCGUGEZIKXUHSA-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395923 378885214 /nfs/dbraw/zinc/88/52/14/378885214.db2.gz IGJOFYZKCISHBK-DZGCQCFKSA-N 1 0 291.351 2.304 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405985 378890720 /nfs/dbraw/zinc/89/07/20/378890720.db2.gz OYHSGTDYQGIGRG-ZYHUDNBSSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413156 378894086 /nfs/dbraw/zinc/89/40/86/378894086.db2.gz SKMSBGNZSNNKKE-KGLIPLIRSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453419949 378898032 /nfs/dbraw/zinc/89/80/32/378898032.db2.gz XLTNQLHCQJHFST-OASPWFOLSA-N 1 0 250.298 2.159 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000278560960 194044393 /nfs/dbraw/zinc/04/43/93/194044393.db2.gz CKILNTYOENXGRH-LSDHHAIUSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@@H](O)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278612425 194067964 /nfs/dbraw/zinc/06/79/64/194067964.db2.gz IXEIGPASTVKTDQ-FZKGZDJFSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C1 ZINC000299678803 379102993 /nfs/dbraw/zinc/10/29/93/379102993.db2.gz VAELHMOLQHHGRP-GHMZBOCLSA-N 1 0 277.324 2.264 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000301279953 379244305 /nfs/dbraw/zinc/24/43/05/379244305.db2.gz MBJAGADETLVKTJ-LBPRGKRZSA-N 1 0 295.387 2.169 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000518144312 379379494 /nfs/dbraw/zinc/37/94/94/379379494.db2.gz GGFFVPIYQIEIOB-TXEJJXNPSA-N 1 0 298.346 2.474 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000302281810 379350700 /nfs/dbraw/zinc/35/07/00/379350700.db2.gz UZWRAABCZIEWAP-UHFFFAOYSA-N 1 0 285.294 2.403 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000456361835 379406180 /nfs/dbraw/zinc/40/61/80/379406180.db2.gz VZBKWJIVQCPSFO-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000347614930 218291794 /nfs/dbraw/zinc/29/17/94/218291794.db2.gz JTYJLQYWWGDYLO-UHFFFAOYSA-N 1 0 288.298 2.338 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266848009 190284042 /nfs/dbraw/zinc/28/40/42/190284042.db2.gz PSFIUXYRMWYGNV-QWHCGFSZSA-N 1 0 292.383 2.465 20 5 CEBDRO COc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000303988417 379506199 /nfs/dbraw/zinc/50/61/99/379506199.db2.gz JYRQQXQQZGGFKC-LLVKDONJSA-N 1 0 282.340 2.195 20 5 CEBDRO Cc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000266928043 190290997 /nfs/dbraw/zinc/29/09/97/190290997.db2.gz RNSSLYUIJJHFAN-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCCSC2)c([N+](=O)[O-])cc1O ZINC000267148024 190306614 /nfs/dbraw/zinc/30/66/14/190306614.db2.gz BNINULWJXFMDDU-JTQLQIEISA-N 1 0 298.364 2.294 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C1CC1 ZINC000289441907 197349195 /nfs/dbraw/zinc/34/91/95/197349195.db2.gz MBTHKGSQKLUQHB-XHDPSFHLSA-N 1 0 278.352 2.276 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000305196613 379680946 /nfs/dbraw/zinc/68/09/46/379680946.db2.gz UEPWWFKVPVGNSG-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000334042476 380220963 /nfs/dbraw/zinc/22/09/63/380220963.db2.gz ORUJGGCYHLQUDJ-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908285 190450482 /nfs/dbraw/zinc/45/04/82/190450482.db2.gz HGIURCQFZPRIKJ-FZMZJTMJSA-N 1 0 296.392 2.422 20 5 CEBDRO CCc1nocc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000550142620 380619179 /nfs/dbraw/zinc/61/91/79/380619179.db2.gz ZFRXHRVXGORURS-UHFFFAOYSA-N 1 0 291.307 2.314 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279284590 194367916 /nfs/dbraw/zinc/36/79/16/194367916.db2.gz OUJAWKRQCIWKJB-FRRDWIJNSA-N 1 0 294.351 2.113 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493514012 381032035 /nfs/dbraw/zinc/03/20/35/381032035.db2.gz DAYZERZBGFWHTR-BQYQJAHWSA-N 1 0 291.351 2.112 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000279357910 194399155 /nfs/dbraw/zinc/39/91/55/194399155.db2.gz WAQDFOPVPPHFNA-OLZOCXBDSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000280300675 194789820 /nfs/dbraw/zinc/78/98/20/194789820.db2.gz OEGJRWCHEOTQHR-BXUZGUMPSA-N 1 0 264.325 2.152 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000288441736 197079366 /nfs/dbraw/zinc/07/93/66/197079366.db2.gz OWLLTHWMXFKHMK-ZDUSSCGKSA-N 1 0 292.383 2.488 20 5 CEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345451 195206335 /nfs/dbraw/zinc/20/63/35/195206335.db2.gz ZLQFHRNQHRJDSQ-XHDPSFHLSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094371911 184791005 /nfs/dbraw/zinc/79/10/05/184791005.db2.gz KQHFLGPCQOTTAS-ZFWWWQNUSA-N 1 0 292.335 2.023 20 5 CEBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000190933313 533263875 /nfs/dbraw/zinc/26/38/75/533263875.db2.gz RPTNVSBBOGVSQD-RYUDHWBXSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000237778532 131056526 /nfs/dbraw/zinc/05/65/26/131056526.db2.gz UEOCLMMNFRWTPO-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO CCOc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000314316160 134425012 /nfs/dbraw/zinc/42/50/12/134425012.db2.gz YBCYYDOBCLQYJV-NWDGAFQWSA-N 1 0 291.351 2.039 20 5 CEBDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421015549 394463984 /nfs/dbraw/zinc/46/39/84/394463984.db2.gz XEIVWYWNAWDWHT-CYBMUJFWSA-N 1 0 293.367 2.129 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421034420 394475537 /nfs/dbraw/zinc/47/55/37/394475537.db2.gz KEPCXQPDENQSSK-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000304284156 394483120 /nfs/dbraw/zinc/48/31/20/394483120.db2.gz FIAMZHQAQRDCPE-RISCZKNCSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000235362216 394484207 /nfs/dbraw/zinc/48/42/07/394484207.db2.gz RZPNOGNQHFTKOD-ZWNOBZJWSA-N 1 0 263.341 2.467 20 5 CEBDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766529 394497885 /nfs/dbraw/zinc/49/78/85/394497885.db2.gz APXYSQTXUNTTLE-MFKMUULPSA-N 1 0 279.340 2.145 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000413234455 394509494 /nfs/dbraw/zinc/50/94/94/394509494.db2.gz MKAWFYHJTGADJR-JTQLQIEISA-N 1 0 296.346 2.295 20 5 CEBDRO C[C@H]1C[C@@H]1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356530778 394580064 /nfs/dbraw/zinc/58/00/64/394580064.db2.gz QTNWNWJJVZPFPY-WDEREUQCSA-N 1 0 262.309 2.445 20 5 CEBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413346907 394531639 /nfs/dbraw/zinc/53/16/39/394531639.db2.gz JKCSHJWRQGEARW-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+](C)C1CC1 ZINC000413350828 394533071 /nfs/dbraw/zinc/53/30/71/394533071.db2.gz YCJNPVHXITUNBP-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC(C)(C)C[NH+](C)C)n1 ZINC000413365636 394535470 /nfs/dbraw/zinc/53/54/70/394535470.db2.gz RUGRMIIKERHRCI-UHFFFAOYSA-N 1 0 266.345 2.359 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000413441472 394553236 /nfs/dbraw/zinc/55/32/36/394553236.db2.gz POOLZGLCOCZJFF-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072875553 394600652 /nfs/dbraw/zinc/60/06/52/394600652.db2.gz ZMFRHSADRNERLS-SMDDNHRTSA-N 1 0 289.335 2.184 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000421874988 394623722 /nfs/dbraw/zinc/62/37/22/394623722.db2.gz JKNYLKMGGVEFAV-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000078617852 394627144 /nfs/dbraw/zinc/62/71/44/394627144.db2.gz DBIFSJSUQFWJNY-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356873324 394639090 /nfs/dbraw/zinc/63/90/90/394639090.db2.gz KEWZLXWHAHBAHE-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414717092 394749366 /nfs/dbraw/zinc/74/93/66/394749366.db2.gz XPPJYWZXKYTZLO-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000269208583 394713404 /nfs/dbraw/zinc/71/34/04/394713404.db2.gz MSHRVAKBURJKOF-PELKAZGASA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272249933 394768849 /nfs/dbraw/zinc/76/88/49/394768849.db2.gz YBBGAANEJSETNB-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272250240 394769224 /nfs/dbraw/zinc/76/92/24/394769224.db2.gz YHGWSJHHMDEPNF-NOZJJQNGSA-N 1 0 297.305 2.403 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414940748 394814249 /nfs/dbraw/zinc/81/42/49/394814249.db2.gz XXIRPGJRCALYLL-NOZJJQNGSA-N 1 0 283.759 2.336 20 5 CEBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000415049584 394863906 /nfs/dbraw/zinc/86/39/06/394863906.db2.gz DMLXIFUZHZIGDZ-JTQLQIEISA-N 1 0 295.236 2.103 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000415068892 394872729 /nfs/dbraw/zinc/87/27/29/394872729.db2.gz RQCUJVAQAWVRDS-CQSZACIVSA-N 1 0 263.341 2.202 20 5 CEBDRO CC(C)C[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000361829321 394836254 /nfs/dbraw/zinc/83/62/54/394836254.db2.gz INOGMEWCNYVCJY-UHFFFAOYSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414992052 394839297 /nfs/dbraw/zinc/83/92/97/394839297.db2.gz QZCANROAFNUWEX-WCQYABFASA-N 1 0 265.357 2.243 20 5 CEBDRO CCC[N@@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000125666186 394844158 /nfs/dbraw/zinc/84/41/58/394844158.db2.gz UOQBSGGROOOYDS-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000362373718 394857287 /nfs/dbraw/zinc/85/72/87/394857287.db2.gz OJJRYERDMHUGOL-GXSJLCMTSA-N 1 0 277.324 2.039 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000364299483 394892770 /nfs/dbraw/zinc/89/27/70/394892770.db2.gz DINYQICAKGMNDA-WFASDCNBSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131785381 394919030 /nfs/dbraw/zinc/91/90/30/394919030.db2.gz TYGHHZPXJZZGGX-DCAQKATOSA-N 1 0 252.314 2.262 20 5 CEBDRO C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423481611 394930034 /nfs/dbraw/zinc/93/00/34/394930034.db2.gz WZYPPHBKRMZWAG-RBZYPMLTSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000365991434 394936208 /nfs/dbraw/zinc/93/62/08/394936208.db2.gz UNUMDBVTFUFOIO-UHFFFAOYSA-N 1 0 289.335 2.470 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415506812 394938915 /nfs/dbraw/zinc/93/89/15/394938915.db2.gz SCVUOJOUCWDWSO-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636144 394950057 /nfs/dbraw/zinc/95/00/57/394950057.db2.gz WSHFZLCVNUGMPK-ZDUSSCGKSA-N 1 0 298.318 2.229 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341708416 395004307 /nfs/dbraw/zinc/00/43/07/395004307.db2.gz WLVSWHQMZTYXTJ-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000154954367 395024671 /nfs/dbraw/zinc/02/46/71/395024671.db2.gz MKCDTKUFLRKMQS-LBPRGKRZSA-N 1 0 290.367 2.443 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415757696 394961308 /nfs/dbraw/zinc/96/13/08/394961308.db2.gz GKXQBNKVXOUTLH-LBPRGKRZSA-N 1 0 294.355 2.262 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccco1 ZINC000285758504 394963331 /nfs/dbraw/zinc/96/33/31/394963331.db2.gz VHHXPXVPPJEUHF-ZDUSSCGKSA-N 1 0 290.323 2.485 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000423705717 394971069 /nfs/dbraw/zinc/97/10/69/394971069.db2.gz LNYQTHXOOFGMHV-UHFFFAOYSA-N 1 0 291.351 2.280 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289411917 395077095 /nfs/dbraw/zinc/07/70/95/395077095.db2.gz AJWYXGZXDPQJIR-LLVKDONJSA-N 1 0 294.355 2.445 20 5 CEBDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000289793031 395087562 /nfs/dbraw/zinc/08/75/62/395087562.db2.gz NHWPBTYVPJQQQN-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000168714316 395088387 /nfs/dbraw/zinc/08/83/87/395088387.db2.gz ADBZLOFYVFEKAY-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CN(C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000286990614 395032432 /nfs/dbraw/zinc/03/24/32/395032432.db2.gz JOXVRXVDIXZTFJ-AWEZNQCLSA-N 1 0 277.368 2.468 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423952104 395033362 /nfs/dbraw/zinc/03/33/62/395033362.db2.gz ZPBAAKGILRVBGQ-JTQLQIEISA-N 1 0 297.380 2.212 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433793334 395248251 /nfs/dbraw/zinc/24/82/51/395248251.db2.gz RUXQQBOIKVPODB-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292345730 395193292 /nfs/dbraw/zinc/19/32/92/395193292.db2.gz QJJMKOUHSWUMTG-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH3+])CC1 ZINC000420278155 395291396 /nfs/dbraw/zinc/29/13/96/395291396.db2.gz UXFVPAYZPUISCR-LLVKDONJSA-N 1 0 263.341 2.387 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473242 395300047 /nfs/dbraw/zinc/30/00/47/395300047.db2.gz ZRFUWGSWFQERLO-QWRGUYRKSA-N 1 0 294.330 2.192 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000295976077 395304951 /nfs/dbraw/zinc/30/49/51/395304951.db2.gz KTPVQZMDBHADLG-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000183604693 395259740 /nfs/dbraw/zinc/25/97/40/395259740.db2.gz SWSQZPGCRXMLOJ-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184528892 395274496 /nfs/dbraw/zinc/27/44/96/395274496.db2.gz GIHAPWSOXCGVNP-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000420636383 395395231 /nfs/dbraw/zinc/39/52/31/395395231.db2.gz NHEAANWGSYGPMK-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000420355527 395343309 /nfs/dbraw/zinc/34/33/09/395343309.db2.gz BYZDODPAWUKGOX-JTNHKYCSSA-N 1 0 263.341 2.071 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000420935934 395438564 /nfs/dbraw/zinc/43/85/64/395438564.db2.gz KATLDAZRYDGRPW-WZRBSPASSA-N 1 0 264.325 2.325 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000420935399 395439331 /nfs/dbraw/zinc/43/93/31/395439331.db2.gz JYIUPENRBIJNJH-GDLCADMTSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258085 395600103 /nfs/dbraw/zinc/60/01/03/395600103.db2.gz AFBVNWHALSESAE-GXTWGEPZSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000573666328 395613849 /nfs/dbraw/zinc/61/38/49/395613849.db2.gz LTCVUQOXJCQJHE-PRWKNARSSA-N 1 0 296.392 2.465 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451436936 395618284 /nfs/dbraw/zinc/61/82/84/395618284.db2.gz KZLPSCHHVJYEBG-NOZJJQNGSA-N 1 0 286.278 2.358 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COCC1(C)C ZINC000451812749 395625261 /nfs/dbraw/zinc/62/52/61/395625261.db2.gz PLPDZNVQINVLDR-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000212604180 400304631 /nfs/dbraw/zinc/30/46/31/400304631.db2.gz NBYQBEXZDVIAGZ-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305153123 289271508 /nfs/dbraw/zinc/27/15/08/289271508.db2.gz UTRRQUXOBVGYAJ-NWDGAFQWSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000088147793 292282389 /nfs/dbraw/zinc/28/23/89/292282389.db2.gz QGZLCEUCGQGZHR-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000192650197 153215447 /nfs/dbraw/zinc/21/54/47/153215447.db2.gz SOWLWRHLHDFOCD-VXGBXAGGSA-N 1 0 295.387 2.404 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000226775127 153338753 /nfs/dbraw/zinc/33/87/53/153338753.db2.gz JYNNIUWYJBIXLV-DTWKUNHWSA-N 1 0 268.342 2.090 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000229885159 153375046 /nfs/dbraw/zinc/37/50/46/153375046.db2.gz JJGGCNBUBMRDLF-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230151798 153379519 /nfs/dbraw/zinc/37/95/19/153379519.db2.gz BQEDCEQKEIEFBR-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230155399 153386013 /nfs/dbraw/zinc/38/60/13/153386013.db2.gz HGVRSEHTKOCQJY-KWQFWETISA-N 1 0 256.327 2.313 20 5 CEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261672300 153806006 /nfs/dbraw/zinc/80/60/06/153806006.db2.gz FZCHYRZWWJHJCD-MFKMUULPSA-N 1 0 277.324 2.441 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c1 ZINC000261688691 153811358 /nfs/dbraw/zinc/81/13/58/153811358.db2.gz NCPJNUPIGXVMNO-COPLHBTASA-N 1 0 291.351 2.020 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344183846 154276267 /nfs/dbraw/zinc/27/62/67/154276267.db2.gz UMRNWXFRLGCBRT-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357076282 154373405 /nfs/dbraw/zinc/37/34/05/154373405.db2.gz WRDBWOLCTIXZCU-OLZOCXBDSA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367094260 156131426 /nfs/dbraw/zinc/13/14/26/156131426.db2.gz XLWULBDNTPDHKU-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000367123358 156138416 /nfs/dbraw/zinc/13/84/16/156138416.db2.gz QGIYYXVOBCLXOF-JSGCOSHPSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367697174 156225614 /nfs/dbraw/zinc/22/56/14/156225614.db2.gz BANUQBVXMKOHFT-CYUUQNCZSA-N 1 0 290.363 2.398 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375016987 157037430 /nfs/dbraw/zinc/03/74/30/157037430.db2.gz GMJKUILECUPHBG-SWLSCSKDSA-N 1 0 275.352 2.121 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174699647 165114157 /nfs/dbraw/zinc/11/41/57/165114157.db2.gz XBIPOGHBJWZYKF-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174818832 165119287 /nfs/dbraw/zinc/11/92/87/165119287.db2.gz IRGAJLJUZLBYBU-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000035274486 172094480 /nfs/dbraw/zinc/09/44/80/172094480.db2.gz AWTWIBZBAXADFT-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO CCC[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471732 196294314 /nfs/dbraw/zinc/29/43/14/196294314.db2.gz HOENNODEJBGWLC-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037266974 173075623 /nfs/dbraw/zinc/07/56/23/173075623.db2.gz ZMSGVKVRCQYUST-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000038079457 174089150 /nfs/dbraw/zinc/08/91/50/174089150.db2.gz VYMZJQRLBXEACY-SMDDNHRTSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040464246 174273335 /nfs/dbraw/zinc/27/33/35/174273335.db2.gz ZBSWASFBOZQIHR-BXKDBHETSA-N 1 0 279.340 2.145 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045706127 175382658 /nfs/dbraw/zinc/38/26/58/175382658.db2.gz XNMLSWAQFSREDY-GFCCVEGCSA-N 1 0 295.383 2.423 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054775481 175564286 /nfs/dbraw/zinc/56/42/86/175564286.db2.gz JPUFVBAGVIRBRW-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070172824 175877984 /nfs/dbraw/zinc/87/79/84/175877984.db2.gz YZNGLFBIQAWBIZ-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172826 175878217 /nfs/dbraw/zinc/87/82/17/175878217.db2.gz YZNGLFBIQAWBIZ-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071315423 176121619 /nfs/dbraw/zinc/12/16/19/176121619.db2.gz VOLMNAXPVHUNHI-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000075841085 176802720 /nfs/dbraw/zinc/80/27/20/176802720.db2.gz GTLSXECVSXJBJC-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739421 262384248 /nfs/dbraw/zinc/38/42/48/262384248.db2.gz WCZQJNGEWLJOMD-DCAQKATOSA-N 1 0 296.396 2.218 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390533 263261309 /nfs/dbraw/zinc/26/13/09/263261309.db2.gz YFICBOOAFUGZMZ-MWLCHTKSSA-N 1 0 279.340 2.078 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186020460 270247741 /nfs/dbraw/zinc/24/77/41/270247741.db2.gz RFJVSHGXNGRFNI-UHFFFAOYSA-N 1 0 299.758 2.205 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189977307 270265474 /nfs/dbraw/zinc/26/54/74/270265474.db2.gz MGHJFEXKDAIOGP-JSGCOSHPSA-N 1 0 264.325 2.236 20 5 CEBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190039835 270266528 /nfs/dbraw/zinc/26/65/28/270266528.db2.gz ANBGETXGNKHBFL-STQMWFEESA-N 1 0 298.412 2.445 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162231 270332696 /nfs/dbraw/zinc/33/26/96/270332696.db2.gz FZGRUZYYAUQXEI-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316498219 270334458 /nfs/dbraw/zinc/33/44/58/270334458.db2.gz WNBNDYFJRPZQMN-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399618434 270370875 /nfs/dbraw/zinc/37/08/75/270370875.db2.gz ZVXFLRUBONMQHZ-SUNKGSAMSA-N 1 0 293.367 2.391 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000420621360 270544922 /nfs/dbraw/zinc/54/49/22/270544922.db2.gz CRADKDGRBBCQBM-UHFFFAOYSA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421372615 270612905 /nfs/dbraw/zinc/61/29/05/270612905.db2.gz LBVQPWKZKWDEKD-FAQJLRJSSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423361770 270904377 /nfs/dbraw/zinc/90/43/77/270904377.db2.gz MOHAEIDKOZVIFR-MJVIPROJSA-N 1 0 263.341 2.243 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423486900 270917078 /nfs/dbraw/zinc/91/70/78/270917078.db2.gz WTZUCBCDORLLTD-ZDUSSCGKSA-N 1 0 291.351 2.185 20 5 CEBDRO Cc1c(CC(=O)NC(C)(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000423682237 270930747 /nfs/dbraw/zinc/93/07/47/270930747.db2.gz ODXMSQONDYSFQP-UHFFFAOYSA-N 1 0 293.367 2.079 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000428461540 271271047 /nfs/dbraw/zinc/27/10/47/271271047.db2.gz OZZCRZDYVVXGJE-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000429264349 271317468 /nfs/dbraw/zinc/31/74/68/271317468.db2.gz OYNKHTOGMFQIEU-UHFFFAOYSA-N 1 0 292.339 2.328 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430551260 271388078 /nfs/dbraw/zinc/38/80/78/271388078.db2.gz LKFVDELGWQEZLP-MNOVXSKESA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936465 274293096 /nfs/dbraw/zinc/29/30/96/274293096.db2.gz WDSAUQFXKMIIBX-SECBINFHSA-N 1 0 265.269 2.487 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261891521 274376347 /nfs/dbraw/zinc/37/63/47/274376347.db2.gz TYXNZOTYGAALHT-SECBINFHSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000135104230 274661060 /nfs/dbraw/zinc/66/10/60/274661060.db2.gz PYWJOZWLBXCFRC-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000232978309 276107250 /nfs/dbraw/zinc/10/72/50/276107250.db2.gz FVCJXHHXYDCJNN-ZDUSSCGKSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000362666737 277206557 /nfs/dbraw/zinc/20/65/57/277206557.db2.gz FVSUSBHXIOLXBZ-RYUDHWBXSA-N 1 0 298.346 2.141 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417358798 278389604 /nfs/dbraw/zinc/38/96/04/278389604.db2.gz UNLKYSNSYSYRIO-XWIASGKRSA-N 1 0 250.298 2.159 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000295160296 278988479 /nfs/dbraw/zinc/98/84/79/278988479.db2.gz KNAGPMISNVTFKL-GYSYKLTISA-N 1 0 264.325 2.293 20 5 CEBDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766527 279596470 /nfs/dbraw/zinc/59/64/70/279596470.db2.gz APXYSQTXUNTTLE-GWCFXTLKSA-N 1 0 279.340 2.145 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309490 279687389 /nfs/dbraw/zinc/68/73/89/279687389.db2.gz QIWWERSQQTXAQF-RYUDHWBXSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223164262 280212422 /nfs/dbraw/zinc/21/24/22/280212422.db2.gz IWUNNSMBIJNPNI-NEPJUHHUSA-N 1 0 280.324 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000094368152 280364485 /nfs/dbraw/zinc/36/44/85/280364485.db2.gz UGMKCVBDLDRMHL-UKRRQHHQSA-N 1 0 292.335 2.023 20 5 CEBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000135265751 288264796 /nfs/dbraw/zinc/26/47/96/288264796.db2.gz SYMPJXTVDRJOQM-AOOOYVTPSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000356794850 281012243 /nfs/dbraw/zinc/01/22/43/281012243.db2.gz NNJAROJZOVIYIA-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063192570 281016523 /nfs/dbraw/zinc/01/65/23/281016523.db2.gz HBNSQSNLCASPHO-SMDDNHRTSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1ccc([C@@H](C)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331105 281024479 /nfs/dbraw/zinc/02/44/79/281024479.db2.gz UQXVREGBBHMCQN-MFKMUULPSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000194569531 281257789 /nfs/dbraw/zinc/25/77/89/281257789.db2.gz ILPWZHLGZMQSFQ-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccnc(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000265294771 281453540 /nfs/dbraw/zinc/45/35/40/281453540.db2.gz YRLXOPFMOBERIH-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO CCOCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511336 281830637 /nfs/dbraw/zinc/83/06/37/281830637.db2.gz LMOOSBLWAZILQO-STQMWFEESA-N 1 0 296.371 2.291 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000459544041 290174703 /nfs/dbraw/zinc/17/47/03/290174703.db2.gz CQLOIZBWGOHRGZ-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000459610001 290194232 /nfs/dbraw/zinc/19/42/32/290194232.db2.gz KDNLOUQMCIICHM-MFKMUULPSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459779289 290237163 /nfs/dbraw/zinc/23/71/63/290237163.db2.gz FNWFCHFFTIILAZ-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459791151 290240831 /nfs/dbraw/zinc/24/08/31/290240831.db2.gz SLZUOZNCKXYGGK-GRYCIOLGSA-N 1 0 289.335 2.312 20 5 CEBDRO COCCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488733189 290416531 /nfs/dbraw/zinc/41/65/31/290416531.db2.gz LZSNKRMRWDXESO-UHFFFAOYSA-N 1 0 296.371 2.245 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000517903026 297628174 /nfs/dbraw/zinc/62/81/74/297628174.db2.gz GHSRWVOGMQADLO-SNVBAGLBSA-N 1 0 290.367 2.126 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000539042727 298243648 /nfs/dbraw/zinc/24/36/48/298243648.db2.gz HQWRISKJBQYWRF-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000539124806 298245092 /nfs/dbraw/zinc/24/50/92/298245092.db2.gz UCWPUTKPCZTWMG-WDEREUQCSA-N 1 0 279.340 2.031 20 5 CEBDRO Cc1cc(C(=O)NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000565596633 298912398 /nfs/dbraw/zinc/91/23/98/298912398.db2.gz OZGYJVGAYYNKJN-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000338796470 301205347 /nfs/dbraw/zinc/20/53/47/301205347.db2.gz SLZILRSDLFRHIH-TXEJJXNPSA-N 1 0 278.356 2.135 20 5 CEBDRO CC[NH2+]CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515634232 313075030 /nfs/dbraw/zinc/07/50/30/313075030.db2.gz SWBXONBXHGIJEN-NSHDSACASA-N 1 0 251.330 2.245 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000569807238 314015903 /nfs/dbraw/zinc/01/59/03/314015903.db2.gz QOZNUWAGOFHZFQ-AAEUAGOBSA-N 1 0 280.349 2.163 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000573718022 314173021 /nfs/dbraw/zinc/17/30/21/314173021.db2.gz GKJQXKGUIUUVQD-RYUDHWBXSA-N 1 0 264.329 2.056 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000574219057 314198412 /nfs/dbraw/zinc/19/84/12/314198412.db2.gz INFOXVDVHJFHEU-RISCZKNCSA-N 1 0 298.346 2.452 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000576128803 314246237 /nfs/dbraw/zinc/24/62/37/314246237.db2.gz DJVFKBQFIVRAHG-RYUDHWBXSA-N 1 0 293.367 2.467 20 5 CEBDRO Cc1cc(N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000576809316 314312597 /nfs/dbraw/zinc/31/25/97/314312597.db2.gz PKDZRRFQHUFMAD-UHFFFAOYSA-N 1 0 275.352 2.483 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578731604 314510639 /nfs/dbraw/zinc/51/06/39/314510639.db2.gz KESDEMBALZSLJZ-STQMWFEESA-N 1 0 298.346 2.189 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCCn2ccnn2)cccc1[N+](=O)[O-] ZINC000184276523 321729136 /nfs/dbraw/zinc/72/91/36/321729136.db2.gz OAMXCJYLDYUETL-GFCCVEGCSA-N 1 0 289.339 2.236 20 5 CEBDRO C[C@@H]1CC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000580694466 322335523 /nfs/dbraw/zinc/33/55/23/322335523.db2.gz XKZYBFUKWZDXDL-RKDXNWHRSA-N 1 0 290.323 2.261 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCF)n1 ZINC000581587723 322407815 /nfs/dbraw/zinc/40/78/15/322407815.db2.gz JZWPDIAWLOXABN-GHMZBOCLSA-N 1 0 270.308 2.224 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000582608510 322488012 /nfs/dbraw/zinc/48/80/12/322488012.db2.gz ISESHLIUDUMKNC-BXUZGUMPSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1ccc(NCc2cnc3n2CCCC3)cn1 ZINC000561350661 327388301 /nfs/dbraw/zinc/38/83/01/327388301.db2.gz BWLFHWYKTBLKGQ-UHFFFAOYSA-N 1 0 273.296 2.135 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCO ZINC000562338916 327472524 /nfs/dbraw/zinc/47/25/24/327472524.db2.gz QDYYWNIZHUDZAB-LLVKDONJSA-N 1 0 252.314 2.326 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396668218 329317077 /nfs/dbraw/zinc/31/70/77/329317077.db2.gz QUPXHSXBQLVYFK-LLVKDONJSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414524379 533871820 /nfs/dbraw/zinc/87/18/20/533871820.db2.gz ZLXXMWJWGNPWSP-NTZNESFSSA-N 1 0 264.325 2.498 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000414659869 534181921 /nfs/dbraw/zinc/18/19/21/534181921.db2.gz NMFFJMWJDVYAOA-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414656224 534343395 /nfs/dbraw/zinc/34/33/95/534343395.db2.gz IBTJUHNYKFWYOP-ZYHUDNBSSA-N 1 0 292.339 2.023 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000155948119 519829219 /nfs/dbraw/zinc/82/92/19/519829219.db2.gz QABMNIDMLBTPHS-ZDUSSCGKSA-N 1 0 280.328 2.090 20 5 CEBDRO Cc1ccsc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000357666062 534470174 /nfs/dbraw/zinc/47/01/74/534470174.db2.gz NPXYYGYWZSETEK-UHFFFAOYSA-N 1 0 280.353 2.293 20 5 CEBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069093138 521511633 /nfs/dbraw/zinc/51/16/33/521511633.db2.gz JPBXUYZVOQUAKE-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000054602269 527146122 /nfs/dbraw/zinc/14/61/22/527146122.db2.gz ZTZJBYZOENEXBC-AGUYFDCRSA-N 1 0 275.352 2.439 20 5 CEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451608 527461983 /nfs/dbraw/zinc/46/19/83/527461983.db2.gz VTTGSFMSOQUXHE-CYBMUJFWSA-N 1 0 286.335 2.318 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC12CCCC2 ZINC000366113842 527486991 /nfs/dbraw/zinc/48/69/91/527486991.db2.gz CLSOBYQFHVLRQZ-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415483807 528506598 /nfs/dbraw/zinc/50/65/98/528506598.db2.gz MWSDLGNYUDAUNY-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO Cc1noc(C)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685332 574445006 /nfs/dbraw/zinc/44/50/06/574445006.db2.gz FIFCHJCXONZPIB-CQSZACIVSA-N 1 0 291.307 2.023 20 5 CEBDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc([N+](=O)[O-])cc1 ZINC000757695849 574514206 /nfs/dbraw/zinc/51/42/06/574514206.db2.gz AKDXXPHXIISGBX-SNVBAGLBSA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1ccnc(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742426811 575021345 /nfs/dbraw/zinc/02/13/45/575021345.db2.gz CIFOKYBUPYZRLB-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000749392588 575217688 /nfs/dbraw/zinc/21/76/88/575217688.db2.gz PMGHTULLEJYTIF-GFCCVEGCSA-N 1 0 263.341 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccsc2)c1 ZINC000749677550 575229081 /nfs/dbraw/zinc/22/90/81/575229081.db2.gz PCCSNBCCZOKEBL-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000750016138 575243584 /nfs/dbraw/zinc/24/35/84/575243584.db2.gz KJUIAHQSHXTUFL-VIFPVBQESA-N 1 0 299.758 2.157 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000751950062 575302498 /nfs/dbraw/zinc/30/24/98/575302498.db2.gz ODJKDLAUKJEBQQ-ZDUSSCGKSA-N 1 0 290.323 2.013 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000890887800 623041081 /nfs/dbraw/zinc/04/10/81/623041081.db2.gz OTODCILZQPIRMJ-UHFFFAOYSA-N 1 0 293.367 2.255 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050372637 623403768 /nfs/dbraw/zinc/40/37/68/623403768.db2.gz BLNWYFLFZXTAPX-KBPBESRZSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1c(Cn2cc(C[NH2+]C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000090297387 623525840 /nfs/dbraw/zinc/52/58/40/623525840.db2.gz FMVLLWQOBWQZQP-UHFFFAOYSA-N 1 0 289.339 2.041 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])cnn1C ZINC000891572316 623795423 /nfs/dbraw/zinc/79/54/23/623795423.db2.gz DAGFARFNJCUKPB-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000934035620 624181305 /nfs/dbraw/zinc/18/13/05/624181305.db2.gz AOKOJCKGAVEYAR-NSHDSACASA-N 1 0 295.339 2.057 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CC[NH2+]C1 ZINC000051890805 624673434 /nfs/dbraw/zinc/67/34/34/624673434.db2.gz PIVTZXALLNEWAG-QMMMGPOBSA-N 1 0 256.689 2.237 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000820596676 634466573 /nfs/dbraw/zinc/46/65/73/634466573.db2.gz UJIJUEKLAFPGED-PELKAZGASA-N 1 0 285.294 2.402 20 5 CEBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000057994223 627383369 /nfs/dbraw/zinc/38/33/69/627383369.db2.gz MGRNODOGGFXKPH-ZDUSSCGKSA-N 1 0 277.368 2.416 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000892824374 627793953 /nfs/dbraw/zinc/79/39/53/627793953.db2.gz PPDWVTZHFMJBTB-WDEREUQCSA-N 1 0 294.355 2.283 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCC(F)(F)F)c1[N+](=O)[O-] ZINC000893084382 627988574 /nfs/dbraw/zinc/98/85/74/627988574.db2.gz SHTHTIDJPVIKLO-UHFFFAOYSA-N 1 0 294.229 2.351 20 5 CEBDRO CC1(C)C[C@@H](NCC2([NH3+])CC2)c2cc([N+](=O)[O-])ccc21 ZINC000902407795 634622061 /nfs/dbraw/zinc/62/20/61/634622061.db2.gz VALFUGVXFSYFOY-CYBMUJFWSA-N 1 0 275.352 2.398 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000893136257 628030701 /nfs/dbraw/zinc/03/07/01/628030701.db2.gz WAGRIMILLVLVMJ-CYBMUJFWSA-N 1 0 286.335 2.111 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)SC)c1[N+](=O)[O-] ZINC000893180434 628094962 /nfs/dbraw/zinc/09/49/62/628094962.db2.gz GJWQZHAOEHCQFV-MRVPVSSYSA-N 1 0 286.353 2.150 20 5 CEBDRO CCOc1ccc([C@H](C)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902412766 634630829 /nfs/dbraw/zinc/63/08/29/634630829.db2.gz DFZMQMFSJVZLCR-JTQLQIEISA-N 1 0 279.340 2.135 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280386 628236190 /nfs/dbraw/zinc/23/61/90/628236190.db2.gz WUXRSZRIUHMAEB-OBCWZRDOSA-N 1 0 294.351 2.438 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000053202286 628250897 /nfs/dbraw/zinc/25/08/97/628250897.db2.gz UWXDUVPRFKTDPR-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776592017 628500317 /nfs/dbraw/zinc/50/03/17/628500317.db2.gz OIWANGSANVJIAP-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1c([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC000902471390 634687423 /nfs/dbraw/zinc/68/74/23/634687423.db2.gz ONWDRUMWWPNSEK-CDGCEXEKSA-N 1 0 275.352 2.447 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261596887 628943617 /nfs/dbraw/zinc/94/36/17/628943617.db2.gz UIQRTMWPNVTAKN-LLVKDONJSA-N 1 0 280.328 2.090 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000261645574 628958369 /nfs/dbraw/zinc/95/83/69/628958369.db2.gz GSWKZWISZMXARN-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893938748 629054062 /nfs/dbraw/zinc/05/40/62/629054062.db2.gz FQDNAAOOQSFWNG-FZMZJTMJSA-N 1 0 261.325 2.044 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000894119907 629141885 /nfs/dbraw/zinc/14/18/85/629141885.db2.gz LZNYAMHESYRPHB-SECBINFHSA-N 1 0 298.364 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000052165640 629180245 /nfs/dbraw/zinc/18/02/45/629180245.db2.gz LTQPKXLZYLHUFX-UHFFFAOYSA-N 1 0 293.342 2.262 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000794949048 629368380 /nfs/dbraw/zinc/36/83/80/629368380.db2.gz NWRIKRLSOPZELR-QMTHXVAHSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccnc(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894797584 629646211 /nfs/dbraw/zinc/64/62/11/629646211.db2.gz NMTMLPOZZTWQLQ-GASCZTMLSA-N 1 0 290.367 2.076 20 5 CEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000894879905 629714623 /nfs/dbraw/zinc/71/46/23/629714623.db2.gz XRDDMFYPAZKLAO-PHIMTYICSA-N 1 0 265.288 2.017 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000796309907 629840995 /nfs/dbraw/zinc/84/09/95/629840995.db2.gz NEWZDORRPWWTTO-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO CC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000895100522 629896750 /nfs/dbraw/zinc/89/67/50/629896750.db2.gz UVSFBKNDNSBSFM-TXEJJXNPSA-N 1 0 278.356 2.217 20 5 CEBDRO CC1=NO[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895301629 630090842 /nfs/dbraw/zinc/09/08/42/630090842.db2.gz JJSNMPLKXOCWNX-LBPRGKRZSA-N 1 0 277.324 2.466 20 5 CEBDRO C=C/C=C\CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895540250 630242038 /nfs/dbraw/zinc/24/20/38/630242038.db2.gz AHAVYNXPZQJODA-ARJAWSKDSA-N 1 0 262.313 2.217 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895668606 630299346 /nfs/dbraw/zinc/29/93/46/630299346.db2.gz OVEBJPXZFZGHQY-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CC2)c1C ZINC000895877137 630382028 /nfs/dbraw/zinc/38/20/28/630382028.db2.gz YIAIFKJNSSSDBR-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCS1 ZINC000896950940 630838353 /nfs/dbraw/zinc/83/83/53/630838353.db2.gz FZCXMTFBMVGFFR-QYNFOATHSA-N 1 0 296.396 2.369 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000800847181 631148959 /nfs/dbraw/zinc/14/89/59/631148959.db2.gz QQXUXQXMUYZFGT-JTQLQIEISA-N 1 0 276.340 2.073 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847837 631148993 /nfs/dbraw/zinc/14/89/93/631148993.db2.gz KFPZBCLHAPCNIX-LBPRGKRZSA-N 1 0 278.356 2.144 20 5 CEBDRO C[C@H](C[NH2+]Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897461867 631531644 /nfs/dbraw/zinc/53/16/44/631531644.db2.gz ZLNVUAJNBIXHLM-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465776 631531888 /nfs/dbraw/zinc/53/18/88/631531888.db2.gz HZHWYIPUHWEIFN-GHMZBOCLSA-N 1 0 250.298 2.077 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000054447609 631538819 /nfs/dbraw/zinc/53/88/19/631538819.db2.gz ZNZGJTGUCHTUNO-AWEZNQCLSA-N 1 0 286.335 2.456 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000804426546 631680687 /nfs/dbraw/zinc/68/06/87/631680687.db2.gz BKZVJSQINUQTQE-SECBINFHSA-N 1 0 294.311 2.398 20 5 CEBDRO Cc1nn(CN(C)C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000840163524 632068144 /nfs/dbraw/zinc/06/81/44/632068144.db2.gz IDTAAGZEYCBAMO-UHFFFAOYSA-N 1 0 252.318 2.178 20 5 CEBDRO Cc1ccc(OCCCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905049267 635788430 /nfs/dbraw/zinc/78/84/30/635788430.db2.gz JMXZKWIUKKKDKZ-UHFFFAOYSA-N 1 0 252.314 2.020 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578271 633033720 /nfs/dbraw/zinc/03/37/20/633033720.db2.gz LFYHBMVDABHJDU-VXGBXAGGSA-N 1 0 292.383 2.169 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582687 633034603 /nfs/dbraw/zinc/03/46/03/633034603.db2.gz MXJLDDUPAXFHMX-DMDPSCGWSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])CCNCC1([NH+]2CCCCC2)CCCCC1 ZINC000899859624 633055367 /nfs/dbraw/zinc/05/53/67/633055367.db2.gz LMOSQFVDHJLKIZ-UHFFFAOYSA-N 1 0 269.389 2.042 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCCCc1ccc(F)cc1 ZINC000905219365 636166170 /nfs/dbraw/zinc/16/61/70/636166170.db2.gz RFBGEVACFUEDSC-UHFFFAOYSA-N 1 0 254.305 2.405 20 5 CEBDRO CSC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819151041 634085675 /nfs/dbraw/zinc/08/56/75/634085675.db2.gz VSIAVEJMQJABFX-SNVBAGLBSA-N 1 0 290.772 2.062 20 5 CEBDRO CCC(O)(CC)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819255708 634118165 /nfs/dbraw/zinc/11/81/65/634118165.db2.gz DQUJYQKCPCQGKN-AWEZNQCLSA-N 1 0 296.367 2.159 20 5 CEBDRO CC[C@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819343945 634146936 /nfs/dbraw/zinc/14/69/36/634146936.db2.gz DIBJXMXPJDKDFR-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056347 634948644 /nfs/dbraw/zinc/94/86/44/634948644.db2.gz SGFAHUXJCBHGGA-MWLCHTKSSA-N 1 0 268.313 2.025 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056006 634948701 /nfs/dbraw/zinc/94/87/01/634948701.db2.gz OVRHCDWHENMROL-ZJUUUORDSA-N 1 0 268.313 2.289 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)O)cc([N+](=O)[O-])c1 ZINC000903094379 634976173 /nfs/dbraw/zinc/97/61/73/634976173.db2.gz YPTDTUKYVMNNIZ-SECBINFHSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1ccc(-c2noc([C@H](C)[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722707 634981136 /nfs/dbraw/zinc/98/11/36/634981136.db2.gz JWEOYMCVQJCADJ-RKDXNWHRSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1ccc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000822723351 634981406 /nfs/dbraw/zinc/98/14/06/634981406.db2.gz USLKSNWPGJKDCB-JTQLQIEISA-N 1 0 288.307 2.105 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCC[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903160224 634993920 /nfs/dbraw/zinc/99/39/20/634993920.db2.gz VIFUXJHBTSWCNP-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](CO)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903199312 635009297 /nfs/dbraw/zinc/00/92/97/635009297.db2.gz JWRHBXLXCDWKCO-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903223603 635023181 /nfs/dbraw/zinc/02/31/81/635023181.db2.gz HQVZCWZKKUYZMB-PKFCDNJMSA-N 1 0 280.324 2.289 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnn(C)n1 ZINC000903245227 635026026 /nfs/dbraw/zinc/02/60/26/635026026.db2.gz KRWQTIPBCQVPKP-GHMZBOCLSA-N 1 0 289.339 2.178 20 5 CEBDRO CN1CC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903322869 635056648 /nfs/dbraw/zinc/05/66/48/635056648.db2.gz OTTSVSGQTJZGLN-LSDHHAIUSA-N 1 0 289.379 2.210 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392980 635089543 /nfs/dbraw/zinc/08/95/43/635089543.db2.gz CMJVVUVBAYVVHH-WCABBAIRSA-N 1 0 268.288 2.419 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903856416 635307708 /nfs/dbraw/zinc/30/77/08/635307708.db2.gz RHYONWHEFITMKG-QMTHXVAHSA-N 1 0 279.315 2.047 20 5 CEBDRO C[C@H](NC[C@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988434 635407095 /nfs/dbraw/zinc/40/70/95/635407095.db2.gz RGQWJRXJHNTTEC-WCBMZHEXSA-N 1 0 273.283 2.228 20 5 CEBDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000904405648 635612038 /nfs/dbraw/zinc/61/20/38/635612038.db2.gz MDAGETGFQNLGJR-SECBINFHSA-N 1 0 299.758 2.125 20 5 CEBDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000905087512 635801339 /nfs/dbraw/zinc/80/13/39/635801339.db2.gz FUGKKEWSYGSRLT-GFCCVEGCSA-N 1 0 297.786 2.341 20 5 CEBDRO CCOc1cc(Cl)ccc1CNCC[N+](=O)[O-] ZINC000905179140 635851524 /nfs/dbraw/zinc/85/15/24/635851524.db2.gz GUYUZYOFSOQZKP-UHFFFAOYSA-N 1 0 258.705 2.105 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905365405 636246978 /nfs/dbraw/zinc/24/69/78/636246978.db2.gz PJPRXPVEZAVTGK-NSHDSACASA-N 1 0 293.150 2.283 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905589022 636343254 /nfs/dbraw/zinc/34/32/54/636343254.db2.gz MYPWBCQVYZDMJC-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H](C[NH2+]C[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905645457 636380504 /nfs/dbraw/zinc/38/05/04/636380504.db2.gz YMKIOFGCTCESDF-IINYFYTJSA-N 1 0 264.325 2.059 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000906498763 636753463 /nfs/dbraw/zinc/75/34/63/636753463.db2.gz DTOJXYVQWBBTPN-NSHDSACASA-N 1 0 279.340 2.430 20 5 CEBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876507530 650294998 /nfs/dbraw/zinc/29/49/98/650294998.db2.gz IXVGDHSZMWUXSW-UHFFFAOYSA-N 1 0 287.319 2.087 20 5 CEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876522005 650301461 /nfs/dbraw/zinc/30/14/61/650301461.db2.gz DQEHYUKFCSLRJC-GFCCVEGCSA-N 1 0 299.330 2.230 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000831338534 637291421 /nfs/dbraw/zinc/29/14/21/637291421.db2.gz KJMFICLPOVNBSH-MGPQQGTHSA-N 1 0 294.351 2.031 20 5 CEBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000876570976 650335985 /nfs/dbraw/zinc/33/59/85/650335985.db2.gz DNDUCSKZFPFRAA-TXEJJXNPSA-N 1 0 289.335 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000834382182 637806099 /nfs/dbraw/zinc/80/60/99/637806099.db2.gz FTTLXGKGXRUIRO-UONOGXRCSA-N 1 0 262.309 2.113 20 5 CEBDRO [NH3+]CCCSCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906923 638474320 /nfs/dbraw/zinc/47/43/20/638474320.db2.gz OPVPOISIJBGFBW-UHFFFAOYSA-N 1 0 283.353 2.005 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3cccs3)C2)c1 ZINC000876891595 650476447 /nfs/dbraw/zinc/47/64/47/650476447.db2.gz BTIHROXDJXORJN-UHFFFAOYSA-N 1 0 292.364 2.389 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000221949476 639340176 /nfs/dbraw/zinc/34/01/76/639340176.db2.gz UBPUYNLLCZDFIJ-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1ccc(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000876928389 650489401 /nfs/dbraw/zinc/48/94/01/650489401.db2.gz CAPKKIZGCFIKNJ-UHFFFAOYSA-N 1 0 290.323 2.229 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044725811 639358998 /nfs/dbraw/zinc/35/89/98/639358998.db2.gz HKWJFLXSKYMBPJ-SECBINFHSA-N 1 0 265.288 2.383 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)CC(C)C)cccc1[N+](=O)[O-] ZINC000226110814 639524252 /nfs/dbraw/zinc/52/42/52/639524252.db2.gz IJOIRWWYUVVURG-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228361539 639632315 /nfs/dbraw/zinc/63/23/15/639632315.db2.gz MDFYPLZTTVSBQJ-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc([N+](=O)[O-])c1 ZINC000228560022 639644106 /nfs/dbraw/zinc/64/41/06/639644106.db2.gz WOJHIWGMBNXIRQ-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[NH2+]CC1 ZINC000841233517 639714323 /nfs/dbraw/zinc/71/43/23/639714323.db2.gz WUGSUTCINYMBGU-UHFFFAOYSA-N 1 0 298.730 2.075 20 5 CEBDRO CC[C@H]([NH3+])c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000229937098 639724827 /nfs/dbraw/zinc/72/48/27/639724827.db2.gz QUZUIJARRQSFEW-JTQLQIEISA-N 1 0 295.730 2.298 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230396607 639757683 /nfs/dbraw/zinc/75/76/83/639757683.db2.gz ZDESJPXAXZKSLC-UHFFFAOYSA-N 1 0 299.758 2.110 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063169184 639837178 /nfs/dbraw/zinc/83/71/78/639837178.db2.gz KGANFJGBVZGVHP-OAHLLOKOSA-N 1 0 277.368 2.211 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063169170 639837592 /nfs/dbraw/zinc/83/75/92/639837592.db2.gz OYKVKWLAGWRNDY-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000089168856 640143168 /nfs/dbraw/zinc/14/31/68/640143168.db2.gz SFFCKWKQRVKMQW-MFKMUULPSA-N 1 0 284.743 2.499 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044402 640250211 /nfs/dbraw/zinc/25/02/11/640250211.db2.gz BBFYIOPEDHGANT-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)o1 ZINC000843237411 640364204 /nfs/dbraw/zinc/36/42/04/640364204.db2.gz ADDQBHDSIOUIJF-MRVPVSSYSA-N 1 0 290.279 2.095 20 5 CEBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCO1 ZINC000877122848 650582502 /nfs/dbraw/zinc/58/25/02/650582502.db2.gz ATJUARWUHWBYRL-OQSWDALSSA-N 1 0 294.355 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844451296 640732580 /nfs/dbraw/zinc/73/25/80/640732580.db2.gz OKKBSWRLMLWNMD-TXEJJXNPSA-N 1 0 268.263 2.334 20 5 CEBDRO C[C@H]1CCCN1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877154717 650600132 /nfs/dbraw/zinc/60/01/32/650600132.db2.gz XMEGQNWCZJBNFX-ZDUSSCGKSA-N 1 0 277.368 2.211 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000845761747 641079354 /nfs/dbraw/zinc/07/93/54/641079354.db2.gz PXFQREBNRRMAPA-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO C[C@@H]1[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000845810856 641099171 /nfs/dbraw/zinc/09/91/71/641099171.db2.gz MZLGUNMEQSLXTC-PWSUYJOCSA-N 1 0 278.308 2.092 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845815484 641100199 /nfs/dbraw/zinc/10/01/99/641100199.db2.gz FCPGKJCOABMLRF-NEPJUHHUSA-N 1 0 292.335 2.400 20 5 CEBDRO CN1CCC[NH+]=C1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849012618 642229250 /nfs/dbraw/zinc/22/92/50/642229250.db2.gz DZYXGFWVMBEMNX-UHFFFAOYSA-N 1 0 282.731 2.029 20 5 CEBDRO COC1CC(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000849327417 642330893 /nfs/dbraw/zinc/33/08/93/642330893.db2.gz LOQQSMQLJRAIJT-WDIPEOLASA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)sn1 ZINC000877523129 650764681 /nfs/dbraw/zinc/76/46/81/650764681.db2.gz WVRKGOGYGRXXOP-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850547795 642749317 /nfs/dbraw/zinc/74/93/17/642749317.db2.gz WOMNAHUFNQFXFS-HERUPUMHSA-N 1 0 291.351 2.131 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)C2)c1 ZINC000877607760 650812402 /nfs/dbraw/zinc/81/24/02/650812402.db2.gz KVLKOZTVQWLQJK-JGGZEWDASA-N 1 0 276.340 2.273 20 5 CEBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877612316 650814014 /nfs/dbraw/zinc/81/40/14/650814014.db2.gz HDMBXBUPVGRXMS-GVOSGWPFSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN1C ZINC000922574684 643133375 /nfs/dbraw/zinc/13/33/75/643133375.db2.gz PSQFRIVIZWTOKZ-LBPRGKRZSA-N 1 0 263.341 2.005 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCN1C ZINC000922576334 643135247 /nfs/dbraw/zinc/13/52/47/643135247.db2.gz PCEVMFZYZODMJC-INDWDQIESA-N 1 0 275.352 2.292 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCN1C ZINC000922576335 643135573 /nfs/dbraw/zinc/13/55/73/643135573.db2.gz PCEVMFZYZODMJC-JQVXPOPVSA-N 1 0 275.352 2.292 20 5 CEBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000922638952 643172140 /nfs/dbraw/zinc/17/21/40/643172140.db2.gz LOTRIVSVDUMDIA-ZDUSSCGKSA-N 1 0 291.351 2.004 20 5 CEBDRO COC(CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000852077715 643291044 /nfs/dbraw/zinc/29/10/44/643291044.db2.gz BTMBXTCWITXAJQ-UHFFFAOYSA-N 1 0 282.340 2.429 20 5 CEBDRO [NH3+]CC12CC(C1)CN2c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853015768 643619510 /nfs/dbraw/zinc/61/95/10/643619510.db2.gz CXBMGDOLGMDXFF-UHFFFAOYSA-N 1 0 283.278 2.460 20 5 CEBDRO CN(CCC[NH2+]C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000923304825 643652365 /nfs/dbraw/zinc/65/23/65/643652365.db2.gz YZBJMZIFOMRWKA-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@]1(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000853305905 643734241 /nfs/dbraw/zinc/73/42/41/643734241.db2.gz GKQLAUDKVDQWEA-LBPRGKRZSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519565 643748694 /nfs/dbraw/zinc/74/86/94/643748694.db2.gz UCKAWIVTEWAFFN-FRRDWIJNSA-N 1 0 275.352 2.197 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877752385 650896311 /nfs/dbraw/zinc/89/63/11/650896311.db2.gz DQVDVVCOEPVOCG-LBPRGKRZSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000754516521 644384666 /nfs/dbraw/zinc/38/46/66/644384666.db2.gz NXFCWFXABMPFJG-SOUVJXGZSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000757817590 644849075 /nfs/dbraw/zinc/84/90/75/644849075.db2.gz HVMBQPBJQUAGDX-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO Cc1n[nH]c(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000761531153 645294623 /nfs/dbraw/zinc/29/46/23/645294623.db2.gz BHJXUKVSGUMLEC-UHFFFAOYSA-N 1 0 295.730 2.007 20 5 CEBDRO COCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764928914 645711744 /nfs/dbraw/zinc/71/17/44/645711744.db2.gz TXTZKPXIUCTGPX-UHFFFAOYSA-N 1 0 292.339 2.179 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849351 645816456 /nfs/dbraw/zinc/81/64/56/645816456.db2.gz PAOZLWFXPYXVLP-JOYOIKCWSA-N 1 0 293.348 2.436 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCCC2)c1 ZINC000770966266 646464889 /nfs/dbraw/zinc/46/48/89/646464889.db2.gz MYDUKSBTMCCKAZ-UHFFFAOYSA-N 1 0 283.303 2.250 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000772986722 646692658 /nfs/dbraw/zinc/69/26/58/646692658.db2.gz CYQHHTFESVMOHG-QMTHXVAHSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000863484598 646740043 /nfs/dbraw/zinc/74/00/43/646740043.db2.gz JWJGPRJJECUFDL-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863541064 646751342 /nfs/dbraw/zinc/75/13/42/646751342.db2.gz GRXZKAJQDJAKQG-IINYFYTJSA-N 1 0 290.367 2.112 20 5 CEBDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776589962 647075532 /nfs/dbraw/zinc/07/55/32/647075532.db2.gz XQINNYNHWCLAOE-UHIISALHSA-N 1 0 264.325 2.216 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591399 647076868 /nfs/dbraw/zinc/07/68/68/647076868.db2.gz OWOIOOKUBUSNEI-CQSZACIVSA-N 1 0 264.325 2.360 20 5 CEBDRO CCCC[N@H+](CCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605476 647078861 /nfs/dbraw/zinc/07/88/61/647078861.db2.gz LFHRWTDWXJVCFG-OAHLLOKOSA-N 1 0 296.367 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccco2)c(F)c1 ZINC000778076457 647198507 /nfs/dbraw/zinc/19/85/07/647198507.db2.gz XTTIUFJJZYNPKX-GFCCVEGCSA-N 1 0 280.255 2.150 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cs1 ZINC000865691438 647425687 /nfs/dbraw/zinc/42/56/87/647425687.db2.gz BBYNPTZKOOKWHK-CXWACVEQSA-N 1 0 280.349 2.169 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000865694520 647427421 /nfs/dbraw/zinc/42/74/21/647427421.db2.gz UFGLVINZQSICGC-RDUHTLEXSA-N 1 0 288.347 2.416 20 5 CEBDRO Cc1nn(CN2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000780497037 647434441 /nfs/dbraw/zinc/43/44/41/647434441.db2.gz LKPFZOMUWIOZSW-LBPRGKRZSA-N 1 0 266.345 2.425 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000866206599 647670932 /nfs/dbraw/zinc/67/09/32/647670932.db2.gz SNXWKPXPDLUHFE-ZYHUDNBSSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000866215035 647675189 /nfs/dbraw/zinc/67/51/89/647675189.db2.gz HIYZFSXGBTVFBU-NSHDSACASA-N 1 0 292.314 2.151 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)C1CC1 ZINC000866299360 647721926 /nfs/dbraw/zinc/72/19/26/647721926.db2.gz JECYGHYGJLIBFR-IINYFYTJSA-N 1 0 296.342 2.416 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000866367967 647759563 /nfs/dbraw/zinc/75/95/63/647759563.db2.gz RZDJRVUYLSDKFW-CWSCBRNRSA-N 1 0 284.331 2.414 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866726668 647884881 /nfs/dbraw/zinc/88/48/81/647884881.db2.gz YUBDGLIFGDFSJR-OCCSQVGLSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CO ZINC000785984656 647975375 /nfs/dbraw/zinc/97/53/75/647975375.db2.gz RBCNPTPVHFNWGL-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CO ZINC000785984659 647975853 /nfs/dbraw/zinc/97/58/53/647975853.db2.gz RBCNPTPVHFNWGL-ZANVPECISA-N 1 0 284.743 2.451 20 5 CEBDRO CCC(CC)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943372 647996000 /nfs/dbraw/zinc/99/60/00/647996000.db2.gz SUBZLNZNIXKEDS-CQSZACIVSA-N 1 0 279.340 2.074 20 5 CEBDRO CCC(CC)CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956115 648001239 /nfs/dbraw/zinc/00/12/39/648001239.db2.gz NOQCOCYGLBFSNZ-HNNXBMFYSA-N 1 0 293.367 2.321 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NCCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867974115 648006992 /nfs/dbraw/zinc/00/69/92/648006992.db2.gz PKTVQJBSSQRBFU-HNNXBMFYSA-N 1 0 291.351 2.075 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2C1 ZINC000787304207 648097340 /nfs/dbraw/zinc/09/73/40/648097340.db2.gz JSKQOVKEXRVYRI-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788690313 648215438 /nfs/dbraw/zinc/21/54/38/648215438.db2.gz WYRXPOKMFWYHHY-GHMZBOCLSA-N 1 0 281.356 2.236 20 5 CEBDRO O=[N+]([O-])CC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000791051658 648476443 /nfs/dbraw/zinc/47/64/43/648476443.db2.gz HSXRNQBJVNECMI-UHFFFAOYSA-N 1 0 252.289 2.109 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085512 649269034 /nfs/dbraw/zinc/26/90/34/649269034.db2.gz ZIZGTKMQDXSKTJ-BDAKNGLRSA-N 1 0 274.267 2.105 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089986 649270470 /nfs/dbraw/zinc/27/04/70/649270470.db2.gz JCMYZFOEJAPLFB-BBBLOLIVSA-N 1 0 268.288 2.155 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNC(=O)C(C)C ZINC000873007872 649529603 /nfs/dbraw/zinc/52/96/03/649529603.db2.gz IPNRULNMWCPZAT-UHFFFAOYSA-N 1 0 293.367 2.073 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)C1CC1 ZINC000873051718 649544108 /nfs/dbraw/zinc/54/41/08/649544108.db2.gz NHEMMRPNQCUEMW-HNNXBMFYSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cnccn1 ZINC000873101506 649559332 /nfs/dbraw/zinc/55/93/32/649559332.db2.gz WQLIROBNOFSVND-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873100754 649559341 /nfs/dbraw/zinc/55/93/41/649559341.db2.gz DBZWYGSOKIYOKB-LLVKDONJSA-N 1 0 252.314 2.072 20 5 CEBDRO Cc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253469 649611244 /nfs/dbraw/zinc/61/12/44/649611244.db2.gz YFPNFQDVQFRQLL-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127417 649728088 /nfs/dbraw/zinc/72/80/88/649728088.db2.gz SLYQXGPYBYCDRZ-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO CC(C)[C@H](O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878598916 651137853 /nfs/dbraw/zinc/13/78/53/651137853.db2.gz QDIIWNPHSSXDQQ-OAHLLOKOSA-N 1 0 280.368 2.476 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000880134548 651388629 /nfs/dbraw/zinc/38/86/29/651388629.db2.gz TXEYSWGHABXBIA-HUUCEWRRSA-N 1 0 293.342 2.402 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880136586 651389622 /nfs/dbraw/zinc/38/96/22/651389622.db2.gz OQXVMDMHPXOCAC-GJZGRUSLSA-N 1 0 293.342 2.402 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880292993 651416633 /nfs/dbraw/zinc/41/66/33/651416633.db2.gz CBBHVGPHOBKINF-LLVKDONJSA-N 1 0 298.314 2.274 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881963662 651926807 /nfs/dbraw/zinc/92/68/07/651926807.db2.gz CYJIIXYZSMLJAB-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882027558 651942049 /nfs/dbraw/zinc/94/20/49/651942049.db2.gz WWGREJVZDDUUIZ-NSHDSACASA-N 1 0 296.346 2.440 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1C=CCC1)OCCO2 ZINC000883238753 652410746 /nfs/dbraw/zinc/41/07/46/652410746.db2.gz LPEXOLMBXQIZRJ-NSHDSACASA-N 1 0 290.319 2.422 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]CCC12CCC2 ZINC000883458870 652476820 /nfs/dbraw/zinc/47/68/20/652476820.db2.gz ZMQQHCHIDWYCKJ-UHFFFAOYSA-N 1 0 293.342 2.452 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CC2)cc1 ZINC000134757700 652872707 /nfs/dbraw/zinc/87/27/07/652872707.db2.gz LAXKRWKNAFYWNB-CYBMUJFWSA-N 1 0 250.298 2.018 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164629720 719153010 /nfs/dbraw/zinc/15/30/10/719153010.db2.gz CNQMOMVTCRJYPV-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1Cl ZINC001164641408 719181524 /nfs/dbraw/zinc/18/15/24/719181524.db2.gz WBUSJUVLZPSPKX-NXEZZACHSA-N 1 0 298.774 2.480 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001165034825 721885942 /nfs/dbraw/zinc/88/59/42/721885942.db2.gz JMVYGFBHDHZHDX-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO CC[NH+](CC)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165053022 722001392 /nfs/dbraw/zinc/00/13/92/722001392.db2.gz HWTZDENEULKXEG-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)cc1F ZINC000713928704 805983562 /nfs/dbraw/zinc/98/35/62/805983562.db2.gz XSTMHSLSWAQXHE-SECBINFHSA-N 1 0 256.277 2.371 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988773 806258090 /nfs/dbraw/zinc/25/80/90/806258090.db2.gz INHCSASRIUVEEU-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC1(Nc2cnc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168184108 806381435 /nfs/dbraw/zinc/38/14/35/806381435.db2.gz SRPOKRJHZFAYOR-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCOC[C@H]1OC ZINC001168194450 806397684 /nfs/dbraw/zinc/39/76/84/806397684.db2.gz FMLYVTZVCXJVLT-IAGOWNOFSA-N 1 0 293.431 2.499 20 5 CEBDRO C[N@@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329986 806698066 /nfs/dbraw/zinc/69/80/66/806698066.db2.gz ANYSJNCLUGRJTM-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(C)Oc1ncccc1COCCC[N+](C)(C)C ZINC001224620677 806868215 /nfs/dbraw/zinc/86/82/15/806868215.db2.gz AIWISOKMDHDBMZ-UHFFFAOYSA-N 1 0 267.393 2.482 20 5 CEBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000707493798 802970277 /nfs/dbraw/zinc/97/02/77/802970277.db2.gz ZWKZIGABRXBKLW-MWLCHTKSSA-N 1 0 272.308 2.305 20 5 CEBDRO CO[C@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000724122323 803047561 /nfs/dbraw/zinc/04/75/61/803047561.db2.gz RYVSIJFUDIKYTF-OLZOCXBDSA-N 1 0 268.288 2.343 20 5 CEBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1nc2ccccc2c2ccccc21 ZINC001170790008 813361494 /nfs/dbraw/zinc/36/14/94/813361494.db2.gz TWXKNHGKFOTWHU-SJCJKPOMSA-N 1 0 293.370 2.380 20 5 CEBDRO C[NH2+][C@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001117954788 814969654 /nfs/dbraw/zinc/96/96/54/814969654.db2.gz FXHACWANZPXTLH-LLVKDONJSA-N 1 0 294.355 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](CO)C1 ZINC000093297612 804072706 /nfs/dbraw/zinc/07/27/06/804072706.db2.gz AZAJLUCKIDYRHK-JTQLQIEISA-N 1 0 284.743 2.453 20 5 CEBDRO CC[NH+](CC)CCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001224926455 807031727 /nfs/dbraw/zinc/03/17/27/807031727.db2.gz XQGGHUPXBHNGOO-OAHLLOKOSA-N 1 0 278.352 2.420 20 5 CEBDRO Cc1n[nH]c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000716449318 815124857 /nfs/dbraw/zinc/12/48/57/815124857.db2.gz ZXAVMUORGAKEOZ-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699839188 807869867 /nfs/dbraw/zinc/86/98/67/807869867.db2.gz SMZXIHSCQVPBJJ-JQWIXIFHSA-N 1 0 250.298 2.028 20 5 CEBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000690277376 808033290 /nfs/dbraw/zinc/03/32/90/808033290.db2.gz UQWHAANOTXVKRU-ZDUSSCGKSA-N 1 0 284.743 2.451 20 5 CEBDRO CC/C=C(\C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124345430 808176757 /nfs/dbraw/zinc/17/67/57/808176757.db2.gz WFZLKGCVNPFOHS-WUXMJOGZSA-N 1 0 291.351 2.157 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC001119982585 815182352 /nfs/dbraw/zinc/18/23/52/815182352.db2.gz LRNDHFWGUAFGJT-RWMBFGLXSA-N 1 0 290.367 2.156 20 5 CEBDRO CC1(C)CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001120595480 815243592 /nfs/dbraw/zinc/24/35/92/815243592.db2.gz FWZJCIFSUXAFKN-CYBMUJFWSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H]1CCCC[NH2+]C1 ZINC000700403254 809308774 /nfs/dbraw/zinc/30/87/74/809308774.db2.gz GVWRQDGMDCDMPZ-NSHDSACASA-N 1 0 250.298 2.363 20 5 CEBDRO C[C@@H](CCNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000700488907 809315998 /nfs/dbraw/zinc/31/59/98/809315998.db2.gz LHNUCJYKDIVCLE-NSHDSACASA-N 1 0 251.330 2.025 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631335 809335364 /nfs/dbraw/zinc/33/53/64/809335364.db2.gz CAUGBAHDWXYEPO-SNVBAGLBSA-N 1 0 299.758 2.496 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001120883790 815290234 /nfs/dbraw/zinc/29/02/34/815290234.db2.gz LULZSVIJAHEDQA-NEPJUHHUSA-N 1 0 292.339 2.037 20 5 CEBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1OC)[NH+]1CCCC1 ZINC001120881523 815290771 /nfs/dbraw/zinc/29/07/71/815290771.db2.gz FEVCVJONWJDSAG-LLVKDONJSA-N 1 0 294.355 2.285 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038859 809489523 /nfs/dbraw/zinc/48/95/23/809489523.db2.gz LAOIJGFHZRORKL-SNVBAGLBSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000702066244 809491603 /nfs/dbraw/zinc/49/16/03/809491603.db2.gz QRIGXZBLYRBBTP-LDYMZIIASA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063577 809492031 /nfs/dbraw/zinc/49/20/31/809492031.db2.gz BLHHXXQIGRMLJJ-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO Cc1cccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1[N+](=O)[O-] ZINC001162478282 809623609 /nfs/dbraw/zinc/62/36/09/809623609.db2.gz WUVQBYUPQDFVAN-UWVGGRQHSA-N 1 0 253.277 2.015 20 5 CEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nccc1C[NH3+] ZINC001162597144 809682724 /nfs/dbraw/zinc/68/27/24/809682724.db2.gz DUMWUJUJELVSMY-UHFFFAOYSA-N 1 0 296.714 2.210 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000704630354 809743096 /nfs/dbraw/zinc/74/30/96/809743096.db2.gz TZFTWMNSKAFEIT-VHSXEESVSA-N 1 0 253.277 2.286 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706545510 809834909 /nfs/dbraw/zinc/83/49/09/809834909.db2.gz YIDUHHURFVTWKW-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000711081644 810013051 /nfs/dbraw/zinc/01/30/51/810013051.db2.gz CPBPNHNMDADGAS-WCQYABFASA-N 1 0 250.298 2.109 20 5 CEBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001164281533 810337998 /nfs/dbraw/zinc/33/79/98/810337998.db2.gz GMWUUSZEOOEEOZ-QMMMGPOBSA-N 1 0 275.230 2.151 20 5 CEBDRO Cc1cnc(N2CCC3(CC([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001165244479 810402573 /nfs/dbraw/zinc/40/25/73/810402573.db2.gz WPDBUTBDFCKYJW-UHFFFAOYSA-N 1 0 276.340 2.006 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167321 815389695 /nfs/dbraw/zinc/38/96/95/815389695.db2.gz TUVIIONSDBELDL-NRUUGDAUSA-N 1 0 279.340 2.145 20 5 CEBDRO [NH3+][C@H]1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001156226236 811257711 /nfs/dbraw/zinc/25/77/11/811257711.db2.gz JIFGZWCGHJVACS-QMMMGPOBSA-N 1 0 292.726 2.334 20 5 CEBDRO [NH3+]Cc1cccc2cnn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168976321 811304842 /nfs/dbraw/zinc/30/48/42/811304842.db2.gz CTBOOJSCVRVSGR-GXFFZTMASA-N 1 0 274.324 2.113 20 5 CEBDRO [NH3+]Cc1ccc2ncn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168977673 811307333 /nfs/dbraw/zinc/30/73/33/811307333.db2.gz LERJLAUXJJSLKA-NWDGAFQWSA-N 1 0 274.324 2.113 20 5 CEBDRO [NH3+]CCc1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168979201 811308207 /nfs/dbraw/zinc/30/82/07/811308207.db2.gz XDVDYXGFYLVCTB-NEPJUHHUSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC001168959423 811314141 /nfs/dbraw/zinc/31/41/41/811314141.db2.gz VVVDUIIPRVJYQT-KWCYVHTRSA-N 1 0 276.336 2.025 20 5 CEBDRO Cc1cccc2c1[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966482 811318250 /nfs/dbraw/zinc/31/82/50/811318250.db2.gz IMKBUXWQPNYMAN-SUNKGSAMSA-N 1 0 289.335 2.023 20 5 CEBDRO [NH3+]Cc1cnc2c(ccn2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966801 811319237 /nfs/dbraw/zinc/31/92/37/811319237.db2.gz LGFNVDSHTVMPBT-GXFFZTMASA-N 1 0 274.324 2.113 20 5 CEBDRO COc1cccc(OCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168968526 811319910 /nfs/dbraw/zinc/31/99/10/811319910.db2.gz ZVLGULOJZTYLAU-STQMWFEESA-N 1 0 294.351 2.109 20 5 CEBDRO Cc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974512 811323400 /nfs/dbraw/zinc/32/34/00/811323400.db2.gz RBNYSFJHQNBLID-UKRRQHHQSA-N 1 0 290.363 2.256 20 5 CEBDRO [NH3+]CCc1cccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168997115 811325515 /nfs/dbraw/zinc/32/55/15/811325515.db2.gz XUMONQVLGZKUEM-GXTWGEPZSA-N 1 0 263.341 2.045 20 5 CEBDRO [NH3+]CCN(c1ccc(F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999766 811328282 /nfs/dbraw/zinc/32/82/82/811328282.db2.gz VLUXTGCGELUBFG-FZMZJTMJSA-N 1 0 281.331 2.036 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006673 811331821 /nfs/dbraw/zinc/33/18/21/811331821.db2.gz IXZJNEKQYGPAAM-DOMZBBRYSA-N 1 0 290.363 2.499 20 5 CEBDRO COc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169006625 811332998 /nfs/dbraw/zinc/33/29/98/811332998.db2.gz IRINQJILLSGLIA-WFASDCNBSA-N 1 0 290.363 2.499 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC001169009058 811333344 /nfs/dbraw/zinc/33/33/44/811333344.db2.gz UQDUNWBQZCHZNF-SWLSCSKDSA-N 1 0 260.337 2.490 20 5 CEBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)no1 ZINC001169013628 811334772 /nfs/dbraw/zinc/33/47/72/811334772.db2.gz VUSJYKOMBHXDIN-JHJVBQTASA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C1 ZINC001169011368 811335116 /nfs/dbraw/zinc/33/51/16/811335116.db2.gz KAOSOZWIVSKGHY-YFKTTZPYSA-N 1 0 274.311 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2F)C1 ZINC001168988124 811337160 /nfs/dbraw/zinc/33/71/60/811337160.db2.gz OBCFQVWZWZABNB-MWLCHTKSSA-N 1 0 268.288 2.066 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001168988099 811337212 /nfs/dbraw/zinc/33/72/12/811337212.db2.gz NUKUOIGVOLOTRP-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO [NH3+]Cc1cccc2ncn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c21 ZINC001168988235 811337307 /nfs/dbraw/zinc/33/73/07/811337307.db2.gz PJYPHJPYMKVKOA-ZYHUDNBSSA-N 1 0 274.324 2.113 20 5 CEBDRO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988592 811337595 /nfs/dbraw/zinc/33/75/95/811337595.db2.gz SSAXWKIECYETOQ-RYUDHWBXSA-N 1 0 286.372 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC001168988863 811337952 /nfs/dbraw/zinc/33/79/52/811337952.db2.gz UGNYAYSNCINADQ-OLZOCXBDSA-N 1 0 270.373 2.371 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3occc3C2)C1 ZINC001169039955 811348817 /nfs/dbraw/zinc/34/88/17/811348817.db2.gz WHICRCIKVSXCRL-JQWIXIFHSA-N 1 0 250.298 2.083 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(C(F)F)CC2)C1 ZINC001169038260 811349009 /nfs/dbraw/zinc/34/90/09/811349009.db2.gz XMAZBONIJFHESH-ONGXEEELSA-N 1 0 262.300 2.409 20 5 CEBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037544 811349125 /nfs/dbraw/zinc/34/91/25/811349125.db2.gz SGOYWLAJODZRNY-AGIUHOORSA-N 1 0 270.373 2.321 20 5 CEBDRO CCCCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023819 811355537 /nfs/dbraw/zinc/35/55/37/811355537.db2.gz FLCFQHBCFAQITM-HUUCEWRRSA-N 1 0 283.416 2.240 20 5 CEBDRO COc1cccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169046828 811356215 /nfs/dbraw/zinc/35/62/15/811356215.db2.gz NNCLPQJZNUZORO-TZMCWYRMSA-N 1 0 290.363 2.499 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169049266 811357135 /nfs/dbraw/zinc/35/71/35/811357135.db2.gz WJKASHXWHHMTRN-GXTWGEPZSA-N 1 0 263.341 2.267 20 5 CEBDRO CC1(C)C[C@H](Nc2nccnc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169135991 811398725 /nfs/dbraw/zinc/39/87/25/811398725.db2.gz DTHOPBMGDPUROQ-HZMBPMFUSA-N 1 0 293.371 2.340 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157266733 812063840 /nfs/dbraw/zinc/06/38/40/812063840.db2.gz WJPSCQFUQACBRC-ONGXEEELSA-N 1 0 296.758 2.174 20 5 CEBDRO CC1(Nc2cc(Cl)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157397202 812134646 /nfs/dbraw/zinc/13/46/46/812134646.db2.gz PJOSDMMNTXRPOS-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO CCC[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3C)C[C@@H]2C1 ZINC001157688147 812318215 /nfs/dbraw/zinc/31/82/15/812318215.db2.gz GQQPDIVCSCQRBZ-STQMWFEESA-N 1 0 290.367 2.076 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cocn2)c([N+](=O)[O-])c1 ZINC001170309950 812391218 /nfs/dbraw/zinc/39/12/18/812391218.db2.gz UJNNPRMMMBLZRC-JTQLQIEISA-N 1 0 291.307 2.312 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170309366 812391279 /nfs/dbraw/zinc/39/12/79/812391279.db2.gz QGTZRIZQUCGNRB-NEPJUHHUSA-N 1 0 294.351 2.161 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170347970 812399878 /nfs/dbraw/zinc/39/98/78/812399878.db2.gz UBMKMNDVIIKOMG-YPMHNXCESA-N 1 0 294.351 2.255 20 5 CEBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c2ccccc12 ZINC001170505526 812587563 /nfs/dbraw/zinc/58/75/63/812587563.db2.gz VDWJZGNJAKEPRW-UHFFFAOYSA-N 1 0 288.351 2.050 20 5 CEBDRO COCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897260 815539496 /nfs/dbraw/zinc/53/94/96/815539496.db2.gz YLVRYOALRQBIEW-AWEZNQCLSA-N 1 0 278.352 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccnnc1)CC2 ZINC001172900726 815539517 /nfs/dbraw/zinc/53/95/17/815539517.db2.gz YTGLRRVMVNIWID-HNNXBMFYSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CO)CCC1)CC2 ZINC001172899665 815539621 /nfs/dbraw/zinc/53/96/21/815539621.db2.gz DLMSMPQPJSXNPR-CQSZACIVSA-N 1 0 290.363 2.347 20 5 CEBDRO C[C@H](CO)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902268 815540681 /nfs/dbraw/zinc/54/06/81/815540681.db2.gz WSLZCUUCGRBDPF-FZMZJTMJSA-N 1 0 278.352 2.060 20 5 CEBDRO CN(C)CC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908772 815540920 /nfs/dbraw/zinc/54/09/20/815540920.db2.gz NZWLZGCVTPNCQL-HNNXBMFYSA-N 1 0 291.395 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC001172907304 815540941 /nfs/dbraw/zinc/54/09/41/815540941.db2.gz RTOLCUABRCZSSG-ARLBYUKCSA-N 1 0 288.347 2.077 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(F)COC1)CC2 ZINC001172902530 815541180 /nfs/dbraw/zinc/54/11/80/815541180.db2.gz ZIRMROFVQBEGTN-CYBMUJFWSA-N 1 0 294.326 2.170 20 5 CEBDRO CCC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133167465 813004830 /nfs/dbraw/zinc/00/48/30/813004830.db2.gz MSOPBTONIUEIRR-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+](C)C)c1F ZINC001173186006 815617317 /nfs/dbraw/zinc/61/73/17/815617317.db2.gz QUGUZLJCAXGJOR-QMMMGPOBSA-N 1 0 256.277 2.235 20 5 CEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@H]1CCCC[NH2+]1 ZINC001171334849 814588632 /nfs/dbraw/zinc/58/86/32/814588632.db2.gz KKKRBROYUAUKOI-SECBINFHSA-N 1 0 275.312 2.025 20 5 CEBDRO COc1cc(OC[C@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000697017831 814644373 /nfs/dbraw/zinc/64/43/73/814644373.db2.gz UUEUPUPCYRAKFD-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712597350 814755682 /nfs/dbraw/zinc/75/56/82/814755682.db2.gz XHCSMEDFPDKERB-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000714446902 814906168 /nfs/dbraw/zinc/90/61/68/814906168.db2.gz DTWSNKNTWMREIO-BETUJISGSA-N 1 0 264.325 2.418 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC2)c1F ZINC001173176896 815616509 /nfs/dbraw/zinc/61/65/09/815616509.db2.gz NKZFMJDYEMYGJB-UWVGGRQHSA-N 1 0 298.314 2.052 20 5 CEBDRO CCC[C@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216427 815623121 /nfs/dbraw/zinc/62/31/21/815623121.db2.gz JJVZKTLPFJUYKB-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)cn1 ZINC001173217494 815624755 /nfs/dbraw/zinc/62/47/55/815624755.db2.gz VPYMNFGWMUFCBB-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)cn1 ZINC001173217493 815624949 /nfs/dbraw/zinc/62/49/49/815624949.db2.gz VPYMNFGWMUFCBB-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001173219185 815624957 /nfs/dbraw/zinc/62/49/57/815624957.db2.gz YMDSHFOALPKZMC-KYOSRNDESA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001173233722 815632357 /nfs/dbraw/zinc/63/23/57/815632357.db2.gz MOUYFFHLZRDEBY-FPMFFAJLSA-N 1 0 288.347 2.437 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccco1 ZINC001173212075 815635222 /nfs/dbraw/zinc/63/52/22/815635222.db2.gz WMSIKZMILZRUQZ-SMDDNHRTSA-N 1 0 290.319 2.442 20 5 CEBDRO CC(C)[C@@](C)([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173212621 815635550 /nfs/dbraw/zinc/63/55/50/815635550.db2.gz BQNQNJSOUOASEN-IAQYHMDHSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(F)cn1 ZINC001173210815 815635665 /nfs/dbraw/zinc/63/56/65/815635665.db2.gz OBVKVRGGPJFORO-SNVBAGLBSA-N 1 0 290.298 2.245 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000401494224 815905418 /nfs/dbraw/zinc/90/54/18/815905418.db2.gz TXAKZUICVSNFMC-LLVKDONJSA-N 1 0 268.288 2.345 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000124406202 187136102 /nfs/dbraw/zinc/13/61/02/187136102.db2.gz IJOXFKSUCLPLGF-UHFFFAOYSA-N 1 0 274.324 2.313 20 5 CEBDRO Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127749546 187331249 /nfs/dbraw/zinc/33/12/49/187331249.db2.gz PUKJWXLSWIPVMS-CYBMUJFWSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000032806242 361757075 /nfs/dbraw/zinc/75/70/75/361757075.db2.gz ZBTAINUNUDBSJV-SECBINFHSA-N 1 0 295.368 2.200 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159734 282125245 /nfs/dbraw/zinc/12/52/45/282125245.db2.gz ILLKAASTALMNQB-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324118 346820233 /nfs/dbraw/zinc/82/02/33/346820233.db2.gz JIXUILUPCLBFHF-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996317 361879802 /nfs/dbraw/zinc/87/98/02/361879802.db2.gz STYRGFOZNTZSDC-HUUCEWRRSA-N 1 0 275.352 2.311 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737838 361925392 /nfs/dbraw/zinc/92/53/92/361925392.db2.gz HLSLJXQTVLHJRU-MNOVXSKESA-N 1 0 250.298 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738570 361925485 /nfs/dbraw/zinc/92/54/85/361925485.db2.gz OXGJOLDYCGLBKW-VIFPVBQESA-N 1 0 270.716 2.374 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449290090 282173923 /nfs/dbraw/zinc/17/39/23/282173923.db2.gz DJYFPJANSJDNBV-RYUDHWBXSA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415481918 529451273 /nfs/dbraw/zinc/45/12/73/529451273.db2.gz JOHKDJQROSOCPX-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1nnsc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449333118 282190968 /nfs/dbraw/zinc/19/09/68/282190968.db2.gz ACBDJNVBCISRNG-VIFPVBQESA-N 1 0 292.364 2.476 20 5 CEBDRO CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000042588957 362105111 /nfs/dbraw/zinc/10/51/11/362105111.db2.gz OYNAHPFZQSZCBU-CQSZACIVSA-N 1 0 293.367 2.301 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037404424 343427534 /nfs/dbraw/zinc/42/75/34/343427534.db2.gz LHZRHQVKXYTZOU-NSHDSACASA-N 1 0 261.325 2.491 20 5 CEBDRO CC[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000044411752 343471281 /nfs/dbraw/zinc/47/12/81/343471281.db2.gz BRDBYHJUKIIUFK-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046885653 343506557 /nfs/dbraw/zinc/50/65/57/343506557.db2.gz NWUSZCQXUFJMAQ-UHFFFAOYSA-N 1 0 288.307 2.237 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444224 343499395 /nfs/dbraw/zinc/49/93/95/343499395.db2.gz DOEOBKSLMPGUFT-CYBMUJFWSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052101818 343555953 /nfs/dbraw/zinc/55/59/53/343555953.db2.gz IDXPJBNBGZWVJE-QWRGUYRKSA-N 1 0 295.387 2.312 20 5 CEBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295057528 199322721 /nfs/dbraw/zinc/32/27/21/199322721.db2.gz OAQGEXWSLZMGTA-JTQLQIEISA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000068342432 343762282 /nfs/dbraw/zinc/76/22/82/343762282.db2.gz IBJYEAITOQYMFZ-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000069249334 343784057 /nfs/dbraw/zinc/78/40/57/343784057.db2.gz YNXJLHNLETYFLO-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676338 343862015 /nfs/dbraw/zinc/86/20/15/343862015.db2.gz YSSJITPLRRGQCJ-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO CCC1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858694 343869386 /nfs/dbraw/zinc/86/93/86/343869386.db2.gz VZKBCGIAQSEIED-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1sc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449646046 282317694 /nfs/dbraw/zinc/31/76/94/282317694.db2.gz MZPYCPLDMIUAGF-UWVGGRQHSA-N 1 0 297.380 2.212 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078667867 343960978 /nfs/dbraw/zinc/96/09/78/343960978.db2.gz MHKUKKRLHINCJR-OLZOCXBDSA-N 1 0 292.383 2.465 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[NH+](C)C ZINC000078694085 343961882 /nfs/dbraw/zinc/96/18/82/343961882.db2.gz DZBVQWDZPNVYMP-LBPRGKRZSA-N 1 0 293.367 2.282 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083443668 344077545 /nfs/dbraw/zinc/07/75/45/344077545.db2.gz DHPUSVAIWAHGBW-UHFFFAOYSA-N 1 0 287.323 2.093 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049801448 362376785 /nfs/dbraw/zinc/37/67/85/362376785.db2.gz CPEKMGBWQSBIKJ-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000049800413 362376937 /nfs/dbraw/zinc/37/69/37/362376937.db2.gz UXIXGXVKGGVNSZ-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC[C@H]1CO ZINC000449707371 282336441 /nfs/dbraw/zinc/33/64/41/282336441.db2.gz QQBYCTDZVILZMB-KUTPXYQMSA-N 1 0 276.336 2.359 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000128451496 344336821 /nfs/dbraw/zinc/33/68/21/344336821.db2.gz GIMIIEFIDHRQQX-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258346 344305839 /nfs/dbraw/zinc/30/58/39/344305839.db2.gz XPAPEKSISHHOGV-QWRGUYRKSA-N 1 0 269.370 2.216 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122406978 344306328 /nfs/dbraw/zinc/30/63/28/344306328.db2.gz FDMZEHQYUSXDSM-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122471263 344306337 /nfs/dbraw/zinc/30/63/37/344306337.db2.gz MMKGRAZWKCHCMK-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO COCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963309 362387800 /nfs/dbraw/zinc/38/78/00/362387800.db2.gz FGKYFGCJUBNDQY-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000156961796 344444264 /nfs/dbraw/zinc/44/42/64/344444264.db2.gz XYOWNOMKNJWOOU-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161023315 344463139 /nfs/dbraw/zinc/46/31/39/344463139.db2.gz BYMYRSYIQUROOA-QWHCGFSZSA-N 1 0 291.351 2.157 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481181 347052994 /nfs/dbraw/zinc/05/29/94/347052994.db2.gz AKZDHVHOGJEQPC-SNVBAGLBSA-N 1 0 254.334 2.196 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230707769 344573235 /nfs/dbraw/zinc/57/32/35/344573235.db2.gz QMHRVOGCHLKZMB-CQSZACIVSA-N 1 0 266.341 2.278 20 5 CEBDRO CCN(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218468750 344536495 /nfs/dbraw/zinc/53/64/95/344536495.db2.gz WAUCLXKHRMVIPY-UHFFFAOYSA-N 1 0 277.368 2.211 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865165 344557013 /nfs/dbraw/zinc/55/70/13/344557013.db2.gz QKSDEZKFBQLHJK-NSHDSACASA-N 1 0 287.323 2.044 20 5 CEBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000228552459 344561067 /nfs/dbraw/zinc/56/10/67/344561067.db2.gz NJTRPTMUUYFPLE-IACUBPJLSA-N 1 0 275.352 2.467 20 5 CEBDRO Cc1cccc(OCC[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000235909117 344593735 /nfs/dbraw/zinc/59/37/35/344593735.db2.gz YHWHFMRCPCESQG-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000051896796 362447626 /nfs/dbraw/zinc/44/76/26/362447626.db2.gz GJAKWKYVWOWCCQ-CQSZACIVSA-N 1 0 278.352 2.232 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297729 362490595 /nfs/dbraw/zinc/49/05/95/362490595.db2.gz OCGRUXHQLXNMBO-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000602517018 347064486 /nfs/dbraw/zinc/06/44/86/347064486.db2.gz VIRJZDVKUVFPBU-GFCCVEGCSA-N 1 0 250.298 2.254 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000302544261 344703997 /nfs/dbraw/zinc/70/39/97/344703997.db2.gz ISJSDYBGFJFWML-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328516172 344755191 /nfs/dbraw/zinc/75/51/91/344755191.db2.gz PQBPWNZAMDOESG-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401145843 344866258 /nfs/dbraw/zinc/86/62/58/344866258.db2.gz BPFCOVOTCISPIW-SNVBAGLBSA-N 1 0 268.292 2.025 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401211540 344867052 /nfs/dbraw/zinc/86/70/52/344867052.db2.gz NNBXWWJLRHRQTL-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789794 282368943 /nfs/dbraw/zinc/36/89/43/282368943.db2.gz IGZYOXHUENPNKT-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000127310796 187295642 /nfs/dbraw/zinc/29/56/42/187295642.db2.gz XFCJCYUKPLIQLP-AWEZNQCLSA-N 1 0 291.351 2.232 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602576445 347085412 /nfs/dbraw/zinc/08/54/12/347085412.db2.gz CBSWPLOTNOWFBD-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2CC2)c1 ZINC000589497288 345084321 /nfs/dbraw/zinc/08/43/21/345084321.db2.gz LQBITWCCEOOAPG-UHFFFAOYSA-N 1 0 278.308 2.223 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590010789 345110123 /nfs/dbraw/zinc/11/01/23/345110123.db2.gz UJDYCTLZSJGCRE-LKFCYVNXSA-N 1 0 297.305 2.009 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591143126 345224464 /nfs/dbraw/zinc/22/44/64/345224464.db2.gz MSTJAKQJBFMWRK-JTQLQIEISA-N 1 0 282.319 2.096 20 5 CEBDRO Cc1c(NC(=O)N2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000591272471 345236694 /nfs/dbraw/zinc/23/66/94/345236694.db2.gz QTIFTPBQFDLMAR-UHFFFAOYSA-N 1 0 292.339 2.248 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281900 345237610 /nfs/dbraw/zinc/23/76/10/345237610.db2.gz UDXZZHDLQRDLED-UBHSHLNASA-N 1 0 295.358 2.206 20 5 CEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591428491 345251107 /nfs/dbraw/zinc/25/11/07/345251107.db2.gz OVLCSOYYWCHMDT-PWSUYJOCSA-N 1 0 286.335 2.317 20 5 CEBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591428405 345251282 /nfs/dbraw/zinc/25/12/82/345251282.db2.gz BJPPVIPLWBLMHP-GWCFXTLKSA-N 1 0 286.335 2.317 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591448684 345257188 /nfs/dbraw/zinc/25/71/88/345257188.db2.gz NNTOHHHSWJICFM-TZMCWYRMSA-N 1 0 275.352 2.087 20 5 CEBDRO CCOc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591436870 345253598 /nfs/dbraw/zinc/25/35/98/345253598.db2.gz BZISXBKHBMIPJI-YPMHNXCESA-N 1 0 291.351 2.182 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000591438182 345254261 /nfs/dbraw/zinc/25/42/61/345254261.db2.gz MPKYNICSMDFLRG-CMPLNLGQSA-N 1 0 279.315 2.231 20 5 CEBDRO CCOc1cccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591439879 345255163 /nfs/dbraw/zinc/25/51/63/345255163.db2.gz ZMQAOQGPPIQVAT-NEPJUHHUSA-N 1 0 291.351 2.182 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591767161 345278984 /nfs/dbraw/zinc/27/89/84/345278984.db2.gz OZELFNHTZREBOD-MNOVXSKESA-N 1 0 295.314 2.404 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592432813 345352919 /nfs/dbraw/zinc/35/29/19/345352919.db2.gz VCMVQLUQHVUCGH-DOMZBBRYSA-N 1 0 275.352 2.087 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH3+])CC1 ZINC000592484891 345359584 /nfs/dbraw/zinc/35/95/84/345359584.db2.gz GYZFBTOKPRWVDW-LLVKDONJSA-N 1 0 263.341 2.469 20 5 CEBDRO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489426 345359778 /nfs/dbraw/zinc/35/97/78/345359778.db2.gz VKNYNMWFGGMIMK-MFKMUULPSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1cc(N[C@@H](CO)CCF)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593508539 345500477 /nfs/dbraw/zinc/50/04/77/345500477.db2.gz HOOBNVXGBVKUBG-SNVBAGLBSA-N 1 0 293.298 2.006 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339104785 214957267 /nfs/dbraw/zinc/95/72/67/214957267.db2.gz DDDDNBZRPGQRDJ-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO Cc1cccc(C(=O)NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593918726 345552518 /nfs/dbraw/zinc/55/25/18/345552518.db2.gz JAJPCGVKSVIALD-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCCC[C@H]2CO)c1 ZINC000594014851 345567194 /nfs/dbraw/zinc/56/71/94/345567194.db2.gz OOCOTEPIVWEOOL-AWEZNQCLSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1c(C[N@@H+](C[C@@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594056221 345576035 /nfs/dbraw/zinc/57/60/35/345576035.db2.gz RYRXMUFAIBVIQA-SNVBAGLBSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594427961 345627391 /nfs/dbraw/zinc/62/73/91/345627391.db2.gz YNGLEBCLKPACTQ-WFASDCNBSA-N 1 0 289.335 2.231 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594427959 345627535 /nfs/dbraw/zinc/62/75/35/345627535.db2.gz YNGLEBCLKPACTQ-IUODEOHRSA-N 1 0 289.335 2.231 20 5 CEBDRO CC(C)(CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503426 345639579 /nfs/dbraw/zinc/63/95/79/345639579.db2.gz VXHUUKJGBBQSHW-GFCCVEGCSA-N 1 0 264.325 2.190 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507503 345640273 /nfs/dbraw/zinc/64/02/73/345640273.db2.gz FNUHZHFHSXJKEI-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO COCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594516628 345642067 /nfs/dbraw/zinc/64/20/67/345642067.db2.gz YDVJLWSOOXSGIA-UHFFFAOYSA-N 1 0 256.327 2.173 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](O)C1)CCC2 ZINC000595101244 345742269 /nfs/dbraw/zinc/74/22/69/345742269.db2.gz CMYQHXHFAQWSEY-JKOKRWQUSA-N 1 0 262.309 2.085 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312430 345760020 /nfs/dbraw/zinc/76/00/20/345760020.db2.gz MLYAURMZMOIIMS-MFKMUULPSA-N 1 0 282.315 2.469 20 5 CEBDRO COC[C@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000594948803 345713780 /nfs/dbraw/zinc/71/37/80/345713780.db2.gz AGKKRSACMRHOFI-ZDUSSCGKSA-N 1 0 282.340 2.044 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000594954011 345715026 /nfs/dbraw/zinc/71/50/26/345715026.db2.gz VVRQQEFBSFMVKS-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@]1(C)OC ZINC000594996973 345723569 /nfs/dbraw/zinc/72/35/69/345723569.db2.gz WMBPYTJAZFCIPO-KGLIPLIRSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000595024480 345730239 /nfs/dbraw/zinc/73/02/39/345730239.db2.gz GHOVUUMLSSSTRK-ZDUSSCGKSA-N 1 0 276.336 2.439 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000595041013 345733276 /nfs/dbraw/zinc/73/32/76/345733276.db2.gz OMFIYCBCZVXVBB-GMXVVIOVSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000595056959 345736287 /nfs/dbraw/zinc/73/62/87/345736287.db2.gz UNOIJCXIORVZCX-YGRLFVJLSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1noc(CN(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000595550320 345810180 /nfs/dbraw/zinc/81/01/80/345810180.db2.gz HAABHNHGWDGZGI-UHFFFAOYSA-N 1 0 296.371 2.197 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595558608 345813136 /nfs/dbraw/zinc/81/31/36/345813136.db2.gz CDVZFLNRBDGFAD-UHFFFAOYSA-N 1 0 296.371 2.197 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000595562209 345814542 /nfs/dbraw/zinc/81/45/42/345814542.db2.gz RVRBBODLIXGLFD-CYBMUJFWSA-N 1 0 282.315 2.471 20 5 CEBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595316698 345760841 /nfs/dbraw/zinc/76/08/41/345760841.db2.gz IWDINLNTNBCBDB-CQSZACIVSA-N 1 0 293.342 2.402 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595405169 345775037 /nfs/dbraw/zinc/77/50/37/345775037.db2.gz UXLZSXOFPBHCLH-DTWKUNHWSA-N 1 0 253.302 2.369 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458329 345788435 /nfs/dbraw/zinc/78/84/35/345788435.db2.gz GOOZUOKYPJBAFL-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521643 345802551 /nfs/dbraw/zinc/80/25/51/345802551.db2.gz JSSBUIWGJOXPLQ-GFCCVEGCSA-N 1 0 268.288 2.391 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595731362 345861647 /nfs/dbraw/zinc/86/16/47/345861647.db2.gz DHGVXTZASWVPQO-GHMZBOCLSA-N 1 0 294.351 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000595633591 345833481 /nfs/dbraw/zinc/83/34/81/345833481.db2.gz PLHGXVBLOCOLKE-SCDSUCTJSA-N 1 0 294.326 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595752696 345866529 /nfs/dbraw/zinc/86/65/29/345866529.db2.gz VMMROSRERVCWRN-MRXNPFEDSA-N 1 0 290.363 2.374 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595764995 345870082 /nfs/dbraw/zinc/87/00/82/345870082.db2.gz FUWFQPCWHMDWNY-JOYOIKCWSA-N 1 0 268.288 2.079 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595777663 345874536 /nfs/dbraw/zinc/87/45/36/345874536.db2.gz IVSURCFISSLCOJ-QWHCGFSZSA-N 1 0 280.299 2.127 20 5 CEBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602581653 347087979 /nfs/dbraw/zinc/08/79/79/347087979.db2.gz YMDKPSMNKVTHGB-CQSZACIVSA-N 1 0 264.325 2.152 20 5 CEBDRO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055496 345928987 /nfs/dbraw/zinc/92/89/87/345928987.db2.gz URBLNPDMLSOZPB-SNVBAGLBSA-N 1 0 292.295 2.003 20 5 CEBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596090131 345937109 /nfs/dbraw/zinc/93/71/09/345937109.db2.gz LWIKPNVYCPBJHE-UHFFFAOYSA-N 1 0 255.343 2.471 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596090936 345937956 /nfs/dbraw/zinc/93/79/56/345937956.db2.gz SDVJFBVDFMWILG-LBPRGKRZSA-N 1 0 291.351 2.390 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596110964 345942128 /nfs/dbraw/zinc/94/21/28/345942128.db2.gz SVKLECKNFIAPJJ-NSHDSACASA-N 1 0 299.396 2.487 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596126818 345945717 /nfs/dbraw/zinc/94/57/17/345945717.db2.gz QGDXXUXCSKMJFK-VIFPVBQESA-N 1 0 284.747 2.031 20 5 CEBDRO CCCN(CC[NH+](CC)CC)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596195085 345966403 /nfs/dbraw/zinc/96/64/03/345966403.db2.gz FKCZDMCVDRJEOD-UHFFFAOYSA-N 1 0 295.387 2.130 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000596308677 345996233 /nfs/dbraw/zinc/99/62/33/345996233.db2.gz KIBIVPALYPLXMO-SECBINFHSA-N 1 0 282.319 2.414 20 5 CEBDRO C[C@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295126821 199358844 /nfs/dbraw/zinc/35/88/44/199358844.db2.gz JKAIKUNGMFIDBE-NSHDSACASA-N 1 0 282.340 2.065 20 5 CEBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944447 346256170 /nfs/dbraw/zinc/25/61/70/346256170.db2.gz CWSKAMVCSUZAIH-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000062010320 362701357 /nfs/dbraw/zinc/70/13/57/362701357.db2.gz GINGPLFQKDUZDO-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647121 346391982 /nfs/dbraw/zinc/39/19/82/346391982.db2.gz NRRXASZHNOLFKK-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913235 346433274 /nfs/dbraw/zinc/43/32/74/346433274.db2.gz FVIFGALCPPTMBH-RQJHMYQMSA-N 1 0 286.719 2.105 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914509 346433359 /nfs/dbraw/zinc/43/33/59/346433359.db2.gz GVBPOVWQOMHWLM-CYBMUJFWSA-N 1 0 298.318 2.229 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067245 346454793 /nfs/dbraw/zinc/45/47/93/346454793.db2.gz YEPVYUBANINLKD-NILFDRSVSA-N 1 0 294.351 2.094 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066527 346454814 /nfs/dbraw/zinc/45/48/14/346454814.db2.gz RRYZWNXMKWQNSM-RRFJBIMHSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599081313 346457258 /nfs/dbraw/zinc/45/72/58/346457258.db2.gz LQUVOWLOCBQILH-SGMGOOAPSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084661 346458188 /nfs/dbraw/zinc/45/81/88/346458188.db2.gz DSWHHMDQQPAQHZ-BREBYQMCSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089021 346458593 /nfs/dbraw/zinc/45/85/93/346458593.db2.gz LCOYABQARGCIOR-SNVBAGLBSA-N 1 0 287.310 2.442 20 5 CEBDRO C[NH2+]CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063159106 362753482 /nfs/dbraw/zinc/75/34/82/362753482.db2.gz UUCCAYLLUQFRJW-UHFFFAOYSA-N 1 0 269.370 2.088 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602603474 347096358 /nfs/dbraw/zinc/09/63/58/347096358.db2.gz BAPPJDWMOIRGDK-KYZUINATSA-N 1 0 297.742 2.248 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1c(OC)cccc1[N+](=O)[O-] ZINC000600676003 346671291 /nfs/dbraw/zinc/67/12/91/346671291.db2.gz RCOCZMXJDRWLOR-VHSXEESVSA-N 1 0 265.313 2.156 20 5 CEBDRO CC[C@@H](C)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149332 346770097 /nfs/dbraw/zinc/77/00/97/346770097.db2.gz LKIIVONGMIBVAG-BXUZGUMPSA-N 1 0 266.341 2.438 20 5 CEBDRO C[C@H](CCCO)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170712 346776402 /nfs/dbraw/zinc/77/64/02/346776402.db2.gz VLVGVMXSBGGPBO-LLVKDONJSA-N 1 0 289.335 2.385 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1(C)C ZINC000602615522 347104360 /nfs/dbraw/zinc/10/43/60/347104360.db2.gz INPXQAGXGWBWLV-SNVBAGLBSA-N 1 0 266.345 2.196 20 5 CEBDRO CCOc1cc(N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000601193340 346782590 /nfs/dbraw/zinc/78/25/90/346782590.db2.gz FWTHKNSMWYHJQT-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC([NH+]2CCCC2)C1 ZINC000601194274 346783645 /nfs/dbraw/zinc/78/36/45/346783645.db2.gz XAWFLGUOYDNCNM-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C)CC1 ZINC000602769811 347190220 /nfs/dbraw/zinc/19/02/20/347190220.db2.gz ROYBTPMATLNGQW-NSHDSACASA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C(C)C)C(C)C ZINC000602806023 347207489 /nfs/dbraw/zinc/20/74/89/347207489.db2.gz RTDCTHQAMVHMIP-UHFFFAOYSA-N 1 0 268.361 2.370 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000602813460 347210171 /nfs/dbraw/zinc/21/01/71/347210171.db2.gz GBBNRZKZFFZGIT-ZDUSSCGKSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751623 347185034 /nfs/dbraw/zinc/18/50/34/347185034.db2.gz JVVBVDDUIPBYIT-MRXNPFEDSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC(C)C ZINC000602765357 347188698 /nfs/dbraw/zinc/18/86/98/347188698.db2.gz JUKFSCOMZLMGKH-UHFFFAOYSA-N 1 0 254.334 2.078 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000602938748 347252167 /nfs/dbraw/zinc/25/21/67/347252167.db2.gz PWVIOBAKOQMXDI-UHFFFAOYSA-N 1 0 290.323 2.137 20 5 CEBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836914 347219089 /nfs/dbraw/zinc/21/90/89/347219089.db2.gz INTPTAFXHKLMBL-SECBINFHSA-N 1 0 252.318 2.091 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000602938794 347252375 /nfs/dbraw/zinc/25/23/75/347252375.db2.gz RHNYXRLYOBQCRJ-UHFFFAOYSA-N 1 0 290.323 2.137 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982679 179210279 /nfs/dbraw/zinc/21/02/79/179210279.db2.gz HICNWSVICORTIO-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185624 347303191 /nfs/dbraw/zinc/30/31/91/347303191.db2.gz KSGYGBBUEZWXBA-NXEZZACHSA-N 1 0 275.312 2.076 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000336829533 365892181 /nfs/dbraw/zinc/89/21/81/365892181.db2.gz COKHUEYJFZABMX-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1c(C(=O)NC(C)(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000336835005 365904280 /nfs/dbraw/zinc/90/42/80/365904280.db2.gz SXUWFJMPYSZNJL-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[NH2+]CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000129907678 365904626 /nfs/dbraw/zinc/90/46/26/365904626.db2.gz IJHYOCXMJJYFSG-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833612 347652436 /nfs/dbraw/zinc/65/24/36/347652436.db2.gz OYFQFYBTBXNUAV-CYBMUJFWSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000609851252 347653019 /nfs/dbraw/zinc/65/30/19/347653019.db2.gz ZEJIHYRYMVHQFD-NSHDSACASA-N 1 0 297.380 2.261 20 5 CEBDRO COC1CC[NH+](CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000610573671 347692952 /nfs/dbraw/zinc/69/29/52/347692952.db2.gz NQBPFVDGVOURSE-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370623 347770364 /nfs/dbraw/zinc/77/03/64/347770364.db2.gz LLRPJIJUNZWSCJ-SECBINFHSA-N 1 0 255.343 2.410 20 5 CEBDRO CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092125 347739056 /nfs/dbraw/zinc/73/90/56/347739056.db2.gz JGYAJMVXKLKUGQ-JTQLQIEISA-N 1 0 269.370 2.182 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)c2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000611519159 347789981 /nfs/dbraw/zinc/78/99/81/347789981.db2.gz RPJDUNNQLARARV-VIFPVBQESA-N 1 0 290.323 2.486 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336895135 365939042 /nfs/dbraw/zinc/93/90/42/365939042.db2.gz MOJYZTUQNPBFGS-NHYWBVRUSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H]1CCCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000614191467 348156655 /nfs/dbraw/zinc/15/66/55/348156655.db2.gz ASLYYLDJHQFZTO-AAEUAGOBSA-N 1 0 266.345 2.350 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ccncc1[N+](=O)[O-])CC2 ZINC000614976492 348262355 /nfs/dbraw/zinc/26/23/55/348262355.db2.gz ALUYXOAFSPLYMK-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000615034171 348270074 /nfs/dbraw/zinc/27/00/74/348270074.db2.gz CSYDGRJTTRUGEO-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO CC[C@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000616865129 348580983 /nfs/dbraw/zinc/58/09/83/348580983.db2.gz BWPVDEZSYKWIEO-AWEZNQCLSA-N 1 0 298.314 2.401 20 5 CEBDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000128996814 187403811 /nfs/dbraw/zinc/40/38/11/187403811.db2.gz HXFARCSFYDSQSQ-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCO ZINC000271156463 190967447 /nfs/dbraw/zinc/96/74/47/190967447.db2.gz RFPCYGCHQHSFCG-SNVBAGLBSA-N 1 0 270.354 2.047 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000273997346 192395184 /nfs/dbraw/zinc/39/51/84/192395184.db2.gz KKFHEUVZQGCLLD-MNOVXSKESA-N 1 0 280.324 2.272 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619567080 349200321 /nfs/dbraw/zinc/20/03/21/349200321.db2.gz MTYVEPNPEXNLOS-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539714 180000357 /nfs/dbraw/zinc/00/03/57/180000357.db2.gz SSXOCMLOVGJTDM-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C)CC1 ZINC000104661085 186012321 /nfs/dbraw/zinc/01/23/21/186012321.db2.gz HEEZFGALCVNZPY-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204398 219360038 /nfs/dbraw/zinc/36/00/38/219360038.db2.gz XPUPIDHHLKBVAB-QWRGUYRKSA-N 1 0 252.314 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110646299 186308794 /nfs/dbraw/zinc/30/87/94/186308794.db2.gz ZFIYLBOCUJHYMN-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070014898 363020585 /nfs/dbraw/zinc/02/05/85/363020585.db2.gz LVZHMZFELOIVHZ-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000070087341 363031415 /nfs/dbraw/zinc/03/14/15/363031415.db2.gz FQQKAWLNFFCISJ-SNVBAGLBSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000070169991 363043258 /nfs/dbraw/zinc/04/32/58/363043258.db2.gz DWLDCKAUNHTGAL-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO C[NH2+]CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070189141 363050966 /nfs/dbraw/zinc/05/09/66/363050966.db2.gz RKROKKQIICDCPI-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361298 363076096 /nfs/dbraw/zinc/07/60/96/363076096.db2.gz NBWRCBNZNSHSIU-ZYHUDNBSSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000122094848 187014737 /nfs/dbraw/zinc/01/47/37/187014737.db2.gz BNOGWWKEIVLWGW-GFCCVEGCSA-N 1 0 285.369 2.150 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000123270776 187081916 /nfs/dbraw/zinc/08/19/16/187081916.db2.gz YTNBQSGPPSRBKB-JSGCOSHPSA-N 1 0 289.379 2.352 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)n1 ZINC000123704065 187105327 /nfs/dbraw/zinc/10/53/27/187105327.db2.gz ALTYMCWANUFKGA-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291946391 198114658 /nfs/dbraw/zinc/11/46/58/198114658.db2.gz UJHJYFLYYXFPIX-ZDUSSCGKSA-N 1 0 294.351 2.473 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000291997051 198130099 /nfs/dbraw/zinc/13/00/99/198130099.db2.gz UZUHHOGTEXNKFV-SNVBAGLBSA-N 1 0 297.330 2.192 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000271503869 191178899 /nfs/dbraw/zinc/17/88/99/191178899.db2.gz MMEZVLKNUCHRHQ-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO COCC(C)(C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000292235807 198211990 /nfs/dbraw/zinc/21/19/90/198211990.db2.gz WGHQUPWGDDJMTM-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154862057 188166369 /nfs/dbraw/zinc/16/63/69/188166369.db2.gz UWVXIEDBZCJGEW-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+](CCn2ccnc2)C2CC2)c1 ZINC000131770360 366087107 /nfs/dbraw/zinc/08/71/07/366087107.db2.gz JTDHHIXUQBGEQL-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000292906728 198457112 /nfs/dbraw/zinc/45/71/12/198457112.db2.gz FBKIAMUHFGVRHJ-JTQLQIEISA-N 1 0 256.327 2.171 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451553431 283032638 /nfs/dbraw/zinc/03/26/38/283032638.db2.gz YQSSFYCTWUQNJI-IUODEOHRSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000074747892 363381628 /nfs/dbraw/zinc/38/16/28/363381628.db2.gz KJBPDYGNDKLGHP-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074748465 363381636 /nfs/dbraw/zinc/38/16/36/363381636.db2.gz ZFXTVSRSNBCXIZ-LBPRGKRZSA-N 1 0 264.329 2.050 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000364986293 283079097 /nfs/dbraw/zinc/07/90/97/283079097.db2.gz LCOAZHSTFGENBS-QMTHXVAHSA-N 1 0 279.315 2.264 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000452045412 283170177 /nfs/dbraw/zinc/17/01/77/283170177.db2.gz XDZFKODIDMCQTJ-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344542 363538254 /nfs/dbraw/zinc/53/82/54/363538254.db2.gz DACZRJMBDFQLHD-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000415505472 236676872 /nfs/dbraw/zinc/67/68/72/236676872.db2.gz QHLLHTHLAXQQBR-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136166805 366500250 /nfs/dbraw/zinc/50/02/50/366500250.db2.gz VIMODLKNBRYHDJ-OAHLLOKOSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000417396991 237109217 /nfs/dbraw/zinc/10/92/17/237109217.db2.gz GOVZKVRUHNOYJM-OFQRWUPVSA-N 1 0 290.363 2.419 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000579454263 366648219 /nfs/dbraw/zinc/64/82/19/366648219.db2.gz GOLABOOGERQSJI-CHWSQXEVSA-N 1 0 298.346 2.331 20 5 CEBDRO C[NH+](C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151909384 366673510 /nfs/dbraw/zinc/67/35/10/366673510.db2.gz FLYGACHLBPSLMC-HNNXBMFYSA-N 1 0 291.395 2.457 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000295163764 283522680 /nfs/dbraw/zinc/52/26/80/283522680.db2.gz SNRFIKICFWRZDX-NSHDSACASA-N 1 0 298.339 2.214 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081519054 363722873 /nfs/dbraw/zinc/72/28/73/363722873.db2.gz LRCKCDHGVYATRJ-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1c(C(=O)N(CC[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000151987507 366681104 /nfs/dbraw/zinc/68/11/04/366681104.db2.gz LBIGSQQGHYOCLT-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO CCOC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081521068 363725554 /nfs/dbraw/zinc/72/55/54/363725554.db2.gz DCZCLOWXXOEBJE-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373463 189111125 /nfs/dbraw/zinc/11/11/25/189111125.db2.gz KDTYSVXLENEKSK-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO C[C@@H]([NH3+])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178640642 189133728 /nfs/dbraw/zinc/13/37/28/189133728.db2.gz MBJGTWOKWZDBSC-MRVPVSSYSA-N 1 0 293.348 2.277 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181349553 189294464 /nfs/dbraw/zinc/29/44/64/189294464.db2.gz AZNHJZVPCLXKLI-LBPRGKRZSA-N 1 0 287.319 2.107 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1O ZINC000342299234 216299950 /nfs/dbraw/zinc/29/99/50/216299950.db2.gz LKYBPSUQJGYYSQ-VHSXEESVSA-N 1 0 284.287 2.289 20 5 CEBDRO CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181762189 189305992 /nfs/dbraw/zinc/30/59/92/189305992.db2.gz XMZWYQNQNLIQEE-CYBMUJFWSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826374 189307455 /nfs/dbraw/zinc/30/74/55/189307455.db2.gz QYMCQIDJWBJYCS-VXGBXAGGSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1F ZINC000181951604 189310732 /nfs/dbraw/zinc/31/07/32/189310732.db2.gz TUQWZNCDVRWXHX-VIFPVBQESA-N 1 0 296.277 2.420 20 5 CEBDRO Cc1nn(CC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000154187031 366761560 /nfs/dbraw/zinc/76/15/60/366761560.db2.gz XBKZFIYWHOKRII-UHFFFAOYSA-N 1 0 266.345 2.140 20 5 CEBDRO O=C(CC[NH2+]C[C@H]1CC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000581721565 366814756 /nfs/dbraw/zinc/81/47/56/366814756.db2.gz CJTSDWPGMGMNJG-LLVKDONJSA-N 1 0 289.335 2.313 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H](C)O ZINC000183355160 189356771 /nfs/dbraw/zinc/35/67/71/189356771.db2.gz ADMAZXYLSVONQS-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO CCCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991610 361604794 /nfs/dbraw/zinc/60/47/94/361604794.db2.gz RMIWQJFYGXIFHJ-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000301917841 201264198 /nfs/dbraw/zinc/26/41/98/201264198.db2.gz AZCWYKPWFGGVHB-JTQLQIEISA-N 1 0 255.343 2.408 20 5 CEBDRO O=[N+]([O-])c1ccsc1NCCCC[NH+]1CCOCC1 ZINC000301931475 201267012 /nfs/dbraw/zinc/26/70/12/201267012.db2.gz LQGCDYNVEHVAEE-UHFFFAOYSA-N 1 0 285.369 2.181 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089106775 363931241 /nfs/dbraw/zinc/93/12/41/363931241.db2.gz XZWXWHLTJHWYCZ-WCQYABFASA-N 1 0 291.351 2.151 20 5 CEBDRO COCCC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092537166 364079519 /nfs/dbraw/zinc/07/95/19/364079519.db2.gz HSUJOGWODQCPCY-UHFFFAOYSA-N 1 0 298.339 2.080 20 5 CEBDRO CCn1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000090172167 364044694 /nfs/dbraw/zinc/04/46/94/364044694.db2.gz TVYOCHHEQNSXTL-UHFFFAOYSA-N 1 0 260.297 2.101 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090795016 364063871 /nfs/dbraw/zinc/06/38/71/364063871.db2.gz MXNVLMBECOFMTM-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1c(CN2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342165 364268667 /nfs/dbraw/zinc/26/86/67/364268667.db2.gz MMTUDTPZFVVSHV-ZWNOBZJWSA-N 1 0 263.341 2.072 20 5 CEBDRO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775819 364295382 /nfs/dbraw/zinc/29/53/82/364295382.db2.gz IPZBCMIISGSPMX-UHFFFAOYSA-N 1 0 284.287 2.119 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774325 364295887 /nfs/dbraw/zinc/29/58/87/364295887.db2.gz UNHDZUGEFDLEJG-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000111831121 364764485 /nfs/dbraw/zinc/76/44/85/364764485.db2.gz AAICAIZTQRMTBA-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797009 365476580 /nfs/dbraw/zinc/47/65/80/365476580.db2.gz ZJUQJEDSURWMRW-OLZOCXBDSA-N 1 0 279.340 2.290 20 5 CEBDRO CCC(CC)(CO)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120505785 365433794 /nfs/dbraw/zinc/43/37/94/365433794.db2.gz XUPAVBYAIWFFEE-UHFFFAOYSA-N 1 0 296.367 2.492 20 5 CEBDRO CCSCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000275810978 193135969 /nfs/dbraw/zinc/13/59/69/193135969.db2.gz PZTRTLRSKPQUOB-UHFFFAOYSA-N 1 0 254.355 2.480 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000159535360 366923944 /nfs/dbraw/zinc/92/39/44/366923944.db2.gz AJAQAFFOABXHSB-JSGCOSHPSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160950805 367045637 /nfs/dbraw/zinc/04/56/37/367045637.db2.gz XDJNYLDNRYELDJ-LLVKDONJSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)O ZINC000160658796 367025936 /nfs/dbraw/zinc/02/59/36/367025936.db2.gz KHTWSTAKMHFDAP-NSHDSACASA-N 1 0 266.341 2.276 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000340969601 367113231 /nfs/dbraw/zinc/11/32/31/367113231.db2.gz NGFVNRZQNVEFGA-NSHDSACASA-N 1 0 295.387 2.177 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000162726737 367184465 /nfs/dbraw/zinc/18/44/65/367184465.db2.gz LLQRPZLFOCTBFF-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@@H]1O ZINC000601156102 367216393 /nfs/dbraw/zinc/21/63/93/367216393.db2.gz LHMXWBTXFQLALS-JRCXTIHVSA-N 1 0 262.309 2.111 20 5 CEBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000341288197 367270498 /nfs/dbraw/zinc/27/04/98/367270498.db2.gz ZRMSIMZIHPAXKG-JSGCOSHPSA-N 1 0 264.325 2.500 20 5 CEBDRO CO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170818407 367422989 /nfs/dbraw/zinc/42/29/89/367422989.db2.gz ZBCBCSQHASNRFO-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170817643 367423475 /nfs/dbraw/zinc/42/34/75/367423475.db2.gz ZLIDKEJIAUEUGF-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCO1 ZINC000342592012 367438352 /nfs/dbraw/zinc/43/83/52/367438352.db2.gz FDGLNKUGRIUQPT-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCC2CC2)c1 ZINC000572476176 299371725 /nfs/dbraw/zinc/37/17/25/299371725.db2.gz KULMWPIXAHDKQI-AWEZNQCLSA-N 1 0 294.351 2.114 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171301557 367518230 /nfs/dbraw/zinc/51/82/30/367518230.db2.gz RWQSAGONUXRLDT-NSHDSACASA-N 1 0 292.335 2.368 20 5 CEBDRO C[C@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172621684 367790276 /nfs/dbraw/zinc/79/02/76/367790276.db2.gz ZSCJTPTVTUVVKY-GXSJLCMTSA-N 1 0 297.380 2.211 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343439097 367815811 /nfs/dbraw/zinc/81/58/11/367815811.db2.gz IWYNEVFAVHLLCF-RISCZKNCSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345154 367899430 /nfs/dbraw/zinc/89/94/30/367899430.db2.gz CJFXJWQURPMQSZ-GMSGAONNSA-N 1 0 278.230 2.169 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+](C)C ZINC000343812783 368018960 /nfs/dbraw/zinc/01/89/60/368018960.db2.gz WATJPHJFUQTDNC-SNVBAGLBSA-N 1 0 267.329 2.103 20 5 CEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304063016 201630570 /nfs/dbraw/zinc/63/05/70/201630570.db2.gz RFKPPPILIJQAKE-FZMZJTMJSA-N 1 0 266.341 2.482 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182193726 368532826 /nfs/dbraw/zinc/53/28/26/368532826.db2.gz DDVQIJNVDMZOQI-ZDUSSCGKSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000182708523 368583386 /nfs/dbraw/zinc/58/33/86/368583386.db2.gz QVYZNLGOWLAWRS-LBPRGKRZSA-N 1 0 293.367 2.315 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338681 368643117 /nfs/dbraw/zinc/64/31/17/368643117.db2.gz RTZLZVDSFJFWJQ-ITQIOGMESA-N 1 0 288.347 2.311 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184736820 368715762 /nfs/dbraw/zinc/71/57/62/368715762.db2.gz FKQDPUFOMOYMID-MNOVXSKESA-N 1 0 280.324 2.272 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346630627 368742758 /nfs/dbraw/zinc/74/27/58/368742758.db2.gz BXIMNQHCGBWOOZ-GBXSZLQWSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246160444 370917932 /nfs/dbraw/zinc/91/79/32/370917932.db2.gz QKJXKNAAWCYVEV-OLZOCXBDSA-N 1 0 296.396 2.151 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC000246243380 370934282 /nfs/dbraw/zinc/93/42/82/370934282.db2.gz SAWKLKBZNFBULX-VXGBXAGGSA-N 1 0 264.329 2.056 20 5 CEBDRO CCC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185858275 368873649 /nfs/dbraw/zinc/87/36/49/368873649.db2.gz CABLZRANDRXFKB-LBPRGKRZSA-N 1 0 266.345 2.446 20 5 CEBDRO CCC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185880234 368879763 /nfs/dbraw/zinc/87/97/63/368879763.db2.gz UVYKCQLXBZOIGA-CYBMUJFWSA-N 1 0 293.367 2.411 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000348554379 369088084 /nfs/dbraw/zinc/08/80/84/369088084.db2.gz YBBFOXVAILUWCX-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000348557359 369089086 /nfs/dbraw/zinc/08/90/86/369089086.db2.gz QJWGQHXBUGUYHO-IORUMNFESA-N 1 0 276.336 2.453 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000348557360 369089335 /nfs/dbraw/zinc/08/93/35/369089335.db2.gz QJWGQHXBUGUYHO-JFOCPDPESA-N 1 0 276.336 2.453 20 5 CEBDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352404383 369713796 /nfs/dbraw/zinc/71/37/96/369713796.db2.gz GMGZCDVQGFKGOQ-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO C[C@@H]([NH2+]CCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000276514879 193364584 /nfs/dbraw/zinc/36/45/84/193364584.db2.gz BHVSESOASJGIMV-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192015299 369764557 /nfs/dbraw/zinc/76/45/57/369764557.db2.gz MLKRJIHTQKFBGO-NEPJUHHUSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000192044862 369767799 /nfs/dbraw/zinc/76/77/99/369767799.db2.gz WGJFORXGDXFFRO-NEPJUHHUSA-N 1 0 293.367 2.017 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540485 369779144 /nfs/dbraw/zinc/77/91/44/369779144.db2.gz LRUWWFZSGASLOP-LBPRGKRZSA-N 1 0 280.324 2.072 20 5 CEBDRO Cc1cnn(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352545603 369781663 /nfs/dbraw/zinc/78/16/63/369781663.db2.gz YONBZEIRWCFUSR-UHFFFAOYSA-N 1 0 288.351 2.274 20 5 CEBDRO C[C@H]([NH2+]CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000192927280 369873204 /nfs/dbraw/zinc/87/32/04/369873204.db2.gz MJBRLZNCXOQMOT-NSHDSACASA-N 1 0 252.314 2.408 20 5 CEBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352767880 369875335 /nfs/dbraw/zinc/87/53/35/369875335.db2.gz DAMJBCMGRPSWRN-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353039668 369997357 /nfs/dbraw/zinc/99/73/57/369997357.db2.gz QZNAJGXAGLGADK-AAEUAGOBSA-N 1 0 264.325 2.357 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353163835 370047996 /nfs/dbraw/zinc/04/79/96/370047996.db2.gz CRMPGMMLNJRUGW-UONOGXRCSA-N 1 0 298.314 2.018 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000218104869 370204918 /nfs/dbraw/zinc/20/49/18/370204918.db2.gz FXMPFFQYHNYCGD-AWEZNQCLSA-N 1 0 266.341 2.278 20 5 CEBDRO CCC[C@H]([NH2+][C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223959002 370275208 /nfs/dbraw/zinc/27/52/08/370275208.db2.gz AYXHLXCULMLOOG-HIFRSBDPSA-N 1 0 296.367 2.423 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000227116516 370360495 /nfs/dbraw/zinc/36/04/95/370360495.db2.gz WLILBDSSRGUQPS-UHFFFAOYSA-N 1 0 297.311 2.097 20 5 CEBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000227551331 370373755 /nfs/dbraw/zinc/37/37/55/370373755.db2.gz FKLRPPKILKAGHE-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000227649074 370378564 /nfs/dbraw/zinc/37/85/64/370378564.db2.gz JUKXGJUYXCFJOG-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO C[C@H](CO)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230159979 370442374 /nfs/dbraw/zinc/44/23/74/370442374.db2.gz ALLZBTKPQSJEHF-VIFPVBQESA-N 1 0 258.343 2.155 20 5 CEBDRO Cn1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000230881542 370468116 /nfs/dbraw/zinc/46/81/16/370468116.db2.gz ZNQZYJQPVFMJRN-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231486716 370481170 /nfs/dbraw/zinc/48/11/70/370481170.db2.gz UIUUYUZVYGVSOD-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000231708438 370491065 /nfs/dbraw/zinc/49/10/65/370491065.db2.gz FLOABGIZXIWGTK-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000231730172 370492251 /nfs/dbraw/zinc/49/22/51/370492251.db2.gz XTIYORNCNGXVFF-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248422991 371193185 /nfs/dbraw/zinc/19/31/85/371193185.db2.gz YWMJYCGISZZMRJ-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000359087855 371332280 /nfs/dbraw/zinc/33/22/80/371332280.db2.gz YVPZSEHTPIYNFL-LLVKDONJSA-N 1 0 276.340 2.255 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251818532 371417480 /nfs/dbraw/zinc/41/74/80/371417480.db2.gz ZMUPIMZLZAODEE-IJLUTSLNSA-N 1 0 263.341 2.338 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249979527 371373135 /nfs/dbraw/zinc/37/31/35/371373135.db2.gz LEXFWUZYCVEIRW-SMDDNHRTSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250137211 371379162 /nfs/dbraw/zinc/37/91/62/371379162.db2.gz YIIWNQFWUKZHAE-ZOWXZIJZSA-N 1 0 292.335 2.261 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000359219995 371381480 /nfs/dbraw/zinc/38/14/80/371381480.db2.gz IBMLDNHGNBLLEV-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251892700 371422944 /nfs/dbraw/zinc/42/29/44/371422944.db2.gz QKNYNJKEYGQIBR-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360027015 371500303 /nfs/dbraw/zinc/50/03/03/371500303.db2.gz CGEBRFWLJMJHDW-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361065543 371631026 /nfs/dbraw/zinc/63/10/26/371631026.db2.gz KQNFPTHYKLDYMA-CYBMUJFWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N)s1 ZINC000261638909 371687507 /nfs/dbraw/zinc/68/75/07/371687507.db2.gz KRTPGIXQRNIUOX-UHFFFAOYSA-N 1 0 292.364 2.308 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1[NH2+]CCCC1(C)C ZINC000261661365 371695438 /nfs/dbraw/zinc/69/54/38/371695438.db2.gz KPELBLXTTJXDKX-LLVKDONJSA-N 1 0 295.387 2.310 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000361168948 371696388 /nfs/dbraw/zinc/69/63/88/371696388.db2.gz GCUMUUGHWCCRHL-GFCCVEGCSA-N 1 0 293.371 2.005 20 5 CEBDRO Cc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961750 371785956 /nfs/dbraw/zinc/78/59/56/371785956.db2.gz HJLMLDZXMHASPV-OAHLLOKOSA-N 1 0 275.352 2.089 20 5 CEBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361402066 371830431 /nfs/dbraw/zinc/83/04/31/371830431.db2.gz GHZYPNYBHDQNDK-AWEZNQCLSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000262743371 371904714 /nfs/dbraw/zinc/90/47/14/371904714.db2.gz JRNXQEXEMMBBKG-PSASIEDQSA-N 1 0 297.380 2.307 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344167675 217083108 /nfs/dbraw/zinc/08/31/08/217083108.db2.gz NQRAEFNENHOCDR-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796053 372227062 /nfs/dbraw/zinc/22/70/62/372227062.db2.gz BRXHUUZRGRTHEY-GXTWGEPZSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880954 372269967 /nfs/dbraw/zinc/26/99/67/372269967.db2.gz XPHLTNFRNAXWDG-LDYMZIIASA-N 1 0 292.257 2.477 20 5 CEBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621835 372509194 /nfs/dbraw/zinc/50/91/94/372509194.db2.gz BAMNGDSHPUGZJQ-UHIISALHSA-N 1 0 264.325 2.216 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000344407238 217184348 /nfs/dbraw/zinc/18/43/48/217184348.db2.gz JPUWYEPTGWAVJO-OAHLLOKOSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH2+]C(C)(C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000269930563 372603030 /nfs/dbraw/zinc/60/30/30/372603030.db2.gz DBCHDAOQNFHIRS-UHFFFAOYSA-N 1 0 259.256 2.283 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270085209 372659907 /nfs/dbraw/zinc/65/99/07/372659907.db2.gz JPIBZGMVEDQPLM-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO COCCC[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000363994010 372654646 /nfs/dbraw/zinc/65/46/46/372654646.db2.gz QUXSCORAXNVACQ-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344508190 217217206 /nfs/dbraw/zinc/21/72/06/217217206.db2.gz DGPKTRKOQCGQCB-VSKVDJIOSA-N 1 0 296.392 2.312 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353453935 220090718 /nfs/dbraw/zinc/09/07/18/220090718.db2.gz HORNDKYINIZDEB-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271036109 373084604 /nfs/dbraw/zinc/08/46/04/373084604.db2.gz YEMVBXXWVFGFLM-WDEREUQCSA-N 1 0 292.257 2.386 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271078669 373107710 /nfs/dbraw/zinc/10/77/10/373107710.db2.gz IBTBVGHCWFFDGD-BPJJOFIESA-N 1 0 290.319 2.103 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CO ZINC000344818124 217321181 /nfs/dbraw/zinc/32/11/81/217321181.db2.gz FDIARWOKQMPAFA-BCMYLCSRSA-N 1 0 264.325 2.216 20 5 CEBDRO Cc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000353574687 220168219 /nfs/dbraw/zinc/16/82/19/220168219.db2.gz YKHNUANUKREEFV-UHFFFAOYSA-N 1 0 289.339 2.020 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000272245566 373381929 /nfs/dbraw/zinc/38/19/29/373381929.db2.gz BHUHJAQSJCOFGE-NSHDSACASA-N 1 0 252.314 2.236 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369662764 373481323 /nfs/dbraw/zinc/48/13/23/373481323.db2.gz GSLDUBVNJRWICV-GXTWGEPZSA-N 1 0 292.335 2.084 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998684 374119876 /nfs/dbraw/zinc/11/98/76/374119876.db2.gz GAIWUEYRQQDBLV-DOMZBBRYSA-N 1 0 277.368 2.367 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000276829683 374315752 /nfs/dbraw/zinc/31/57/52/374315752.db2.gz WJQHOJJZAJVCBB-WOPDTQHZSA-N 1 0 264.325 2.216 20 5 CEBDRO Cc1ccnc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000276964311 374361762 /nfs/dbraw/zinc/36/17/62/374361762.db2.gz DBHJYTBIBCNAHL-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000277141783 374415196 /nfs/dbraw/zinc/41/51/96/374415196.db2.gz HQMCOGJZQUVSTB-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1cccc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000277237910 374448616 /nfs/dbraw/zinc/44/86/16/374448616.db2.gz PGIHZVCBZRDOTH-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000277299497 374469711 /nfs/dbraw/zinc/46/97/11/374469711.db2.gz CGSAQJHPZMQWJQ-ZWNOBZJWSA-N 1 0 264.325 2.418 20 5 CEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000374224634 374516599 /nfs/dbraw/zinc/51/65/99/374516599.db2.gz WHFMLESLFOVTLQ-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]21 ZINC000376756289 374729700 /nfs/dbraw/zinc/72/97/00/374729700.db2.gz CJWNSGWUWOBLNZ-IUODEOHRSA-N 1 0 293.342 2.260 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000377141860 374800295 /nfs/dbraw/zinc/80/02/95/374800295.db2.gz YBYJOOXRFIFTGM-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO CC(C)[C@]1(CO)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000377650268 374910672 /nfs/dbraw/zinc/91/06/72/374910672.db2.gz LTENLNWAGRGXHD-CYBMUJFWSA-N 1 0 284.381 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000279948050 375042314 /nfs/dbraw/zinc/04/23/14/375042314.db2.gz ZFRXRLQGEZVEKW-CYBMUJFWSA-N 1 0 264.325 2.236 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000382485742 375188026 /nfs/dbraw/zinc/18/80/26/375188026.db2.gz ZIZRXAKOHSVJQN-YUMQZZPRSA-N 1 0 270.720 2.325 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000384669827 375213465 /nfs/dbraw/zinc/21/34/65/375213465.db2.gz XSBAOQXRHHAFCJ-SUNKGSAMSA-N 1 0 280.324 2.129 20 5 CEBDRO CC[NH2+][C@H](C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000387469147 375276171 /nfs/dbraw/zinc/27/61/71/375276171.db2.gz RZIAVLGNNRQHGW-SSDOTTSWSA-N 1 0 292.261 2.419 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000389707261 375305723 /nfs/dbraw/zinc/30/57/23/375305723.db2.gz LTOWVIFMFVXLEA-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O ZINC000386813533 375266893 /nfs/dbraw/zinc/26/68/93/375266893.db2.gz SEIFNRXGDVBYEQ-PRHODGIISA-N 1 0 272.732 2.497 20 5 CEBDRO CC(C)OC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282372870 375468817 /nfs/dbraw/zinc/46/88/17/375468817.db2.gz FHMJOJQQSGDPDP-UHFFFAOYSA-N 1 0 294.351 2.411 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311347 375454730 /nfs/dbraw/zinc/45/47/30/375454730.db2.gz MZNFXTGRUUFONX-BIBXISHDSA-N 1 0 296.392 2.465 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282599608 375526655 /nfs/dbraw/zinc/52/66/55/375526655.db2.gz XUZBNHXOUXDNJW-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000282609072 375529046 /nfs/dbraw/zinc/52/90/46/375529046.db2.gz YQODGMBOQIEKIA-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000387496369 321878633 /nfs/dbraw/zinc/87/86/33/321878633.db2.gz XBCQCDPMUQAYOU-CMPLNLGQSA-N 1 0 252.314 2.152 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000414489773 375835593 /nfs/dbraw/zinc/83/55/93/375835593.db2.gz ZDNLYPRFASWTJZ-SNVBAGLBSA-N 1 0 298.339 2.071 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414667387 375910264 /nfs/dbraw/zinc/91/02/64/375910264.db2.gz XPMXBDPJCGICEK-WDEREUQCSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000414651980 375900438 /nfs/dbraw/zinc/90/04/38/375900438.db2.gz CNLZKAVLQWXEOG-JQWIXIFHSA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414577680 375867413 /nfs/dbraw/zinc/86/74/13/375867413.db2.gz OZEFFZJPJNPQKJ-PWSUYJOCSA-N 1 0 282.315 2.375 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000286520483 375981393 /nfs/dbraw/zinc/98/13/93/375981393.db2.gz NEOZLEUEJXKUNU-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286501996 375974583 /nfs/dbraw/zinc/97/45/83/375974583.db2.gz WNZUOIKGAHYBDA-QYJAPNMZSA-N 1 0 276.340 2.051 20 5 CEBDRO Cc1c(NC(=O)NC[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414694869 375922217 /nfs/dbraw/zinc/92/22/17/375922217.db2.gz GIHCWOBGIOGASN-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1c(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414696435 375924001 /nfs/dbraw/zinc/92/40/01/375924001.db2.gz HNVCWBZVCUWKQK-GXSJLCMTSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414701020 375928717 /nfs/dbraw/zinc/92/87/17/375928717.db2.gz KOXLDUSNIZWYDV-GHMZBOCLSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261745612 190043287 /nfs/dbraw/zinc/04/32/87/190043287.db2.gz MKDVFZLAJCMBSC-NSHDSACASA-N 1 0 277.324 2.374 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000414805664 375990769 /nfs/dbraw/zinc/99/07/69/375990769.db2.gz MDOQCMNHCYDOQJ-FZMZJTMJSA-N 1 0 277.368 2.243 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000305814358 376501478 /nfs/dbraw/zinc/50/14/78/376501478.db2.gz JJKNOSXQESNRNB-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000289754873 376482946 /nfs/dbraw/zinc/48/29/46/376482946.db2.gz VBYMTWYVOANOMF-JTQLQIEISA-N 1 0 293.371 2.182 20 5 CEBDRO CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289892634 376548188 /nfs/dbraw/zinc/54/81/88/376548188.db2.gz SYWBOMLGUPKJKN-UHFFFAOYSA-N 1 0 271.748 2.242 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000311987093 376698521 /nfs/dbraw/zinc/69/85/21/376698521.db2.gz RRYPVPSUMHSUQO-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000313808385 376753940 /nfs/dbraw/zinc/75/39/40/376753940.db2.gz HVUYAORLLXTWNU-QMTHXVAHSA-N 1 0 292.339 2.043 20 5 CEBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000313831978 376756498 /nfs/dbraw/zinc/75/64/98/376756498.db2.gz ODSBJFQIZRJYDJ-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422943413 376871194 /nfs/dbraw/zinc/87/11/94/376871194.db2.gz LJKCPDMSJVEZQT-YPMHNXCESA-N 1 0 263.341 2.073 20 5 CEBDRO Cc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000563414192 377214144 /nfs/dbraw/zinc/21/41/44/377214144.db2.gz ZTLAPOJLTKCCOZ-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC000563415747 377216374 /nfs/dbraw/zinc/21/63/74/377216374.db2.gz FSRNPUDSUQONJD-YDHLFZDLSA-N 1 0 276.336 2.475 20 5 CEBDRO CCC[C@@H](N[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423318185 377247832 /nfs/dbraw/zinc/24/78/32/377247832.db2.gz CVOZLGBGILDBBE-ZWNOBZJWSA-N 1 0 251.330 2.373 20 5 CEBDRO CC(C)(NC(=O)CC1(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423280614 377207009 /nfs/dbraw/zinc/20/70/09/377207009.db2.gz UXUBFRHGYOEKMU-UHFFFAOYSA-N 1 0 291.351 2.075 20 5 CEBDRO CC[NH+](CC)CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264944404 190146339 /nfs/dbraw/zinc/14/63/39/190146339.db2.gz WSNJBTJQBJAKQI-UHFFFAOYSA-N 1 0 293.367 2.447 20 5 CEBDRO CCOc1cccc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293097906 377428805 /nfs/dbraw/zinc/42/88/05/377428805.db2.gz PFHLYALVOTWQNZ-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438186 377429652 /nfs/dbraw/zinc/42/96/52/377429652.db2.gz DCIYLBUUPLXYBC-QMTHXVAHSA-N 1 0 289.335 2.009 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293167573 377453968 /nfs/dbraw/zinc/45/39/68/377453968.db2.gz VYIOWEFAPDXSFY-BXUZGUMPSA-N 1 0 264.325 2.236 20 5 CEBDRO CCN(CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293276494 377501705 /nfs/dbraw/zinc/50/17/05/377501705.db2.gz COCHFXBVVYNXHP-LLVKDONJSA-N 1 0 292.383 2.312 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332260876 377552478 /nfs/dbraw/zinc/55/24/78/377552478.db2.gz VLBRKGAIVXDHJO-ZNMIVQPWSA-N 1 0 290.363 2.496 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332260865 377552538 /nfs/dbraw/zinc/55/25/38/377552538.db2.gz VLBRKGAIVXDHJO-KKUMJFAQSA-N 1 0 290.363 2.496 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293405683 377553831 /nfs/dbraw/zinc/55/38/31/377553831.db2.gz MBUZFFDTAYJLOE-TXEJJXNPSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCOCC1 ZINC000332273207 377557467 /nfs/dbraw/zinc/55/74/67/377557467.db2.gz GWHCWMCCCXTWIM-LLVKDONJSA-N 1 0 250.298 2.378 20 5 CEBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332439925 377605584 /nfs/dbraw/zinc/60/55/84/377605584.db2.gz JPVYSENTTZHYHG-UHFFFAOYSA-N 1 0 298.730 2.026 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313057634 249377126 /nfs/dbraw/zinc/37/71/26/249377126.db2.gz KOFVKKTUKFTSIU-ZDUSSCGKSA-N 1 0 264.325 2.418 20 5 CEBDRO COC[C@@H]1CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000293673599 377691196 /nfs/dbraw/zinc/69/11/96/377691196.db2.gz PAEVNDGVQNHEAZ-BPJJOFIESA-N 1 0 262.309 2.329 20 5 CEBDRO Cc1nn(CC[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc12 ZINC000565769309 377694281 /nfs/dbraw/zinc/69/42/81/377694281.db2.gz HBVCLMCNQBPOEM-LLVKDONJSA-N 1 0 274.324 2.253 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293827560 377777288 /nfs/dbraw/zinc/77/72/88/377777288.db2.gz WKCLZYTZQNEZNY-UONOGXRCSA-N 1 0 278.352 2.276 20 5 CEBDRO Nc1c(F)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000443425275 378052677 /nfs/dbraw/zinc/05/26/77/378052677.db2.gz CXZVBLWPYPIFDA-VHSXEESVSA-N 1 0 294.330 2.355 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000295298294 378092331 /nfs/dbraw/zinc/09/23/31/378092331.db2.gz URNAKOUSCQOVRP-CYBMUJFWSA-N 1 0 280.324 2.131 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733241 378282009 /nfs/dbraw/zinc/28/20/09/378282009.db2.gz MCMDHFOVLIPUJH-GHMZBOCLSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000295636779 378246017 /nfs/dbraw/zinc/24/60/17/378246017.db2.gz XWGYEVSNXSHXJJ-GFCCVEGCSA-N 1 0 293.371 2.226 20 5 CEBDRO C[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296296613 378480591 /nfs/dbraw/zinc/48/05/91/378480591.db2.gz IGSWLMSQFHRQCR-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000346683348 217985834 /nfs/dbraw/zinc/98/58/34/217985834.db2.gz QLBVIYOQXKCKNQ-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC ZINC000453413155 378894147 /nfs/dbraw/zinc/89/41/47/378894147.db2.gz SKMSBGNZSNNKKE-KBPBESRZSA-N 1 0 291.351 2.086 20 5 CEBDRO Cc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000346995582 218085641 /nfs/dbraw/zinc/08/56/41/218085641.db2.gz BNCSGCOMIMAEFX-CYBMUJFWSA-N 1 0 263.341 2.216 20 5 CEBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCCC1 ZINC000299415571 378989320 /nfs/dbraw/zinc/98/93/20/378989320.db2.gz UGPWEFOQWAYZMA-UHFFFAOYSA-N 1 0 291.351 2.316 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347069748 218112492 /nfs/dbraw/zinc/11/24/92/218112492.db2.gz OSJXTCBHZBUKKO-SZWGIHMLSA-N 1 0 287.363 2.434 20 5 CEBDRO CCn1nccc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278640860 194081376 /nfs/dbraw/zinc/08/13/76/194081376.db2.gz OWNYZPGZHJSQSE-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000347268117 218174692 /nfs/dbraw/zinc/17/46/92/218174692.db2.gz JXGBVLYLESVUQS-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](O)C1 ZINC000347345998 218199797 /nfs/dbraw/zinc/19/97/97/218199797.db2.gz VDEPNAZFVVRNAP-SMJHDNPOSA-N 1 0 262.309 2.065 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CO)C1 ZINC000347360889 218204158 /nfs/dbraw/zinc/20/41/58/218204158.db2.gz PATAYSNHRQORIM-YRBHFNIASA-N 1 0 276.336 2.312 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CO)C1 ZINC000347360885 218205319 /nfs/dbraw/zinc/20/53/19/218205319.db2.gz PATAYSNHRQORIM-WEKMIXOTSA-N 1 0 276.336 2.312 20 5 CEBDRO CCOC1CC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347441490 218234738 /nfs/dbraw/zinc/23/47/38/218234738.db2.gz CXJOMVZLACFYEU-UHFFFAOYSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000515031275 379176747 /nfs/dbraw/zinc/17/67/47/379176747.db2.gz GDIIIIGUFKCRRD-SLEUVZQESA-N 1 0 294.351 2.094 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301299347 379251618 /nfs/dbraw/zinc/25/16/18/379251618.db2.gz ZUFOQVXYQWYCMC-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301307716 379253100 /nfs/dbraw/zinc/25/31/00/379253100.db2.gz ZWWCSNAMDDNHMH-LLVKDONJSA-N 1 0 293.371 2.066 20 5 CEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000301328259 379257289 /nfs/dbraw/zinc/25/72/89/379257289.db2.gz CIOQCSCGUQOMTM-JTQLQIEISA-N 1 0 266.345 2.378 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CC1 ZINC000302235064 379342697 /nfs/dbraw/zinc/34/26/97/379342697.db2.gz FBYORVYEHNTLNT-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CN1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562322 379394061 /nfs/dbraw/zinc/39/40/61/379394061.db2.gz GEJKZWTXOANWHT-FZMZJTMJSA-N 1 0 275.352 2.266 20 5 CEBDRO COc1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000303988418 379506135 /nfs/dbraw/zinc/50/61/35/379506135.db2.gz JYRQQXQQZGGFKC-NSHDSACASA-N 1 0 282.340 2.195 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266868146 190286152 /nfs/dbraw/zinc/28/61/52/190286152.db2.gz ZPTFJKZZHIKGLW-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO CCc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000266908666 190289375 /nfs/dbraw/zinc/28/93/75/190289375.db2.gz GSSNYMWRJKQMCC-UHFFFAOYSA-N 1 0 293.367 2.227 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000267250875 190315178 /nfs/dbraw/zinc/31/51/78/190315178.db2.gz IJPVAPJLGGJJKY-WDEREUQCSA-N 1 0 264.329 2.275 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268433833 190401403 /nfs/dbraw/zinc/40/14/03/190401403.db2.gz BSOMDSGSVANKEF-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000279357914 194399298 /nfs/dbraw/zinc/39/92/98/194399298.db2.gz WAQDFOPVPPHFNA-QWHCGFSZSA-N 1 0 294.351 2.114 20 5 CEBDRO Cc1ccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000280912513 195025807 /nfs/dbraw/zinc/02/58/07/195025807.db2.gz SFGJGGQYYKZOLN-ABAIWWIYSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089564 285095753 /nfs/dbraw/zinc/09/57/53/285095753.db2.gz BCRFENRHDHRXPW-GFCCVEGCSA-N 1 0 279.315 2.408 20 5 CEBDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254951 219003076 /nfs/dbraw/zinc/00/30/76/219003076.db2.gz RXCOUAHOQSXIAJ-MFKMUULPSA-N 1 0 297.786 2.330 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CCCOC1 ZINC000288490585 197093616 /nfs/dbraw/zinc/09/36/16/197093616.db2.gz QVIUMBOWRZYGIA-UHFFFAOYSA-N 1 0 292.335 2.430 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354352551 220691412 /nfs/dbraw/zinc/69/14/12/220691412.db2.gz IFYRDTWNMMIYHI-NEPJUHHUSA-N 1 0 278.356 2.299 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342078449 130240491 /nfs/dbraw/zinc/24/04/91/130240491.db2.gz RAOYDRMOUZPMGZ-LLVKDONJSA-N 1 0 297.330 2.257 20 5 CEBDRO CC(C)([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420971787 394460096 /nfs/dbraw/zinc/46/00/96/394460096.db2.gz KVESOFAMQFDUMU-PHIMTYICSA-N 1 0 264.325 2.190 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000421015225 394463385 /nfs/dbraw/zinc/46/33/85/394463385.db2.gz WYDFMNZDBYEAPJ-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO CCOC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000224425105 394466110 /nfs/dbraw/zinc/46/61/10/394466110.db2.gz OTUFZRFUZDVXHC-UHFFFAOYSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187518 394499956 /nfs/dbraw/zinc/49/99/56/394499956.db2.gz FGKHNFHJUZXXPE-UFBFGSQYSA-N 1 0 280.303 2.024 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071311568 394589154 /nfs/dbraw/zinc/58/91/54/394589154.db2.gz NTIKSKWRFRKJFJ-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO CON1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000421402970 394525325 /nfs/dbraw/zinc/52/53/25/394525325.db2.gz WIAMROVVSSAMSH-XQRVVYSFSA-N 1 0 291.351 2.223 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C[NH+](C)C ZINC000308636175 394529663 /nfs/dbraw/zinc/52/96/63/394529663.db2.gz KOKTXLGWFPXJKP-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000049520046 394548735 /nfs/dbraw/zinc/54/87/35/394548735.db2.gz WFIBCPAMTXUWIB-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000261652616 394604973 /nfs/dbraw/zinc/60/49/73/394604973.db2.gz DKAGYBLNIIGIJN-CMPLNLGQSA-N 1 0 281.331 2.151 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000331100619 394627819 /nfs/dbraw/zinc/62/78/19/394627819.db2.gz DAFSYOYSOBLUSE-VWYCJHECSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@H](O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000422115310 394678225 /nfs/dbraw/zinc/67/82/25/394678225.db2.gz BYBDBLKEBHVMNR-OIOXUXFSSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357039715 394690252 /nfs/dbraw/zinc/69/02/52/394690252.db2.gz NPQFPRACXOYFPG-JTQLQIEISA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000422587930 394715184 /nfs/dbraw/zinc/71/51/84/394715184.db2.gz GAUVJAZFWXLJOE-JTQLQIEISA-N 1 0 294.355 2.082 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414856428 394773956 /nfs/dbraw/zinc/77/39/56/394773956.db2.gz ZAYBCMBZRQXYJN-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO Cc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360086321 394789170 /nfs/dbraw/zinc/78/91/70/394789170.db2.gz YLBNAGNMYYVJPD-GHMZBOCLSA-N 1 0 279.315 2.040 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422842216 394824512 /nfs/dbraw/zinc/82/45/12/394824512.db2.gz FKJJWSLNASXVNE-AAEUAGOBSA-N 1 0 291.351 2.021 20 5 CEBDRO COc1cccc(NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000274689004 394799290 /nfs/dbraw/zinc/79/92/90/394799290.db2.gz JIYYGZBPUSACRC-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805631 394808279 /nfs/dbraw/zinc/80/82/79/394808279.db2.gz JQIXTIVECOKMID-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000414949812 394818842 /nfs/dbraw/zinc/81/88/42/394818842.db2.gz GUWGCINAFISUQZ-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO Cc1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415058455 394868803 /nfs/dbraw/zinc/86/88/03/394868803.db2.gz RTIPQWPEOAGLPN-NSHDSACASA-N 1 0 291.273 2.273 20 5 CEBDRO CC(C)C[C@H]([NH3+])CNCc1ccccc1[N+](=O)[O-] ZINC000415084572 394881436 /nfs/dbraw/zinc/88/14/36/394881436.db2.gz OVJIMCDUUIKTKC-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422847927 394826755 /nfs/dbraw/zinc/82/67/55/394826755.db2.gz AESIGOHSGMKERG-DGCLKSJQSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000414969150 394830424 /nfs/dbraw/zinc/83/04/24/394830424.db2.gz JBHRZFUSQOMUAL-CQSZACIVSA-N 1 0 277.368 2.381 20 5 CEBDRO COc1ccc(CN[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414975485 394833673 /nfs/dbraw/zinc/83/36/73/394833673.db2.gz OPLFBZPZWJCKCS-AWEZNQCLSA-N 1 0 293.367 2.081 20 5 CEBDRO Cn1c(Cl)cnc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000281838386 394860094 /nfs/dbraw/zinc/86/00/94/394860094.db2.gz YHIBSTRFHRGITI-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364305392 394893028 /nfs/dbraw/zinc/89/30/28/394893028.db2.gz KOSLHVWQAQCRIL-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131784975 394919495 /nfs/dbraw/zinc/91/94/95/394919495.db2.gz TYGHHZPXJZZGGX-AXFHLTTASA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)[NH3+] ZINC000415302938 394919910 /nfs/dbraw/zinc/91/99/10/394919910.db2.gz UJXKBHJVRXSJKY-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415505836 394939088 /nfs/dbraw/zinc/93/90/88/394939088.db2.gz QWPSXTKIZCAOQM-NSHDSACASA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)[NH3+] ZINC000415583418 394946064 /nfs/dbraw/zinc/94/60/64/394946064.db2.gz QVWRCBUVOAPMKB-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415635227 394950239 /nfs/dbraw/zinc/95/02/39/394950239.db2.gz UDWRRJOCTKCWAP-NSHDSACASA-N 1 0 298.318 2.229 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000286243209 395017784 /nfs/dbraw/zinc/01/77/84/395017784.db2.gz FMMVXOVDPQZMLF-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415765766 394961646 /nfs/dbraw/zinc/96/16/46/394961646.db2.gz RFUISFAUYZYFRZ-UHFFFAOYSA-N 1 0 294.355 2.278 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415770947 394962650 /nfs/dbraw/zinc/96/26/50/394962650.db2.gz ZIIBCMRIBYHPCH-BDAKNGLRSA-N 1 0 280.328 2.014 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135468992 394965847 /nfs/dbraw/zinc/96/58/47/394965847.db2.gz FHIINLMUKPDNPJ-AXFHLTTASA-N 1 0 252.314 2.262 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000285885286 394979134 /nfs/dbraw/zinc/97/91/34/394979134.db2.gz JRGMQFJWKTTZMC-JOYOIKCWSA-N 1 0 282.365 2.445 20 5 CEBDRO COCC(C)(C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000494184793 395098364 /nfs/dbraw/zinc/09/83/64/395098364.db2.gz DTONCQKBCXFADR-UHFFFAOYSA-N 1 0 266.341 2.400 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423960646 395035353 /nfs/dbraw/zinc/03/53/53/395035353.db2.gz SPJQFMSBANDVAC-ZDUSSCGKSA-N 1 0 293.367 2.260 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343479167 395040012 /nfs/dbraw/zinc/04/00/12/395040012.db2.gz QNCBZRRHCYKRIT-JQWIXIFHSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cncc(F)c2)c1 ZINC000494564488 395122735 /nfs/dbraw/zinc/12/27/35/395122735.db2.gz LBIBFBQEACRFSD-UHFFFAOYSA-N 1 0 275.283 2.461 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293279994 395226438 /nfs/dbraw/zinc/22/64/38/395226438.db2.gz CUVVBGGTXVMAJH-GXTWGEPZSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000182172002 395235946 /nfs/dbraw/zinc/23/59/46/395235946.db2.gz JUIZEKVDIBNVHK-NEPJUHHUSA-N 1 0 296.367 2.359 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000437851528 395200731 /nfs/dbraw/zinc/20/07/31/395200731.db2.gz SQOKDJWNVAGKAP-CQSZACIVSA-N 1 0 286.335 2.108 20 5 CEBDRO COc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292699812 395203229 /nfs/dbraw/zinc/20/32/29/395203229.db2.gz FZNHKMLYDGHJAW-AOOOYVTPSA-N 1 0 297.330 2.271 20 5 CEBDRO Cc1cc(N(C)CC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420272335 395287505 /nfs/dbraw/zinc/28/75/05/395287505.db2.gz CFIMDMAQSAGNRQ-UHFFFAOYSA-N 1 0 277.246 2.317 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439292352 395258052 /nfs/dbraw/zinc/25/80/52/395258052.db2.gz GFOKVXRXKYJDQW-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000192498285 395385403 /nfs/dbraw/zinc/38/54/03/395385403.db2.gz FNJGTPSSTWFTDL-NSHDSACASA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([NH+](CC)CC)C1 ZINC000192636044 395388533 /nfs/dbraw/zinc/38/85/33/395388533.db2.gz RWSSTDWWJLCALG-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420633302 395394090 /nfs/dbraw/zinc/39/40/90/395394090.db2.gz ISEYPZXQANFUMD-ZDUSSCGKSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420327697 395329912 /nfs/dbraw/zinc/32/99/12/395329912.db2.gz DOUUTLKYGURQOQ-CHWSQXEVSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189633334 395331157 /nfs/dbraw/zinc/33/11/57/395331157.db2.gz DDBKLZYYJBOCCQ-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000420360000 395346858 /nfs/dbraw/zinc/34/68/58/395346858.db2.gz GOUBAAZPZFQRCW-LNLATYFQSA-N 1 0 269.370 2.132 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCCO)n1 ZINC000448022972 395507962 /nfs/dbraw/zinc/50/79/62/395507962.db2.gz QVMDECXNRHWBPB-CHWSQXEVSA-N 1 0 296.371 2.027 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCCO)n1 ZINC000448022975 395507976 /nfs/dbraw/zinc/50/79/76/395507976.db2.gz QVMDECXNRHWBPB-STQMWFEESA-N 1 0 296.371 2.027 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000567898425 395540416 /nfs/dbraw/zinc/54/04/16/395540416.db2.gz POAVZAPJGWPUDR-CMPLNLGQSA-N 1 0 250.298 2.170 20 5 CEBDRO CCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000573111714 395600408 /nfs/dbraw/zinc/60/04/08/395600408.db2.gz ZAAIUFXMHAJHQD-GFCCVEGCSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451262252 395600595 /nfs/dbraw/zinc/60/05/95/395600595.db2.gz XCHUFIXYGRUEGN-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000451361727 395610308 /nfs/dbraw/zinc/61/03/08/395610308.db2.gz NWBCTKAPSOOQMM-NSHDSACASA-N 1 0 282.340 2.065 20 5 CEBDRO [NH3+]CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000568382494 395556897 /nfs/dbraw/zinc/55/68/97/395556897.db2.gz WSBARTBXQWYQHZ-UHFFFAOYSA-N 1 0 289.335 2.003 20 5 CEBDRO CC(C)Oc1nc(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000568663751 395566160 /nfs/dbraw/zinc/56/61/60/395566160.db2.gz HAFWMLWGPUJEBK-UHFFFAOYSA-N 1 0 296.371 2.165 20 5 CEBDRO Cc1ccc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375044156 292139015 /nfs/dbraw/zinc/13/90/15/292139015.db2.gz XYKVZYYKXBRJAL-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135237795 400280359 /nfs/dbraw/zinc/28/03/59/400280359.db2.gz HOULLQTUYDXEGR-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000195343148 153287168 /nfs/dbraw/zinc/28/71/68/153287168.db2.gz NEZJIJDFXGJRGT-UHFFFAOYSA-N 1 0 293.371 2.158 20 5 CEBDRO Cc1ccc(C[NH2+]CCOCC2CC2)cc1[N+](=O)[O-] ZINC000224527129 153319425 /nfs/dbraw/zinc/31/94/25/153319425.db2.gz ZOAORFWUGGLBGC-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000226771953 153338832 /nfs/dbraw/zinc/33/88/32/153338832.db2.gz GGMDLPQXEDGMSU-MRVPVSSYSA-N 1 0 258.347 2.194 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230151791 153381763 /nfs/dbraw/zinc/38/17/63/153381763.db2.gz BQEDCEQKEIEFBR-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315894 153388840 /nfs/dbraw/zinc/38/88/40/153388840.db2.gz GYPPYWURVIBLIC-DOMZBBRYSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000230667232 153398867 /nfs/dbraw/zinc/39/88/67/153398867.db2.gz AMUXYIREFOYAQD-MWLCHTKSSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000248577161 153645237 /nfs/dbraw/zinc/64/52/37/153645237.db2.gz UDYUIQQWFIMOHQ-GRYCIOLGSA-N 1 0 266.345 2.206 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000261884293 153865488 /nfs/dbraw/zinc/86/54/88/153865488.db2.gz WSKFUOJMDYOYOO-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000352776817 154338643 /nfs/dbraw/zinc/33/86/43/154338643.db2.gz DRMSYSIADTXROS-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367452364 156185977 /nfs/dbraw/zinc/18/59/77/156185977.db2.gz UGUZMIIIFORZOP-AWEZNQCLSA-N 1 0 262.309 2.350 20 5 CEBDRO CC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254989840 162533322 /nfs/dbraw/zinc/53/33/22/162533322.db2.gz QDSBEGWZVSQJKT-QPBFKRLHSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302181411 162574818 /nfs/dbraw/zinc/57/48/18/162574818.db2.gz ZRBUNKUEYAYATH-UTUOFQBUSA-N 1 0 293.371 2.163 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170746184 165040387 /nfs/dbraw/zinc/04/03/87/165040387.db2.gz XSDCWIZMUAMYDV-CQSZACIVSA-N 1 0 275.352 2.265 20 5 CEBDRO CCS[C@@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176240353 165158635 /nfs/dbraw/zinc/15/86/35/165158635.db2.gz CXSVXSVQSFMICQ-GFCCVEGCSA-N 1 0 298.412 2.399 20 5 CEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000246177321 165478190 /nfs/dbraw/zinc/47/81/90/165478190.db2.gz GSUGUNHJPYRUPL-LALPHHSUSA-N 1 0 294.351 2.439 20 5 CEBDRO O=[N+]([O-])c1cccc(CNCCC[NH+]2CCCC2)c1 ZINC000020129165 171016809 /nfs/dbraw/zinc/01/68/09/171016809.db2.gz HYFCGQBKIHRGMP-UHFFFAOYSA-N 1 0 263.341 2.170 20 5 CEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1F ZINC000020474738 171218515 /nfs/dbraw/zinc/21/85/15/171218515.db2.gz LURDITLELIHADK-UHFFFAOYSA-N 1 0 255.293 2.488 20 5 CEBDRO COC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368082 172159754 /nfs/dbraw/zinc/15/97/54/172159754.db2.gz OIWSOTPXFGKJOZ-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285163355 196211278 /nfs/dbraw/zinc/21/12/78/196211278.db2.gz AQAVAMZFIPBJNO-UHFFFAOYSA-N 1 0 250.298 2.048 20 5 CEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCOC1=O ZINC000285389238 196269735 /nfs/dbraw/zinc/26/97/35/196269735.db2.gz SHWHQVOBKYGZJU-ZDUSSCGKSA-N 1 0 292.335 2.022 20 5 CEBDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037249545 173062461 /nfs/dbraw/zinc/06/24/61/173062461.db2.gz GVSHKOXOOBJWHK-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000038046033 174054516 /nfs/dbraw/zinc/05/45/16/174054516.db2.gz XBDVXHSFLMVXJX-GFCCVEGCSA-N 1 0 280.324 2.120 20 5 CEBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071314865 176121333 /nfs/dbraw/zinc/12/13/33/176121333.db2.gz ZAAXMZGNRKQORA-NSHDSACASA-N 1 0 269.370 2.230 20 5 CEBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000071315429 176121655 /nfs/dbraw/zinc/12/16/55/176121655.db2.gz XVXXSODBKOZIEU-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](O)CC1 ZINC000449208348 260294793 /nfs/dbraw/zinc/29/47/93/260294793.db2.gz DGCBARJSJRMFHU-UBHSHLNASA-N 1 0 278.352 2.419 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312125376 270333435 /nfs/dbraw/zinc/33/34/35/270333435.db2.gz YXTVHVLHKZBWSP-MWLCHTKSSA-N 1 0 267.304 2.216 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424325409 271045883 /nfs/dbraw/zinc/04/58/83/271045883.db2.gz KRWRETXMWPTZQA-UFGOTCBOSA-N 1 0 280.324 2.167 20 5 CEBDRO CCC1(CC)[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1OC ZINC000429292464 271319761 /nfs/dbraw/zinc/31/97/61/271319761.db2.gz XJAXRPRZUAQUCR-NEPJUHHUSA-N 1 0 296.371 2.012 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCOCC1 ZINC000430201613 271361642 /nfs/dbraw/zinc/36/16/42/271361642.db2.gz DMPWYDILBQPYHK-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573172 271393019 /nfs/dbraw/zinc/39/30/19/271393019.db2.gz QADHWBARZKCGQX-WDEREUQCSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588357 271396772 /nfs/dbraw/zinc/39/67/72/271396772.db2.gz DLDLWHZSYUZFDV-QWHCGFSZSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433114492 271523232 /nfs/dbraw/zinc/52/32/32/271523232.db2.gz HAQKUXNIFYYDGG-AAEUAGOBSA-N 1 0 293.367 2.311 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162617031 273637810 /nfs/dbraw/zinc/63/78/10/273637810.db2.gz ZTTAHMMPQNENCM-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352368868 275034290 /nfs/dbraw/zinc/03/42/90/275034290.db2.gz WIHPETYIKBTPDI-GFCCVEGCSA-N 1 0 298.346 2.214 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107407 276287891 /nfs/dbraw/zinc/28/78/91/276287891.db2.gz KXDJSCFDUVNUBQ-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000226439087 278373762 /nfs/dbraw/zinc/37/37/62/278373762.db2.gz BRHSFPZLXXZJCQ-GIPNMCIBSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882663 279270035 /nfs/dbraw/zinc/27/00/35/279270035.db2.gz DAXYOUAAQQMCTI-QMTHXVAHSA-N 1 0 264.325 2.333 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000238004924 279687136 /nfs/dbraw/zinc/68/71/36/279687136.db2.gz UOHREJPLRRVNFZ-NEPJUHHUSA-N 1 0 289.335 2.001 20 5 CEBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344323864 280106749 /nfs/dbraw/zinc/10/67/49/280106749.db2.gz JVYHUDQVGPBXKK-FZMZJTMJSA-N 1 0 263.341 2.167 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185829936 280126998 /nfs/dbraw/zinc/12/69/98/280126998.db2.gz RZOSOWWOXLIAKX-QAVQXKDTSA-N 1 0 250.298 2.012 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219803230 280211346 /nfs/dbraw/zinc/21/13/46/280211346.db2.gz OFADCJKDKPLMHC-GXFFZTMASA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000246536112 280299947 /nfs/dbraw/zinc/29/99/47/280299947.db2.gz CSFMECSNLRBXSE-NEPJUHHUSA-N 1 0 266.345 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nccs2)cc1 ZINC000060390891 280364320 /nfs/dbraw/zinc/36/43/20/280364320.db2.gz HIYPPBUWPVJJKL-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO Cc1cc(N2CC[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228485418 280572909 /nfs/dbraw/zinc/57/29/09/280572909.db2.gz VCFZNTXLHCICKU-NSHDSACASA-N 1 0 287.319 2.270 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422571918 280922955 /nfs/dbraw/zinc/92/29/55/280922955.db2.gz ITWFXCJYXQYYFC-UHFFFAOYSA-N 1 0 280.328 2.152 20 5 CEBDRO C[NH2+]CCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423721085 281082866 /nfs/dbraw/zinc/08/28/66/281082866.db2.gz IJRMUQODTZQGQY-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272459 289051424 /nfs/dbraw/zinc/05/14/24/289051424.db2.gz ZAXXZKSBQOOHOJ-AAEUAGOBSA-N 1 0 275.352 2.310 20 5 CEBDRO CCSCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000158320623 289231819 /nfs/dbraw/zinc/23/18/19/289231819.db2.gz ZMHSHFCPUQFFTI-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO CC(C)[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487080542 290331037 /nfs/dbraw/zinc/33/10/37/290331037.db2.gz SVFXONNILPTSPT-GFCCVEGCSA-N 1 0 298.774 2.420 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000487663428 290358052 /nfs/dbraw/zinc/35/80/52/290358052.db2.gz HMLYIQJAKOTHJZ-JQWIXIFHSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515074749 297564679 /nfs/dbraw/zinc/56/46/79/297564679.db2.gz ZOSOROQNDZPVAM-MFKMUULPSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539071189 298244695 /nfs/dbraw/zinc/24/46/95/298244695.db2.gz GSEXPOFVVVAFKJ-JTQLQIEISA-N 1 0 290.323 2.488 20 5 CEBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000541596404 298281814 /nfs/dbraw/zinc/28/18/14/298281814.db2.gz XDLLTOYEGZAJPZ-LBPRGKRZSA-N 1 0 282.340 2.234 20 5 CEBDRO COc1cc(C[N@H+](C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000546637078 298354549 /nfs/dbraw/zinc/35/45/49/298354549.db2.gz IMHWHRZBAKVKQQ-UHFFFAOYSA-N 1 0 298.314 2.353 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097259 298393927 /nfs/dbraw/zinc/39/39/27/298393927.db2.gz PGQBHSBFIOCLCV-PHIMTYICSA-N 1 0 277.324 2.406 20 5 CEBDRO CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000563709281 298796142 /nfs/dbraw/zinc/79/61/42/298796142.db2.gz RZGVGBJZALOPOO-UHFFFAOYSA-N 1 0 277.324 2.313 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ncccn1)C1CC1 ZINC000566688978 299015562 /nfs/dbraw/zinc/01/55/62/299015562.db2.gz HCNWOMLFOHYVMJ-CQSZACIVSA-N 1 0 298.346 2.496 20 5 CEBDRO CCN(CCC[NH+](C)C)c1c(OC)cccc1[N+](=O)[O-] ZINC000569709036 314012182 /nfs/dbraw/zinc/01/21/82/314012182.db2.gz YLZSVRCXQIZMNB-UHFFFAOYSA-N 1 0 281.356 2.381 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000576731506 314306014 /nfs/dbraw/zinc/30/60/14/314306014.db2.gz FPBJCDQUQNRWSZ-UHFFFAOYSA-N 1 0 261.325 2.175 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc([N+](=O)[O-])c1 ZINC000389707262 321892046 /nfs/dbraw/zinc/89/20/46/321892046.db2.gz LTOWVIFMFVXLEA-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCO ZINC000562338917 327472461 /nfs/dbraw/zinc/47/24/61/327472461.db2.gz QDYYWNIZHUDZAB-NSHDSACASA-N 1 0 252.314 2.326 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174808749 533872014 /nfs/dbraw/zinc/87/20/14/533872014.db2.gz RNTDPNBBAKPMDT-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000414496087 533900211 /nfs/dbraw/zinc/90/02/11/533900211.db2.gz CTIOKGNYURRSHL-WPRPVWTQSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000414718183 533912985 /nfs/dbraw/zinc/91/29/85/533912985.db2.gz YTHMRWKVYNAYFX-SECBINFHSA-N 1 0 280.328 2.152 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000096478934 534055699 /nfs/dbraw/zinc/05/56/99/534055699.db2.gz HIULFKGAYMPSJG-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412029941 534578291 /nfs/dbraw/zinc/57/82/91/534578291.db2.gz OTHGVYQIOJMWIA-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000357361414 534609081 /nfs/dbraw/zinc/60/90/81/534609081.db2.gz JZKONZDKXMRQNU-UHFFFAOYSA-N 1 0 295.339 2.169 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205604 524021144 /nfs/dbraw/zinc/02/11/44/524021144.db2.gz RDWXOQCLMOHPGZ-VXGBXAGGSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050162399 524141723 /nfs/dbraw/zinc/14/17/23/524141723.db2.gz BVRWGEDDGHABHI-DGCLKSJQSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]1[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)CCC[C@@H]1C ZINC000162961006 525111321 /nfs/dbraw/zinc/11/13/21/525111321.db2.gz UDYUIQQWFIMOHQ-QJPTWQEYSA-N 1 0 266.345 2.206 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000062726291 525367864 /nfs/dbraw/zinc/36/78/64/525367864.db2.gz VLXNLOLUCRENBD-FZMZJTMJSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000052885371 527386319 /nfs/dbraw/zinc/38/63/19/527386319.db2.gz HTQFBAXZDNABIT-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000133758033 529106114 /nfs/dbraw/zinc/10/61/14/529106114.db2.gz VSOGOMSEBUTNHL-NSHDSACASA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761079384 574518532 /nfs/dbraw/zinc/51/85/32/574518532.db2.gz QSTIKJDZPZMIHY-RYUDHWBXSA-N 1 0 263.341 2.292 20 5 CEBDRO Cc1ncccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731677988 574601288 /nfs/dbraw/zinc/60/12/88/574601288.db2.gz DMQUCQMEIIHEFF-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000732893310 574634984 /nfs/dbraw/zinc/63/49/84/574634984.db2.gz CYCDFKAULHHJPX-UHFFFAOYSA-N 1 0 291.307 2.185 20 5 CEBDRO C[C@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748820319 575198160 /nfs/dbraw/zinc/19/81/60/575198160.db2.gz VILBSQQUXIQROT-SECBINFHSA-N 1 0 295.730 2.018 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261551999 623330773 /nfs/dbraw/zinc/33/07/73/623330773.db2.gz ZLAICSLWOWYTLY-LDYMZIIASA-N 1 0 269.732 2.027 20 5 CEBDRO CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000093633651 623679608 /nfs/dbraw/zinc/67/96/08/623679608.db2.gz HYAHUTPNGUTVEK-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCCC1 ZINC000891558528 623785970 /nfs/dbraw/zinc/78/59/70/623785970.db2.gz NROWZUWSCGWLPZ-UHFFFAOYSA-N 1 0 295.387 2.395 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000235818362 625757746 /nfs/dbraw/zinc/75/77/46/625757746.db2.gz NCDOCMCIYLAPEK-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000892875956 627826033 /nfs/dbraw/zinc/82/60/33/627826033.db2.gz LKLUBMCKFZEYPC-NXEZZACHSA-N 1 0 292.339 2.036 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000198148576 628569605 /nfs/dbraw/zinc/56/96/05/628569605.db2.gz BLXBCCFVERALFZ-GFCCVEGCSA-N 1 0 291.351 2.432 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000313010273 628575684 /nfs/dbraw/zinc/57/56/84/628575684.db2.gz ACXDONUPVJEQHU-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000841693786 628923911 /nfs/dbraw/zinc/92/39/11/628923911.db2.gz VMRSJMFIABNIRV-IQJOONFLSA-N 1 0 252.318 2.034 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893938747 629053915 /nfs/dbraw/zinc/05/39/15/629053915.db2.gz FQDNAAOOQSFWNG-BXUZGUMPSA-N 1 0 261.325 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000893941108 629055707 /nfs/dbraw/zinc/05/57/07/629055707.db2.gz QRQSEHZZWOEZFL-FZMZJTMJSA-N 1 0 261.325 2.044 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894087847 629118747 /nfs/dbraw/zinc/11/87/47/629118747.db2.gz OJKNDGBKIDLOTQ-FGWVZKOKSA-N 1 0 292.339 2.036 20 5 CEBDRO O=C1CC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000821402228 634712498 /nfs/dbraw/zinc/71/24/98/634712498.db2.gz OKDXMPMYAPWVPK-CQSZACIVSA-N 1 0 290.319 2.265 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC2(C[NH3+])CC2)n1 ZINC000841826982 629165598 /nfs/dbraw/zinc/16/55/98/629165598.db2.gz IXSHWSGYAJRCCY-UHFFFAOYSA-N 1 0 288.307 2.235 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261783487 629221008 /nfs/dbraw/zinc/22/10/08/629221008.db2.gz UDWOUTXDKYUWOG-LBPRGKRZSA-N 1 0 292.339 2.104 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633628 629251213 /nfs/dbraw/zinc/25/12/13/629251213.db2.gz SRIYVFUKLNOPPP-JTQLQIEISA-N 1 0 283.759 2.419 20 5 CEBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000895058438 629831862 /nfs/dbraw/zinc/83/18/62/629831862.db2.gz LGDPSUHDAZLYHC-SNVBAGLBSA-N 1 0 267.304 2.312 20 5 CEBDRO Cc1c(C[NH2+]C(C)(C)CCO)cccc1[N+](=O)[O-] ZINC000142126422 629981039 /nfs/dbraw/zinc/98/10/39/629981039.db2.gz WEOQNUGTQLNRGR-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000895734959 630324972 /nfs/dbraw/zinc/32/49/72/630324972.db2.gz BGPVCLBBWBRRSA-PWSUYJOCSA-N 1 0 290.367 2.373 20 5 CEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799371443 631021052 /nfs/dbraw/zinc/02/10/52/631021052.db2.gz CAMLPUXIDIMUDS-KKUMJFAQSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H](C[NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461741 631532283 /nfs/dbraw/zinc/53/22/83/631532283.db2.gz WURPFAFGHQCJPQ-QJPTWQEYSA-N 1 0 264.325 2.465 20 5 CEBDRO C[C@H](C[NH2+]C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466103 631532750 /nfs/dbraw/zinc/53/27/50/631532750.db2.gz NWZBYDHSLHCWOU-GFCCVEGCSA-N 1 0 277.368 2.382 20 5 CEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000804352193 631668995 /nfs/dbraw/zinc/66/89/95/631668995.db2.gz JCAAHVSTAOWUAQ-UHFFFAOYSA-N 1 0 294.311 2.401 20 5 CEBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000804358939 631669973 /nfs/dbraw/zinc/66/99/73/631669973.db2.gz BXFRZFNQXMGDBF-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804379380 631673113 /nfs/dbraw/zinc/67/31/13/631673113.db2.gz LNSVMFAAADOVMU-SNVBAGLBSA-N 1 0 294.311 2.398 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000804426547 631680530 /nfs/dbraw/zinc/68/05/30/631680530.db2.gz BKZVJSQINUQTQE-VIFPVBQESA-N 1 0 294.311 2.398 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000925315492 631834975 /nfs/dbraw/zinc/83/49/75/631834975.db2.gz YDIBDHDZDLVBHX-SNVBAGLBSA-N 1 0 252.314 2.091 20 5 CEBDRO Cn1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000808403642 631957983 /nfs/dbraw/zinc/95/79/83/631957983.db2.gz PGZDKFVFHSJAAZ-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO [NH3+]CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000809735201 632134162 /nfs/dbraw/zinc/13/41/62/632134162.db2.gz UXZYGRAYVYLQDZ-UHFFFAOYSA-N 1 0 261.281 2.153 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCC[NH3+] ZINC000826651773 635802576 /nfs/dbraw/zinc/80/25/76/635802576.db2.gz DLMASKGQNYXUMV-UHFFFAOYSA-N 1 0 299.758 2.336 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064696 632383594 /nfs/dbraw/zinc/38/35/94/632383594.db2.gz TVDSJLSMUUCZGT-BXKDBHETSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526776 632401720 /nfs/dbraw/zinc/40/17/20/632401720.db2.gz XBVIKJGPUVXMBU-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@@H](NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000899266376 632763793 /nfs/dbraw/zinc/76/37/93/632763793.db2.gz ABZJBYORTKTCSC-SNVBAGLBSA-N 1 0 276.340 2.050 20 5 CEBDRO Cc1cn(C(C)(C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000899911124 633097133 /nfs/dbraw/zinc/09/71/33/633097133.db2.gz OCSSYQHFGAVREJ-UHFFFAOYSA-N 1 0 288.307 2.474 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817131527 633590437 /nfs/dbraw/zinc/59/04/37/633590437.db2.gz CCWCXFAOYLYLCW-AWEZNQCLSA-N 1 0 293.367 2.272 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccco2)c1 ZINC000818942856 634011251 /nfs/dbraw/zinc/01/12/51/634011251.db2.gz PTCWUWUCQRHNMT-CQSZACIVSA-N 1 0 276.292 2.054 20 5 CEBDRO Cc1occc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818969810 634021102 /nfs/dbraw/zinc/02/11/02/634021102.db2.gz IUWKTDNHXVRYIW-AWEZNQCLSA-N 1 0 276.292 2.319 20 5 CEBDRO CC(C)=CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819261499 634120047 /nfs/dbraw/zinc/12/00/47/634120047.db2.gz LDXCDXJWRQNKEY-CYBMUJFWSA-N 1 0 250.298 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000819271115 634122815 /nfs/dbraw/zinc/12/28/15/634122815.db2.gz NTCWZKLGBVFCTO-XJFOESAGSA-N 1 0 262.309 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000819356913 634152696 /nfs/dbraw/zinc/15/26/96/634152696.db2.gz ITCITQSKMCICSR-QEJZJMRPSA-N 1 0 276.336 2.264 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000819371365 634159971 /nfs/dbraw/zinc/15/99/71/634159971.db2.gz JCOCAIXJQPCYAH-NDPMZMCLSA-N 1 0 294.351 2.031 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000819371622 634160390 /nfs/dbraw/zinc/16/03/90/634160390.db2.gz MIWOWUUUYVCPOT-NLRBGTRBSA-N 1 0 294.351 2.031 20 5 CEBDRO CO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000819376526 634161899 /nfs/dbraw/zinc/16/18/99/634161899.db2.gz ZFCLDWMCSNSDTQ-LSDHHAIUSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)[NH+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000822238135 634872515 /nfs/dbraw/zinc/87/25/15/634872515.db2.gz UEMARLFAHBHRRX-UHFFFAOYSA-N 1 0 287.404 2.057 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)cc1 ZINC000822644082 634961485 /nfs/dbraw/zinc/96/14/85/634961485.db2.gz MSGBGLJZRUAXCB-BXUZGUMPSA-N 1 0 286.291 2.112 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903261476 635034059 /nfs/dbraw/zinc/03/40/59/635034059.db2.gz XEKLQWSKLJNWRI-RJIBLYRGSA-N 1 0 291.351 2.395 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000903261448 635034358 /nfs/dbraw/zinc/03/43/58/635034358.db2.gz WOUUNUSSFJBJRC-ZBOXLXRLSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823070109 635059461 /nfs/dbraw/zinc/05/94/61/635059461.db2.gz ZGXBYEONGSGBJK-BQBZGAKWSA-N 1 0 280.309 2.172 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)s1 ZINC000823070116 635059705 /nfs/dbraw/zinc/05/97/05/635059705.db2.gz ZJSOOGKTGATZLW-QYNIQEEDSA-N 1 0 278.293 2.129 20 5 CEBDRO CN1CC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903315900 635063044 /nfs/dbraw/zinc/06/30/44/635063044.db2.gz AFBKDWYZHUFAOM-DZGCQCFKSA-N 1 0 275.352 2.266 20 5 CEBDRO Cc1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000823270704 635119859 /nfs/dbraw/zinc/11/98/59/635119859.db2.gz USEFAJZABSLZFM-FXAINCCUSA-N 1 0 286.291 2.376 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000903796837 635274387 /nfs/dbraw/zinc/27/43/87/635274387.db2.gz ZBVSEIKBMTWIED-HIFRSBDPSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000903796479 635274500 /nfs/dbraw/zinc/27/45/00/635274500.db2.gz WBUGRXFNRLOROV-ZFWWWQNUSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903856409 635308053 /nfs/dbraw/zinc/30/80/53/635308053.db2.gz RGHGMTADCKMJGB-SMDDNHRTSA-N 1 0 279.315 2.047 20 5 CEBDRO COc1ccccc1SC[C@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905097084 635830362 /nfs/dbraw/zinc/83/03/62/635830362.db2.gz LBOIVCIMHHQRQS-LLVKDONJSA-N 1 0 284.381 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCC2)cc1Cl ZINC000826867340 635865832 /nfs/dbraw/zinc/86/58/32/635865832.db2.gz ITFVVMKQIHYSCJ-GFCCVEGCSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000905274219 636201566 /nfs/dbraw/zinc/20/15/66/636201566.db2.gz NWLGHOFIYFRTIM-LBPRGKRZSA-N 1 0 256.252 2.209 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C=CCC2)c1 ZINC000905409063 636261709 /nfs/dbraw/zinc/26/17/09/636261709.db2.gz FJNHJSABVVIWPB-SMDDNHRTSA-N 1 0 262.309 2.184 20 5 CEBDRO CC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905643932 636379544 /nfs/dbraw/zinc/37/95/44/636379544.db2.gz OPFWVPSEVCFHKS-MNOVXSKESA-N 1 0 252.314 2.059 20 5 CEBDRO C[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905974046 636543650 /nfs/dbraw/zinc/54/36/50/636543650.db2.gz JNFRWOBRVWJXCA-SNVBAGLBSA-N 1 0 263.297 2.018 20 5 CEBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000876501570 650292305 /nfs/dbraw/zinc/29/23/05/650292305.db2.gz QEBBHACUDZAWBZ-UHFFFAOYSA-N 1 0 299.330 2.311 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000876509683 650296166 /nfs/dbraw/zinc/29/61/66/650296166.db2.gz GJJSPHPEKXNFLB-CYBMUJFWSA-N 1 0 278.352 2.416 20 5 CEBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876517691 650299788 /nfs/dbraw/zinc/29/97/88/650299788.db2.gz ZZWBWVNGOMSPHP-NSHDSACASA-N 1 0 299.330 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876545033 650316573 /nfs/dbraw/zinc/31/65/73/650316573.db2.gz FVCRTIUEPLNPCY-HOSRBBHYSA-N 1 0 289.335 2.398 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832170834 637512193 /nfs/dbraw/zinc/51/21/93/637512193.db2.gz WJJNAFDNDALUEO-LBPRGKRZSA-N 1 0 287.404 2.059 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000876690011 650401876 /nfs/dbraw/zinc/40/18/76/650401876.db2.gz DZLLQEJMSNRBLQ-LBPRGKRZSA-N 1 0 264.325 2.432 20 5 CEBDRO Cc1ccc(COC(=O)[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000835479037 638273822 /nfs/dbraw/zinc/27/38/22/638273822.db2.gz FRCYAFCDDYAVPU-CYBMUJFWSA-N 1 0 292.335 2.431 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876798773 650437747 /nfs/dbraw/zinc/43/77/47/650437747.db2.gz NYOZSBSCTKVTIY-NSHDSACASA-N 1 0 293.367 2.026 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3F)C2)c1 ZINC000876890486 650475756 /nfs/dbraw/zinc/47/57/56/650475756.db2.gz AJADVTGJORBIHE-UHFFFAOYSA-N 1 0 290.298 2.424 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000102885733 639357842 /nfs/dbraw/zinc/35/78/42/639357842.db2.gz TYDUWEFFFXUOED-LBPRGKRZSA-N 1 0 250.302 2.013 20 5 CEBDRO [NH3+]C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841028061 639621169 /nfs/dbraw/zinc/62/11/69/639621169.db2.gz KQLOPVMQRDUWSV-GFCCVEGCSA-N 1 0 269.732 2.075 20 5 CEBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000876968888 650511724 /nfs/dbraw/zinc/51/17/24/650511724.db2.gz UUMUVECKELULAG-GCVQQVDUSA-N 1 0 264.329 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[NH2+]C1 ZINC000841033819 639626262 /nfs/dbraw/zinc/62/62/62/639626262.db2.gz ZRVORHJRDKSERX-SNVBAGLBSA-N 1 0 283.759 2.337 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228372567 639632691 /nfs/dbraw/zinc/63/26/91/639632691.db2.gz HGQMNHCTRMFXLW-GXFFZTMASA-N 1 0 284.381 2.105 20 5 CEBDRO [NH3+]C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000841050529 639632943 /nfs/dbraw/zinc/63/29/43/639632943.db2.gz IHOUVAMCFFBKQD-UHFFFAOYSA-N 1 0 269.732 2.219 20 5 CEBDRO C[C@@H](CC[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841051918 639633550 /nfs/dbraw/zinc/63/35/50/639633550.db2.gz RQWNCPBAXURLPX-QMMMGPOBSA-N 1 0 257.721 2.075 20 5 CEBDRO Cc1cnccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228668322 639651928 /nfs/dbraw/zinc/65/19/28/639651928.db2.gz KCJWTBBISUIBPK-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@]([NH3+])(C(=O)NC1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000876978315 650516311 /nfs/dbraw/zinc/51/63/11/650516311.db2.gz JNDOHGXFPJQPAS-OAHLLOKOSA-N 1 0 291.351 2.074 20 5 CEBDRO CN(CCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103240 639678406 /nfs/dbraw/zinc/67/84/06/639678406.db2.gz OLJNDMZEOXHJBN-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO Cn1nccc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231033410 639822042 /nfs/dbraw/zinc/82/20/42/639822042.db2.gz WDXOBHJCRJQTBO-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000172964685 639833671 /nfs/dbraw/zinc/83/36/71/639833671.db2.gz SQSQOXDCXHWFOT-UHFFFAOYSA-N 1 0 287.323 2.295 20 5 CEBDRO C[NH2+]C[C@H](C)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000842578132 640106402 /nfs/dbraw/zinc/10/64/02/640106402.db2.gz URHSXFZRKDOCOU-NVDWLVSRSA-N 1 0 288.307 2.471 20 5 CEBDRO [NH3+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044183 640249929 /nfs/dbraw/zinc/24/99/29/640249929.db2.gz WXCGKRCCEGQDES-JTQLQIEISA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000843049396 640253923 /nfs/dbraw/zinc/25/39/23/640253923.db2.gz MWGXPYHMIPALKU-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084191 640274293 /nfs/dbraw/zinc/27/42/93/640274293.db2.gz VUECUXMJOCKUPO-KGLIPLIRSA-N 1 0 296.367 2.015 20 5 CEBDRO CCC[C@@H](CCO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843099613 640279953 /nfs/dbraw/zinc/27/99/53/640279953.db2.gz QUBSXMNHFRESDU-SWLSCSKDSA-N 1 0 296.367 2.017 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843100053 640280786 /nfs/dbraw/zinc/28/07/86/640280786.db2.gz SSSRNRKGMDTCSY-UXIGCNINSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000843125835 640291765 /nfs/dbraw/zinc/29/17/65/640291765.db2.gz ANMVHTJURBQHKR-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843129539 640296334 /nfs/dbraw/zinc/29/63/34/640296334.db2.gz PMSLEGRGRQZCTB-RKDXNWHRSA-N 1 0 271.748 2.464 20 5 CEBDRO CC(C)c1[nH]nc(-c2nc([C@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843151301 640310039 /nfs/dbraw/zinc/31/00/39/640310039.db2.gz XQLXRHVBXKGHED-SSDOTTSWSA-N 1 0 294.315 2.147 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000843188122 640339777 /nfs/dbraw/zinc/33/97/77/640339777.db2.gz YSTAAHYRLICUIG-ZDUSSCGKSA-N 1 0 292.270 2.111 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382405 640412009 /nfs/dbraw/zinc/41/20/09/640412009.db2.gz OSXSZOVMEHTQOD-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877109205 650576837 /nfs/dbraw/zinc/57/68/37/650576837.db2.gz CCFFSZWTQPUZOB-ZUZCIYMTSA-N 1 0 299.330 2.228 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc[nH]1 ZINC000877125025 650583243 /nfs/dbraw/zinc/58/32/43/650583243.db2.gz UEURUVAIAZNURJ-WHXUTIOJSA-N 1 0 275.312 2.174 20 5 CEBDRO C[C@H]1CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000877126359 650585067 /nfs/dbraw/zinc/58/50/67/650585067.db2.gz IXOMNNQVQHTZHW-WPMGSTCASA-N 1 0 294.355 2.040 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844384918 640701849 /nfs/dbraw/zinc/70/18/49/640701849.db2.gz GMODLCJATGOZFK-UHFFFAOYSA-N 1 0 298.726 2.434 20 5 CEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000174846354 640897408 /nfs/dbraw/zinc/89/74/08/640897408.db2.gz VVLXQSSTUFRGDG-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO C[C@@H]1[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000845812833 641098662 /nfs/dbraw/zinc/09/86/62/641098662.db2.gz CYSXNQFXQGUGPG-PWSUYJOCSA-N 1 0 278.308 2.092 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000921054767 641223792 /nfs/dbraw/zinc/22/37/92/641223792.db2.gz CAAWAIWMCQXXLM-LLVKDONJSA-N 1 0 291.355 2.385 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000877402139 650707645 /nfs/dbraw/zinc/70/76/45/650707645.db2.gz YVLHDEZUJKQJGE-UHFFFAOYSA-N 1 0 292.335 2.336 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000849330805 642333235 /nfs/dbraw/zinc/33/32/35/642333235.db2.gz CORXINHXMSCOSU-DFBGVHRSSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3(F)CCC3)C2)c1 ZINC000877531986 650771933 /nfs/dbraw/zinc/77/19/33/650771933.db2.gz ASXRYUXVYPKSHS-UHFFFAOYSA-N 1 0 282.319 2.367 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899164 643214928 /nfs/dbraw/zinc/21/49/28/643214928.db2.gz YSICFBZSHPIUPP-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1COC(C)(C)O1 ZINC000852039619 643274138 /nfs/dbraw/zinc/27/41/38/643274138.db2.gz WRMWCFQBWWANLU-CYBMUJFWSA-N 1 0 294.351 2.221 20 5 CEBDRO COC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000852571637 643478265 /nfs/dbraw/zinc/47/82/65/643478265.db2.gz ZDDACGKICABCFN-UHFFFAOYSA-N 1 0 295.339 2.033 20 5 CEBDRO [NH3+]CC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000923552540 643758918 /nfs/dbraw/zinc/75/89/18/643758918.db2.gz CTDQDMWDVHTQAS-GFCCVEGCSA-N 1 0 298.346 2.442 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@H+](CCC1CC1)CC1CC1 ZINC000853606036 643831060 /nfs/dbraw/zinc/83/10/60/643831060.db2.gz JRNPTSODLAVBFX-UHFFFAOYSA-N 1 0 264.329 2.261 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000853905518 643939734 /nfs/dbraw/zinc/93/97/34/643939734.db2.gz BTRQWTSWGQBDLB-LLVKDONJSA-N 1 0 289.339 2.139 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000854139087 643996396 /nfs/dbraw/zinc/99/63/96/643996396.db2.gz GEEOXZASUZXPQB-KYZUINATSA-N 1 0 274.280 2.158 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877743432 650888451 /nfs/dbraw/zinc/88/84/51/650888451.db2.gz KNMMWISUIDGJCD-HUUCEWRRSA-N 1 0 289.379 2.429 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000877743276 650888461 /nfs/dbraw/zinc/88/84/61/650888461.db2.gz JLEXWTNEEYXPSW-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877751295 650893149 /nfs/dbraw/zinc/89/31/49/650893149.db2.gz AXSMQJGKAHNUNT-CQSZACIVSA-N 1 0 278.352 2.230 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000788138312 644194696 /nfs/dbraw/zinc/19/46/96/644194696.db2.gz ZOVPWOYCUBKMBM-NEPJUHHUSA-N 1 0 290.319 2.378 20 5 CEBDRO CC1(C)OCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000758009797 644870331 /nfs/dbraw/zinc/87/03/31/644870331.db2.gz AATCXHVDKIIVNZ-FNORWQNLSA-N 1 0 292.335 2.349 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073257 644983250 /nfs/dbraw/zinc/98/32/50/644983250.db2.gz VOXUXDHOQUACJO-KBPBESRZSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H]1CN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858821950 645263700 /nfs/dbraw/zinc/26/37/00/645263700.db2.gz GBPGSCLVYANOBL-VHSXEESVSA-N 1 0 297.330 2.319 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860127953 645707801 /nfs/dbraw/zinc/70/78/01/645707801.db2.gz FVZXRYQAFCPKTH-CUOATXAZSA-N 1 0 280.299 2.079 20 5 CEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848948 645816435 /nfs/dbraw/zinc/81/64/35/645816435.db2.gz LQEFNMOKBYVOJT-RISCZKNCSA-N 1 0 296.367 2.421 20 5 CEBDRO CC(C)[C@@H](O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303810 651059887 /nfs/dbraw/zinc/05/98/87/651059887.db2.gz ZQLNTPIOIVALTH-HNNXBMFYSA-N 1 0 278.352 2.360 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCC1 ZINC000861389423 646169026 /nfs/dbraw/zinc/16/90/26/646169026.db2.gz LVPLKJCKSQTGOW-VAWYXSNFSA-N 1 0 290.319 2.247 20 5 CEBDRO C/C(=C/C(=O)N[C@@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000805429319 646509746 /nfs/dbraw/zinc/50/97/46/646509746.db2.gz CIZRTVRWVJBPOC-MMRAYRKESA-N 1 0 291.351 2.064 20 5 CEBDRO CC[NH+](CC)CCOC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000772214923 646606632 /nfs/dbraw/zinc/60/66/32/646606632.db2.gz PMFDDCNWWSPKJD-UHFFFAOYSA-N 1 0 294.351 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863568452 646758593 /nfs/dbraw/zinc/75/85/93/646758593.db2.gz MKDBNIBGDRZMNU-MNOVXSKESA-N 1 0 251.330 2.243 20 5 CEBDRO CCN(CC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863644174 646776112 /nfs/dbraw/zinc/77/61/12/646776112.db2.gz MGZCEUGDLSPPBP-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182152 646814729 /nfs/dbraw/zinc/81/47/29/646814729.db2.gz JAZBICRXFLHNST-XOBRGWDASA-N 1 0 296.392 2.330 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000774537469 646859776 /nfs/dbraw/zinc/85/97/76/646859776.db2.gz UBIGBLZTJAEWFE-KBPBESRZSA-N 1 0 295.408 2.385 20 5 CEBDRO C[Si](C)(C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000779201259 647296961 /nfs/dbraw/zinc/29/69/61/647296961.db2.gz AMLRFNVXFVXURB-UHFFFAOYSA-N 1 0 265.389 2.225 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(F)c1 ZINC000865697548 647429550 /nfs/dbraw/zinc/42/95/50/647429550.db2.gz ZETYQXOTPJBKIC-GSZDYRQJSA-N 1 0 292.310 2.247 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865998648 647566984 /nfs/dbraw/zinc/56/69/84/647566984.db2.gz QEPIOXCKWDWXHD-LBPRGKRZSA-N 1 0 293.367 2.160 20 5 CEBDRO Cc1ccc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206065 647669290 /nfs/dbraw/zinc/66/92/90/647669290.db2.gz IYCXXVGQIQPMDI-STQMWFEESA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207077 647670609 /nfs/dbraw/zinc/67/06/09/647670609.db2.gz OCSHJPAFUVPVQB-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207344 647672059 /nfs/dbraw/zinc/67/20/59/647672059.db2.gz HZUMIHVRECENSI-UWVGGRQHSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000866343231 647746301 /nfs/dbraw/zinc/74/63/01/647746301.db2.gz KQBZOVDTCVXRMF-FZQKWOKYSA-N 1 0 296.342 2.414 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724913 647883786 /nfs/dbraw/zinc/88/37/86/647883786.db2.gz NXTTVAQATXQNGV-GXTWGEPZSA-N 1 0 279.315 2.060 20 5 CEBDRO CC(C)C[N@H+](CC[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000791051984 648475878 /nfs/dbraw/zinc/47/58/78/648475878.db2.gz JBJLQSYTPHBUCR-CQSZACIVSA-N 1 0 284.331 2.094 20 5 CEBDRO COc1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791053775 648477329 /nfs/dbraw/zinc/47/73/29/648477329.db2.gz PGHMRNFKNXGAJM-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000794713149 648905052 /nfs/dbraw/zinc/90/50/52/648905052.db2.gz VXOILBSSJWLITC-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026489 649244917 /nfs/dbraw/zinc/24/49/17/649244917.db2.gz FJHLHZYHSMHEBH-QWRGUYRKSA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036103 649249509 /nfs/dbraw/zinc/24/95/09/649249509.db2.gz RVEQONTWHRJVEY-RKDXNWHRSA-N 1 0 256.277 2.155 20 5 CEBDRO C[C@H]([NH2+]CCc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062033 649258569 /nfs/dbraw/zinc/25/85/69/649258569.db2.gz BPFWPVDDMIQENZ-JTQLQIEISA-N 1 0 292.314 2.361 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873056545 649546164 /nfs/dbraw/zinc/54/61/64/649546164.db2.gz GCOHTMWPJLYTTA-CQSZACIVSA-N 1 0 298.408 2.415 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cn(C)cn1 ZINC000873130472 649565014 /nfs/dbraw/zinc/56/50/14/649565014.db2.gz DQJJICPBLACQAT-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130821 649565136 /nfs/dbraw/zinc/56/51/36/649565136.db2.gz HDJXQRPZWOSFPW-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873130481 649565170 /nfs/dbraw/zinc/56/51/70/649565170.db2.gz FAZNDCYJELAREY-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000873162474 649576194 /nfs/dbraw/zinc/57/61/94/649576194.db2.gz MFDDCUFNLHHRPP-ZDUSSCGKSA-N 1 0 292.335 2.336 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](CO)C1 ZINC000879149377 651251783 /nfs/dbraw/zinc/25/17/83/651251783.db2.gz LOAYYZUUADUSTG-PWSUYJOCSA-N 1 0 282.315 2.327 20 5 CEBDRO CC1(F)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879381969 651295262 /nfs/dbraw/zinc/29/52/62/651295262.db2.gz NWJOIYVYCFPUEC-CYBMUJFWSA-N 1 0 282.315 2.452 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccc([N+](=O)[O-])c1 ZINC000880129936 651387031 /nfs/dbraw/zinc/38/70/31/651387031.db2.gz CJINFLPTRAXHAZ-LSDHHAIUSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1csc([N+](=O)[O-])c1 ZINC000880134770 651388477 /nfs/dbraw/zinc/38/84/77/651388477.db2.gz VYZSCPRARCIVSG-NWDGAFQWSA-N 1 0 281.381 2.325 20 5 CEBDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000880135136 651388935 /nfs/dbraw/zinc/38/89/35/651388935.db2.gz ZWCRSXLNGBVXEB-HZPDHXFCSA-N 1 0 289.379 2.306 20 5 CEBDRO COCC1([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880187007 651397575 /nfs/dbraw/zinc/39/75/75/651397575.db2.gz WCXGQQUJWNJWKQ-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO COCC1([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000880186341 651397628 /nfs/dbraw/zinc/39/76/28/651397628.db2.gz BNTVDWTVVZTASS-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880237237 651406415 /nfs/dbraw/zinc/40/64/15/651406415.db2.gz UACPEASFLOVVFJ-SMDDNHRTSA-N 1 0 282.315 2.310 20 5 CEBDRO COc1ccc(OCC[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880242383 651407657 /nfs/dbraw/zinc/40/76/57/651407657.db2.gz XLXGJNSRWVFMHF-UHFFFAOYSA-N 1 0 298.314 2.416 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000882100295 651963183 /nfs/dbraw/zinc/96/31/83/651963183.db2.gz BFBSTYPXWLJIRQ-GHMZBOCLSA-N 1 0 294.330 2.049 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882241252 652007726 /nfs/dbraw/zinc/00/77/26/652007726.db2.gz GVKYDNFLLMYIME-UHFFFAOYSA-N 1 0 296.346 2.441 20 5 CEBDRO CSCC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130236493 652231477 /nfs/dbraw/zinc/23/14/77/652231477.db2.gz ZLOVKKCILMPSOQ-GXFFZTMASA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1nc(N2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882964272 652294414 /nfs/dbraw/zinc/29/44/14/652294414.db2.gz YAMJWMVRGXQSRI-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)C1CC1 ZINC000883002876 652318422 /nfs/dbraw/zinc/31/84/22/652318422.db2.gz QYKTVAOCTVHSGY-USYSOWRXSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC1 ZINC000131430164 652424818 /nfs/dbraw/zinc/42/48/18/652424818.db2.gz QQSYCWZCTZCAKP-SNVBAGLBSA-N 1 0 256.689 2.127 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000800138605 652660477 /nfs/dbraw/zinc/66/04/77/652660477.db2.gz UMTHOMGSWCCBKZ-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C(C)(C)C2)c1C ZINC000884305304 652788957 /nfs/dbraw/zinc/78/89/57/652788957.db2.gz RPTMHMBAJMYPCU-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)[NH3+])c1C ZINC000884396428 652833304 /nfs/dbraw/zinc/83/33/04/652833304.db2.gz CNEJFRVDLAKNIN-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134756269 652873328 /nfs/dbraw/zinc/87/33/28/652873328.db2.gz QCESJMCMNYPJHP-NEPJUHHUSA-N 1 0 250.298 2.016 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000689351305 806325306 /nfs/dbraw/zinc/32/53/06/806325306.db2.gz WEVFPRSDWQALNU-QMTHXVAHSA-N 1 0 282.315 2.327 20 5 CEBDRO COc1cc(NC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC001168185094 806384950 /nfs/dbraw/zinc/38/49/50/806384950.db2.gz CQYHAVLRPUJAHP-UHFFFAOYSA-N 1 0 279.340 2.466 20 5 CEBDRO Cc1cccc(N[C@H]2C[NH2+]CC[C@H]2F)c1[N+](=O)[O-] ZINC001168226485 806421606 /nfs/dbraw/zinc/42/16/06/806421606.db2.gz AUFOJJGYSFAPES-KOLCDFICSA-N 1 0 253.277 2.015 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc3cc(C[NH3+])cnc32)n1 ZINC001167311485 802672481 /nfs/dbraw/zinc/67/24/81/802672481.db2.gz NBRURMGLENNGER-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO Cc1c(-n2cccc2C[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167592692 803173626 /nfs/dbraw/zinc/17/36/26/803173626.db2.gz BCMCQBGBUCGNHF-UHFFFAOYSA-N 1 0 276.252 2.061 20 5 CEBDRO CCOC(=O)c1ccc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167596189 803179309 /nfs/dbraw/zinc/17/93/09/803179309.db2.gz VLTUTSUMVRHNQE-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO Cc1ccc(Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001213660000 803224953 /nfs/dbraw/zinc/22/49/53/803224953.db2.gz LMIDXGNTHINEMM-UHFFFAOYSA-N 1 0 289.339 2.405 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217970289 803519381 /nfs/dbraw/zinc/51/93/81/803519381.db2.gz KMYBJEDQCQMODI-GFCCVEGCSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]1(C)CO ZINC000694693897 803580428 /nfs/dbraw/zinc/58/04/28/803580428.db2.gz MPFWFOMTQVLMLV-QMTHXVAHSA-N 1 0 282.315 2.184 20 5 CEBDRO C[NH2+][C@@H](C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC001117953623 814968933 /nfs/dbraw/zinc/96/89/33/814968933.db2.gz JUJFQLDYUFBDSP-HWPRWLFBSA-N 1 0 263.341 2.196 20 5 CEBDRO C[NH2+][C@@H](C)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC001117954789 814970171 /nfs/dbraw/zinc/97/01/71/814970171.db2.gz FXHACWANZPXTLH-NSHDSACASA-N 1 0 294.355 2.331 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000687975165 805131627 /nfs/dbraw/zinc/13/16/27/805131627.db2.gz QLVZFXWSAKVHAH-JOYOIKCWSA-N 1 0 250.298 2.028 20 5 CEBDRO COC(=O)CCc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233658346 807440309 /nfs/dbraw/zinc/44/03/09/807440309.db2.gz LIZOOLUIXSLOEZ-CYBMUJFWSA-N 1 0 280.388 2.266 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699807852 807852727 /nfs/dbraw/zinc/85/27/27/807852727.db2.gz CPLNTZNOVNAOEK-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000716907575 815158748 /nfs/dbraw/zinc/15/87/48/815158748.db2.gz HLUNYIASPAOPTF-JQWIXIFHSA-N 1 0 252.314 2.234 20 5 CEBDRO COC/C(C)=C/C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001119854981 815164956 /nfs/dbraw/zinc/16/49/56/815164956.db2.gz KINGACRAXHIHDH-KGVSQERTSA-N 1 0 294.355 2.021 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120474593 815226279 /nfs/dbraw/zinc/22/62/79/815226279.db2.gz KJANCCVMJMBUNC-WCQYABFASA-N 1 0 294.351 2.113 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001120591201 815242111 /nfs/dbraw/zinc/24/21/11/815242111.db2.gz VBSRHWUBPYOBTA-KGLIPLIRSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC000702054266 809490178 /nfs/dbraw/zinc/49/01/78/809490178.db2.gz SOWBMFCAAWODON-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1c(C[NH2+]C[C@@](C)(O)C(F)F)cccc1[N+](=O)[O-] ZINC000705039193 809766552 /nfs/dbraw/zinc/76/65/52/809766552.db2.gz JHTYQPYYYBPRHV-GFCCVEGCSA-N 1 0 274.267 2.009 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000710717241 809990649 /nfs/dbraw/zinc/99/06/49/809990649.db2.gz BBPPJUUZKCUHMJ-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122600817 815429750 /nfs/dbraw/zinc/42/97/50/815429750.db2.gz YSFDWKXHGPIRLK-RNCFNFMXSA-N 1 0 277.324 2.230 20 5 CEBDRO CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976699 811304524 /nfs/dbraw/zinc/30/45/24/811304524.db2.gz FEBAJRWKOPIAFY-TUAOUCFPSA-N 1 0 256.346 2.169 20 5 CEBDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977793 811306287 /nfs/dbraw/zinc/30/62/87/811306287.db2.gz LYCHQZMZIZSUOK-YNEHKIRRSA-N 1 0 263.341 2.486 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC001168977055 811306388 /nfs/dbraw/zinc/30/63/88/811306388.db2.gz HJEVKIPQULSYOO-UONOGXRCSA-N 1 0 278.352 2.491 20 5 CEBDRO Cc1ccnc(CCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168979480 811307701 /nfs/dbraw/zinc/30/77/01/811307701.db2.gz YKVMGRRZNYFEGN-ZFWWWQNUSA-N 1 0 277.368 2.358 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC001168979524 811308021 /nfs/dbraw/zinc/30/80/21/811308021.db2.gz YZONGKQKZDKVLI-YPMHNXCESA-N 1 0 282.315 2.240 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168978628 811308932 /nfs/dbraw/zinc/30/89/32/811308932.db2.gz TVCVTRUFAHJVOM-YNEHKIRRSA-N 1 0 263.341 2.486 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001168984599 811311509 /nfs/dbraw/zinc/31/15/09/811311509.db2.gz OYZLHJLSLFQMDF-DGCLKSJQSA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001168958012 811312146 /nfs/dbraw/zinc/31/21/46/811312146.db2.gz KXALDWAFCXEPMQ-AAEUAGOBSA-N 1 0 252.289 2.361 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966057 811317606 /nfs/dbraw/zinc/31/76/06/811317606.db2.gz GAODEFUOSKNYPV-AEJSXWLSSA-N 1 0 255.343 2.239 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccsc2)C1 ZINC001168968533 811320085 /nfs/dbraw/zinc/32/00/85/811320085.db2.gz ZYHMPQSTVJYBPB-RYUDHWBXSA-N 1 0 254.355 2.326 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC001168968817 811320541 /nfs/dbraw/zinc/32/05/41/811320541.db2.gz AMAQDPACUJAFTH-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)COC2)C1 ZINC001168972554 811321745 /nfs/dbraw/zinc/32/17/45/811321745.db2.gz NIAYEQBJPSGDTP-FZMZJTMJSA-N 1 0 294.326 2.086 20 5 CEBDRO Cc1ccnc(C2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996946 811325280 /nfs/dbraw/zinc/32/52/80/811325280.db2.gz ADJRKXNTSNZFAF-ZIAGYGMSSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ncoc3c2)C1 ZINC001168989278 811337181 /nfs/dbraw/zinc/33/71/81/811337181.db2.gz VOLUESHWOQEKCZ-NWDGAFQWSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cnccn2)C1 ZINC001169033607 811345497 /nfs/dbraw/zinc/34/54/97/811345497.db2.gz CIHGHDZNURVEIH-DYEKYZERSA-N 1 0 276.340 2.059 20 5 CEBDRO CC[N@H+](Cc1cccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033639 811347275 /nfs/dbraw/zinc/34/72/75/811347275.db2.gz CRHNTJAKVPZOIE-TZMCWYRMSA-N 1 0 263.341 2.349 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCOCC3)CC2)C1 ZINC001169038938 811347760 /nfs/dbraw/zinc/34/77/60/811347760.db2.gz LRXQGVVFTDPAFL-KBPBESRZSA-N 1 0 282.384 2.324 20 5 CEBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038791 811348784 /nfs/dbraw/zinc/34/87/84/811348784.db2.gz KJQGUMGPZXXPJK-LSGALXMHSA-N 1 0 268.357 2.074 20 5 CEBDRO CC[N@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040368 811350172 /nfs/dbraw/zinc/35/01/72/811350172.db2.gz ZJSZUSSNISEEAL-RYUDHWBXSA-N 1 0 286.372 2.095 20 5 CEBDRO CCN(CC)CC[N@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026569 811354371 /nfs/dbraw/zinc/35/43/71/811354371.db2.gz MYCJVBBNHPXSJU-UONOGXRCSA-N 1 0 271.405 2.096 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001169045745 811355199 /nfs/dbraw/zinc/35/51/99/811355199.db2.gz JVPCJRGSGLZMDY-SCRDCRAPSA-N 1 0 292.383 2.344 20 5 CEBDRO [NH3+]CCON=c1[nH]c2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001156291426 811476103 /nfs/dbraw/zinc/47/61/03/811476103.db2.gz CULNWUNZJCHDSE-UHFFFAOYSA-N 1 0 282.687 2.099 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)c1 ZINC001169725072 811644339 /nfs/dbraw/zinc/64/43/39/811644339.db2.gz HAPAUIMGSZXVFV-UHFFFAOYSA-N 1 0 256.265 2.326 20 5 CEBDRO COc1cc(NCC[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156377605 811664386 /nfs/dbraw/zinc/66/43/86/811664386.db2.gz BUSRKMADJFWDMF-NSHDSACASA-N 1 0 294.355 2.142 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(-n2cccc2C[NH3+])nc1Cl ZINC001156724083 811893611 /nfs/dbraw/zinc/89/36/11/811893611.db2.gz WBOFTYWCLKZVDX-UHFFFAOYSA-N 1 0 266.688 2.201 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccon2)c([N+](=O)[O-])c1 ZINC001170297781 812376399 /nfs/dbraw/zinc/37/63/99/812376399.db2.gz RXDRZJCYSMHOCM-SNVBAGLBSA-N 1 0 291.307 2.312 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170309378 812391801 /nfs/dbraw/zinc/39/18/01/812391801.db2.gz QGTZRIZQUCGNRB-NWDGAFQWSA-N 1 0 294.351 2.161 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC2CC(=O)C2)c([N+](=O)[O-])c1 ZINC001170308104 812392289 /nfs/dbraw/zinc/39/22/89/812392289.db2.gz KEFWEAJJXFTURW-JTQLQIEISA-N 1 0 292.335 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC(O)C1)CC2 ZINC001172901634 815539888 /nfs/dbraw/zinc/53/98/88/815539888.db2.gz PCRWGZCNOGFWLC-WMEQCIOUSA-N 1 0 290.363 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCC1)CC2 ZINC001172899524 815539957 /nfs/dbraw/zinc/53/99/57/815539957.db2.gz CJVBDUJZIBTWKG-OAHLLOKOSA-N 1 0 289.379 2.138 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC001172901631 815540045 /nfs/dbraw/zinc/54/00/45/815540045.db2.gz PCRWGZCNOGFWLC-HZUKXOBISA-N 1 0 290.363 2.203 20 5 CEBDRO CC1(CO)C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904727 815541062 /nfs/dbraw/zinc/54/10/62/815541062.db2.gz ACKWNRGNLFYCLC-AWEZNQCLSA-N 1 0 290.363 2.156 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1COC1)CC2 ZINC001172896187 815543154 /nfs/dbraw/zinc/54/31/54/815543154.db2.gz NAZKTBVJFBDZRI-AWEZNQCLSA-N 1 0 276.336 2.078 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@H]1CO3)CC2 ZINC001172918220 815544621 /nfs/dbraw/zinc/54/46/21/815544621.db2.gz ZFBOSOCONBSWJM-KBMXLJTQSA-N 1 0 288.347 2.315 20 5 CEBDRO CC(C)([NH3+])CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001171196011 814095905 /nfs/dbraw/zinc/09/59/05/814095905.db2.gz OEGIBKQEZHLOMW-UHFFFAOYSA-N 1 0 278.287 2.431 20 5 CEBDRO CC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175302 815616933 /nfs/dbraw/zinc/61/69/33/815616933.db2.gz MSKAKSLNAWDPEP-QMMMGPOBSA-N 1 0 256.277 2.283 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)n1 ZINC000697863615 814652760 /nfs/dbraw/zinc/65/27/60/814652760.db2.gz GHLBEEIZWHEDSM-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000712577788 814752736 /nfs/dbraw/zinc/75/27/36/814752736.db2.gz RYBSNTNQHUHMCG-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173216251 815623738 /nfs/dbraw/zinc/62/37/38/815623738.db2.gz HTGNVEKAHFAMSD-QKCSRTOESA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnoc1 ZINC001173217785 815624662 /nfs/dbraw/zinc/62/46/62/815624662.db2.gz MCUHUTYCSSZDHT-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO COCCOCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222286 815628026 /nfs/dbraw/zinc/62/80/26/815628026.db2.gz WAAWDLXTFJNJRH-ZDUSSCGKSA-N 1 0 296.367 2.169 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC001173225502 815629046 /nfs/dbraw/zinc/62/90/46/815629046.db2.gz CPROKOPZVKCNTD-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CCC[NH3+] ZINC001173225279 815629497 /nfs/dbraw/zinc/62/94/97/815629497.db2.gz JCFHWQXKYAULSY-LBPRGKRZSA-N 1 0 288.351 2.486 20 5 CEBDRO Cc1nccnc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226206 815630035 /nfs/dbraw/zinc/63/00/35/815630035.db2.gz WCLQZJSNEUWBRR-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cnccn1 ZINC001173228622 815630760 /nfs/dbraw/zinc/63/07/60/815630760.db2.gz YIROMZPDCKGQJR-LBPRGKRZSA-N 1 0 286.335 2.448 20 5 CEBDRO CC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230724 815632516 /nfs/dbraw/zinc/63/25/16/815632516.db2.gz DXYYHXRPDWWBED-RISCZKNCSA-N 1 0 276.336 2.437 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccco1 ZINC001173212065 815635705 /nfs/dbraw/zinc/63/57/05/815635705.db2.gz WMSIKZMILZRUQZ-BXUZGUMPSA-N 1 0 290.319 2.442 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCO ZINC001173208688 815635935 /nfs/dbraw/zinc/63/59/35/815635935.db2.gz AONYUFDGBZWJIY-GFCCVEGCSA-N 1 0 266.341 2.278 20 5 CEBDRO CSCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213817 815637280 /nfs/dbraw/zinc/63/72/80/815637280.db2.gz KWWTTXUTJOEFFW-JTQLQIEISA-N 1 0 254.355 2.478 20 5 CEBDRO CCC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001176782338 816470964 /nfs/dbraw/zinc/47/09/64/816470964.db2.gz AHARLJDOYYCQMA-GFCCVEGCSA-N 1 0 279.340 2.021 20 5 CEBDRO NC(=O)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC001178606377 816772265 /nfs/dbraw/zinc/77/22/65/816772265.db2.gz YVVRJGZODRJESY-UHFFFAOYSA-N 1 0 299.330 2.026 20 5 CEBDRO CC[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001178856216 816808829 /nfs/dbraw/zinc/80/88/29/816808829.db2.gz JFAOMEYZNPQFTR-SNVBAGLBSA-N 1 0 297.380 2.116 20 5 CEBDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601290755 346813813 /nfs/dbraw/zinc/81/38/13/346813813.db2.gz BYXIIAONZWWIBR-SUHUHFCYSA-N 1 0 264.325 2.406 20 5 CEBDRO CC(C)N(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110814 282104123 /nfs/dbraw/zinc/10/41/23/282104123.db2.gz GWJUYPQKXVXHDN-CYBMUJFWSA-N 1 0 279.384 2.456 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000033394698 361778254 /nfs/dbraw/zinc/77/82/54/361778254.db2.gz WIOJFTGLCXQZJS-VURMDHGXSA-N 1 0 263.341 2.101 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294964251 199273161 /nfs/dbraw/zinc/27/31/61/199273161.db2.gz CREYTSYKUBHDTD-SECBINFHSA-N 1 0 299.758 2.253 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601526217 346846174 /nfs/dbraw/zinc/84/61/74/346846174.db2.gz UBWZHHWTZJUKPM-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CCCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000037563269 361904703 /nfs/dbraw/zinc/90/47/03/361904703.db2.gz GTORLUZITQTQFT-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737837 361925405 /nfs/dbraw/zinc/92/54/05/361925405.db2.gz HLSLJXQTVLHJRU-QWRGUYRKSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738351 361925758 /nfs/dbraw/zinc/92/57/58/361925758.db2.gz PMARLHZKPRKDBT-GHMZBOCLSA-N 1 0 250.298 2.282 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000040776469 361998400 /nfs/dbraw/zinc/99/84/00/361998400.db2.gz GPSPFQBCKRZRAT-SNVBAGLBSA-N 1 0 258.343 2.153 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080463937 344010499 /nfs/dbraw/zinc/01/04/99/344010499.db2.gz KKFKKXQXGPEJPH-YPMHNXCESA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CC1 ZINC000449299937 282178231 /nfs/dbraw/zinc/17/82/31/282178231.db2.gz BRIXZXBAVDBYED-GIPWTMENSA-N 1 0 296.392 2.027 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CC1 ZINC000449299935 282178273 /nfs/dbraw/zinc/17/82/73/282178273.db2.gz BRIXZXBAVDBYED-BIBXISHDSA-N 1 0 296.392 2.027 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449374661 282205020 /nfs/dbraw/zinc/20/50/20/282205020.db2.gz BMQLJDXYZRNKSS-WOLRVDTOSA-N 1 0 264.325 2.311 20 5 CEBDRO COC[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045696087 362165691 /nfs/dbraw/zinc/16/56/91/362165691.db2.gz MBPXDCCIKZXQRY-NSHDSACASA-N 1 0 252.314 2.009 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000449506793 282262917 /nfs/dbraw/zinc/26/29/17/282262917.db2.gz LGAUOVGVOFTJEW-HZPDHXFCSA-N 1 0 290.363 2.482 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023050 362240169 /nfs/dbraw/zinc/24/01/69/362240169.db2.gz ZUPMWMGYMGFPKV-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534322 343473813 /nfs/dbraw/zinc/47/38/13/343473813.db2.gz LJIHDUGAIMPUQY-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO COCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000044658739 343476031 /nfs/dbraw/zinc/47/60/31/343476031.db2.gz HTLUMLMMQYQGNE-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000043148517 343461463 /nfs/dbraw/zinc/46/14/63/343461463.db2.gz LCEXEJZSMZIOPJ-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000046444115 343499570 /nfs/dbraw/zinc/49/95/70/343499570.db2.gz FKRMOVWPELBHJE-AWEZNQCLSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1nn(C)c(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000051650252 343552227 /nfs/dbraw/zinc/55/22/27/343552227.db2.gz MCAOAHVFGWBOQD-UHFFFAOYSA-N 1 0 295.387 2.169 20 5 CEBDRO CCc1nn(C)c(N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000357576078 529767636 /nfs/dbraw/zinc/76/76/36/529767636.db2.gz CUUNPPWXCIHDIW-SNVBAGLBSA-N 1 0 283.376 2.031 20 5 CEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055539761 343605819 /nfs/dbraw/zinc/60/58/19/343605819.db2.gz BXNQAXVQZQUUOM-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000057719414 343636560 /nfs/dbraw/zinc/63/65/60/343636560.db2.gz AIDUWRZAFHBZGT-SNVBAGLBSA-N 1 0 291.351 2.116 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527679 343679181 /nfs/dbraw/zinc/67/91/81/343679181.db2.gz MJSKWZJFYFRDCW-HNNXBMFYSA-N 1 0 275.352 2.122 20 5 CEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800133 343773599 /nfs/dbraw/zinc/77/35/99/343773599.db2.gz TURFZBFMCWYTAX-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000351518959 219113176 /nfs/dbraw/zinc/11/31/76/219113176.db2.gz SWUYODJNTHEIRZ-CABCVRRESA-N 1 0 294.351 2.114 20 5 CEBDRO C[N@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000602085945 346970384 /nfs/dbraw/zinc/97/03/84/346970384.db2.gz QWOOTFJAFOFNNE-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449643115 282316210 /nfs/dbraw/zinc/31/62/10/282316210.db2.gz YNYOVRYIWAEDQP-DGCLKSJQSA-N 1 0 291.351 2.151 20 5 CEBDRO COC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090909827 344146172 /nfs/dbraw/zinc/14/61/72/344146172.db2.gz LTPMIIIDTIOKJD-CQSZACIVSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000092672346 344199363 /nfs/dbraw/zinc/19/93/63/344199363.db2.gz TYEQQQIPUIUPEE-GHMZBOCLSA-N 1 0 276.340 2.335 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[C@H]1[NH3+] ZINC000122498210 344306534 /nfs/dbraw/zinc/30/65/34/344306534.db2.gz WPXPIKQPSYDSMJ-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(OCC[C@@H]2CC[NH2+]C2)c1 ZINC000122479307 344306557 /nfs/dbraw/zinc/30/65/57/344306557.db2.gz DTYJYNVOVAFRDA-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122627780 344307565 /nfs/dbraw/zinc/30/75/65/344307565.db2.gz LACASCSUUMVZQG-GXFFZTMASA-N 1 0 292.339 2.186 20 5 CEBDRO C[NH2+]CCCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133579136 344369543 /nfs/dbraw/zinc/36/95/43/344369543.db2.gz XBDNQKNCJGBUNV-UHFFFAOYSA-N 1 0 289.129 2.346 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCCC1 ZINC000137658010 344388591 /nfs/dbraw/zinc/38/85/91/344388591.db2.gz YHNIUOCAYBDPEB-UHFFFAOYSA-N 1 0 295.387 2.395 20 5 CEBDRO CC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000143618398 344405861 /nfs/dbraw/zinc/40/58/61/344405861.db2.gz REJJCDLSZGLJJI-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO Nc1ccc(OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000147007169 344411378 /nfs/dbraw/zinc/41/13/78/344411378.db2.gz WPUYJKSUUGTIAJ-UHFFFAOYSA-N 1 0 265.313 2.042 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000156962440 344444289 /nfs/dbraw/zinc/44/42/89/344444289.db2.gz HEFZDPNJKCMLDB-OAHLLOKOSA-N 1 0 278.352 2.374 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000602483765 347054809 /nfs/dbraw/zinc/05/48/09/347054809.db2.gz LCZFKEOLPPTPQR-MNOVXSKESA-N 1 0 266.345 2.196 20 5 CEBDRO CC(=O)c1cc(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000228257592 344559506 /nfs/dbraw/zinc/55/95/06/344559506.db2.gz XGCNYWHKVJNXTO-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000051895810 362446501 /nfs/dbraw/zinc/44/65/01/362446501.db2.gz ABFUFRYOLFOLOQ-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000051896783 362448094 /nfs/dbraw/zinc/44/80/94/362448094.db2.gz AAEZUUJDSIHWBX-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CCCCC2)cc1 ZINC000053096948 362481873 /nfs/dbraw/zinc/48/18/73/362481873.db2.gz BDVXHUPGHLQDCZ-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312085238 344737604 /nfs/dbraw/zinc/73/76/04/344737604.db2.gz WBLREYJHSPHNFT-AOOOYVTPSA-N 1 0 267.304 2.229 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000304098111 344706020 /nfs/dbraw/zinc/70/60/20/344706020.db2.gz FZHCSWCBVVVXPE-DGCLKSJQSA-N 1 0 296.367 2.359 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000602544075 347071573 /nfs/dbraw/zinc/07/15/73/347071573.db2.gz IRGDLRCYDXLKKJ-NWDGAFQWSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCOC1 ZINC000602573074 347083372 /nfs/dbraw/zinc/08/33/72/347083372.db2.gz YCNLCPGAQKWZSW-JTQLQIEISA-N 1 0 290.241 2.492 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789793 282369313 /nfs/dbraw/zinc/36/93/13/282369313.db2.gz IGZYOXHUENPNKT-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000401188969 344867017 /nfs/dbraw/zinc/86/70/17/344867017.db2.gz PGCNBLPODJQZPG-WDEREUQCSA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404297804 344879316 /nfs/dbraw/zinc/87/93/16/344879316.db2.gz YATUIOVAHLEXOZ-MWLCHTKSSA-N 1 0 297.380 2.246 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccns2)cc1 ZINC000404382904 344879831 /nfs/dbraw/zinc/87/98/31/344879831.db2.gz NGLIIHRSHGGIMY-UHFFFAOYSA-N 1 0 279.321 2.220 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449793782 282370617 /nfs/dbraw/zinc/37/06/17/282370617.db2.gz YCQLQZNIRSZMMK-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589112912 345065849 /nfs/dbraw/zinc/06/58/49/345065849.db2.gz GJDIQXBUJHFAAM-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160945 345226589 /nfs/dbraw/zinc/22/65/89/345226589.db2.gz MVDCCNUCAIRBQX-JQWIXIFHSA-N 1 0 294.330 2.192 20 5 CEBDRO COc1cccc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000591442759 345255980 /nfs/dbraw/zinc/25/59/80/345255980.db2.gz RPASTTWJGHHQRT-UHFFFAOYSA-N 1 0 291.351 2.183 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000591288801 345238212 /nfs/dbraw/zinc/23/82/12/345238212.db2.gz QTBZIYJTGWQZMU-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC[NH2+]2)CC1 ZINC000591560585 345264147 /nfs/dbraw/zinc/26/41/47/345264147.db2.gz ZSYKGKFICWXVNI-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC[C@H]1CCOC1)CC2 ZINC000592097772 345321457 /nfs/dbraw/zinc/32/14/57/345321457.db2.gz KREVEDXPQGBYPK-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO O=[N+]([O-])c1ccccc1NCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356739 345344830 /nfs/dbraw/zinc/34/48/30/345344830.db2.gz HKAFQICNRWNJSE-SNVBAGLBSA-N 1 0 289.295 2.014 20 5 CEBDRO Cc1c(Cc2nc([C@H]3CCC[NH2+]3)no2)cccc1[N+](=O)[O-] ZINC000592357010 345345090 /nfs/dbraw/zinc/34/50/90/345345090.db2.gz MJNYQIPWUMUXIF-LLVKDONJSA-N 1 0 288.307 2.302 20 5 CEBDRO CCC(C)(C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273249886 192088039 /nfs/dbraw/zinc/08/80/39/192088039.db2.gz YFUJBYQUPZDYTE-LBPRGKRZSA-N 1 0 296.367 2.455 20 5 CEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000593205370 345453604 /nfs/dbraw/zinc/45/36/04/345453604.db2.gz NIRMMJVNJNQGEQ-UHFFFAOYSA-N 1 0 293.367 2.303 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000593030176 345425766 /nfs/dbraw/zinc/42/57/66/345425766.db2.gz HXCGBWFLRSRJLA-OAHLLOKOSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182727 345450317 /nfs/dbraw/zinc/45/03/17/345450317.db2.gz BIBFARNGGUDFIX-DOMZBBRYSA-N 1 0 294.351 2.177 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000127405393 187304150 /nfs/dbraw/zinc/30/41/50/187304150.db2.gz DMYRGQUXOZHXSV-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160293 260263271 /nfs/dbraw/zinc/26/32/71/260263271.db2.gz LHUIJYNNYKUFBQ-YPMHNXCESA-N 1 0 298.408 2.229 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000595103297 345742716 /nfs/dbraw/zinc/74/27/16/345742716.db2.gz KZGXDAIJCKPBCZ-CYUUQNCZSA-N 1 0 290.363 2.419 20 5 CEBDRO Cc1c(C[NH2+]Cc2cnc3n2CCC3)cccc1[N+](=O)[O-] ZINC000594938258 345710003 /nfs/dbraw/zinc/71/00/03/345710003.db2.gz LISUADABLPPYHH-UHFFFAOYSA-N 1 0 286.335 2.336 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000594954012 345715130 /nfs/dbraw/zinc/71/51/30/345715130.db2.gz VVRQQEFBSFMVKS-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000594956520 345715956 /nfs/dbraw/zinc/71/59/56/345715956.db2.gz JKBRGNSVRVKDSW-ZDUSSCGKSA-N 1 0 250.298 2.172 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000594968445 345719331 /nfs/dbraw/zinc/71/93/31/345719331.db2.gz GVWFKVUQUKUIMS-MGCOHNPYSA-N 1 0 256.327 2.313 20 5 CEBDRO Cc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000594970150 345719553 /nfs/dbraw/zinc/71/95/53/345719553.db2.gz CUISKEPGLQQSKC-LBPRGKRZSA-N 1 0 286.278 2.417 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000594970351 345719628 /nfs/dbraw/zinc/71/96/28/345719628.db2.gz YZCKDWOALWIWCL-SECBINFHSA-N 1 0 284.743 2.499 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000595005298 345724588 /nfs/dbraw/zinc/72/45/88/345724588.db2.gz BMVRKZZRVFGXGA-ZYHUDNBSSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000595009310 345726342 /nfs/dbraw/zinc/72/63/42/345726342.db2.gz QQCPZDMYTQXRGP-ZWNOBZJWSA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000595017708 345728128 /nfs/dbraw/zinc/72/81/28/345728128.db2.gz NDJVENSLNUIFOF-NWDGAFQWSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CO ZINC000595021009 345728768 /nfs/dbraw/zinc/72/87/68/345728768.db2.gz BULPLUJOXROVMC-SNVBAGLBSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CCO ZINC000595029770 345730895 /nfs/dbraw/zinc/73/08/95/345730895.db2.gz YJEAUMWSVIGUKO-GHMZBOCLSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000595045080 345733931 /nfs/dbraw/zinc/73/39/31/345733931.db2.gz RCYKITGYODNLOE-LLVKDONJSA-N 1 0 293.367 2.348 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560340 345813628 /nfs/dbraw/zinc/81/36/28/345813628.db2.gz ARIALVDNRCCXCH-VXGBXAGGSA-N 1 0 295.339 2.282 20 5 CEBDRO Cc1noc(C[NH2+][C@](C)(CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595334769 345764348 /nfs/dbraw/zinc/76/43/48/345764348.db2.gz VVXGSHDTWASRQM-CQSZACIVSA-N 1 0 297.355 2.312 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595377111 345770898 /nfs/dbraw/zinc/77/08/98/345770898.db2.gz NZFJPNJNWYOTRY-CMPLNLGQSA-N 1 0 296.371 2.053 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595377115 345771045 /nfs/dbraw/zinc/77/10/45/345771045.db2.gz NZFJPNJNWYOTRY-PWSUYJOCSA-N 1 0 296.371 2.053 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595388988 345772168 /nfs/dbraw/zinc/77/21/68/345772168.db2.gz JXYHUTFMQCJPCQ-NEPJUHHUSA-N 1 0 295.339 2.140 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595396419 345773377 /nfs/dbraw/zinc/77/33/77/345773377.db2.gz LOOJCSANNHDBGS-ZWNOBZJWSA-N 1 0 282.315 2.469 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595489497 345794311 /nfs/dbraw/zinc/79/43/11/345794311.db2.gz BHQLWJYOXKQMGB-TXEJJXNPSA-N 1 0 268.288 2.343 20 5 CEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512165 345800986 /nfs/dbraw/zinc/80/09/86/345800986.db2.gz OAZJRHKEIFADNZ-UPZJHPNMSA-N 1 0 283.328 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000595738645 345863112 /nfs/dbraw/zinc/86/31/12/345863112.db2.gz XCLKYQFQPKYIPW-JSGCOSHPSA-N 1 0 294.351 2.311 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873717 345903834 /nfs/dbraw/zinc/90/38/34/345903834.db2.gz MTBFTSSCDMXWPJ-XHDPSFHLSA-N 1 0 294.351 2.054 20 5 CEBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595908683 345911546 /nfs/dbraw/zinc/91/15/46/345911546.db2.gz JPFKRULRXCTTET-GFCCVEGCSA-N 1 0 291.351 2.172 20 5 CEBDRO CC(C)[NH2+]CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956202 345917308 /nfs/dbraw/zinc/91/73/08/345917308.db2.gz HIWJWSHSRRLKNN-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596093686 345938920 /nfs/dbraw/zinc/93/89/20/345938920.db2.gz DKOUIFSHOVDUIO-JTQLQIEISA-N 1 0 298.774 2.209 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596305907 345995475 /nfs/dbraw/zinc/99/54/75/345995475.db2.gz CRNQFCVFUINZLF-LLVKDONJSA-N 1 0 278.356 2.005 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302546 187363057 /nfs/dbraw/zinc/36/30/57/187363057.db2.gz MPYGUBXBCAQBJM-CHWSQXEVSA-N 1 0 264.325 2.152 20 5 CEBDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000061375977 362679232 /nfs/dbraw/zinc/67/92/32/362679232.db2.gz PXPIQPNUWQLEKG-ZDUSSCGKSA-N 1 0 295.383 2.132 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142450 199369959 /nfs/dbraw/zinc/36/99/59/199369959.db2.gz IWVISXULLGQRMO-SNVBAGLBSA-N 1 0 265.313 2.230 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCCC1 ZINC000062075392 362704991 /nfs/dbraw/zinc/70/49/91/362704991.db2.gz XFELWTMUWNYUAN-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598720327 346407369 /nfs/dbraw/zinc/40/73/69/346407369.db2.gz PZOYLIOUEGCANL-HIFRSBDPSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598999155 346444338 /nfs/dbraw/zinc/44/43/38/346444338.db2.gz KLUUXWUJNOKSBR-KZWBYHQPSA-N 1 0 264.325 2.496 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000599000797 346444682 /nfs/dbraw/zinc/44/46/82/346444682.db2.gz WDEGJLMUHIQCLD-FBKDDSFISA-N 1 0 264.325 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN(C)CC(F)F ZINC000599023990 346448270 /nfs/dbraw/zinc/44/82/70/346448270.db2.gz XAXZFPIEGICODP-UHFFFAOYSA-N 1 0 287.310 2.190 20 5 CEBDRO Cc1cc(N2CCc3[nH+]ccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598940860 346435068 /nfs/dbraw/zinc/43/50/68/346435068.db2.gz AXBMZRQEXAQGEI-UHFFFAOYSA-N 1 0 284.319 2.443 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000598938667 346435254 /nfs/dbraw/zinc/43/52/54/346435254.db2.gz FOHVBWMPQCOJMZ-HYXAFXHYSA-N 1 0 284.319 2.389 20 5 CEBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598988338 346442794 /nfs/dbraw/zinc/44/27/94/346442794.db2.gz OVOUPHJKJFNBRI-IINYFYTJSA-N 1 0 280.299 2.391 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598999152 346444075 /nfs/dbraw/zinc/44/40/75/346444075.db2.gz KLUUXWUJNOKSBR-DEKYYXRVSA-N 1 0 264.325 2.496 20 5 CEBDRO Cc1noc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000599593911 346543156 /nfs/dbraw/zinc/54/31/56/346543156.db2.gz GUVJMGRHZIHONP-CQSZACIVSA-N 1 0 297.355 2.312 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000600714837 346676550 /nfs/dbraw/zinc/67/65/50/346676550.db2.gz PUYMDJBUTBETQA-NSHDSACASA-N 1 0 269.370 2.086 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351760323 219199738 /nfs/dbraw/zinc/19/97/38/219199738.db2.gz UHNGWRSRXRLICS-UWVGGRQHSA-N 1 0 299.321 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000600786730 346689840 /nfs/dbraw/zinc/68/98/40/346689840.db2.gz RPAWRGGVPYNTBL-UHFFFAOYSA-N 1 0 272.308 2.383 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000601152900 346771665 /nfs/dbraw/zinc/77/16/65/346771665.db2.gz IQKNOPCCTZIOTF-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601172365 346777188 /nfs/dbraw/zinc/77/71/88/346777188.db2.gz ZGFMRZDQSZJCTF-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601175838 346778272 /nfs/dbraw/zinc/77/82/72/346778272.db2.gz QWQLZSFHEUEHIN-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000601227580 346795711 /nfs/dbraw/zinc/79/57/11/346795711.db2.gz VMWBEERAPVPGJV-ZWNOBZJWSA-N 1 0 292.339 2.151 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336817722 365861477 /nfs/dbraw/zinc/86/14/77/365861477.db2.gz RONRTQFKPXHWDH-CYBMUJFWSA-N 1 0 270.304 2.231 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])n1 ZINC000602718348 347168171 /nfs/dbraw/zinc/16/81/71/347168171.db2.gz NFKZDCAEOMWYDR-LBPRGKRZSA-N 1 0 278.356 2.340 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccco1 ZINC000602769210 347190600 /nfs/dbraw/zinc/19/06/00/347190600.db2.gz OGJVWFHHNFPILV-SNVBAGLBSA-N 1 0 278.312 2.386 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602796646 347203043 /nfs/dbraw/zinc/20/30/43/347203043.db2.gz CDGDBOJSGDCCSJ-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1cnc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602811930 347209055 /nfs/dbraw/zinc/20/90/55/347209055.db2.gz ZXDXTQULKMBFSM-SECBINFHSA-N 1 0 295.368 2.215 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000602813164 347210081 /nfs/dbraw/zinc/21/00/81/347210081.db2.gz GBBNRZKZFFZGIT-CYBMUJFWSA-N 1 0 280.372 2.468 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813978 347211122 /nfs/dbraw/zinc/21/11/22/347211122.db2.gz AYUUVLXCUWWVKP-OUAUKWLOSA-N 1 0 266.345 2.195 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1COC1 ZINC000602723732 347171780 /nfs/dbraw/zinc/17/17/80/347171780.db2.gz IMXIHXHDPWNDCJ-UHFFFAOYSA-N 1 0 290.241 2.350 20 5 CEBDRO CC(C)OCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965465 347258383 /nfs/dbraw/zinc/25/83/83/347258383.db2.gz GIQAJQXWDXKPBY-HNNXBMFYSA-N 1 0 296.367 2.207 20 5 CEBDRO Cc1nn(CCC[NH+]2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603329579 347339701 /nfs/dbraw/zinc/33/97/01/347339701.db2.gz WXHZUYHTKITZKT-UHFFFAOYSA-N 1 0 289.339 2.134 20 5 CEBDRO CCc1nn(C)c(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC000603405979 347361601 /nfs/dbraw/zinc/36/16/01/347361601.db2.gz JUCYJTKCGCHYND-WDEREUQCSA-N 1 0 295.387 2.031 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000610732842 347707772 /nfs/dbraw/zinc/70/77/72/347707772.db2.gz SBLHAYNMFZVDIW-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[N@@H+]1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611084504 347737219 /nfs/dbraw/zinc/73/72/19/347737219.db2.gz BWZMKAMUKFXCSI-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084675 347737235 /nfs/dbraw/zinc/73/72/35/347737235.db2.gz IYLCFMBTVZVPTL-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000611116260 347740943 /nfs/dbraw/zinc/74/09/43/347740943.db2.gz NBWMIEPRYZGZTP-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611222048 347753353 /nfs/dbraw/zinc/75/33/53/347753353.db2.gz SDCODHVATUZIRE-NWDGAFQWSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000611617202 347799848 /nfs/dbraw/zinc/79/98/48/347799848.db2.gz PGWRRZAXHDIURI-UHFFFAOYSA-N 1 0 290.367 2.327 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131942443 297250122 /nfs/dbraw/zinc/25/01/22/297250122.db2.gz FDXFGZDTYJHQIF-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000339368538 215127925 /nfs/dbraw/zinc/12/79/25/215127925.db2.gz WIAHOHUAZDJLKU-JTQLQIEISA-N 1 0 291.311 2.273 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000273377761 192132259 /nfs/dbraw/zinc/13/22/59/192132259.db2.gz HDKYINPRFVBGJV-YPMHNXCESA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1c(CN[C@H](C)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339394 233176045 /nfs/dbraw/zinc/17/60/45/233176045.db2.gz GITLJDFOKVPLOZ-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3c(O)cccc23)c1 ZINC000619485781 349187507 /nfs/dbraw/zinc/18/75/07/349187507.db2.gz GJLQSGQBQJPFMP-UHFFFAOYSA-N 1 0 299.290 2.157 20 5 CEBDRO CCC(CC)(CC)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554679 180002586 /nfs/dbraw/zinc/00/25/86/180002586.db2.gz VLMRDVTTYAIYER-UHFFFAOYSA-N 1 0 281.356 2.315 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691971 180024903 /nfs/dbraw/zinc/02/49/03/180024903.db2.gz HXUXWPANNXTTCS-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO C[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720991 180031547 /nfs/dbraw/zinc/03/15/47/180031547.db2.gz GIDRIXQCXJHTJO-AAEUAGOBSA-N 1 0 263.341 2.167 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000104530831 186008948 /nfs/dbraw/zinc/00/89/48/186008948.db2.gz NMZFEKXONRQXTI-UHFFFAOYSA-N 1 0 299.396 2.379 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720504 180030038 /nfs/dbraw/zinc/03/00/38/180030038.db2.gz CXASYQGXAZKBDH-OCCSQVGLSA-N 1 0 277.368 2.476 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+](CC)CC ZINC000091555630 180190536 /nfs/dbraw/zinc/19/05/36/180190536.db2.gz KAOSREWKQKXADY-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412084753 233334953 /nfs/dbraw/zinc/33/49/53/233334953.db2.gz QSZAVSSMKGJAJB-AAEUAGOBSA-N 1 0 264.325 2.188 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000091550286 180189151 /nfs/dbraw/zinc/18/91/51/180189151.db2.gz DRLLCTDNDMHRGC-VXGBXAGGSA-N 1 0 293.371 2.158 20 5 CEBDRO C[NH+]1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105454813 186058211 /nfs/dbraw/zinc/05/82/11/186058211.db2.gz WAKSVYHZMARPQA-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069000774 362952617 /nfs/dbraw/zinc/95/26/17/362952617.db2.gz CCPICGISFDPUDY-JTQLQIEISA-N 1 0 294.311 2.398 20 5 CEBDRO Cc1ccc(C(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000091845132 180270225 /nfs/dbraw/zinc/27/02/25/180270225.db2.gz KSVORHNTBHRACJ-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091957391 180292359 /nfs/dbraw/zinc/29/23/59/180292359.db2.gz VFJPOZJGHMBNDY-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794606 186071938 /nfs/dbraw/zinc/07/19/38/186071938.db2.gz MZAVKFHSCOUKTO-LLVKDONJSA-N 1 0 289.339 2.367 20 5 CEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000339713245 215312094 /nfs/dbraw/zinc/31/20/94/215312094.db2.gz VLJHFTXCKLDXSO-STQMWFEESA-N 1 0 278.356 2.302 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130589898 365971173 /nfs/dbraw/zinc/97/11/73/365971173.db2.gz SPUPBFFHGOLPPS-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000092567461 180406184 /nfs/dbraw/zinc/40/61/84/180406184.db2.gz APZFFUAFYFCCJK-NEPJUHHUSA-N 1 0 266.345 2.207 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000110792213 186324947 /nfs/dbraw/zinc/32/49/47/186324947.db2.gz IHJXMQXXKTYAMZ-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO CC(C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112204763 186474601 /nfs/dbraw/zinc/47/46/01/186474601.db2.gz CSCNPUISDLRFKV-UHFFFAOYSA-N 1 0 274.324 2.493 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000122827578 187054397 /nfs/dbraw/zinc/05/43/97/187054397.db2.gz LUCMONSOIVSWGF-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000070575717 363096943 /nfs/dbraw/zinc/09/69/43/363096943.db2.gz MYKOYTNTPKOVRJ-UHTWSYAYSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000123444149 187092306 /nfs/dbraw/zinc/09/23/06/187092306.db2.gz UBBILADABXMWBH-ZJUUUORDSA-N 1 0 297.380 2.211 20 5 CEBDRO CCC[NH+](CCC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000072591411 363149546 /nfs/dbraw/zinc/14/95/46/363149546.db2.gz GONJTZCZYSAHTE-CQSZACIVSA-N 1 0 296.367 2.457 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000292212349 198204155 /nfs/dbraw/zinc/20/41/55/198204155.db2.gz UFPNPAJTKBCGSJ-CYBMUJFWSA-N 1 0 281.381 2.184 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000569337806 299196391 /nfs/dbraw/zinc/19/63/91/299196391.db2.gz VAZGGTDFHNXJIY-NSHDSACASA-N 1 0 282.340 2.065 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000292378334 198265151 /nfs/dbraw/zinc/26/51/51/198265151.db2.gz JIVJCUQOSGDZKC-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000157176314 188302517 /nfs/dbraw/zinc/30/25/17/188302517.db2.gz ZHZHFGBEIUUMPG-NSHDSACASA-N 1 0 297.380 2.030 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157314070 188310215 /nfs/dbraw/zinc/31/02/15/188310215.db2.gz ILVKJDNDJZJYGP-LLVKDONJSA-N 1 0 252.318 2.056 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)o2)c1 ZINC000157670057 188331233 /nfs/dbraw/zinc/33/12/33/188331233.db2.gz FOMGTUDZHUYRQI-ZDUSSCGKSA-N 1 0 288.303 2.421 20 5 CEBDRO CCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158327202 188370241 /nfs/dbraw/zinc/37/02/41/188370241.db2.gz QXGOZJLEDUSDQV-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO COc1cc(N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000569461933 299204343 /nfs/dbraw/zinc/20/43/43/299204343.db2.gz OMAXSGPBCUPNMC-UHFFFAOYSA-N 1 0 291.351 2.183 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131942238 366103068 /nfs/dbraw/zinc/10/30/68/366103068.db2.gz FDXFGZDTYJHQIF-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708148 191285836 /nfs/dbraw/zinc/28/58/36/191285836.db2.gz IOPVUSDFWFJBIJ-WDEREUQCSA-N 1 0 278.308 2.199 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000133236597 366207164 /nfs/dbraw/zinc/20/71/64/366207164.db2.gz CINKIUSCINFYJL-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553181 283032140 /nfs/dbraw/zinc/03/21/40/283032140.db2.gz XSFLUQPNQBVAEP-YPMHNXCESA-N 1 0 264.325 2.155 20 5 CEBDRO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740798 363380530 /nfs/dbraw/zinc/38/05/30/363380530.db2.gz GRZRIPIMQHGAQY-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000075948982 363498871 /nfs/dbraw/zinc/49/88/71/363498871.db2.gz QEAXDOFTNIAJJY-AWEZNQCLSA-N 1 0 294.351 2.080 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134352583 366312670 /nfs/dbraw/zinc/31/26/70/366312670.db2.gz LKLRNSHPUSWXOK-SECBINFHSA-N 1 0 253.277 2.098 20 5 CEBDRO COc1cccc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000134913286 366372555 /nfs/dbraw/zinc/37/25/55/366372555.db2.gz LVNWEGCGDLXXDY-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO COc1cccc(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000134917303 366372923 /nfs/dbraw/zinc/37/29/23/366372923.db2.gz NICMSHYELDOVSC-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO COc1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928274 366375823 /nfs/dbraw/zinc/37/58/23/366375823.db2.gz DZFZVQPTMAAKPZ-MNOVXSKESA-N 1 0 279.340 2.498 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CCCO ZINC000294884338 199229737 /nfs/dbraw/zinc/22/97/37/199229737.db2.gz VVIZAJKBECAWLW-GFCCVEGCSA-N 1 0 296.367 2.492 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136250862 366505497 /nfs/dbraw/zinc/50/54/97/366505497.db2.gz SPMWIZHRNQCJCV-CYBMUJFWSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1nn(C)c(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000338757125 366506036 /nfs/dbraw/zinc/50/60/36/366506036.db2.gz OAZLRPKEMNHXFT-UHFFFAOYSA-N 1 0 295.387 2.315 20 5 CEBDRO CC[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000338765631 366510334 /nfs/dbraw/zinc/51/03/34/366510334.db2.gz DHCJVAPPHVAHCQ-UHFFFAOYSA-N 1 0 285.369 2.116 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996266 363694325 /nfs/dbraw/zinc/69/43/25/363694325.db2.gz VMQWSDYBPUMTQY-ZDUSSCGKSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1c([N+](=O)[O-])ncn1C ZINC000339034918 366624831 /nfs/dbraw/zinc/62/48/31/366624831.db2.gz SZNISMRRTODEDX-GFCCVEGCSA-N 1 0 295.387 2.395 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000089091239 283516447 /nfs/dbraw/zinc/51/64/47/283516447.db2.gz RLGVWFYFGAPQSP-LDYMZIIASA-N 1 0 297.742 2.105 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000177025798 189022139 /nfs/dbraw/zinc/02/21/39/189022139.db2.gz BYCOVCZXSVSKQA-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO COCC(COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453364940 283538588 /nfs/dbraw/zinc/53/85/88/283538588.db2.gz WMUVKUWJIDPZNV-LLVKDONJSA-N 1 0 282.340 2.215 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177219796 189037724 /nfs/dbraw/zinc/03/77/24/189037724.db2.gz KWERVXCVEKRYKS-SNVBAGLBSA-N 1 0 291.351 2.314 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178360842 189110269 /nfs/dbraw/zinc/11/02/69/189110269.db2.gz OVOOOAXVMVFDDS-VIFPVBQESA-N 1 0 256.327 2.125 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342219909 216268008 /nfs/dbraw/zinc/26/80/08/216268008.db2.gz SCMMDFGVYPWLKJ-VSKVDJIOSA-N 1 0 278.352 2.462 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342235521 216273872 /nfs/dbraw/zinc/27/38/72/216273872.db2.gz QOVFAGKRLHIOKB-NSHDSACASA-N 1 0 270.304 2.088 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000181560223 189300481 /nfs/dbraw/zinc/30/04/81/189300481.db2.gz QKWCJUYTHZNGLH-CYBMUJFWSA-N 1 0 264.325 2.418 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000301452936 201014184 /nfs/dbraw/zinc/01/41/84/201014184.db2.gz XZNDXZAFLFIDLT-WCQYABFASA-N 1 0 278.356 2.156 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCOC1 ZINC000342309862 216302762 /nfs/dbraw/zinc/30/27/62/216302762.db2.gz HUWQXZNASULERJ-RJNRQISESA-N 1 0 262.309 2.377 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342327519 216311207 /nfs/dbraw/zinc/31/12/07/216311207.db2.gz AXQHCMUUAIKLGO-DTWKUNHWSA-N 1 0 256.277 2.247 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000301613624 201098140 /nfs/dbraw/zinc/09/81/40/201098140.db2.gz UBRIMLWTHNNLHN-GFCCVEGCSA-N 1 0 295.387 2.027 20 5 CEBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCCCC1 ZINC000183166147 189348175 /nfs/dbraw/zinc/34/81/75/189348175.db2.gz NAUYUOBWBNILJE-NSHDSACASA-N 1 0 295.339 2.182 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000183451242 189359254 /nfs/dbraw/zinc/35/92/54/189359254.db2.gz SKFMENSNFXOGPG-LBPRGKRZSA-N 1 0 264.325 2.419 20 5 CEBDRO O=C(NCCC[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000017742393 361511265 /nfs/dbraw/zinc/51/12/65/361511265.db2.gz GCZKVYPUBQKIPI-UHFFFAOYSA-N 1 0 292.339 2.202 20 5 CEBDRO Cc1nc(NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302153360 201369627 /nfs/dbraw/zinc/36/96/27/201369627.db2.gz MLVFWAWMEMGIAO-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000086699409 363837556 /nfs/dbraw/zinc/83/75/56/363837556.db2.gz LUBMLZIAPISSKU-ZDUSSCGKSA-N 1 0 282.340 2.364 20 5 CEBDRO COC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000086699997 363837807 /nfs/dbraw/zinc/83/78/07/363837807.db2.gz CUQRZNHTJGSQML-CYBMUJFWSA-N 1 0 266.341 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000088147797 363879376 /nfs/dbraw/zinc/87/93/76/363879376.db2.gz NKTPMQHRYKBGOY-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000089935723 364018988 /nfs/dbraw/zinc/01/89/88/364018988.db2.gz KHUXEPQKLIHACL-LBPRGKRZSA-N 1 0 282.365 2.411 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000090795389 364065579 /nfs/dbraw/zinc/06/55/79/364065579.db2.gz OGHOLTIOHHYWBC-QWRGUYRKSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237491809 370726655 /nfs/dbraw/zinc/72/66/55/370726655.db2.gz KJHSJJBAWDILGL-LLVKDONJSA-N 1 0 291.351 2.352 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000238143212 370771477 /nfs/dbraw/zinc/77/14/77/370771477.db2.gz HDGCUGOUHGUMKY-INIZCTEOSA-N 1 0 286.331 2.288 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000094371411 364271813 /nfs/dbraw/zinc/27/18/13/364271813.db2.gz VOYKYMSEIRQPND-DZGCQCFKSA-N 1 0 292.335 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000189962551 189550575 /nfs/dbraw/zinc/55/05/75/189550575.db2.gz JPLUTTIEDBNDKV-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771840 364294129 /nfs/dbraw/zinc/29/41/29/364294129.db2.gz PSCGSSSSJGLMJS-SNVBAGLBSA-N 1 0 289.339 2.225 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000094953777 364314554 /nfs/dbraw/zinc/31/45/54/364314554.db2.gz BNFAMUBPCJFTBY-NSHDSACASA-N 1 0 282.340 2.102 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156800318 366838040 /nfs/dbraw/zinc/83/80/40/366838040.db2.gz RJLUHDSYDJBSFL-KCJUWKMLSA-N 1 0 297.380 2.164 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000340307401 366842975 /nfs/dbraw/zinc/84/29/75/366842975.db2.gz ZAOWHJFLZWPYKD-ZDUSSCGKSA-N 1 0 278.356 2.494 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000103116856 364627400 /nfs/dbraw/zinc/62/74/00/364627400.db2.gz OLJKSKCUQSEHGT-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380313 364802041 /nfs/dbraw/zinc/80/20/41/364802041.db2.gz XOQXKNYERAOXMJ-XHDPSFHLSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000112675132 364825307 /nfs/dbraw/zinc/82/53/07/364825307.db2.gz OFVWDVAMVAQTBO-UHFFFAOYSA-N 1 0 252.314 2.188 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(CO)CC1 ZINC000275380427 193014465 /nfs/dbraw/zinc/01/44/65/193014465.db2.gz AYNDSYZRWIJLMM-NSHDSACASA-N 1 0 264.325 2.360 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000118888038 365188840 /nfs/dbraw/zinc/18/88/40/365188840.db2.gz JBBDACGOCGALHR-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119018891 365200983 /nfs/dbraw/zinc/20/09/83/365200983.db2.gz ALNQUDWNOJKBPY-SWLSCSKDSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1c(C[N@@H+](C)C2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000120117940 365373817 /nfs/dbraw/zinc/37/38/17/365373817.db2.gz KAKDGVOLPYTTQZ-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000120736756 365467512 /nfs/dbraw/zinc/46/75/12/365467512.db2.gz NBNGMBGDEJZNCC-UWVGGRQHSA-N 1 0 297.380 2.069 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000159238397 366893102 /nfs/dbraw/zinc/89/31/02/366893102.db2.gz ZWZWNKPNELWPOF-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000583368294 367038568 /nfs/dbraw/zinc/03/85/68/367038568.db2.gz HJQLJKVKMCCQIV-LLVKDONJSA-N 1 0 294.330 2.051 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000340969593 367113015 /nfs/dbraw/zinc/11/30/15/367113015.db2.gz NGFVNRZQNVEFGA-LLVKDONJSA-N 1 0 295.387 2.177 20 5 CEBDRO CCC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583793345 367096709 /nfs/dbraw/zinc/09/67/09/367096709.db2.gz JBHVTAJVWYXRIJ-LBPRGKRZSA-N 1 0 264.325 2.114 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000162614192 367173905 /nfs/dbraw/zinc/17/39/05/367173905.db2.gz YFOPXYJQSAYTGJ-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000341126930 367184990 /nfs/dbraw/zinc/18/49/90/367184990.db2.gz RMYFJIZIQGUMRE-LLVKDONJSA-N 1 0 280.372 2.252 20 5 CEBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000162864408 367198022 /nfs/dbraw/zinc/19/80/22/367198022.db2.gz QXNZPQOZKVCYQA-ZJUUUORDSA-N 1 0 284.743 2.451 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601155459 367215510 /nfs/dbraw/zinc/21/55/10/367215510.db2.gz IYUKTMWENAHYOV-NSHDSACASA-N 1 0 282.319 2.049 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000168205506 367350384 /nfs/dbraw/zinc/35/03/84/367350384.db2.gz WAAWQSXNZCRYCY-ASCAZGACSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166136468 367317931 /nfs/dbraw/zinc/31/79/31/367317931.db2.gz RYFADAIQAUEHKS-MWLCHTKSSA-N 1 0 295.295 2.018 20 5 CEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166368138 367320586 /nfs/dbraw/zinc/32/05/86/367320586.db2.gz MAAJAZWLRHNHRD-XUJVJEKNSA-N 1 0 294.351 2.439 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000171143245 367487008 /nfs/dbraw/zinc/48/70/08/367487008.db2.gz PAZQWCNDFTYXTP-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000171688446 367592820 /nfs/dbraw/zinc/59/28/20/367592820.db2.gz HLAPVRAVDQKHBB-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000245951213 370893769 /nfs/dbraw/zinc/89/37/69/370893769.db2.gz SPFFYSATAKRKDK-GHMZBOCLSA-N 1 0 291.351 2.172 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000343973296 368098266 /nfs/dbraw/zinc/09/82/66/368098266.db2.gz QGXRIEHZLLPHCZ-LBPRGKRZSA-N 1 0 278.356 2.006 20 5 CEBDRO Cc1csc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)n1 ZINC000176247791 368216964 /nfs/dbraw/zinc/21/69/64/368216964.db2.gz LMFSILPXULNOSK-UHFFFAOYSA-N 1 0 295.368 2.081 20 5 CEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(C)noc1C ZINC000182408001 368560053 /nfs/dbraw/zinc/56/00/53/368560053.db2.gz BQVYUDHPXKBMEH-NSHDSACASA-N 1 0 293.327 2.137 20 5 CEBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000182644706 368574875 /nfs/dbraw/zinc/57/48/75/368574875.db2.gz UKKAUNAONYXFTM-NSHDSACASA-N 1 0 280.324 2.368 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000185381124 368801318 /nfs/dbraw/zinc/80/13/18/368801318.db2.gz CMRARXWMEFWWGF-JTQLQIEISA-N 1 0 266.297 2.008 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000348273088 368979345 /nfs/dbraw/zinc/97/93/45/368979345.db2.gz SDOGGOKQCLHAII-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186524407 368989149 /nfs/dbraw/zinc/98/91/49/368989149.db2.gz OEADFENZAQIBTF-VIFPVBQESA-N 1 0 290.266 2.057 20 5 CEBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348672799 369118209 /nfs/dbraw/zinc/11/82/09/369118209.db2.gz NAEXNSUVAOKQFV-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188013887 369276239 /nfs/dbraw/zinc/27/62/39/369276239.db2.gz SNTMKDSVXPOIPZ-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000188673434 369392660 /nfs/dbraw/zinc/39/26/60/369392660.db2.gz MWCDABUKFBNXSH-UHFFFAOYSA-N 1 0 298.726 2.291 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474207 369362317 /nfs/dbraw/zinc/36/23/17/369362317.db2.gz LXGNTFWDDGNCKR-RYUDHWBXSA-N 1 0 293.367 2.421 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000350087080 369501795 /nfs/dbraw/zinc/50/17/95/369501795.db2.gz DCGHCVMGTNLEDS-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000168638693 296146187 /nfs/dbraw/zinc/14/61/87/296146187.db2.gz NKGBYYITPMPSHO-WDEREUQCSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000189694240 369560380 /nfs/dbraw/zinc/56/03/80/369560380.db2.gz MCAKGBXKBZKDFQ-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000189925407 369580282 /nfs/dbraw/zinc/58/02/82/369580282.db2.gz AULLBCIHDVFWPC-STQMWFEESA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCCO ZINC000276336375 193290471 /nfs/dbraw/zinc/29/04/71/193290471.db2.gz GMOJGXZSVMMRLF-NSHDSACASA-N 1 0 252.314 2.360 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366434 369693293 /nfs/dbraw/zinc/69/32/93/369693293.db2.gz FJGOHPQCYUQFLX-UHFFFAOYSA-N 1 0 288.351 2.365 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352380069 369700096 /nfs/dbraw/zinc/70/00/96/369700096.db2.gz XNZLLRAHLYSSEA-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)CC1CC1 ZINC000352469112 369744990 /nfs/dbraw/zinc/74/49/90/369744990.db2.gz WFVVVJGTVDXLQM-UHFFFAOYSA-N 1 0 284.743 2.453 20 5 CEBDRO Cc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352539969 369777546 /nfs/dbraw/zinc/77/75/46/369777546.db2.gz FRROZFPUYWYZBZ-INIZCTEOSA-N 1 0 289.379 2.479 20 5 CEBDRO Cc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000352544290 369780224 /nfs/dbraw/zinc/78/02/24/369780224.db2.gz PQEWWEZHVHHRFX-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352768208 369875150 /nfs/dbraw/zinc/87/51/50/369875150.db2.gz GJLONAAQRPMAMM-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352880861 369928335 /nfs/dbraw/zinc/92/83/35/369928335.db2.gz IRLCCHYBCNXHEC-CYBMUJFWSA-N 1 0 270.304 2.231 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000353084981 370012069 /nfs/dbraw/zinc/01/20/69/370012069.db2.gz JZEJRTULQVVPBA-UHFFFAOYSA-N 1 0 279.271 2.363 20 5 CEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194813508 370076377 /nfs/dbraw/zinc/07/63/77/370076377.db2.gz SUUJEQLQWLWQNL-UHFFFAOYSA-N 1 0 297.380 2.259 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217630138 370198871 /nfs/dbraw/zinc/19/88/71/370198871.db2.gz STYRGFOZNTZSDC-CABCVRRESA-N 1 0 275.352 2.311 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000230668638 370463562 /nfs/dbraw/zinc/46/35/62/370463562.db2.gz DTBXDDGKPFAHOV-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000235708516 370574567 /nfs/dbraw/zinc/57/45/67/370574567.db2.gz XDQBJRAKDOTENL-ONGXEEELSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235726521 370576089 /nfs/dbraw/zinc/57/60/89/370576089.db2.gz XMFOPKZCOISDIN-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC2)cccc1[N+](=O)[O-] ZINC000358342059 371023939 /nfs/dbraw/zinc/02/39/39/371023939.db2.gz PIQXNKLTTGJOLJ-GFCCVEGCSA-N 1 0 263.341 2.260 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000247557987 371125805 /nfs/dbraw/zinc/12/58/05/371125805.db2.gz ZINYUUHTNAKCBK-GXSJLCMTSA-N 1 0 297.380 2.069 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000235509413 189828915 /nfs/dbraw/zinc/82/89/15/189828915.db2.gz VWKUEASCUSTJDP-MISXGVKJSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCOCC2)n1 ZINC000331887563 204264036 /nfs/dbraw/zinc/26/40/36/204264036.db2.gz JOCVYRCUXJWEHS-CHWSQXEVSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000248944374 371271685 /nfs/dbraw/zinc/27/16/85/371271685.db2.gz CCOBWTFAOAZSSL-PTEHBNRSSA-N 1 0 264.325 2.329 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250458188 371384651 /nfs/dbraw/zinc/38/46/51/371384651.db2.gz TWPXFLLOOPDRBN-NEPJUHHUSA-N 1 0 293.371 2.158 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252760988 371476865 /nfs/dbraw/zinc/47/68/65/371476865.db2.gz MOFUKNHLBDQGBQ-OUAUKWLOSA-N 1 0 252.314 2.405 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360996280 371589477 /nfs/dbraw/zinc/58/94/77/371589477.db2.gz RNOXFGBZOKLUPI-CMPLNLGQSA-N 1 0 295.387 2.039 20 5 CEBDRO CCOc1cccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261598250 371671064 /nfs/dbraw/zinc/67/10/64/371671064.db2.gz AWBVJFJRMHAZOB-NWDGAFQWSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261712658 371708641 /nfs/dbraw/zinc/70/86/41/371708641.db2.gz JNTHPABOQKNFSC-UXIGCNINSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778532 371727904 /nfs/dbraw/zinc/72/79/04/371727904.db2.gz PIMLVSPVIQUPFE-DOMZBBRYSA-N 1 0 275.352 2.341 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261661368 371695401 /nfs/dbraw/zinc/69/54/01/371695401.db2.gz KPELBLXTTJXDKX-NSHDSACASA-N 1 0 295.387 2.310 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262281125 371845975 /nfs/dbraw/zinc/84/59/75/371845975.db2.gz UPSRRTGSRWSZQK-MRXNPFEDSA-N 1 0 298.346 2.136 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CC2CC2)C2CCC2)c1 ZINC000361573069 371936886 /nfs/dbraw/zinc/93/68/86/371936886.db2.gz XDHQMRGTNLYZFN-UHFFFAOYSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268533354 372129595 /nfs/dbraw/zinc/12/95/95/372129595.db2.gz XSCGYYOPIREENO-SNVBAGLBSA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802134 372228240 /nfs/dbraw/zinc/22/82/40/372228240.db2.gz BIPHFWYWUMDDBN-ONGXEEELSA-N 1 0 252.314 2.182 20 5 CEBDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268938316 372296310 /nfs/dbraw/zinc/29/63/10/372296310.db2.gz SJSXMVCWYAGICJ-LLVKDONJSA-N 1 0 291.351 2.291 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903734 372280883 /nfs/dbraw/zinc/28/08/83/372280883.db2.gz GJRHDIYSIKYAPQ-BXUZGUMPSA-N 1 0 296.392 2.422 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353143 217165007 /nfs/dbraw/zinc/16/50/07/217165007.db2.gz JJTCTEYQMGRRHC-KOLCDFICSA-N 1 0 269.370 2.229 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344343439 217161149 /nfs/dbraw/zinc/16/11/49/217161149.db2.gz CNWNACPQRAOKBC-TZMCWYRMSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692215 372535694 /nfs/dbraw/zinc/53/56/94/372535694.db2.gz IVWPCZOOXDLFGR-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000270163900 372684623 /nfs/dbraw/zinc/68/46/23/372684623.db2.gz JZPPSSSZJVHCBU-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO COCC1(O)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270391746 372767706 /nfs/dbraw/zinc/76/77/06/372767706.db2.gz SNYBJWVYFFPBAN-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353438774 220083639 /nfs/dbraw/zinc/08/36/39/220083639.db2.gz VNLBVZBSCXIZED-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000365563699 372894726 /nfs/dbraw/zinc/89/47/26/372894726.db2.gz UFXMTUKKKQJESL-LBPRGKRZSA-N 1 0 262.309 2.063 20 5 CEBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271027191 373077880 /nfs/dbraw/zinc/07/78/80/373077880.db2.gz KJRPMOZQMHIZIJ-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO CC(=O)NCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344840604 217328116 /nfs/dbraw/zinc/32/81/16/217328116.db2.gz FWFQUEOEBYNUJA-FMIVXFBMSA-N 1 0 291.351 2.114 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1ccnc1 ZINC000344856994 217334869 /nfs/dbraw/zinc/33/48/69/217334869.db2.gz FPCXXEUPYATGHT-LCYFTJDESA-N 1 0 286.335 2.484 20 5 CEBDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000272080258 373294778 /nfs/dbraw/zinc/29/47/78/373294778.db2.gz QYXOMAPIJFXYKE-CQSZACIVSA-N 1 0 278.352 2.482 20 5 CEBDRO CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272129804 373320907 /nfs/dbraw/zinc/32/09/07/373320907.db2.gz RXGWGBLZKCWNQC-ZYHUDNBSSA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353589010 220177627 /nfs/dbraw/zinc/17/76/27/220177627.db2.gz FKHWSDCZVNRQLT-SCXUMTSISA-N 1 0 275.352 2.244 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000369102625 373334682 /nfs/dbraw/zinc/33/46/82/373334682.db2.gz VBITUBYBQJTLSG-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(CO)CC2)c1 ZINC000344958336 217369758 /nfs/dbraw/zinc/36/97/58/217369758.db2.gz RMVNYGUAXGPRAT-UHFFFAOYSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272515620 373527868 /nfs/dbraw/zinc/52/78/68/373527868.db2.gz GTRMKUMYXLAOKE-GMXVVIOVSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000369676983 373485357 /nfs/dbraw/zinc/48/53/57/373485357.db2.gz ULNKEAWNJWQOGY-SWLSCSKDSA-N 1 0 292.335 2.084 20 5 CEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000272749418 373641710 /nfs/dbraw/zinc/64/17/10/373641710.db2.gz DTFZAEKWKBGOOQ-JTQLQIEISA-N 1 0 262.313 2.052 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000289529232 197390867 /nfs/dbraw/zinc/39/08/67/197390867.db2.gz MWOADTZMGDOQAG-AWEZNQCLSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372854599 374212751 /nfs/dbraw/zinc/21/27/51/374212751.db2.gz CSUFSJUNPISFHD-UKRRQHHQSA-N 1 0 276.336 2.360 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277015864 374378719 /nfs/dbraw/zinc/37/87/19/374378719.db2.gz YXMZZOPTIBELTI-UHFFFAOYSA-N 1 0 252.314 2.357 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000277484634 374537478 /nfs/dbraw/zinc/53/74/78/374537478.db2.gz CRWXMXDYPVAOHE-UHFFFAOYSA-N 1 0 284.335 2.460 20 5 CEBDRO C[C@H]1COCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000374366120 374553135 /nfs/dbraw/zinc/55/31/35/374553135.db2.gz MZGPHUKRTXBTDC-LLVKDONJSA-N 1 0 250.298 2.063 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000376727626 374723159 /nfs/dbraw/zinc/72/31/59/374723159.db2.gz FPIQXVAMZROTNJ-UHFFFAOYSA-N 1 0 286.335 2.417 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279936698 375036699 /nfs/dbraw/zinc/03/66/99/375036699.db2.gz YNLZFRAEDBOFJE-CYBMUJFWSA-N 1 0 294.351 2.244 20 5 CEBDRO C[S@](=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000280523488 375232106 /nfs/dbraw/zinc/23/21/06/375232106.db2.gz BFSDISXWEYHDFN-SFHVURJKSA-N 1 0 288.394 2.047 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000393979079 375326678 /nfs/dbraw/zinc/32/66/78/375326678.db2.gz JNZDUHDUAFMTTN-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509215 375501556 /nfs/dbraw/zinc/50/15/56/375501556.db2.gz YSMOJAYVOKDXGM-PRWKNARSSA-N 1 0 296.392 2.465 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000282525979 375508084 /nfs/dbraw/zinc/50/80/84/375508084.db2.gz PXTXHVLAXBGTKP-HAQNSBGRSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851284 375594198 /nfs/dbraw/zinc/59/41/98/375594198.db2.gz UCYJKMHOZWLWLF-GHMZBOCLSA-N 1 0 297.330 2.028 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283939982 375784697 /nfs/dbraw/zinc/78/46/97/375784697.db2.gz FJLSDFMIFJYSPS-MRCXROJRSA-N 1 0 279.340 2.131 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155792 375818802 /nfs/dbraw/zinc/81/88/02/375818802.db2.gz PNMGVXQLTZRINB-UWVGGRQHSA-N 1 0 267.329 2.110 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000414649637 375898902 /nfs/dbraw/zinc/89/89/02/375898902.db2.gz AEICMJOVEJNOAL-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000414654495 375902920 /nfs/dbraw/zinc/90/29/20/375902920.db2.gz GCZRBPNJCMPAEC-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@H]2CC(F)F)cc1 ZINC000286484526 375969388 /nfs/dbraw/zinc/96/93/88/375969388.db2.gz OPBXQSMTCKELKG-GFCCVEGCSA-N 1 0 286.278 2.451 20 5 CEBDRO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347492 375921593 /nfs/dbraw/zinc/92/15/93/375921593.db2.gz XQWMOKGMMXOVLB-SMDDNHRTSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414702920 375929690 /nfs/dbraw/zinc/92/96/90/375929690.db2.gz MAUNPXZJFNOEAE-MWLCHTKSSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCCC[NH2+]C1 ZINC000415066053 376019249 /nfs/dbraw/zinc/01/92/49/376019249.db2.gz INBLNIHRACVACA-VSKVDJIOSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000261748697 190043369 /nfs/dbraw/zinc/04/33/69/190043369.db2.gz SYEJBHZOBHUZMO-GLXFQSAKSA-N 1 0 291.351 2.020 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414804650 375989569 /nfs/dbraw/zinc/98/95/69/375989569.db2.gz OSQKERSTPXLFHC-LBPRGKRZSA-N 1 0 269.732 2.075 20 5 CEBDRO CCC[C@@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000287475513 376242039 /nfs/dbraw/zinc/24/20/39/376242039.db2.gz WQEVQHNTEYFBNN-CQSZACIVSA-N 1 0 289.339 2.354 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262818932 190063337 /nfs/dbraw/zinc/06/33/37/190063337.db2.gz GOMPRTMCYCJCCL-GWCFXTLKSA-N 1 0 291.351 2.028 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000289694524 376449035 /nfs/dbraw/zinc/44/90/35/376449035.db2.gz SSFSFYZAWNJCIN-NEPJUHHUSA-N 1 0 277.324 2.230 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000263803445 190079519 /nfs/dbraw/zinc/07/95/19/190079519.db2.gz ZYBCMHJAJCOZAN-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305814769 376500613 /nfs/dbraw/zinc/50/06/13/376500613.db2.gz JNUFIUFSZLQICG-JSGCOSHPSA-N 1 0 294.351 2.196 20 5 CEBDRO Cn1cc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000263816820 190080169 /nfs/dbraw/zinc/08/01/69/190080169.db2.gz OUYHFMBBHHKRJR-GQCTYLIASA-N 1 0 286.335 2.174 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC000305841594 376516614 /nfs/dbraw/zinc/51/66/14/376516614.db2.gz RHNZCVPFEIBBBK-WDEREUQCSA-N 1 0 252.314 2.277 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[C@H]1CCC[NH2+]C1)CCN2 ZINC000420193862 376604743 /nfs/dbraw/zinc/60/47/43/376604743.db2.gz JCZSFINNBKJHCZ-LLVKDONJSA-N 1 0 290.367 2.364 20 5 CEBDRO [NH3+][C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420136373 376578331 /nfs/dbraw/zinc/57/83/31/376578331.db2.gz CXGNHZDBGRHXDO-SSDOTTSWSA-N 1 0 276.123 2.439 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420152846 376581432 /nfs/dbraw/zinc/58/14/32/376581432.db2.gz ZNJOGMOJVUXJSU-MRVPVSSYSA-N 1 0 289.257 2.459 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000420212968 376618586 /nfs/dbraw/zinc/61/85/86/376618586.db2.gz UQOBQCBDQFFKFQ-GFCCVEGCSA-N 1 0 278.356 2.408 20 5 CEBDRO COc1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000314995948 376790848 /nfs/dbraw/zinc/79/08/48/376790848.db2.gz RXWBBMBNETXPMN-LBPRGKRZSA-N 1 0 295.383 2.422 20 5 CEBDRO CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422950080 376872926 /nfs/dbraw/zinc/87/29/26/376872926.db2.gz VDWZBOPLCSYZGB-OLZOCXBDSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1c([C@H](C)NC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423187706 377100094 /nfs/dbraw/zinc/10/00/94/377100094.db2.gz PELIWOLRVRCMTJ-NSHDSACASA-N 1 0 263.341 2.306 20 5 CEBDRO Cc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232836 377150287 /nfs/dbraw/zinc/15/02/87/377150287.db2.gz ITHZGDDTBBZLLV-AAEUAGOBSA-N 1 0 263.341 2.306 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291357551 377188435 /nfs/dbraw/zinc/18/84/35/377188435.db2.gz YNWDWYLNFHVGLX-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[C@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313389 377242590 /nfs/dbraw/zinc/24/25/90/377242590.db2.gz FRKSBWZTQIVNES-KGLIPLIRSA-N 1 0 263.341 2.373 20 5 CEBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292847129 377311225 /nfs/dbraw/zinc/31/12/25/377311225.db2.gz SWGIQGGGIBCVBD-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1O ZINC000563898898 377316215 /nfs/dbraw/zinc/31/62/15/377316215.db2.gz SRVKNTNYCCSOMR-OUCADQQQSA-N 1 0 262.309 2.085 20 5 CEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331124928 377290821 /nfs/dbraw/zinc/29/08/21/377290821.db2.gz OJOFCTSYKROBNA-QWRGUYRKSA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CC1 ZINC000565001216 377526918 /nfs/dbraw/zinc/52/69/18/377526918.db2.gz WAUGDGNYANHKQY-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO CCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000430923631 377568344 /nfs/dbraw/zinc/56/83/44/377568344.db2.gz FKHIVCXBIUZJNB-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+](C)C ZINC000265614364 190193721 /nfs/dbraw/zinc/19/37/21/190193721.db2.gz IKMFBOVMOGFUAK-AATRIKPKSA-N 1 0 277.324 2.268 20 5 CEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293550673 377623185 /nfs/dbraw/zinc/62/31/85/377623185.db2.gz YZOZCWWYGABEQD-TXEJJXNPSA-N 1 0 263.341 2.119 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000332613630 377646099 /nfs/dbraw/zinc/64/60/99/377646099.db2.gz DQSXSJAGWJEYBO-NSHDSACASA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724706 377691674 /nfs/dbraw/zinc/69/16/74/377691674.db2.gz QZJNYTKORCJFBF-HRLNJXSSSA-N 1 0 275.352 2.420 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000567546164 377836940 /nfs/dbraw/zinc/83/69/40/377836940.db2.gz DBQHGOAWTCRMFO-UHFFFAOYSA-N 1 0 290.319 2.355 20 5 CEBDRO C[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294034989 377879467 /nfs/dbraw/zinc/87/94/67/377879467.db2.gz FSEVGBXFUCDMKM-WDEREUQCSA-N 1 0 280.372 2.025 20 5 CEBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112596 377908857 /nfs/dbraw/zinc/90/88/57/377908857.db2.gz KDDVDQHZQCYFGN-ONGXEEELSA-N 1 0 267.329 2.253 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526952 378112653 /nfs/dbraw/zinc/11/26/53/378112653.db2.gz FJUCRUBEGIRQMM-SCRDCRAPSA-N 1 0 296.371 2.026 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C1CC1 ZINC000449333897 378203531 /nfs/dbraw/zinc/20/35/31/378203531.db2.gz ICJBWOQNWKSWSB-RISCZKNCSA-N 1 0 278.352 2.134 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@H](CC)CO)ccc1[N+](=O)[O-] ZINC000295788910 378304820 /nfs/dbraw/zinc/30/48/20/378304820.db2.gz UWZMIYOZJHFFMM-GFCCVEGCSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296520297 378560910 /nfs/dbraw/zinc/56/09/10/378560910.db2.gz PXFXNLWSXFPSOQ-WDEREUQCSA-N 1 0 281.356 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)cn1 ZINC000450880928 378627712 /nfs/dbraw/zinc/62/77/12/378627712.db2.gz QQWURHLNTBWPCP-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296616928 378593539 /nfs/dbraw/zinc/59/35/39/378593539.db2.gz UMQXPXVNXZWIOV-LBPRGKRZSA-N 1 0 293.371 2.226 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC1(C)C ZINC000450950757 378657929 /nfs/dbraw/zinc/65/79/29/378657929.db2.gz NRUCWAPUCWNVQW-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000298491134 378744114 /nfs/dbraw/zinc/74/41/14/378744114.db2.gz DEKIEZAKGPIUIX-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107144 378710291 /nfs/dbraw/zinc/71/02/91/378710291.db2.gz XYZRKFBPRYRIPO-WFASDCNBSA-N 1 0 296.367 2.421 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000266211862 190240215 /nfs/dbraw/zinc/24/02/15/190240215.db2.gz NGIOAMFLMLNSRC-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000298638048 378785335 /nfs/dbraw/zinc/78/53/35/378785335.db2.gz YNUVTRUVGPZLAN-VIFPVBQESA-N 1 0 291.307 2.021 20 5 CEBDRO Cc1cc(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000298713436 378811272 /nfs/dbraw/zinc/81/12/72/378811272.db2.gz LOGRBOLXMUPKOZ-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222636 190241652 /nfs/dbraw/zinc/24/16/52/190241652.db2.gz IAFSZGJFLVATSZ-RYUDHWBXSA-N 1 0 278.356 2.156 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264594 378847825 /nfs/dbraw/zinc/84/78/25/378847825.db2.gz WGUIMMXQPAWDGY-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397958 378887082 /nfs/dbraw/zinc/88/70/82/378887082.db2.gz KFIXXGXCXQFBJW-XHDPSFHLSA-N 1 0 291.351 2.223 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000278542310 194035025 /nfs/dbraw/zinc/03/50/25/194035025.db2.gz AABVGYJGTDYVLG-KBPBESRZSA-N 1 0 298.314 2.018 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000300421740 379170848 /nfs/dbraw/zinc/17/08/48/379170848.db2.gz BZUCERVLTXVKDE-FZMZJTMJSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347536207 218266255 /nfs/dbraw/zinc/26/62/55/218266255.db2.gz QEOXPJACBYKWPL-JTQLQIEISA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1nn(C)c(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301282080 379244555 /nfs/dbraw/zinc/24/45/55/379244555.db2.gz MYQJDRAVKPVLIO-WDEREUQCSA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N(C)CC[N@H+](C)C1CC1 ZINC000302232051 379338943 /nfs/dbraw/zinc/33/89/43/379338943.db2.gz CKLLKILSFPJRPV-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562323 379394625 /nfs/dbraw/zinc/39/46/25/379394625.db2.gz GEJKZWTXOANWHT-RISCZKNCSA-N 1 0 275.352 2.266 20 5 CEBDRO CN1CCO[C@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597749 379443358 /nfs/dbraw/zinc/44/33/58/379443358.db2.gz MYWSWHQSDKDYIL-JTQLQIEISA-N 1 0 268.338 2.018 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772992 190279606 /nfs/dbraw/zinc/27/96/06/190279606.db2.gz KEFOSBNSPSCILS-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCCO ZINC000267087319 190302851 /nfs/dbraw/zinc/30/28/51/190302851.db2.gz ZUGJYGNGHKLMKR-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305177253 379672776 /nfs/dbraw/zinc/67/27/76/379672776.db2.gz LZWSKRKHTHBEKR-XHDPSFHLSA-N 1 0 278.352 2.496 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457226401 379719787 /nfs/dbraw/zinc/71/97/87/379719787.db2.gz UNUFHYYLTZANQC-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268187018 190384344 /nfs/dbraw/zinc/38/43/44/190384344.db2.gz YLBDKPIKWQWROG-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489393993 380184270 /nfs/dbraw/zinc/18/42/70/380184270.db2.gz CXZYDIDSBYVHRV-SWLSCSKDSA-N 1 0 294.351 2.221 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491863473 380365096 /nfs/dbraw/zinc/36/50/96/380365096.db2.gz CKMHQEVYCXYVGL-ABZNLYFFSA-N 1 0 291.351 2.064 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492326753 380520174 /nfs/dbraw/zinc/52/01/74/380520174.db2.gz XRUJXBARHQMVAL-JXMROGBWSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802125 190434058 /nfs/dbraw/zinc/43/40/58/190434058.db2.gz BIPHFWYWUMDDBN-GXSJLCMTSA-N 1 0 252.314 2.182 20 5 CEBDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223783 194339173 /nfs/dbraw/zinc/33/91/73/194339173.db2.gz IINWHBIAQHYKGF-SMDDNHRTSA-N 1 0 291.351 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000302794093 285119071 /nfs/dbraw/zinc/11/90/71/285119071.db2.gz IAUFYSQBDPQAHN-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000288777749 197163959 /nfs/dbraw/zinc/16/39/59/197163959.db2.gz IZUJSCHQBBRMRX-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000188170660 285238943 /nfs/dbraw/zinc/23/89/43/285238943.db2.gz RXDNMAJZWGRVIJ-CQSZACIVSA-N 1 0 294.351 2.126 20 5 CEBDRO CC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282992678 195764400 /nfs/dbraw/zinc/76/44/00/195764400.db2.gz FAWPAWMGHRQIAF-UHFFFAOYSA-N 1 0 282.315 2.328 20 5 CEBDRO COc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000271105183 135091409 /nfs/dbraw/zinc/09/14/09/135091409.db2.gz REWKDZSPGPSCPC-SNVBAGLBSA-N 1 0 295.314 2.027 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000232839532 394481565 /nfs/dbraw/zinc/48/15/65/394481565.db2.gz WBDHKMHNEHRVTN-GFCCVEGCSA-N 1 0 277.324 2.312 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000413158069 394495282 /nfs/dbraw/zinc/49/52/82/394495282.db2.gz VHDZZOUMOARSDI-MNOVXSKESA-N 1 0 296.346 2.438 20 5 CEBDRO C[C@H](O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000305205163 394500230 /nfs/dbraw/zinc/50/02/30/394500230.db2.gz XQNPJWBFJUMYJP-GXTWGEPZSA-N 1 0 278.352 2.230 20 5 CEBDRO C[NH+](C)C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000421694669 394567693 /nfs/dbraw/zinc/56/76/93/394567693.db2.gz VSURAZIIUZSOIN-UHFFFAOYSA-N 1 0 291.351 2.197 20 5 CEBDRO CON1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000421412498 394527369 /nfs/dbraw/zinc/52/73/69/394527369.db2.gz SUCKFPHFLRLNLW-LBPRGKRZSA-N 1 0 293.367 2.141 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000355793951 394533445 /nfs/dbraw/zinc/53/34/45/394533445.db2.gz YHRMVXBAGHHGPF-JHJVBQTASA-N 1 0 293.367 2.123 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051554727 394556641 /nfs/dbraw/zinc/55/66/41/394556641.db2.gz ZEHFWOZCZDHNTO-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072827473 394599736 /nfs/dbraw/zinc/59/97/36/394599736.db2.gz YYWFDHDKCOKZJN-UHFFFAOYSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C[NH3+])C1 ZINC000261588472 394603589 /nfs/dbraw/zinc/60/35/89/394603589.db2.gz KFOARDJKHVTXBS-FZMZJTMJSA-N 1 0 263.341 2.327 20 5 CEBDRO C[NH2+]CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422731452 394745600 /nfs/dbraw/zinc/74/56/00/394745600.db2.gz LTTCNLZRNGCZMA-UHFFFAOYSA-N 1 0 279.340 2.058 20 5 CEBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000269079300 394711628 /nfs/dbraw/zinc/71/16/28/394711628.db2.gz DLGMQKTUCRVOQO-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H]([NH2+]CCC1OCCCO1)c1ccccc1[N+](=O)[O-] ZINC000271714758 394762370 /nfs/dbraw/zinc/76/23/70/394762370.db2.gz JRIRLTWDFLDLSH-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO [NH3+]C1(CNCc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000414841754 394765926 /nfs/dbraw/zinc/76/59/26/394765926.db2.gz LXXDSMPKGBDJII-UHFFFAOYSA-N 1 0 281.331 2.485 20 5 CEBDRO COc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865149 394777843 /nfs/dbraw/zinc/77/78/43/394777843.db2.gz YYQUVDPMZMDRQD-YPMHNXCESA-N 1 0 293.367 2.081 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CC[NH2+]C3)o2)c1 ZINC000414882915 394786322 /nfs/dbraw/zinc/78/63/22/394786322.db2.gz MZRYJUFUFYEUEN-LBPRGKRZSA-N 1 0 287.319 2.306 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422791870 394788867 /nfs/dbraw/zinc/78/88/67/394788867.db2.gz VLQMEWSLZNUYDU-LBPRGKRZSA-N 1 0 291.351 2.200 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122859812 394819836 /nfs/dbraw/zinc/81/98/36/394819836.db2.gz XVAZGBIMWSAMSG-SMDDNHRTSA-N 1 0 280.324 2.051 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000415052030 394864595 /nfs/dbraw/zinc/86/45/95/394864595.db2.gz GSLNWBGGMVSLGM-GFCCVEGCSA-N 1 0 269.320 2.197 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000415056649 394867284 /nfs/dbraw/zinc/86/72/84/394867284.db2.gz QBFLYESDDUYRHX-VIFPVBQESA-N 1 0 257.359 2.119 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCC[NH2+]C1 ZINC000415066049 394872386 /nfs/dbraw/zinc/87/23/86/394872386.db2.gz INBLNIHRACVACA-DYLGSBMWSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422847928 394826630 /nfs/dbraw/zinc/82/66/30/394826630.db2.gz AESIGOHSGMKERG-WCQYABFASA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422905608 394856943 /nfs/dbraw/zinc/85/69/43/394856943.db2.gz ZIUHLDQYAVIWDJ-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000364164294 394891063 /nfs/dbraw/zinc/89/10/63/394891063.db2.gz AXCQROIRWRYWDI-HZMBPMFUSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139320 394902622 /nfs/dbraw/zinc/90/26/22/394902622.db2.gz ZLLVJCXCXQGENQ-FZMZJTMJSA-N 1 0 277.368 2.320 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415422672 394931013 /nfs/dbraw/zinc/93/10/13/394931013.db2.gz WYJGDDYCTZKPHE-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415451138 394933721 /nfs/dbraw/zinc/93/37/21/394933721.db2.gz ZUQZNHBDQOHWHR-MNOVXSKESA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH2+]CC1 ZINC000415479185 394935885 /nfs/dbraw/zinc/93/58/85/394935885.db2.gz FBOPLGGKSWSYKK-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415509036 394940003 /nfs/dbraw/zinc/94/00/03/394940003.db2.gz VTCNJGJEHPDEQU-JQWIXIFHSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000285960279 394991189 /nfs/dbraw/zinc/99/11/89/394991189.db2.gz ALBCUHKKHWOGNA-LLVKDONJSA-N 1 0 278.356 2.463 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])CC ZINC000423688534 394966312 /nfs/dbraw/zinc/96/63/12/394966312.db2.gz XOJRBXDGKJIKOB-VIFPVBQESA-N 1 0 297.380 2.174 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494408954 395111626 /nfs/dbraw/zinc/11/16/26/395111626.db2.gz FOQWPFOKYHEDCQ-PKXJPQMGSA-N 1 0 298.346 2.409 20 5 CEBDRO Cc1ccc(CNC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291820052 395169107 /nfs/dbraw/zinc/16/91/07/395169107.db2.gz ZBCQRWLNFVWKJL-LLVKDONJSA-N 1 0 265.357 2.191 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)CC[C@@H]1C ZINC000350003346 395177759 /nfs/dbraw/zinc/17/77/59/395177759.db2.gz ADONKDCJYPGHEV-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000351510460 395226898 /nfs/dbraw/zinc/22/68/98/395226898.db2.gz RBEOBELVRXMEAC-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000351925662 395240685 /nfs/dbraw/zinc/24/06/85/395240685.db2.gz FFRFCOCXYNIQBV-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596136 395241816 /nfs/dbraw/zinc/24/18/16/395241816.db2.gz FTEGCNOLFJWCTK-IINYFYTJSA-N 1 0 281.356 2.379 20 5 CEBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596141 395242333 /nfs/dbraw/zinc/24/23/33/395242333.db2.gz FTEGCNOLFJWCTK-YGRLFVJLSA-N 1 0 281.356 2.379 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433791686 395248367 /nfs/dbraw/zinc/24/83/67/395248367.db2.gz JGGAEVQWBKWQON-GFCCVEGCSA-N 1 0 293.371 2.066 20 5 CEBDRO CCn1cncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000418052407 395184967 /nfs/dbraw/zinc/18/49/67/395184967.db2.gz VZPCTBABYGZUPZ-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000418053203 395185155 /nfs/dbraw/zinc/18/51/55/395185155.db2.gz YMOOPSPZWIMAMB-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000396590300 395217612 /nfs/dbraw/zinc/21/76/12/395217612.db2.gz PEUVFDBNUSZYEZ-GFCCVEGCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465722 395300030 /nfs/dbraw/zinc/30/00/30/395300030.db2.gz HPEKJRQACPKYBS-MFKMUULPSA-N 1 0 294.330 2.049 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354011314 395313121 /nfs/dbraw/zinc/31/31/21/395313121.db2.gz ZLNMREGORSCUNP-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@H+](CCCCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000434679336 395321381 /nfs/dbraw/zinc/32/13/81/395321381.db2.gz BWADHLGQKODKBS-UHFFFAOYSA-N 1 0 292.339 2.066 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CO)CCC1 ZINC000183700983 395261414 /nfs/dbraw/zinc/26/14/14/395261414.db2.gz DLOJNAXTZYWISJ-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935539 395266532 /nfs/dbraw/zinc/26/65/32/395266532.db2.gz BORGGFCDMOTAHP-FOGDFJRCSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000191755162 395364731 /nfs/dbraw/zinc/36/47/31/395364731.db2.gz XKXZTQKAPKPVFT-GXFFZTMASA-N 1 0 250.298 2.109 20 5 CEBDRO COc1cccc(N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000420641075 395399144 /nfs/dbraw/zinc/39/91/44/395399144.db2.gz UICCGNHAPBBCCG-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ncccc1O ZINC000355276744 395392709 /nfs/dbraw/zinc/39/27/09/395392709.db2.gz HALUETAYUQQCBI-UHFFFAOYSA-N 1 0 273.292 2.294 20 5 CEBDRO C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341740 395335813 /nfs/dbraw/zinc/33/58/13/395335813.db2.gz QDIZRXZWBNEYNB-JSGCOSHPSA-N 1 0 293.367 2.033 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420363041 395349450 /nfs/dbraw/zinc/34/94/50/395349450.db2.gz NRDKIVPKYNPDNF-CYBMUJFWSA-N 1 0 281.331 2.212 20 5 CEBDRO O=C(CC[NH2+]C1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000566469168 395528302 /nfs/dbraw/zinc/52/83/02/395528302.db2.gz BQYGICFCNFMSDK-UHFFFAOYSA-N 1 0 297.742 2.007 20 5 CEBDRO CO[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000566139687 395502268 /nfs/dbraw/zinc/50/22/68/395502268.db2.gz FXKRDIFNYSLNJJ-HNNXBMFYSA-N 1 0 276.336 2.378 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250297 395598360 /nfs/dbraw/zinc/59/83/60/395598360.db2.gz DHGHIDZGTDNUAR-QWHCGFSZSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]([N@H+](C)Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000451356267 395609744 /nfs/dbraw/zinc/60/97/44/395609744.db2.gz AOCABHXTKNBTPB-QMMMGPOBSA-N 1 0 258.343 2.248 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505319 395609833 /nfs/dbraw/zinc/60/98/33/395609833.db2.gz DYNPDFRUMSAILV-GWCFXTLKSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449465498 395549579 /nfs/dbraw/zinc/54/95/79/395549579.db2.gz DKQLKAZKSJZGGO-CYBMUJFWSA-N 1 0 286.278 2.105 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436943 395618633 /nfs/dbraw/zinc/61/86/33/395618633.db2.gz KZLPSCHHVJYEBG-ZANVPECISA-N 1 0 286.278 2.358 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073598 400613949 /nfs/dbraw/zinc/61/39/49/400613949.db2.gz FCWJPLPONCKACL-QYJAPNMZSA-N 1 0 276.340 2.051 20 5 CEBDRO CN(c1ccncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000588073623 400614052 /nfs/dbraw/zinc/61/40/52/400614052.db2.gz SROQLAJUZUKNIO-FOSCPWQOSA-N 1 0 276.340 2.051 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189651645 153100314 /nfs/dbraw/zinc/10/03/14/153100314.db2.gz FMPHQYYVFAVYRM-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCC3)CC2)s1 ZINC000190317920 153125518 /nfs/dbraw/zinc/12/55/18/153125518.db2.gz SWFUCBRBHDYGNL-UHFFFAOYSA-N 1 0 282.369 2.116 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000191735100 153189544 /nfs/dbraw/zinc/18/95/44/153189544.db2.gz AYFAFWODHRTBNJ-NSHDSACASA-N 1 0 293.367 2.285 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107034 153357857 /nfs/dbraw/zinc/35/78/57/153357857.db2.gz WNGPWWGDDZTOTD-MRCXROJRSA-N 1 0 296.754 2.451 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228891006 153368814 /nfs/dbraw/zinc/36/88/14/153368814.db2.gz PSOGEMYQHWIVER-SNVBAGLBSA-N 1 0 281.312 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316953 153388107 /nfs/dbraw/zinc/38/81/07/153388107.db2.gz MSRGEVWUYQATEE-ZIAGYGMSSA-N 1 0 262.309 2.252 20 5 CEBDRO COC1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000230674653 153397110 /nfs/dbraw/zinc/39/71/10/153397110.db2.gz PMUUTLQSOASCMV-CBZQXFMTSA-N 1 0 250.298 2.423 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)CCC2 ZINC000367712427 156228374 /nfs/dbraw/zinc/22/83/74/156228374.db2.gz JWVHIVUMHJXKLF-LVQVYYBASA-N 1 0 288.347 2.454 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000370044587 156536044 /nfs/dbraw/zinc/53/60/44/156536044.db2.gz FHHQWNPRYRTDRL-UHFFFAOYSA-N 1 0 264.329 2.094 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000374984136 157035887 /nfs/dbraw/zinc/03/58/87/157035887.db2.gz WRARRPCUTOUAGE-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261597188 162548021 /nfs/dbraw/zinc/54/80/21/162548021.db2.gz OVEUPOFLFDTAHO-GFCCVEGCSA-N 1 0 267.304 2.047 20 5 CEBDRO CC[C@@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271156 165158655 /nfs/dbraw/zinc/15/86/55/165158655.db2.gz YELAHDCKFMHTGL-ZDUSSCGKSA-N 1 0 266.345 2.303 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000176220577 165159437 /nfs/dbraw/zinc/15/94/37/165159437.db2.gz JXWUOPPRBTUQCQ-CQSZACIVSA-N 1 0 286.335 2.281 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000005453156 170100597 /nfs/dbraw/zinc/10/05/97/170100597.db2.gz WZKDEOZFWVKYOY-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CC[NH+](CC)CCCNc1ncccc1[N+](=O)[O-] ZINC000020022982 170972010 /nfs/dbraw/zinc/97/20/10/170972010.db2.gz UPQDJIPAQGLOHQ-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285148798 196207450 /nfs/dbraw/zinc/20/74/50/196207450.db2.gz MCALRCYVTBQETC-QWRGUYRKSA-N 1 0 279.340 2.254 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000035735507 172387697 /nfs/dbraw/zinc/38/76/97/172387697.db2.gz YVLNQJXKOKZQTC-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000285553372 196324584 /nfs/dbraw/zinc/32/45/84/196324584.db2.gz QZYAYAOFIIYUPS-NWDGAFQWSA-N 1 0 264.325 2.357 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000040622182 174354632 /nfs/dbraw/zinc/35/46/32/174354632.db2.gz KBVKDTABUJOLIR-CQSZACIVSA-N 1 0 277.368 2.415 20 5 CEBDRO Cn1c(Cl)cnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676129 174373639 /nfs/dbraw/zinc/37/36/39/174373639.db2.gz KTQFSKXSHVDCQG-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000044526304 175191610 /nfs/dbraw/zinc/19/16/10/175191610.db2.gz DGUAKBQFWHDKMN-UHFFFAOYSA-N 1 0 267.304 2.488 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000044534326 175197044 /nfs/dbraw/zinc/19/70/44/175197044.db2.gz IOPHYIKDXLXESS-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049558801 175488154 /nfs/dbraw/zinc/48/81/54/175488154.db2.gz DIQHTCHVMHDCIV-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000053204427 175544310 /nfs/dbraw/zinc/54/43/10/175544310.db2.gz BPQMKAUKKXPXJW-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300295 176113555 /nfs/dbraw/zinc/11/35/55/176113555.db2.gz WGGBKFHGKJMMOB-RNCFNFMXSA-N 1 0 250.298 2.016 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CC[NH2+]C1 ZINC000071315128 176121502 /nfs/dbraw/zinc/12/15/02/176121502.db2.gz UXZUGNNYNQOXGT-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO CN(C(=O)C[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000077382411 177261234 /nfs/dbraw/zinc/26/12/34/177261234.db2.gz HJLVKBNAXXRJRB-UHFFFAOYSA-N 1 0 291.351 2.432 20 5 CEBDRO CC[NH+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078553232 177353101 /nfs/dbraw/zinc/35/31/01/177353101.db2.gz VTAKQECHNUGKIZ-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322960053 260075542 /nfs/dbraw/zinc/07/55/42/260075542.db2.gz VOUJXIRELWZULC-YOGCLGLASA-N 1 0 293.371 2.157 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000356096824 228119342 /nfs/dbraw/zinc/11/93/42/228119342.db2.gz MMTLODSEGLKAKE-UHFFFAOYSA-N 1 0 297.318 2.150 20 5 CEBDRO CC(C)[C@](C)(CN)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000430570749 263298591 /nfs/dbraw/zinc/29/85/91/263298591.db2.gz CCSFDZMQTPHWGZ-AWEZNQCLSA-N 1 0 265.357 2.100 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000150254406 270236569 /nfs/dbraw/zinc/23/65/69/270236569.db2.gz FRCSRNGWKCSCOG-UTSBKAFOSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000195237776 270307877 /nfs/dbraw/zinc/30/78/77/270307877.db2.gz QZXXNCBWGKPAQP-UHFFFAOYSA-N 1 0 283.328 2.040 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCCCn2ccnc2)s1 ZINC000226771895 270310533 /nfs/dbraw/zinc/31/05/33/270310533.db2.gz PUYCRZLFSSMDSW-UHFFFAOYSA-N 1 0 267.314 2.140 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697961 270361548 /nfs/dbraw/zinc/36/15/48/270361548.db2.gz RXEJVRZBTSLHRN-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399618427 270371409 /nfs/dbraw/zinc/37/14/09/270371409.db2.gz ZVXFLRUBONMQHZ-COPLHBTASA-N 1 0 293.367 2.391 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327389 270897630 /nfs/dbraw/zinc/89/76/30/270897630.db2.gz RKRJQHZVDRJGQZ-GXFFZTMASA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423582549 270926558 /nfs/dbraw/zinc/92/65/58/270926558.db2.gz AOMIEIJDSDHSBT-NWDGAFQWSA-N 1 0 291.351 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000428467923 271270273 /nfs/dbraw/zinc/27/02/73/271270273.db2.gz BXCKDAMUBSBSGN-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1ccccc1[N+](=O)[O-] ZINC000430573394 271391998 /nfs/dbraw/zinc/39/19/98/271391998.db2.gz QUWUFUJLMFFYIU-CYBMUJFWSA-N 1 0 251.330 2.058 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1CC(O)C1 ZINC000432365376 271490189 /nfs/dbraw/zinc/49/01/89/271490189.db2.gz SSHSWQLJROQXST-HWKANZROSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000433114496 271522336 /nfs/dbraw/zinc/52/23/36/271522336.db2.gz HAQKUXNIFYYDGG-YPMHNXCESA-N 1 0 293.367 2.311 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCO ZINC000442964607 271845402 /nfs/dbraw/zinc/84/54/02/271845402.db2.gz IQZRIWPMKWEBLU-XFXZXTDPSA-N 1 0 264.325 2.312 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278373643 273789830 /nfs/dbraw/zinc/78/98/30/273789830.db2.gz LEFGIYFSWXDJRG-UHFFFAOYSA-N 1 0 278.356 2.315 20 5 CEBDRO C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070177126 274288804 /nfs/dbraw/zinc/28/88/04/274288804.db2.gz DBYHBFZTBCZSFK-ZWNOBZJWSA-N 1 0 292.339 2.186 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128303171 274955906 /nfs/dbraw/zinc/95/59/06/274955906.db2.gz LOIIWNLYPYECLJ-VXGBXAGGSA-N 1 0 297.742 2.248 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876111 277008384 /nfs/dbraw/zinc/00/83/84/277008384.db2.gz RLIGKYTWUWTHQN-GDLCADMTSA-N 1 0 291.351 2.160 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000155970284 277050707 /nfs/dbraw/zinc/05/07/07/277050707.db2.gz PACAYEBQRBMPDN-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504173 277092077 /nfs/dbraw/zinc/09/20/77/277092077.db2.gz BGEIIVVTIJYKBB-WDEREUQCSA-N 1 0 278.308 2.151 20 5 CEBDRO CNC(=O)CC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182741652 277226074 /nfs/dbraw/zinc/22/60/74/277226074.db2.gz CMTBWVCBQMHFLI-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296692591 277309362 /nfs/dbraw/zinc/30/93/62/277309362.db2.gz JXLHRXIZKQXFOC-JTQLQIEISA-N 1 0 278.308 2.199 20 5 CEBDRO COC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292173266 277316395 /nfs/dbraw/zinc/31/63/95/277316395.db2.gz PUMDWXMYIUPMMC-UHFFFAOYSA-N 1 0 280.324 2.373 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135106193 277650233 /nfs/dbraw/zinc/65/02/33/277650233.db2.gz ADKPCZLFDCMBMR-NSHDSACASA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678151 278268383 /nfs/dbraw/zinc/26/83/83/278268383.db2.gz JJUMJNBSGFGRLW-RYUDHWBXSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C[NH3+])C1 ZINC000261588473 278313554 /nfs/dbraw/zinc/31/35/54/278313554.db2.gz KFOARDJKHVTXBS-RISCZKNCSA-N 1 0 263.341 2.327 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000357047445 279083289 /nfs/dbraw/zinc/08/32/89/279083289.db2.gz WDIJGXLJYOBFGU-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150236239 280079593 /nfs/dbraw/zinc/07/95/93/280079593.db2.gz FYVLEFRWCMRSCJ-JTQLQIEISA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423621915 281071524 /nfs/dbraw/zinc/07/15/24/281071524.db2.gz LLJNXWQFXPMMDW-NWDGAFQWSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)C(C)C)n1 ZINC000444824958 281650234 /nfs/dbraw/zinc/65/02/34/281650234.db2.gz CWJGWVXPHNPUEM-UHFFFAOYSA-N 1 0 280.372 2.383 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000152550077 289092648 /nfs/dbraw/zinc/09/26/48/289092648.db2.gz RHQYZJBDPOYVGI-SNVBAGLBSA-N 1 0 268.313 2.291 20 5 CEBDRO C[C@H](CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151720527 289701739 /nfs/dbraw/zinc/70/17/39/289701739.db2.gz NXXKFTFBHMZUHP-SMDDNHRTSA-N 1 0 278.352 2.134 20 5 CEBDRO CC(C)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487995590 290372799 /nfs/dbraw/zinc/37/27/99/290372799.db2.gz AYIYGOKFUSSVMT-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO CNc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000488062851 290376531 /nfs/dbraw/zinc/37/65/31/290376531.db2.gz HWMUSQJCHLXVJN-UHFFFAOYSA-N 1 0 295.302 2.167 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000514738575 297550622 /nfs/dbraw/zinc/55/06/22/297550622.db2.gz IORLEBUUXDBGCA-MISXGVKJSA-N 1 0 274.320 2.109 20 5 CEBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000517026135 297612355 /nfs/dbraw/zinc/61/23/55/297612355.db2.gz LDLLWLHBSCLQIH-QWHCGFSZSA-N 1 0 282.365 2.457 20 5 CEBDRO Cn1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000521270252 297644430 /nfs/dbraw/zinc/64/44/30/297644430.db2.gz KIENQULXTMZGKA-CQSZACIVSA-N 1 0 286.335 2.148 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000531963017 298126589 /nfs/dbraw/zinc/12/65/89/298126589.db2.gz WAQOTZZCBUBBPS-NEPJUHHUSA-N 1 0 289.339 2.234 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000542522908 298291902 /nfs/dbraw/zinc/29/19/02/298291902.db2.gz YYHGSDPXGXYZFS-LBPRGKRZSA-N 1 0 282.340 2.364 20 5 CEBDRO CC(C)(O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419278 298775739 /nfs/dbraw/zinc/77/57/39/298775739.db2.gz SVSJQLSEHFCGJK-LBPRGKRZSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000565717072 298918986 /nfs/dbraw/zinc/91/89/86/298918986.db2.gz RKSHYYPORUEHLV-XHSUHYBKSA-N 1 0 275.352 2.290 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516435488 313088995 /nfs/dbraw/zinc/08/89/95/313088995.db2.gz HDSBKKLWBOOKOL-MRXNPFEDSA-N 1 0 298.346 2.333 20 5 CEBDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000525288079 313148163 /nfs/dbraw/zinc/14/81/63/313148163.db2.gz XARFLUAACGDNCV-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207549 314078574 /nfs/dbraw/zinc/07/85/74/314078574.db2.gz BUAIGYBRQBXHQT-IUODEOHRSA-N 1 0 277.368 2.367 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(F)c1 ZINC000573573452 314170192 /nfs/dbraw/zinc/17/01/92/314170192.db2.gz BXYUJPZQAFJUHQ-UHFFFAOYSA-N 1 0 268.292 2.027 20 5 CEBDRO Cn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000574170505 314194026 /nfs/dbraw/zinc/19/40/26/314194026.db2.gz GJLREIPEPRHXOA-CYBMUJFWSA-N 1 0 272.308 2.105 20 5 CEBDRO CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000577384657 314371099 /nfs/dbraw/zinc/37/10/99/314371099.db2.gz FSHMDTLVMLIFLA-ZDUSSCGKSA-N 1 0 296.367 2.455 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000584341557 328128319 /nfs/dbraw/zinc/12/83/19/328128319.db2.gz XYLORBKYOTZYEV-OAHLLOKOSA-N 1 0 275.352 2.483 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000386406128 321870792 /nfs/dbraw/zinc/87/07/92/321870792.db2.gz XGPVBMJZAKBXCI-VIFPVBQESA-N 1 0 256.277 2.249 20 5 CEBDRO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+](C)C ZINC000581068452 322366171 /nfs/dbraw/zinc/36/61/71/322366171.db2.gz DMWNCBHSMWVEIL-JTQLQIEISA-N 1 0 278.356 2.231 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000581131634 322371624 /nfs/dbraw/zinc/37/16/24/322371624.db2.gz NOCVBAHNBIFOAP-WDEREUQCSA-N 1 0 281.356 2.209 20 5 CEBDRO C[C@@](O)(C[NH2+]CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582840948 322506597 /nfs/dbraw/zinc/50/65/97/322506597.db2.gz RMJLQLVQEYRKSK-LLVKDONJSA-N 1 0 292.257 2.040 20 5 CEBDRO Cc1ccnc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000097934372 534402516 /nfs/dbraw/zinc/40/25/16/534402516.db2.gz UDLWOYBWDPLUID-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000069093201 521483752 /nfs/dbraw/zinc/48/37/52/521483752.db2.gz CXDLUWXZQTWOAI-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063166626 522040613 /nfs/dbraw/zinc/04/06/13/522040613.db2.gz LXDGYEQHYLNHDE-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164131768 523005133 /nfs/dbraw/zinc/00/51/33/523005133.db2.gz IZTJODIPVAJKFI-OLZOCXBDSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000068449916 523915761 /nfs/dbraw/zinc/91/57/61/523915761.db2.gz OQZSOLKLGPLVDO-JTQLQIEISA-N 1 0 295.339 2.272 20 5 CEBDRO CO[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676407 523972400 /nfs/dbraw/zinc/97/24/00/523972400.db2.gz PFDZMZSUFBRARI-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000062726620 524070784 /nfs/dbraw/zinc/07/07/84/524070784.db2.gz CBGNFJXGUVGVKK-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000068341203 524173230 /nfs/dbraw/zinc/17/32/30/524173230.db2.gz SARBDGRBHGJZPF-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000070252119 525199627 /nfs/dbraw/zinc/19/96/27/525199627.db2.gz YGXKKGDFTYAHOI-LBPRGKRZSA-N 1 0 289.335 2.231 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163126 525560939 /nfs/dbraw/zinc/56/09/39/525560939.db2.gz UFBSFBYAZIWOPD-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000070169891 526103873 /nfs/dbraw/zinc/10/38/73/526103873.db2.gz DHXULHPQMHMTDP-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCCC[C@@H]32)n1 ZINC000366099616 527407470 /nfs/dbraw/zinc/40/74/70/527407470.db2.gz UPATXTPUWIPKSP-RYUDHWBXSA-N 1 0 264.329 2.056 20 5 CEBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000194943048 527958559 /nfs/dbraw/zinc/95/85/59/527958559.db2.gz WYIATSXJCQHMNM-AWEZNQCLSA-N 1 0 296.371 2.072 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000357775372 528000946 /nfs/dbraw/zinc/00/09/46/528000946.db2.gz PFBKRBXKYUWSOJ-JTQLQIEISA-N 1 0 283.376 2.169 20 5 CEBDRO CCC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357899317 529022281 /nfs/dbraw/zinc/02/22/81/529022281.db2.gz ADYFCSBFWSZVGI-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000736286188 574780913 /nfs/dbraw/zinc/78/09/13/574780913.db2.gz HAZRRIARQOPJDT-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1ncsc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000742369637 575017274 /nfs/dbraw/zinc/01/72/74/575017274.db2.gz AWYNHWMAHXIGNB-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO Cc1ccnc(NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742426822 575021141 /nfs/dbraw/zinc/02/11/41/575021141.db2.gz CIFOKYBUPYZRLB-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CC(C)(C)[NH2+]Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000090299877 622639997 /nfs/dbraw/zinc/63/99/97/622639997.db2.gz FCGILZDHZZGSNO-UHFFFAOYSA-N 1 0 275.312 2.064 20 5 CEBDRO CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932976889 623434795 /nfs/dbraw/zinc/43/47/95/623434795.db2.gz HJBYEJUHWJKKOH-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000891450169 623706418 /nfs/dbraw/zinc/70/64/18/623706418.db2.gz KPZHNTPVPXEQKY-GFCCVEGCSA-N 1 0 289.339 2.043 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CC2)CC1 ZINC000891660612 623871223 /nfs/dbraw/zinc/87/12/23/623871223.db2.gz BRLZMDKSGHCIIU-UHFFFAOYSA-N 1 0 292.339 2.037 20 5 CEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891979938 624224757 /nfs/dbraw/zinc/22/47/57/624224757.db2.gz XYUVEWVTFZHLEK-GRYCIOLGSA-N 1 0 295.387 2.107 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000934125626 624247300 /nfs/dbraw/zinc/24/73/00/624247300.db2.gz SAEQUIUWEWKMIL-UONOGXRCSA-N 1 0 280.324 2.083 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000051694668 624524380 /nfs/dbraw/zinc/52/43/80/624524380.db2.gz YYBQKNKIICZUOR-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO [NH3+]CC[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070170218 625070992 /nfs/dbraw/zinc/07/09/92/625070992.db2.gz DHVUGFNTPMLQPP-LLVKDONJSA-N 1 0 292.339 2.188 20 5 CEBDRO C[NH2+]CCCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239948 625169296 /nfs/dbraw/zinc/16/92/96/625169296.db2.gz REMOHFBCIALBCC-UHFFFAOYSA-N 1 0 276.296 2.105 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000310941491 627325875 /nfs/dbraw/zinc/32/58/75/627325875.db2.gz OJPGWDQVKWWZEZ-OASPWFOLSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429032 634650135 /nfs/dbraw/zinc/65/01/35/634650135.db2.gz JJIDYFXBEBDGDZ-OUCADQQQSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000313563565 628617874 /nfs/dbraw/zinc/61/78/74/628617874.db2.gz QHYHZIIEFDZNON-QMTHXVAHSA-N 1 0 281.331 2.258 20 5 CEBDRO Nc1cc[nH+]c2c1CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000931512727 628651264 /nfs/dbraw/zinc/65/12/64/628651264.db2.gz SNMRIDYQFXHQGV-UHFFFAOYSA-N 1 0 284.319 2.130 20 5 CEBDRO Cc1c(CNC(=O)CC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261606525 628946261 /nfs/dbraw/zinc/94/62/61/628946261.db2.gz CXYHSBPLTMCBMK-ZDUSSCGKSA-N 1 0 291.351 2.052 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000893941109 629055196 /nfs/dbraw/zinc/05/51/96/629055196.db2.gz QRQSEHZZWOEZFL-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000893941110 629055227 /nfs/dbraw/zinc/05/52/27/629055227.db2.gz QRQSEHZZWOEZFL-SMDDNHRTSA-N 1 0 261.325 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H](C)O ZINC000877320423 629149794 /nfs/dbraw/zinc/14/97/94/629149794.db2.gz GMDJOTPIYWMVFR-JTQLQIEISA-N 1 0 252.314 2.024 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402156 634712463 /nfs/dbraw/zinc/71/24/63/634712463.db2.gz NJWLHGKQPPGQGT-ZYHUDNBSSA-N 1 0 278.308 2.259 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CSC2(C)C)c1[N+](=O)[O-] ZINC000894282137 629302123 /nfs/dbraw/zinc/30/21/23/629302123.db2.gz YNJWKWOARSCENT-SNVBAGLBSA-N 1 0 298.364 2.293 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894711455 629605496 /nfs/dbraw/zinc/60/54/96/629605496.db2.gz JVNGPRCOZYUUOY-AWEZNQCLSA-N 1 0 298.339 2.214 20 5 CEBDRO Cc1coc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000894759874 629620658 /nfs/dbraw/zinc/62/06/58/629620658.db2.gz ASGPQODPTOSTJO-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+](C)C)CC2)n1 ZINC000894850893 629686764 /nfs/dbraw/zinc/68/67/64/629686764.db2.gz ZTHKUMRGTZTGRY-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CCC[C@H]1CN(c2sccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057627 629830951 /nfs/dbraw/zinc/83/09/51/629830951.db2.gz GVICKFUFWUEZBS-VIFPVBQESA-N 1 0 255.343 2.235 20 5 CEBDRO Cc1nc(N2CC[C@H](CC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000895323866 630110917 /nfs/dbraw/zinc/11/09/17/630110917.db2.gz AKCFYWJUEOUVBS-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2ncncc2C1 ZINC000895723288 630315850 /nfs/dbraw/zinc/31/58/50/630315850.db2.gz UPQUUMBYDDYCSJ-HYXAFXHYSA-N 1 0 296.330 2.456 20 5 CEBDRO C[C@@H]1[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895740681 630320728 /nfs/dbraw/zinc/32/07/28/630320728.db2.gz PGTNDRZTUOFKCC-SKDRFNHKSA-N 1 0 287.323 2.043 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)c1C ZINC000895886232 630386283 /nfs/dbraw/zinc/38/62/83/630386283.db2.gz BMOIPBQHXZWKHO-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000896911714 630795321 /nfs/dbraw/zinc/79/53/21/630795321.db2.gz BBOIIDWKNSCYMA-RNCFNFMXSA-N 1 0 296.758 2.031 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@]34C[C@H]3CCC4)C2)c1 ZINC000897242421 631011269 /nfs/dbraw/zinc/01/12/69/631011269.db2.gz UIGLIDZTNKUCRP-NPZBDFSRSA-N 1 0 276.340 2.275 20 5 CEBDRO O=[N+]([O-])c1cnn(C[NH+]2CCCCCCCC2)c1 ZINC000840133092 631943734 /nfs/dbraw/zinc/94/37/34/631943734.db2.gz HWWHUOLSAZZYOS-UHFFFAOYSA-N 1 0 252.318 2.405 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC(O)C2 ZINC000897849387 631944651 /nfs/dbraw/zinc/94/46/51/631944651.db2.gz XDNDNVNWJHKIAL-ZTBPCECTSA-N 1 0 290.363 2.419 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC(O)C2 ZINC000897849383 631944673 /nfs/dbraw/zinc/94/46/73/631944673.db2.gz XDNDNVNWJHKIAL-LFVOTIEESA-N 1 0 290.363 2.419 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1[N+](=O)[O-] ZINC000897874156 631955345 /nfs/dbraw/zinc/95/53/45/631955345.db2.gz TVSXIHALUGNHLU-HNNXBMFYSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)cn1 ZINC000898043548 632034756 /nfs/dbraw/zinc/03/47/56/632034756.db2.gz TWOVBNHBXCFBIF-LBPRGKRZSA-N 1 0 288.351 2.439 20 5 CEBDRO [NH3+]CCN(Cc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000809735245 632134683 /nfs/dbraw/zinc/13/46/83/632134683.db2.gz XHSNFHVNQCVMNH-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO Cc1nonc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000809744664 632138218 /nfs/dbraw/zinc/13/82/18/632138218.db2.gz XBGTXICASJPUNN-JTQLQIEISA-N 1 0 290.323 2.397 20 5 CEBDRO CC[N@H+](CCNc1cc(N)ccc1[N+](=O)[O-])C(C)C ZINC000811797748 632445518 /nfs/dbraw/zinc/44/55/18/632445518.db2.gz FZOBOFPDGQVKTR-UHFFFAOYSA-N 1 0 266.345 2.319 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@@H]1CCOC1 ZINC000927084446 632452727 /nfs/dbraw/zinc/45/27/27/632452727.db2.gz MJVXYGVVWRZITC-GXTWGEPZSA-N 1 0 294.351 2.359 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899624286 632920056 /nfs/dbraw/zinc/92/00/56/632920056.db2.gz OIZPSILHEILDES-YOGCLGLASA-N 1 0 264.329 2.020 20 5 CEBDRO Cc1nn(CCCCCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000818618463 633962840 /nfs/dbraw/zinc/96/28/40/633962840.db2.gz PJBPMRKPNAMDOH-UHFFFAOYSA-N 1 0 254.334 2.317 20 5 CEBDRO COCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819291230 634129871 /nfs/dbraw/zinc/12/98/71/634129871.db2.gz SDUYNRSAAMZXDU-CQSZACIVSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)SCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310102 634134592 /nfs/dbraw/zinc/13/45/92/634134592.db2.gz ZLVZFTQNBLMTIH-ZDUSSCGKSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056247 634948713 /nfs/dbraw/zinc/94/87/13/634948713.db2.gz SGFAHUXJCBHGGA-KOLCDFICSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903076314 634958178 /nfs/dbraw/zinc/95/81/78/634958178.db2.gz NDUUUXOMBTYJLD-QWRGUYRKSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc([N+](=O)[O-])c1 ZINC000903097889 634967520 /nfs/dbraw/zinc/96/75/20/634967520.db2.gz WFCJHVFHOHEKRM-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1cc(Cc2noc([C@H](C)[C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863717 635015021 /nfs/dbraw/zinc/01/50/21/635015021.db2.gz SKOGPRSHBWWXDX-ZJUUUORDSA-N 1 0 290.323 2.328 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903298775 635045970 /nfs/dbraw/zinc/04/59/70/635045970.db2.gz ZINRFZBSNWWZNS-UHIISALHSA-N 1 0 295.358 2.347 20 5 CEBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302214 635049513 /nfs/dbraw/zinc/04/95/13/635049513.db2.gz XGUVFAOGGSZUTJ-HOSYDEDBSA-N 1 0 281.331 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903321518 635055428 /nfs/dbraw/zinc/05/54/28/635055428.db2.gz GQNFTJWNKHKLSB-AAEUAGOBSA-N 1 0 263.341 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)s1 ZINC000823069277 635059657 /nfs/dbraw/zinc/05/96/57/635059657.db2.gz LFEJUFAHKGIZHY-MADCSZMMSA-N 1 0 292.320 2.173 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823194509 635093802 /nfs/dbraw/zinc/09/38/02/635093802.db2.gz GLEQBVKMECVZLH-LBPRGKRZSA-N 1 0 281.331 2.260 20 5 CEBDRO C[NH+](C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000823297869 635129416 /nfs/dbraw/zinc/12/94/16/635129416.db2.gz KESWQZKDDIUSTB-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845246 635302655 /nfs/dbraw/zinc/30/26/55/635302655.db2.gz GBAZOKVYXWYFMK-DCAQKATOSA-N 1 0 279.315 2.046 20 5 CEBDRO CC(C)c1ccc(CNCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904451631 635641796 /nfs/dbraw/zinc/64/17/96/635641796.db2.gz XJNNMBFYTFVACY-UHFFFAOYSA-N 1 0 263.341 2.299 20 5 CEBDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905156236 635832189 /nfs/dbraw/zinc/83/21/89/635832189.db2.gz XZNCJBXUOGMLDC-RNCFNFMXSA-N 1 0 252.289 2.315 20 5 CEBDRO C[C@H](Cc1ccccc1Br)[NH2+]CC[N+](=O)[O-] ZINC000905169234 635867106 /nfs/dbraw/zinc/86/71/06/635867106.db2.gz ONCCEMNVVAKYSI-SECBINFHSA-N 1 0 287.157 2.246 20 5 CEBDRO CC(C)Cc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N(C)C)cc1 ZINC000905263739 636182121 /nfs/dbraw/zinc/18/21/21/636182121.db2.gz WIOFVSZNDUXFKT-INIZCTEOSA-N 1 0 293.411 2.354 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000905242205 636193811 /nfs/dbraw/zinc/19/38/11/636193811.db2.gz AYNKEGQPRWYPKD-GZMMTYOYSA-N 1 0 258.680 2.201 20 5 CEBDRO CC[NH+](CC)CCOc1ccccc1NCC[N+](=O)[O-] ZINC000905317312 636215637 /nfs/dbraw/zinc/21/56/37/636215637.db2.gz AVTNQNJDNBZGGT-UHFFFAOYSA-N 1 0 281.356 2.096 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000827125669 636226515 /nfs/dbraw/zinc/22/65/15/636226515.db2.gz NTVDKJHRGNAMBB-UHFFFAOYSA-N 1 0 283.759 2.242 20 5 CEBDRO C[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000905643439 636379592 /nfs/dbraw/zinc/37/95/92/636379592.db2.gz MAIYOPSUFMEJFE-LDYMZIIASA-N 1 0 292.257 2.211 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000905731662 636420679 /nfs/dbraw/zinc/42/06/79/636420679.db2.gz OVAJQYGALRMTBS-YPMHNXCESA-N 1 0 286.335 2.314 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000149204744 636807439 /nfs/dbraw/zinc/80/74/39/636807439.db2.gz NZBWMQFQHZFWED-LLVKDONJSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876518795 650300481 /nfs/dbraw/zinc/30/04/81/650300481.db2.gz JTGHSYCOJWJUMO-JTQLQIEISA-N 1 0 287.319 2.215 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876539319 650312275 /nfs/dbraw/zinc/31/22/75/650312275.db2.gz CCMTWMRYDQSRJE-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830812853 637167365 /nfs/dbraw/zinc/16/73/65/637167365.db2.gz VWPXWKXXTFIOPT-UHFFFAOYSA-N 1 0 287.404 2.012 20 5 CEBDRO CS[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889280 637190556 /nfs/dbraw/zinc/19/05/56/637190556.db2.gz NCNTUTMXKMBEBD-QWHCGFSZSA-N 1 0 282.365 2.066 20 5 CEBDRO Cc1c(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000876550353 650321511 /nfs/dbraw/zinc/32/15/11/650321511.db2.gz ZZAKXUANVBKBKB-QDZRJHCZSA-N 1 0 289.335 2.398 20 5 CEBDRO C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832220214 637521023 /nfs/dbraw/zinc/52/10/23/637521023.db2.gz OICJUDVKVSMLFW-PRHODGIISA-N 1 0 270.716 2.203 20 5 CEBDRO CCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)COC1 ZINC000834901086 637981164 /nfs/dbraw/zinc/98/11/64/637981164.db2.gz WRCQGMNSLUQJCQ-JTQLQIEISA-N 1 0 279.340 2.254 20 5 CEBDRO CC[N@H+](CCNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000101932089 638075224 /nfs/dbraw/zinc/07/52/24/638075224.db2.gz XUAAUPLVMCWCOY-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000876831964 650451582 /nfs/dbraw/zinc/45/15/82/650451582.db2.gz MIDWGCFWTVXAJK-RYUDHWBXSA-N 1 0 291.351 2.082 20 5 CEBDRO COCCOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000225780464 639513042 /nfs/dbraw/zinc/51/30/42/639513042.db2.gz JMLNIYNBMWRQFH-UHFFFAOYSA-N 1 0 282.340 2.046 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187960 639563386 /nfs/dbraw/zinc/56/33/86/639563386.db2.gz JZCPNDDPRDGVMO-CVJBHZAOSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840893093 639575679 /nfs/dbraw/zinc/57/56/79/639575679.db2.gz DFZKDZFGZOHTDG-GVXVVHGQSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000227697090 639602240 /nfs/dbraw/zinc/60/22/40/639602240.db2.gz QSXLFDVVHJJIQC-JOYOIKCWSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000228108580 639617788 /nfs/dbraw/zinc/61/77/88/639617788.db2.gz GMKHNSNJJRBJOS-NXEZZACHSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062260 639638187 /nfs/dbraw/zinc/63/81/87/639638187.db2.gz VBXXYMNTUQVEGO-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203426 639745625 /nfs/dbraw/zinc/74/56/25/639745625.db2.gz XKDONDMXVOMPAU-MNOVXSKESA-N 1 0 280.324 2.397 20 5 CEBDRO Cc1nccn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885702 639882132 /nfs/dbraw/zinc/88/21/32/639882132.db2.gz AKRQHTNTWRTVGE-UHFFFAOYSA-N 1 0 274.324 2.198 20 5 CEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000088139005 639943392 /nfs/dbraw/zinc/94/33/92/639943392.db2.gz SZQFHXVNLKPEIV-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000877060221 650553521 /nfs/dbraw/zinc/55/35/21/650553521.db2.gz VOKATNNIRQIDGJ-AWEZNQCLSA-N 1 0 290.319 2.362 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089168864 640143148 /nfs/dbraw/zinc/14/31/48/640143148.db2.gz FOPRTQLZFZKEEM-MFKMUULPSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC(F)(F)F)C2)c1 ZINC000877068267 650558404 /nfs/dbraw/zinc/55/84/04/650558404.db2.gz SWORCXZKCVGEBG-UHFFFAOYSA-N 1 0 278.234 2.037 20 5 CEBDRO COC(C)(C)C[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877064986 650556641 /nfs/dbraw/zinc/55/66/41/650556641.db2.gz XMDCCYAVLFTRTE-VOMCLLRMSA-N 1 0 296.371 2.288 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843055029 640257709 /nfs/dbraw/zinc/25/77/09/640257709.db2.gz DHPIMQPFSIXSGL-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000843187498 640339094 /nfs/dbraw/zinc/33/90/94/640339094.db2.gz RCUWSPCYJHBUOB-CQSZACIVSA-N 1 0 288.307 2.204 20 5 CEBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000915209180 640529507 /nfs/dbraw/zinc/52/95/07/640529507.db2.gz KKQQEFQXAJPLSZ-JTQLQIEISA-N 1 0 254.334 2.342 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)CCF)c1 ZINC000846096315 641179571 /nfs/dbraw/zinc/17/95/71/641179571.db2.gz GIHBSPOAQJYLBN-SECBINFHSA-N 1 0 276.695 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@]34CCC[NH2+]C4)n2)o1 ZINC000848630536 642081893 /nfs/dbraw/zinc/08/18/93/642081893.db2.gz NSCNTSCUMCAPMY-OQPBUACISA-N 1 0 290.279 2.095 20 5 CEBDRO COCC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000877522664 650764796 /nfs/dbraw/zinc/76/47/96/650764796.db2.gz RNFPOVOWHQBKGU-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO Cc1ccoc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877546808 650779885 /nfs/dbraw/zinc/77/98/85/650779885.db2.gz MTOUNJUALMLIHR-UHFFFAOYSA-N 1 0 276.296 2.186 20 5 CEBDRO CN(C)c1cc[nH+]c(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000922481737 643082846 /nfs/dbraw/zinc/08/28/46/643082846.db2.gz WHISFCBUIXPJKF-UHFFFAOYSA-N 1 0 286.335 2.346 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000852586948 643483853 /nfs/dbraw/zinc/48/38/53/643483853.db2.gz PICBKNHHOSNJGW-XUJVJEKNSA-N 1 0 294.351 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000877683601 650848933 /nfs/dbraw/zinc/84/89/33/650848933.db2.gz ZAWOXHKWCLRCLB-RHMLRGBNSA-N 1 0 288.347 2.150 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)c2ccccn2)cccc1[N+](=O)[O-] ZINC000853105394 643658965 /nfs/dbraw/zinc/65/89/65/643658965.db2.gz QWDSANVWXOTJGC-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@@H]1CN(CCNc2cccc(F)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000853798364 643903755 /nfs/dbraw/zinc/90/37/55/643903755.db2.gz DNWJBFKHSOHQIQ-GHMZBOCLSA-N 1 0 297.330 2.255 20 5 CEBDRO Cc1c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739650 650882783 /nfs/dbraw/zinc/88/27/83/650882783.db2.gz PKWBIRBJBDJJRI-GOEBONIOSA-N 1 0 289.379 2.429 20 5 CEBDRO CCn1ncc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000838968740 644100579 /nfs/dbraw/zinc/10/05/79/644100579.db2.gz QDYDDXKMHWEVIR-NSHDSACASA-N 1 0 289.339 2.365 20 5 CEBDRO CC[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000755926326 644583872 /nfs/dbraw/zinc/58/38/72/644583872.db2.gz XASLOTCEIDXRQP-NSHDSACASA-N 1 0 289.339 2.337 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c(CO)c1)C2 ZINC000858458971 645167677 /nfs/dbraw/zinc/16/76/77/645167677.db2.gz NLJBFBOOKIONPZ-UHFFFAOYSA-N 1 0 285.303 2.045 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000761112976 645243499 /nfs/dbraw/zinc/24/34/99/645243499.db2.gz LUDHVVRRPVPBCJ-ZYHUDNBSSA-N 1 0 286.278 2.215 20 5 CEBDRO CC[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858823457 645263432 /nfs/dbraw/zinc/26/34/32/645263432.db2.gz VJJIMOPQKZPMDY-GXFFZTMASA-N 1 0 291.351 2.374 20 5 CEBDRO CC[S@@](=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528012 645294227 /nfs/dbraw/zinc/29/42/27/645294227.db2.gz XFJQYUXHZZQRCF-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000763065095 645498949 /nfs/dbraw/zinc/49/89/49/645498949.db2.gz KPTJRMNYADVNNH-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000763269255 645525974 /nfs/dbraw/zinc/52/59/74/645525974.db2.gz XLRBOZCWVHPXCY-UHFFFAOYSA-N 1 0 280.324 2.484 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859626936 645544825 /nfs/dbraw/zinc/54/48/25/645544825.db2.gz IGNIOEHSGWMPLC-AWEZNQCLSA-N 1 0 262.309 2.255 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000859661224 645558954 /nfs/dbraw/zinc/55/89/54/645558954.db2.gz YRORCWOBVOJWGT-VIFPVBQESA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1nn(C[NH+]2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764847488 645698531 /nfs/dbraw/zinc/69/85/31/645698531.db2.gz SBEREFGGBHBDIS-UHFFFAOYSA-N 1 0 260.297 2.306 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000765770588 645807370 /nfs/dbraw/zinc/80/73/70/645807370.db2.gz NQCKTVYHECFTLH-NWDGAFQWSA-N 1 0 263.341 2.258 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863484473 646740772 /nfs/dbraw/zinc/74/07/72/646740772.db2.gz ZUXUTUYLEIUHNX-NWDGAFQWSA-N 1 0 283.759 2.478 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863575070 646760738 /nfs/dbraw/zinc/76/07/38/646760738.db2.gz IFIDVNSXALTZSO-ZFWWWQNUSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)CC[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863575068 646760938 /nfs/dbraw/zinc/76/09/38/646760938.db2.gz IFIDVNSXALTZSO-HIFRSBDPSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275985 647044829 /nfs/dbraw/zinc/04/48/29/647044829.db2.gz JGPQFFVTGQHRGH-QMTHXVAHSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@H+](CCOC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586356 647075440 /nfs/dbraw/zinc/07/54/40/647075440.db2.gz NBIJDOVEOPWTMD-CQSZACIVSA-N 1 0 296.367 2.375 20 5 CEBDRO CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593796 647076903 /nfs/dbraw/zinc/07/69/03/647076903.db2.gz ZABJFGHFZMDBMG-RISCZKNCSA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000865694695 647427496 /nfs/dbraw/zinc/42/74/96/647427496.db2.gz TZDGJYMFJXTJHQ-WPTOEGHWSA-N 1 0 274.320 2.108 20 5 CEBDRO C[NH+](C)C1(CNc2cc(F)c([N+](=O)[O-])cc2CO)CCC1 ZINC000865710556 647434336 /nfs/dbraw/zinc/43/43/36/647434336.db2.gz BMBMOVDEUARHFX-UHFFFAOYSA-N 1 0 297.330 2.122 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000866054402 647589885 /nfs/dbraw/zinc/58/98/85/647589885.db2.gz APIXUZNHRRRLDT-UHFFFAOYSA-N 1 0 296.396 2.364 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000866205256 647668877 /nfs/dbraw/zinc/66/88/77/647668877.db2.gz KSXPMZSEKMHADK-NXEZZACHSA-N 1 0 267.354 2.187 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000866209326 647672896 /nfs/dbraw/zinc/67/28/96/647672896.db2.gz QYOHACZPXHFFLM-MNOVXSKESA-N 1 0 281.381 2.495 20 5 CEBDRO CCOCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866237607 647686927 /nfs/dbraw/zinc/68/69/27/647686927.db2.gz LEQNFHWBRWNYJB-SNVBAGLBSA-N 1 0 270.304 2.291 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc[nH]n1 ZINC000866264330 647703703 /nfs/dbraw/zinc/70/37/03/647703703.db2.gz YHPKLQJWZSKUHQ-SECBINFHSA-N 1 0 278.287 2.178 20 5 CEBDRO C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783498952 647721793 /nfs/dbraw/zinc/72/17/93/647721793.db2.gz XKMRNMDMQXIAMC-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CO ZINC000866308093 647729029 /nfs/dbraw/zinc/72/90/29/647729029.db2.gz PYLZLZGSYLDMFL-JTQLQIEISA-N 1 0 284.331 2.273 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783665122 647745587 /nfs/dbraw/zinc/74/55/87/647745587.db2.gz UPRUWAJNINKGCW-IUCAKERBSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CC2)c(Cl)c1 ZINC000784545116 647861463 /nfs/dbraw/zinc/86/14/63/647861463.db2.gz NUMSZXBBTUKGIJ-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866682305 647867563 /nfs/dbraw/zinc/86/75/63/647867563.db2.gz HXCDWHBDLPSQMY-SCZZXKLOSA-N 1 0 269.732 2.170 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866725363 647884607 /nfs/dbraw/zinc/88/46/07/647884607.db2.gz SFCJRYLKZQBHLN-KBPBESRZSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000868003833 648016996 /nfs/dbraw/zinc/01/69/96/648016996.db2.gz GBTMKPLYYUGNHB-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[NH+](CC)CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000789940831 648360573 /nfs/dbraw/zinc/36/05/73/648360573.db2.gz DHEYYPQUVBMBEY-JXMROGBWSA-N 1 0 292.335 2.493 20 5 CEBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000791052943 648476403 /nfs/dbraw/zinc/47/64/03/648476403.db2.gz PTLYRWMCGBEUGN-PWSUYJOCSA-N 1 0 252.289 2.280 20 5 CEBDRO CCC[N@H+](CC[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000791053680 648476981 /nfs/dbraw/zinc/47/69/81/648476981.db2.gz VUZMKRJIKBIEOT-RYUDHWBXSA-N 1 0 258.362 2.179 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000869897537 648643189 /nfs/dbraw/zinc/64/31/89/648643189.db2.gz XSPLEBFMCXTMAR-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794570237 648884816 /nfs/dbraw/zinc/88/48/16/648884816.db2.gz IWWWZIZDJPQKNY-BXUZGUMPSA-N 1 0 296.392 2.456 20 5 CEBDRO C[C@H]([NH2+]CC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034377 649248280 /nfs/dbraw/zinc/24/82/80/649248280.db2.gz HSKZEWIMDPTXKU-VIFPVBQESA-N 1 0 268.288 2.300 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127500 649286248 /nfs/dbraw/zinc/28/62/48/649286248.db2.gz VGSWACKJDLVLII-NHCYSSNCSA-N 1 0 280.324 2.025 20 5 CEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])nc2)CCCCC1 ZINC000872629955 649445579 /nfs/dbraw/zinc/44/55/79/649445579.db2.gz VBQRONVHYJZCQT-UHFFFAOYSA-N 1 0 264.329 2.324 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000873078307 649553887 /nfs/dbraw/zinc/55/38/87/649553887.db2.gz HIGUZDFUBQDAHK-CYBMUJFWSA-N 1 0 286.335 2.273 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880132294 651387535 /nfs/dbraw/zinc/38/75/35/651387535.db2.gz OADPYIZTLYMRLZ-HUUCEWRRSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880237048 651406195 /nfs/dbraw/zinc/40/61/95/651406195.db2.gz PAOFQSXOXHIQJD-RISCZKNCSA-N 1 0 282.315 2.310 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881773189 651879640 /nfs/dbraw/zinc/87/96/40/651879640.db2.gz YJCPEOAMVFDHDK-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000881815076 651891607 /nfs/dbraw/zinc/89/16/07/651891607.db2.gz AEQXNLONXXHZNJ-UWVGGRQHSA-N 1 0 280.303 2.168 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000882626630 652165611 /nfs/dbraw/zinc/16/56/11/652165611.db2.gz OHMMATFCWQLPKH-GHMZBOCLSA-N 1 0 289.339 2.137 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882959704 652290152 /nfs/dbraw/zinc/29/01/52/652290152.db2.gz NXSKCWBOUHRZID-JTQLQIEISA-N 1 0 295.339 2.118 20 5 CEBDRO CC[C@@H]([NH2+]CC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130912317 652354753 /nfs/dbraw/zinc/35/47/53/652354753.db2.gz SQLVDEYLOLMIAS-YJYMSZOUSA-N 1 0 284.381 2.404 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000800182362 652677184 /nfs/dbraw/zinc/67/71/84/652677184.db2.gz XCXNMSAQORTNHH-UHFFFAOYSA-N 1 0 295.339 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000884267434 652774376 /nfs/dbraw/zinc/77/43/76/652774376.db2.gz FWMLALAQZQWDJT-NEPJUHHUSA-N 1 0 291.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000884274693 652777053 /nfs/dbraw/zinc/77/70/53/652777053.db2.gz SICVMUTZTHPLKE-JQWIXIFHSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1C ZINC000884301867 652787614 /nfs/dbraw/zinc/78/76/14/652787614.db2.gz FICMVCXMMXAQPO-VXGBXAGGSA-N 1 0 291.351 2.069 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884356121 652809535 /nfs/dbraw/zinc/80/95/35/652809535.db2.gz YZMMKYKIDIZTSQ-OLZOCXBDSA-N 1 0 291.351 2.013 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134398951 652832333 /nfs/dbraw/zinc/83/23/33/652832333.db2.gz UYWWFBONPONUJI-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000135179565 652945015 /nfs/dbraw/zinc/94/50/15/652945015.db2.gz TWOYXDNUORJVAW-QKCSRTOESA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(Cl)nc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165034101 721889097 /nfs/dbraw/zinc/88/90/97/721889097.db2.gz ATZDQPOMNHXBJI-SNVBAGLBSA-N 1 0 298.774 2.482 20 5 CEBDRO Cc1cc(Br)c(O[C@H](C)C[N+](C)(C)C)nn1 ZINC001228318149 806187950 /nfs/dbraw/zinc/18/79/50/806187950.db2.gz URZZWAWEVVESPC-SECBINFHSA-N 1 0 289.197 2.021 20 5 CEBDRO COc1cc([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)cc1F ZINC001168186319 806387022 /nfs/dbraw/zinc/38/70/22/806387022.db2.gz WSGZIFZWISMHRV-UHFFFAOYSA-N 1 0 283.303 2.297 20 5 CEBDRO COc1ccc2c(c1)CC[C@@H](OCC[N+](C)(C)C)C2 ZINC001224774377 806951474 /nfs/dbraw/zinc/95/14/74/806951474.db2.gz RNSKJFOGRTYVLK-MRXNPFEDSA-N 1 0 264.389 2.275 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2cc([N+](=O)[O-])cc(Cl)n2)c1C ZINC001167098277 802472200 /nfs/dbraw/zinc/47/22/00/802472200.db2.gz JYSCQBQNARELOC-UHFFFAOYSA-N 1 0 295.730 2.165 20 5 CEBDRO CC[C@H](O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135037647 803134925 /nfs/dbraw/zinc/13/49/25/803134925.db2.gz MVWGFLMQQWOQRQ-NSHDSACASA-N 1 0 272.732 2.499 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([N+](=O)[O-])cn1 ZINC001167624007 803211911 /nfs/dbraw/zinc/21/19/11/803211911.db2.gz HIKWUNAJZGPMGS-UHFFFAOYSA-N 1 0 278.356 2.475 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000724880325 803330506 /nfs/dbraw/zinc/33/05/06/803330506.db2.gz PCBRATBVKWISQX-LERXQTSPSA-N 1 0 280.324 2.049 20 5 CEBDRO C[NH2+]CCNc1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001167724951 803677715 /nfs/dbraw/zinc/67/77/15/803677715.db2.gz XMWKTSLGOCXNMW-UHFFFAOYSA-N 1 0 295.339 2.181 20 5 CEBDRO CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001268031333 804130614 /nfs/dbraw/zinc/13/06/14/804130614.db2.gz XJTZOJYBYRKLKH-UHFFFAOYSA-N 1 0 297.380 2.195 20 5 CEBDRO N=C(Nc1ccc([N+](=O)[O-])c2cnccc12)SCC[NH3+] ZINC001167914128 804354459 /nfs/dbraw/zinc/35/44/59/804354459.db2.gz HWKGIPFWYCYZIE-UHFFFAOYSA-N 1 0 291.336 2.182 20 5 CEBDRO Cc1ccc(CO[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC001223226879 804361654 /nfs/dbraw/zinc/36/16/54/804361654.db2.gz YLGDKQCSXAMMIV-NSHDSACASA-N 1 0 252.314 2.370 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC001118579339 815026963 /nfs/dbraw/zinc/02/69/63/815026963.db2.gz FDBZFKMKJMDGOC-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO CC[C@@H]1COC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000699439197 807706113 /nfs/dbraw/zinc/70/61/13/807706113.db2.gz OFGQZQDMLMOBHS-OCCSQVGLSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000716910567 815159023 /nfs/dbraw/zinc/15/90/23/815159023.db2.gz SYDFOJFCRHLGAF-ZYHUDNBSSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@@]1(CN2CCc3ccc([N+](=O)[O-])cc3C2)CCC[NH2+]C1 ZINC001120263098 815209118 /nfs/dbraw/zinc/20/91/18/815209118.db2.gz JZIFYFBYUUDOSY-MRXNPFEDSA-N 1 0 289.379 2.343 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C1CC1 ZINC000690209677 808607575 /nfs/dbraw/zinc/60/75/75/808607575.db2.gz BKILOTWJGCLDQA-CYBMUJFWSA-N 1 0 284.743 2.451 20 5 CEBDRO CCC1(Nc2nccc3c2cccc3[N+](=O)[O-])C[NH2+]C1 ZINC001168574682 808646273 /nfs/dbraw/zinc/64/62/73/808646273.db2.gz FPAISXYOXHVDBR-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120474594 815226843 /nfs/dbraw/zinc/22/68/43/815226843.db2.gz KJANCCVMJMBUNC-YPMHNXCESA-N 1 0 294.351 2.113 20 5 CEBDRO CSC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120496170 815229427 /nfs/dbraw/zinc/22/94/27/815229427.db2.gz XJKIVGDTQPIOLU-GFCCVEGCSA-N 1 0 284.381 2.359 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000693050638 808756251 /nfs/dbraw/zinc/75/62/51/808756251.db2.gz NCGKJMFQUYDESZ-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701047565 809383158 /nfs/dbraw/zinc/38/31/58/809383158.db2.gz HLACNPOFILKFTD-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067261 809385076 /nfs/dbraw/zinc/38/50/76/809385076.db2.gz CPHIFWUDZDEIQM-UHFFFAOYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055199 809490043 /nfs/dbraw/zinc/49/00/43/809490043.db2.gz YRKCBKXVKJGOPS-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000703568357 809668532 /nfs/dbraw/zinc/66/85/32/809668532.db2.gz OXVWQMSOSAVNDP-SMDDNHRTSA-N 1 0 295.770 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000704796010 809753437 /nfs/dbraw/zinc/75/34/37/809753437.db2.gz HJADMKWHLFDJIW-RISCZKNCSA-N 1 0 296.392 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2=CCCC2)cc1 ZINC000705397939 809780221 /nfs/dbraw/zinc/78/02/21/809780221.db2.gz DHVMRGUCVAPUDR-CQSZACIVSA-N 1 0 262.309 2.328 20 5 CEBDRO CC1(O)CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000705804804 809789485 /nfs/dbraw/zinc/78/94/85/809789485.db2.gz RNXQOSFZBXVKSN-UHFFFAOYSA-N 1 0 264.325 2.378 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000711223049 810050359 /nfs/dbraw/zinc/05/03/59/810050359.db2.gz DLNIHTOUMZJSHY-GFCCVEGCSA-N 1 0 262.309 2.396 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000711424111 810069781 /nfs/dbraw/zinc/06/97/81/810069781.db2.gz HJRHCHYCVHRYKI-ZDUSSCGKSA-N 1 0 280.324 2.144 20 5 CEBDRO CC(C)N(CCC[NH3+])c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001164127179 810299461 /nfs/dbraw/zinc/29/94/61/810299461.db2.gz PUSOXQUDFWQBRY-UHFFFAOYSA-N 1 0 280.372 2.224 20 5 CEBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001119817031 810548846 /nfs/dbraw/zinc/54/88/46/810548846.db2.gz MLFALJAVSLFMDK-KGLIPLIRSA-N 1 0 282.315 2.254 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)nc2n1C ZINC001231041050 810581638 /nfs/dbraw/zinc/58/16/38/810581638.db2.gz JZLVIYUOISYAEU-SECBINFHSA-N 1 0 283.783 2.095 20 5 CEBDRO Cc1cc(NC(=O)C2=CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001122511288 815419875 /nfs/dbraw/zinc/41/98/75/815419875.db2.gz LGGUBGKXKHBTSS-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO [NH3+]CCc1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168979204 811308901 /nfs/dbraw/zinc/30/89/01/811308901.db2.gz XDVDYXGFYLVCTB-VXGBXAGGSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC001168979523 811309105 /nfs/dbraw/zinc/30/91/05/811309105.db2.gz YZONGKQKZDKVLI-WCQYABFASA-N 1 0 282.315 2.240 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]COc2ccccc2)C1 ZINC001168983741 811310782 /nfs/dbraw/zinc/31/07/82/811310782.db2.gz LCXPVFXPIJFTQL-NWDGAFQWSA-N 1 0 250.298 2.058 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985278 811310850 /nfs/dbraw/zinc/31/08/50/811310850.db2.gz SRGMJFSXBYFGMF-TZMCWYRMSA-N 1 0 276.336 2.294 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001168958922 811312072 /nfs/dbraw/zinc/31/20/72/811312072.db2.gz RHXZABLVRNCZMI-CHWSQXEVSA-N 1 0 294.351 2.239 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001168958923 811312820 /nfs/dbraw/zinc/31/28/20/811312820.db2.gz RHXZABLVRNCZMI-OLZOCXBDSA-N 1 0 294.351 2.239 20 5 CEBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965550 811316748 /nfs/dbraw/zinc/31/67/48/811316748.db2.gz AMQYGABNSRIPAN-CHWSQXEVSA-N 1 0 294.351 2.109 20 5 CEBDRO COC(=O)c1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965875 811317687 /nfs/dbraw/zinc/31/76/87/811317687.db2.gz DDVAAYSIQDANRE-AAEUAGOBSA-N 1 0 292.335 2.008 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC001168968822 811320874 /nfs/dbraw/zinc/32/08/74/811320874.db2.gz AMAQDPACUJAFTH-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974671 811323652 /nfs/dbraw/zinc/32/36/52/811323652.db2.gz SDLJHVIYEXDXGN-YPMHNXCESA-N 1 0 283.416 2.412 20 5 CEBDRO NC(=[NH2+])N(c1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997772 811326886 /nfs/dbraw/zinc/32/68/86/811326886.db2.gz FQZKWXAQGZSLOE-CABZTGNLSA-N 1 0 296.758 2.485 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2CC2CCC2)C1 ZINC001168997434 811327159 /nfs/dbraw/zinc/32/71/59/811327159.db2.gz ZJRYGOMGUMDXDZ-KGLIPLIRSA-N 1 0 292.383 2.218 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc3O2)C1 ZINC001169003121 811329258 /nfs/dbraw/zinc/32/92/58/811329258.db2.gz NROLXWOMEADMKS-AEGPPILISA-N 1 0 290.363 2.415 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008238 811331745 /nfs/dbraw/zinc/33/17/45/811331745.db2.gz SHHGMUSMBMJPSW-TUVASFSCSA-N 1 0 283.416 2.140 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC001169010598 811334063 /nfs/dbraw/zinc/33/40/63/811334063.db2.gz FAMVSBDWDCDFMR-AAEUAGOBSA-N 1 0 276.336 2.196 20 5 CEBDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988593 811337961 /nfs/dbraw/zinc/33/79/61/811337961.db2.gz SSAXWKIECYETOQ-VXGBXAGGSA-N 1 0 286.372 2.001 20 5 CEBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038839 811348188 /nfs/dbraw/zinc/34/81/88/811348188.db2.gz KWTSTBNHLMGPEV-DGCLKSJQSA-N 1 0 292.335 2.293 20 5 CEBDRO COC(=O)CC[N@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026331 811355488 /nfs/dbraw/zinc/35/54/88/811355488.db2.gz KWVLLVLISBOIPQ-GXTWGEPZSA-N 1 0 298.383 2.240 20 5 CEBDRO Cn1ccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169046752 811356614 /nfs/dbraw/zinc/35/66/14/811356614.db2.gz MNZADHALNGWKBQ-JSGCOSHPSA-N 1 0 292.383 2.045 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC001169235662 811454840 /nfs/dbraw/zinc/45/48/40/811454840.db2.gz YYXPVONIAQQNAX-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001169718020 811641311 /nfs/dbraw/zinc/64/13/11/811641311.db2.gz IXNDDIUQQYXUFH-UHFFFAOYSA-N 1 0 286.763 2.207 20 5 CEBDRO COc1cc(NCC[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156377604 811663898 /nfs/dbraw/zinc/66/38/98/811663898.db2.gz BUSRKMADJFWDMF-LLVKDONJSA-N 1 0 294.355 2.142 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000689351306 812327521 /nfs/dbraw/zinc/32/75/21/812327521.db2.gz WEVFPRSDWQALNU-YGRLFVJLSA-N 1 0 282.315 2.327 20 5 CEBDRO COc1ccc(C[C@@H](C)n2nccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170294911 812375594 /nfs/dbraw/zinc/37/55/94/812375594.db2.gz FENITXIEFDJOGO-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC001170319783 812387799 /nfs/dbraw/zinc/38/77/99/812387799.db2.gz ZCLIUBRAMDYRHK-NEPJUHHUSA-N 1 0 296.367 2.143 20 5 CEBDRO COCC1C[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329796 812388451 /nfs/dbraw/zinc/38/84/51/812388451.db2.gz UTKIFXFNTFIJCQ-LLVKDONJSA-N 1 0 294.351 2.113 20 5 CEBDRO COc1ccc(C[C@@H](C)N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329386 812388884 /nfs/dbraw/zinc/38/88/84/812388884.db2.gz PWYDHYJNOOCJAT-GFCCVEGCSA-N 1 0 295.383 2.028 20 5 CEBDRO COC[C@H]1CC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355377 812392260 /nfs/dbraw/zinc/39/22/60/812392260.db2.gz BXERBOBEHWDKCM-DGCLKSJQSA-N 1 0 294.351 2.255 20 5 CEBDRO COCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899015 815539972 /nfs/dbraw/zinc/53/99/72/815539972.db2.gz RZABWCZHGPXJSK-ZDUSSCGKSA-N 1 0 264.325 2.078 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)C1CC1)CC2 ZINC001172904652 815540649 /nfs/dbraw/zinc/54/06/49/815540649.db2.gz ZCLLPPGRPZPZEL-HOCLYGCPSA-N 1 0 290.363 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(F)COC1)CC2 ZINC001172902531 815540686 /nfs/dbraw/zinc/54/06/86/815540686.db2.gz ZIRMROFVQBEGTN-ZDUSSCGKSA-N 1 0 294.326 2.170 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913847 815543586 /nfs/dbraw/zinc/54/35/86/815543586.db2.gz ZLDIIJGURRTSHT-SMDDNHRTSA-N 1 0 278.352 2.467 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000106102005 813121092 /nfs/dbraw/zinc/12/10/92/813121092.db2.gz LAOSNDQCLLFUOX-CYBMUJFWSA-N 1 0 262.265 2.011 20 5 CEBDRO CN(c1ccc2c(cccc2[N+](=O)[O-])n1)C(C)(C)C[NH3+] ZINC001159054195 813205577 /nfs/dbraw/zinc/20/55/77/813205577.db2.gz HGRYOEAENMFZNB-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1ncnc2cc3ccccc3cc21 ZINC001170859529 813545477 /nfs/dbraw/zinc/54/54/77/813545477.db2.gz SEFBAUDDFXCOGU-MRXNPFEDSA-N 1 0 282.347 2.252 20 5 CEBDRO COc1cccc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171324219 814541120 /nfs/dbraw/zinc/54/11/20/814541120.db2.gz CKMHKSVCTIHTFR-UHFFFAOYSA-N 1 0 298.302 2.401 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001116009072 814764050 /nfs/dbraw/zinc/76/40/50/814764050.db2.gz NOPVOVBDXMRATM-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000714657002 814911726 /nfs/dbraw/zinc/91/17/26/814911726.db2.gz UUPRMZRTWSVEQJ-HAQNSBGRSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1ccnc1 ZINC001173217281 815623384 /nfs/dbraw/zinc/62/33/84/815623384.db2.gz RMNCEMVWWMFAEO-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccnc1CC[NH3+] ZINC001173215143 815623517 /nfs/dbraw/zinc/62/35/17/815623517.db2.gz SYLNLBKRLDWWPB-NSHDSACASA-N 1 0 274.324 2.096 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173216250 815623657 /nfs/dbraw/zinc/62/36/57/815623657.db2.gz HTGNVEKAHFAMSD-MPKXVKKWSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc[nH]c1=O ZINC001173218532 815624708 /nfs/dbraw/zinc/62/47/08/815624708.db2.gz KLCNVDPJIWYHGV-LLVKDONJSA-N 1 0 287.319 2.416 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC001173222859 815628226 /nfs/dbraw/zinc/62/82/26/815628226.db2.gz ZXCQAFOPMZVMOS-SWHYSGLUSA-N 1 0 278.352 2.275 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC001173224833 815629225 /nfs/dbraw/zinc/62/92/25/815629225.db2.gz HBSBATUUNXUTPL-ZENOOKHLSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC001173226242 815629534 /nfs/dbraw/zinc/62/95/34/815629534.db2.gz LMUVDKTYNNPJBU-TZMCWYRMSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC001173226890 815630852 /nfs/dbraw/zinc/63/08/52/815630852.db2.gz DALXBFKVVXIGIL-WDEREUQCSA-N 1 0 266.341 2.275 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C)CC1 ZINC001173228930 815631690 /nfs/dbraw/zinc/63/16/90/815631690.db2.gz NTFCFWOVXHQCRZ-CYBMUJFWSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])cn1 ZINC001173233485 815632573 /nfs/dbraw/zinc/63/25/73/815632573.db2.gz JHHVEMRZZHMCFB-NSHDSACASA-N 1 0 274.324 2.096 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCF)CC1 ZINC001173233295 815632736 /nfs/dbraw/zinc/63/27/36/815632736.db2.gz KMPOMZXVMKWSBJ-CYBMUJFWSA-N 1 0 295.358 2.113 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC[C@H]1F ZINC001173234780 815634468 /nfs/dbraw/zinc/63/44/68/815634468.db2.gz PXUDDNQUHDMUCV-LERXQTSPSA-N 1 0 282.315 2.242 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000449065269 282086135 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C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000125958446 365693549 /nfs/dbraw/zinc/69/35/49/365693549.db2.gz CYXUQQLRPNTSMB-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294986379 199286432 /nfs/dbraw/zinc/28/64/32/199286432.db2.gz HCNKPZHVUIXMGC-JQWIXIFHSA-N 1 0 288.294 2.397 20 5 CEBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000045770829 362166834 /nfs/dbraw/zinc/16/68/34/362166834.db2.gz DTCZOTYEMAGRKD-UHFFFAOYSA-N 1 0 278.308 2.446 20 5 CEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000036257416 343423454 /nfs/dbraw/zinc/42/34/54/343423454.db2.gz NCQAKZJXITZNFK-SECBINFHSA-N 1 0 295.364 2.061 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449507322 282262881 /nfs/dbraw/zinc/26/28/81/282262881.db2.gz LVTJPILQLJUPSS-GDBMZVCRSA-N 1 0 290.363 2.482 20 5 CEBDRO Cc1nn(C)c(NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000047331111 343514171 /nfs/dbraw/zinc/51/41/71/343514171.db2.gz HKPVZDGZZKFSFL-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO CCc1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414367409 529755775 /nfs/dbraw/zinc/75/57/75/529755775.db2.gz QMSMQYFDEFTFBW-UHFFFAOYSA-N 1 0 286.335 2.280 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000063466495 343677514 /nfs/dbraw/zinc/67/75/14/343677514.db2.gz DKVWLLIFLAOOAC-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060524309 343659499 /nfs/dbraw/zinc/65/94/99/343659499.db2.gz IABIGJYXBSTIRD-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449589036 282294646 /nfs/dbraw/zinc/29/46/46/282294646.db2.gz RQLKKPIUWJEYCT-LBPRGKRZSA-N 1 0 288.351 2.358 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066138326 343708163 /nfs/dbraw/zinc/70/81/63/343708163.db2.gz PKLTVPOILPSMNW-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000602169069 346986968 /nfs/dbraw/zinc/98/69/68/346986968.db2.gz DLNNGYOQAMFSAS-PHIMTYICSA-N 1 0 295.364 2.013 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000077656691 343928593 /nfs/dbraw/zinc/92/85/93/343928593.db2.gz IBIDOJNIKXBASE-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000449649660 282318742 /nfs/dbraw/zinc/31/87/42/282318742.db2.gz SFADTMHUDBOOQY-DGCLKSJQSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449643852 282316865 /nfs/dbraw/zinc/31/68/65/282316865.db2.gz ZKGJYVOJOQYSHB-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1sc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449646045 282317287 /nfs/dbraw/zinc/31/72/87/282317287.db2.gz MZPYCPLDMIUAGF-NXEZZACHSA-N 1 0 297.380 2.212 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCO2)cc1 ZINC000048548663 362283808 /nfs/dbraw/zinc/28/38/08/362283808.db2.gz MTIDDVIJIXOTCQ-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO COCC[N@@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701213 344112928 /nfs/dbraw/zinc/11/29/28/344112928.db2.gz NMXJIXUPSKYGHO-UHFFFAOYSA-N 1 0 293.367 2.062 20 5 CEBDRO CCc1nn(C)c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000091733654 344171241 /nfs/dbraw/zinc/17/12/41/344171241.db2.gz NOVOTJWIGYKTHQ-WDEREUQCSA-N 1 0 295.387 2.175 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413675 344139317 /nfs/dbraw/zinc/13/93/17/344139317.db2.gz SYTZYXCQTGBMFK-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413088 344139630 /nfs/dbraw/zinc/13/96/30/344139630.db2.gz BEXRFFFGRZYEID-RISCZKNCSA-N 1 0 291.351 2.175 20 5 CEBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000093436955 344223530 /nfs/dbraw/zinc/22/35/30/344223530.db2.gz DVOZCZJPTDPPNU-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469394 347045889 /nfs/dbraw/zinc/04/58/89/347045889.db2.gz UVIJIKVROYUJJY-NSHDSACASA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122407229 344306577 /nfs/dbraw/zinc/30/65/77/344306577.db2.gz FDMZEHQYUSXDSM-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000122537640 344307021 /nfs/dbraw/zinc/30/70/21/344307021.db2.gz GENUIXDYRNEOQB-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@]1(C)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473104 347048049 /nfs/dbraw/zinc/04/80/49/347048049.db2.gz JUJVMCWGYBZQAA-CYBMUJFWSA-N 1 0 266.345 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@H]1CO ZINC000157055943 344444770 /nfs/dbraw/zinc/44/47/70/344444770.db2.gz AELQICKNUBKMJQ-ZDUSSCGKSA-N 1 0 264.325 2.332 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160108650 344457023 /nfs/dbraw/zinc/45/70/23/344457023.db2.gz QZUYGWFABZXEMU-CQSZACIVSA-N 1 0 266.341 2.134 20 5 CEBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161520291 344464447 /nfs/dbraw/zinc/46/44/47/344464447.db2.gz IMBOBKRUIUALNN-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000170741107 344489141 /nfs/dbraw/zinc/48/91/41/344489141.db2.gz BDJPLHYOWMOZOS-LBPRGKRZSA-N 1 0 281.381 2.326 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000051916652 362447927 /nfs/dbraw/zinc/44/79/27/362447927.db2.gz VPSFZIKBTPDJJL-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000052128040 362467178 /nfs/dbraw/zinc/46/71/78/362467178.db2.gz VRFOFCRLYVFUSM-UHFFFAOYSA-N 1 0 288.307 2.487 20 5 CEBDRO Cc1n[nH]cc1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602509933 347061943 /nfs/dbraw/zinc/06/19/43/347061943.db2.gz HZBOXUIRLHZFAX-UHFFFAOYSA-N 1 0 288.351 2.391 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000602517014 347064155 /nfs/dbraw/zinc/06/41/55/347064155.db2.gz VEFZPLLTPFAXGJ-UHFFFAOYSA-N 1 0 272.308 2.285 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000308658257 344728026 /nfs/dbraw/zinc/72/80/26/344728026.db2.gz LNMLTTSTERPBEX-UHFFFAOYSA-N 1 0 289.339 2.290 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000313040362 344740750 /nfs/dbraw/zinc/74/07/50/344740750.db2.gz GCAOOKKBIMTIBX-MNOVXSKESA-N 1 0 279.315 2.373 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH3+] ZINC000313445294 344742234 /nfs/dbraw/zinc/74/22/34/344742234.db2.gz BDUINTVHMWQDMM-QMTHXVAHSA-N 1 0 281.331 2.293 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313850146 344744055 /nfs/dbraw/zinc/74/40/55/344744055.db2.gz SBIJRXBHTAHUEA-GFCCVEGCSA-N 1 0 293.302 2.174 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)CC2)c(F)c1 ZINC000293317180 344692079 /nfs/dbraw/zinc/69/20/79/344692079.db2.gz XKCWRYFZCGMBPP-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCCO3)nc2c1 ZINC000602522413 347065966 /nfs/dbraw/zinc/06/59/66/347065966.db2.gz UECWNXXLCVBCFC-NSHDSACASA-N 1 0 291.307 2.395 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000602555991 347075499 /nfs/dbraw/zinc/07/54/99/347075499.db2.gz SKALBZROXGGURH-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CCCO)C2)c(F)c1 ZINC000449791715 282369674 /nfs/dbraw/zinc/36/96/74/282369674.db2.gz PZHWRTRKRHXLBW-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301025 344872171 /nfs/dbraw/zinc/87/21/71/344872171.db2.gz JPKQSESOGLSPPT-JFGNBEQYSA-N 1 0 250.298 2.423 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000602577592 347085544 /nfs/dbraw/zinc/08/55/44/347085544.db2.gz WQFCSVWPLZQAQG-MQMHXKEQSA-N 1 0 264.325 2.030 20 5 CEBDRO Cc1cc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000602577052 347085837 /nfs/dbraw/zinc/08/58/37/347085837.db2.gz FTCQPPGRVDZSRB-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)C(C)C ZINC000054128166 362514239 /nfs/dbraw/zinc/51/42/39/362514239.db2.gz TVOIEYCAIMQSMZ-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CCN1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000588006064 345033715 /nfs/dbraw/zinc/03/37/15/345033715.db2.gz PBGHWVXKJPUVSM-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071834 345037627 /nfs/dbraw/zinc/03/76/27/345037627.db2.gz CWJSBEJBSXFIMO-VXGBXAGGSA-N 1 0 276.340 2.053 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncccc2O)cc1 ZINC000589168842 345068677 /nfs/dbraw/zinc/06/86/77/345068677.db2.gz IGDGPGUOXQBSFW-UHFFFAOYSA-N 1 0 273.292 2.028 20 5 CEBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000057395215 362580403 /nfs/dbraw/zinc/58/04/03/362580403.db2.gz WJJCOADXBAZCDM-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197203 362557364 /nfs/dbraw/zinc/55/73/64/362557364.db2.gz VDPBKCSTQLPPNL-VXGBXAGGSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590402637 345133425 /nfs/dbraw/zinc/13/34/25/345133425.db2.gz GBBDSKXJBZWWHY-AAEUAGOBSA-N 1 0 291.351 2.068 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590568674 345145795 /nfs/dbraw/zinc/14/57/95/345145795.db2.gz JDXRTJWUZJJWDE-KCJUWKMLSA-N 1 0 284.747 2.172 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000591146292 345224457 /nfs/dbraw/zinc/22/44/57/345224457.db2.gz XTOAYNXYYWICIX-SNVBAGLBSA-N 1 0 280.303 2.025 20 5 CEBDRO CC1(C)CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000591444536 345256170 /nfs/dbraw/zinc/25/61/70/345256170.db2.gz LGMQAPGIPPGMEW-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC[NH2+]3)CC2)c1 ZINC000591560558 345264128 /nfs/dbraw/zinc/26/41/28/345264128.db2.gz TXAZSSGSYWOJQA-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO Cc1ccc([C@@H](C)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577212 345265181 /nfs/dbraw/zinc/26/51/81/345265181.db2.gz BIPMHNTXWRXNCU-LLVKDONJSA-N 1 0 263.341 2.306 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)[NH3+] ZINC000591581569 345266752 /nfs/dbraw/zinc/26/67/52/345266752.db2.gz ZKUHXKQDPOVBRT-WDEREUQCSA-N 1 0 283.397 2.402 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000591757322 345277552 /nfs/dbraw/zinc/27/75/52/345277552.db2.gz NUJUJBLFYRQSEC-RISCZKNCSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000127390682 187302298 /nfs/dbraw/zinc/30/22/98/187302298.db2.gz IUHUVWLIZPRJSN-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)c(F)c1 ZINC000592437322 345353611 /nfs/dbraw/zinc/35/36/11/345353611.db2.gz HEMIJLDETPJSGB-CQSZACIVSA-N 1 0 293.342 2.498 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592494227 345360406 /nfs/dbraw/zinc/36/04/06/345360406.db2.gz MYSRJLNAAHLZAY-ZDUSSCGKSA-N 1 0 275.352 2.169 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000592169638 345333909 /nfs/dbraw/zinc/33/39/09/345333909.db2.gz DJXGAYILQXBCFT-XYPYZODXSA-N 1 0 278.356 2.434 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295113170 199351791 /nfs/dbraw/zinc/35/17/91/199351791.db2.gz XNPXHEQYEYTQNY-TVQRCGJNSA-N 1 0 281.356 2.377 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295113167 199351762 /nfs/dbraw/zinc/35/17/62/199351762.db2.gz XNPXHEQYEYTQNY-NOZJJQNGSA-N 1 0 281.356 2.377 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000593471742 345493205 /nfs/dbraw/zinc/49/32/05/345493205.db2.gz ZSJZWPXRKWIGML-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)CC(F)(F)F)cc1 ZINC000602579178 347086388 /nfs/dbraw/zinc/08/63/88/347086388.db2.gz IEJHVVBYHWSVQF-JTQLQIEISA-N 1 0 292.257 2.040 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000127449025 187306448 /nfs/dbraw/zinc/30/64/48/187306448.db2.gz NUTFKLPZKJTWNR-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000594600480 345656912 /nfs/dbraw/zinc/65/69/12/345656912.db2.gz LJZOJOQEWRAYTC-STQMWFEESA-N 1 0 276.340 2.419 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595105756 345742766 /nfs/dbraw/zinc/74/27/66/345742766.db2.gz XZGUTXNORIATKB-YUSALJHKSA-N 1 0 280.324 2.167 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000595311913 345759929 /nfs/dbraw/zinc/75/99/29/345759929.db2.gz JLPAXOUYFPPBTP-JTQLQIEISA-N 1 0 270.304 2.325 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920958 345702599 /nfs/dbraw/zinc/70/25/99/345702599.db2.gz NHOHMCDOKAQAHL-DGCLKSJQSA-N 1 0 280.324 2.261 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594968061 345719387 /nfs/dbraw/zinc/71/93/87/345719387.db2.gz DJWUPYKTDTWGRS-AULYBMBSSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000594973052 345720408 /nfs/dbraw/zinc/72/04/08/345720408.db2.gz CBULEAQGLXSBBU-ONEGZZNKSA-N 1 0 264.325 2.356 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C3)o2)cc1 ZINC000595000971 345723880 /nfs/dbraw/zinc/72/38/80/345723880.db2.gz OBZPLQWRJFDROU-AULYBMBSSA-N 1 0 288.303 2.468 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)COC1 ZINC000595015340 345727566 /nfs/dbraw/zinc/72/75/66/345727566.db2.gz CDSCPXVDVOEVFH-SNVBAGLBSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000595018083 345728247 /nfs/dbraw/zinc/72/82/47/345728247.db2.gz PTZNTINSAQKYJU-GHMZBOCLSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000595046477 345734315 /nfs/dbraw/zinc/73/43/15/345734315.db2.gz ZYGKULODMDVESP-PKFCDNJMSA-N 1 0 280.324 2.167 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)C1CCC1 ZINC000595056176 345736226 /nfs/dbraw/zinc/73/62/26/345736226.db2.gz BVNKUSSSTAPPMQ-KBPBESRZSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C\CO)C1CC1 ZINC000595066832 345738666 /nfs/dbraw/zinc/73/86/66/345738666.db2.gz FIQRKDVUWOLWOR-VQTKUKTRSA-N 1 0 276.336 2.054 20 5 CEBDRO Cc1noc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000595326386 345761956 /nfs/dbraw/zinc/76/19/56/345761956.db2.gz KBXVZACIBZOXSU-GFCCVEGCSA-N 1 0 296.371 2.197 20 5 CEBDRO Cc1noc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000595326401 345762291 /nfs/dbraw/zinc/76/22/91/345762291.db2.gz KBXVZACIBZOXSU-LBPRGKRZSA-N 1 0 296.371 2.197 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595389164 345772513 /nfs/dbraw/zinc/77/25/13/345772513.db2.gz LZIWRZUECZSZAX-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407148 345775226 /nfs/dbraw/zinc/77/52/26/345775226.db2.gz HYTBEXRJQJIEFS-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457898 345788386 /nfs/dbraw/zinc/78/83/86/345788386.db2.gz CWSPIQVBBWZOOM-JOYOIKCWSA-N 1 0 268.288 2.249 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595488752 345793774 /nfs/dbraw/zinc/79/37/74/345793774.db2.gz CQDXFVUPOMIQRN-CYBMUJFWSA-N 1 0 270.304 2.231 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510890 345800211 /nfs/dbraw/zinc/80/02/11/345800211.db2.gz DPUSTUUUINIDPA-WQAKAFBOSA-N 1 0 295.339 2.184 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595519668 345802030 /nfs/dbraw/zinc/80/20/30/345802030.db2.gz BDVRLVFHWKDFKF-DGCLKSJQSA-N 1 0 268.288 2.391 20 5 CEBDRO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595743507 345864146 /nfs/dbraw/zinc/86/41/46/345864146.db2.gz NCOSGCVARLOHAW-HBYGRHMLSA-N 1 0 294.351 2.052 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595829376 345888772 /nfs/dbraw/zinc/88/87/72/345888772.db2.gz HJAQJOHZDGSILA-QWHCGFSZSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1O ZINC000595748825 345865753 /nfs/dbraw/zinc/86/57/53/345865753.db2.gz IBMDJLPBOPLPON-QWRGUYRKSA-N 1 0 264.325 2.044 20 5 CEBDRO Cc1cc(N[C@H](C)CC(N)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167383027 232265500 /nfs/dbraw/zinc/26/55/00/232265500.db2.gz NFSZILXGKWRZFA-SECBINFHSA-N 1 0 288.307 2.127 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757097 345868167 /nfs/dbraw/zinc/86/81/67/345868167.db2.gz ZDRXFDOFGFUENM-GXTWGEPZSA-N 1 0 262.309 2.063 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595764881 345870493 /nfs/dbraw/zinc/87/04/93/345870493.db2.gz FVPUZOIRUZOASE-QWHCGFSZSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595861406 345900527 /nfs/dbraw/zinc/90/05/27/345900527.db2.gz VLMAQBSCARUCLN-YGRLFVJLSA-N 1 0 282.315 2.184 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596096005 345939254 /nfs/dbraw/zinc/93/92/54/345939254.db2.gz SXEUIEWJYQJRSI-LLVKDONJSA-N 1 0 294.355 2.228 20 5 CEBDRO COCCC[N@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596143174 345950258 /nfs/dbraw/zinc/95/02/58/345950258.db2.gz ZDMIQJCRBKYZFG-UHFFFAOYSA-N 1 0 287.385 2.345 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCCN(C)CCC[NH+](C)C ZINC000596425857 346020072 /nfs/dbraw/zinc/02/00/72/346020072.db2.gz XFYQWTZYQKJINI-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596482459 346035349 /nfs/dbraw/zinc/03/53/49/346035349.db2.gz SQTNVEWOMBWGHT-GFCCVEGCSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596842648 346095401 /nfs/dbraw/zinc/09/54/01/346095401.db2.gz OPZJEAPCOJKMAS-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000597252917 346162984 /nfs/dbraw/zinc/16/29/84/346162984.db2.gz CBRZEVVJIVUAQF-DAXSKMNVSA-N 1 0 276.336 2.455 20 5 CEBDRO C[NH2+]C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCC1 ZINC000598634102 346388888 /nfs/dbraw/zinc/38/88/88/346388888.db2.gz PFUKAARGBQTGKF-UHFFFAOYSA-N 1 0 293.352 2.154 20 5 CEBDRO Cc1c(CN2C[C@H]3CCC[C@]3([NH3+])C2)cccc1[N+](=O)[O-] ZINC000598682512 346400395 /nfs/dbraw/zinc/40/03/95/346400395.db2.gz OAJHYZVNBZZROJ-HIFRSBDPSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598684388 346400484 /nfs/dbraw/zinc/40/04/84/346400484.db2.gz WMCQKMNGQONLKA-LALPHHSUSA-N 1 0 275.352 2.469 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599004002 346444880 /nfs/dbraw/zinc/44/48/80/346444880.db2.gz OZQWJOONOOHSHF-HAQNSBGRSA-N 1 0 291.351 2.072 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599014406 346445867 /nfs/dbraw/zinc/44/58/67/346445867.db2.gz ABHKMPRDQIGYSP-BJHJDKERSA-N 1 0 250.298 2.109 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916442 346433933 /nfs/dbraw/zinc/43/39/33/346433933.db2.gz YUIMJOGGXRWNKQ-VIFPVBQESA-N 1 0 298.318 2.229 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000598916286 346433971 /nfs/dbraw/zinc/43/39/71/346433971.db2.gz WXENHISRLAOHJN-LLVKDONJSA-N 1 0 298.730 2.107 20 5 CEBDRO CC[C@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599078787 346456407 /nfs/dbraw/zinc/45/64/07/346456407.db2.gz BALOMAUJUPLZQU-ZDUSSCGKSA-N 1 0 250.298 2.282 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1COC1)C1CC1 ZINC000599082151 346457133 /nfs/dbraw/zinc/45/71/33/346457133.db2.gz RIWGBXGESQJACW-CQSZACIVSA-N 1 0 276.336 2.152 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599094170 346459015 /nfs/dbraw/zinc/45/90/15/346459015.db2.gz ZCNRQSOOGGLHQT-CYDGBPFRSA-N 1 0 294.355 2.042 20 5 CEBDRO CCC(CC)[NH2+]CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000599097041 346459697 /nfs/dbraw/zinc/45/96/97/346459697.db2.gz DGLNXOHNGCYEQT-UHFFFAOYSA-N 1 0 291.355 2.083 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000599674018 346560713 /nfs/dbraw/zinc/56/07/13/346560713.db2.gz YJTOHXNZQRUKCM-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(C)COC1 ZINC000599572730 346540574 /nfs/dbraw/zinc/54/05/74/346540574.db2.gz AQQLEYFHYGLLBF-UHFFFAOYSA-N 1 0 280.324 2.072 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599603401 346544427 /nfs/dbraw/zinc/54/44/27/346544427.db2.gz GDWCGCXQTOPITQ-WDEREUQCSA-N 1 0 292.339 2.084 20 5 CEBDRO Cc1cc(C(=O)NCC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000129067396 365821878 /nfs/dbraw/zinc/82/18/78/365821878.db2.gz UMTUYOPBNUSHFI-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+][C@H]1CC ZINC000600678740 346672063 /nfs/dbraw/zinc/67/20/63/346672063.db2.gz UBPOHWQRNINHCT-UONOGXRCSA-N 1 0 293.367 2.224 20 5 CEBDRO COc1ccc(CN2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000600716129 346677228 /nfs/dbraw/zinc/67/72/28/346677228.db2.gz WNQNVEFWEUIHKQ-CQSZACIVSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601111743 346756369 /nfs/dbraw/zinc/75/63/69/346756369.db2.gz ZWIULSBSYKIYJW-UHFFFAOYSA-N 1 0 282.319 2.096 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000601120138 346759188 /nfs/dbraw/zinc/75/91/88/346759188.db2.gz GFSPJELKXJFQDB-NSHDSACASA-N 1 0 294.330 2.051 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000336813332 365853615 /nfs/dbraw/zinc/85/36/15/365853615.db2.gz UHLSVLGUGLVKPV-CYBMUJFWSA-N 1 0 264.325 2.250 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602635710 347116279 /nfs/dbraw/zinc/11/62/79/347116279.db2.gz BKOWXGRKAODOOF-LLVKDONJSA-N 1 0 292.339 2.376 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602637701 347117469 /nfs/dbraw/zinc/11/74/69/347117469.db2.gz PFDWBUZZDKTIRT-AWEZNQCLSA-N 1 0 292.339 2.376 20 5 CEBDRO Cn1cc(C[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602639972 347117865 /nfs/dbraw/zinc/11/78/65/347117865.db2.gz NCZVSCCGASZAAP-UHFFFAOYSA-N 1 0 284.385 2.046 20 5 CEBDRO CC[C@@](C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000602639521 347118041 /nfs/dbraw/zinc/11/80/41/347118041.db2.gz JYQUEERSHLEVFG-AWEZNQCLSA-N 1 0 296.371 2.243 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000128468209 187372346 /nfs/dbraw/zinc/37/23/46/187372346.db2.gz PKTKOLDYHASSOM-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602801321 347205094 /nfs/dbraw/zinc/20/50/94/347205094.db2.gz NPONDXWOZUKFPN-SNVBAGLBSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@@H]1OCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602826040 347214325 /nfs/dbraw/zinc/21/43/25/347214325.db2.gz VSFVXTDGJLXKDV-JSGCOSHPSA-N 1 0 278.352 2.494 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000602842720 347221555 /nfs/dbraw/zinc/22/15/55/347221555.db2.gz SBLPSIFPBLTYDF-BETUJISGSA-N 1 0 278.356 2.222 20 5 CEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000604379718 347412297 /nfs/dbraw/zinc/41/22/97/347412297.db2.gz IBWOLZDNUJGKMM-TUAOUCFPSA-N 1 0 295.387 2.107 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CC(C)C ZINC000603421950 347366407 /nfs/dbraw/zinc/36/64/07/347366407.db2.gz FFGBMPMCKXRUJB-CYBMUJFWSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000603427060 347367656 /nfs/dbraw/zinc/36/76/56/347367656.db2.gz LNQJTLNYKZVVIY-RYUDHWBXSA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604551832 347422447 /nfs/dbraw/zinc/42/24/47/347422447.db2.gz FZMMOPYARAUTKW-VIFPVBQESA-N 1 0 297.380 2.116 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000568511452 299140267 /nfs/dbraw/zinc/14/02/67/299140267.db2.gz MUCYGVCGDJBMBH-NXEZZACHSA-N 1 0 280.328 2.151 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000308648432 232695382 /nfs/dbraw/zinc/69/53/82/232695382.db2.gz RCPQLAKRVIHCML-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO CN(CCOC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000610161013 347661822 /nfs/dbraw/zinc/66/18/22/347661822.db2.gz INANEMGRLOCBTG-CQSZACIVSA-N 1 0 294.351 2.222 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000608909396 347623690 /nfs/dbraw/zinc/62/36/90/347623690.db2.gz MYCKWOLGFOWTNL-SNVBAGLBSA-N 1 0 267.354 2.331 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609595650 347645994 /nfs/dbraw/zinc/64/59/94/347645994.db2.gz XBEIPXVQOHTFHX-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCC3)CC2)cn1 ZINC000609802309 347651583 /nfs/dbraw/zinc/65/15/83/347651583.db2.gz RSDZFJXXVQBOON-UHFFFAOYSA-N 1 0 290.367 2.491 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609833625 347652371 /nfs/dbraw/zinc/65/23/71/347652371.db2.gz PYMKHJLOPBZUHZ-CYBMUJFWSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[NH+]1CCN([C@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514943 347687892 /nfs/dbraw/zinc/68/78/92/347687892.db2.gz OAOXDSKNDBVWBE-LLVKDONJSA-N 1 0 298.412 2.094 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610821111 347716444 /nfs/dbraw/zinc/71/64/44/347716444.db2.gz FDRVXFHNOYHWTF-SNVBAGLBSA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337472 347767547 /nfs/dbraw/zinc/76/75/47/347767547.db2.gz MSJGISWCQMLZDW-GXFFZTMASA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337422 347767718 /nfs/dbraw/zinc/76/77/18/347767718.db2.gz CGYMIXUSZWYCDI-ZWNOBZJWSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CCCCC1 ZINC000611463040 347781826 /nfs/dbraw/zinc/78/18/26/347781826.db2.gz PLZHPBPJGKNVHU-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](C)C ZINC000610892336 347721288 /nfs/dbraw/zinc/72/12/88/347721288.db2.gz CRYZFJLJIJMAOV-NSHDSACASA-N 1 0 291.351 2.036 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000611116277 347740836 /nfs/dbraw/zinc/74/08/36/347740836.db2.gz RUSVEEIAWPBHOJ-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000612576506 347903299 /nfs/dbraw/zinc/90/32/99/347903299.db2.gz RQTRAYNCIIFIEM-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086700398 179321402 /nfs/dbraw/zinc/32/14/02/179321402.db2.gz JGHAUDAIXRCORK-AWEZNQCLSA-N 1 0 282.340 2.234 20 5 CEBDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000336895133 365939574 /nfs/dbraw/zinc/93/95/74/365939574.db2.gz MOJYZTUQNPBFGS-IAQYHMDHSA-N 1 0 294.351 2.244 20 5 CEBDRO COCCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000351881567 219236890 /nfs/dbraw/zinc/23/68/90/219236890.db2.gz NIPMUOCERJMFPX-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000613776709 348100190 /nfs/dbraw/zinc/10/01/90/348100190.db2.gz ORINODZFZYSSIN-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO CSc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295149158 199373225 /nfs/dbraw/zinc/37/32/25/199373225.db2.gz CMZYGFNGBZMHEP-VIFPVBQESA-N 1 0 297.380 2.174 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])s1 ZINC000615488974 348335825 /nfs/dbraw/zinc/33/58/25/348335825.db2.gz NTVKCDXLCOZZRV-UHFFFAOYSA-N 1 0 273.358 2.037 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273382494 192133236 /nfs/dbraw/zinc/13/32/36/192133236.db2.gz MWWCNSPKEWZZLC-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO Cc1c(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339622042 215272526 /nfs/dbraw/zinc/27/25/26/215272526.db2.gz MBUZFFDTAYJLOE-RYUDHWBXSA-N 1 0 277.368 2.428 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823377 349238032 /nfs/dbraw/zinc/23/80/32/349238032.db2.gz YQDTZMMZWUQRBP-UONOGXRCSA-N 1 0 291.351 2.256 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823353 349238091 /nfs/dbraw/zinc/23/80/91/349238091.db2.gz WDUKSQFVTLKCCC-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO O=C(NCC12CCC[NH+]1CCC2)c1csc([N+](=O)[O-])c1 ZINC000619574031 349201727 /nfs/dbraw/zinc/20/17/27/349201727.db2.gz KUZBRCQHZWDJPH-UHFFFAOYSA-N 1 0 295.364 2.015 20 5 CEBDRO CCC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552242 180002873 /nfs/dbraw/zinc/00/28/73/180002873.db2.gz LDJQDIWIIILVEA-ZDUSSCGKSA-N 1 0 293.367 2.269 20 5 CEBDRO Cc1cnc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692220 180024598 /nfs/dbraw/zinc/02/45/98/180024598.db2.gz APZITIFCRUDUTE-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774021 180038865 /nfs/dbraw/zinc/03/88/65/180038865.db2.gz JJCMPJZQGFCINQ-GHMZBOCLSA-N 1 0 250.298 2.343 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+](CC)CC ZINC000091555053 180189525 /nfs/dbraw/zinc/18/95/25/180189525.db2.gz KRCJKGMAUZMMTN-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO Cc1cc(C(=O)N(C)C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000091845722 180270339 /nfs/dbraw/zinc/27/03/39/180270339.db2.gz PHDJNFLYCVNMFW-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000493710057 290900145 /nfs/dbraw/zinc/90/01/45/290900145.db2.gz RTNHERNHZZZONK-GJZGRUSLSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393837 180375861 /nfs/dbraw/zinc/37/58/61/180375861.db2.gz MSFBTQAKJLQLLM-GXFFZTMASA-N 1 0 252.314 2.262 20 5 CEBDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204397 219360387 /nfs/dbraw/zinc/36/03/87/219360387.db2.gz XPUPIDHHLKBVAB-MNOVXSKESA-N 1 0 252.314 2.359 20 5 CEBDRO CCOCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000107679397 186185221 /nfs/dbraw/zinc/18/52/21/186185221.db2.gz UMRPFFFHSVXZIB-UHFFFAOYSA-N 1 0 252.314 2.453 20 5 CEBDRO CCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000109391126 186250953 /nfs/dbraw/zinc/25/09/53/186250953.db2.gz LZYMRFVDYSTKGP-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000110647964 186310209 /nfs/dbraw/zinc/31/02/09/186310209.db2.gz DLVGUOWGYTVOOU-SNVBAGLBSA-N 1 0 292.339 2.186 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000109805112 186273925 /nfs/dbraw/zinc/27/39/25/186273925.db2.gz PRDHRDUYIBPHFE-ZDUSSCGKSA-N 1 0 263.341 2.121 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131473636 366056340 /nfs/dbraw/zinc/05/63/40/366056340.db2.gz JRIVLYKCKCCGSY-WOPDTQHZSA-N 1 0 263.341 2.325 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000122915284 187059618 /nfs/dbraw/zinc/05/96/18/187059618.db2.gz GQFUMXAAPMSMEH-RISCZKNCSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000271607233 191237522 /nfs/dbraw/zinc/23/75/22/191237522.db2.gz AKYRCXONUVVUFE-JTQLQIEISA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494408950 290972091 /nfs/dbraw/zinc/97/20/91/290972091.db2.gz FOQWPFOKYHEDCQ-KQIUPUNMSA-N 1 0 298.346 2.409 20 5 CEBDRO Cc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000150887308 187931536 /nfs/dbraw/zinc/93/15/36/187931536.db2.gz ZQEXSUMCSDHIQN-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO CC[NH2+]CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564822607 313777498 /nfs/dbraw/zinc/77/74/98/313777498.db2.gz STBNNAPGDWMEBS-NSHDSACASA-N 1 0 251.330 2.245 20 5 CEBDRO COc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292251808 198219114 /nfs/dbraw/zinc/21/91/14/198219114.db2.gz KFGRBCZMRMHGRO-HNNXBMFYSA-N 1 0 291.351 2.135 20 5 CEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292262919 198223484 /nfs/dbraw/zinc/22/34/84/198223484.db2.gz YVULMLNZVWJXPB-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000153716222 188098655 /nfs/dbraw/zinc/09/86/55/188098655.db2.gz CPCUBTSTBRFROJ-JTQLQIEISA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H](CCn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000157737841 188335614 /nfs/dbraw/zinc/33/56/14/188335614.db2.gz NHVWLHPITTUMTB-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000292724977 198390172 /nfs/dbraw/zinc/39/01/72/198390172.db2.gz MGHAVIHYNWTHBB-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489702 283007994 /nfs/dbraw/zinc/00/79/94/283007994.db2.gz CVBHGZIALPCTHE-NWDGAFQWSA-N 1 0 296.371 2.010 20 5 CEBDRO Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133488715 366229650 /nfs/dbraw/zinc/22/96/50/366229650.db2.gz IHYWTKCJKWQZSW-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171680220 188752040 /nfs/dbraw/zinc/75/20/40/188752040.db2.gz MOMDYWNTRBOLDL-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272667338 191855219 /nfs/dbraw/zinc/85/52/19/191855219.db2.gz SMVLXUWKFADZCJ-RYUDHWBXSA-N 1 0 281.381 2.182 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000293634843 198711948 /nfs/dbraw/zinc/71/19/48/198711948.db2.gz KLGXHUDCVXTLIB-PWSUYJOCSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000198148593 540229993 /nfs/dbraw/zinc/22/99/93/540229993.db2.gz BLXBCCFVERALFZ-LBPRGKRZSA-N 1 0 291.351 2.432 20 5 CEBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000273616247 192230829 /nfs/dbraw/zinc/23/08/29/192230829.db2.gz NKAKZOJYHDDGSS-UHFFFAOYSA-N 1 0 281.360 2.306 20 5 CEBDRO Cc1ccc(NC(=O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000198663738 540234628 /nfs/dbraw/zinc/23/46/28/540234628.db2.gz NKWNJPKKPLNKRI-UHFFFAOYSA-N 1 0 265.313 2.182 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452041271 283168355 /nfs/dbraw/zinc/16/83/55/283168355.db2.gz CDBUUCRWWNVBQO-NWJSVONSSA-N 1 0 290.367 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000452067727 283176033 /nfs/dbraw/zinc/17/60/33/283176033.db2.gz IXELBPMEUTYSOM-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344676 363540710 /nfs/dbraw/zinc/54/07/10/363540710.db2.gz SYYRARBWWYFDGX-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1c(NC(=O)CC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000134497775 366330600 /nfs/dbraw/zinc/33/06/00/366330600.db2.gz PSTYDQXRWJFEQZ-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134497531 366330839 /nfs/dbraw/zinc/33/08/39/366330839.db2.gz LKFBJJVURLBCJR-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134729218 366354636 /nfs/dbraw/zinc/35/46/36/366354636.db2.gz ALHMEGRUWLNQLU-UHFFFAOYSA-N 1 0 299.758 2.253 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463133 366442177 /nfs/dbraw/zinc/44/21/77/366442177.db2.gz QGBPIXAGUOLSJH-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cc(=O)n(CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000578380225 366485745 /nfs/dbraw/zinc/48/57/45/366485745.db2.gz WVIYOYXAHLUIPX-RYUDHWBXSA-N 1 0 293.367 2.043 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000079742994 363626521 /nfs/dbraw/zinc/62/65/21/363626521.db2.gz ZGXSHKXWGZNOAJ-LBPRGKRZSA-N 1 0 252.314 2.418 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579687 216020820 /nfs/dbraw/zinc/02/08/20/216020820.db2.gz ZQEAOBCWCPTQAW-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000341708417 216075583 /nfs/dbraw/zinc/07/55/83/216075583.db2.gz WLVSWHQMZTYXTJ-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000148097081 366579522 /nfs/dbraw/zinc/57/95/22/366579522.db2.gz JIMNNPXRNCYJBC-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO [NH3+]CC[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149432414 366589662 /nfs/dbraw/zinc/58/96/62/366589662.db2.gz UFNWBUPGLWRBEH-SECBINFHSA-N 1 0 284.747 2.208 20 5 CEBDRO CCc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236964554 370666664 /nfs/dbraw/zinc/66/66/64/370666664.db2.gz WYTPIHSUYHJYHY-HNNXBMFYSA-N 1 0 293.367 2.260 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])ccc1=O ZINC000339114751 366659601 /nfs/dbraw/zinc/65/96/01/366659601.db2.gz DXRQLCZISZXLJS-LBPRGKRZSA-N 1 0 279.340 2.019 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177549218 189056442 /nfs/dbraw/zinc/05/64/42/189056442.db2.gz SNJVSJXEKYFGJM-NWDGAFQWSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000453407206 283558475 /nfs/dbraw/zinc/55/84/75/283558475.db2.gz LWUAYKPKKYMLMX-ZKYQVNSYSA-N 1 0 264.325 2.029 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178872947 189151976 /nfs/dbraw/zinc/15/19/76/189151976.db2.gz PABMKLVQGHZXQU-UHFFFAOYSA-N 1 0 293.348 2.277 20 5 CEBDRO CC(C)(O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179379953 189190168 /nfs/dbraw/zinc/19/01/68/189190168.db2.gz RGKROVQPIADJCM-UHFFFAOYSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000179576187 189203725 /nfs/dbraw/zinc/20/37/25/189203725.db2.gz JGWKRKMMDRMVNU-SNVBAGLBSA-N 1 0 266.297 2.008 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000168721723 296025396 /nfs/dbraw/zinc/02/53/96/296025396.db2.gz GFEHAOBCYKLZAW-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC(=O)N1 ZINC000453585916 283598519 /nfs/dbraw/zinc/59/85/19/283598519.db2.gz HUVKQFMVSKTXEL-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)C(C)C ZINC000342206814 216259614 /nfs/dbraw/zinc/25/96/14/216259614.db2.gz JTTCGGAMUNHYMS-ZDUSSCGKSA-N 1 0 296.367 2.348 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001646691 361213305 /nfs/dbraw/zinc/21/33/05/361213305.db2.gz ULCPHYBACPBRHS-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1c(NC(=O)NC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000454207873 283663139 /nfs/dbraw/zinc/66/31/39/283663139.db2.gz WGGUTTNAEUFLLA-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccccn2)c1 ZINC000020049619 361575816 /nfs/dbraw/zinc/57/58/16/361575816.db2.gz WEIASAUOQZWHCK-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092591 361579064 /nfs/dbraw/zinc/57/90/64/361579064.db2.gz YZVNVYAHJBPLQF-GXFFZTMASA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092589 361579239 /nfs/dbraw/zinc/57/92/39/361579239.db2.gz YZVNVYAHJBPLQF-ZWNOBZJWSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000084440093 363811067 /nfs/dbraw/zinc/81/10/67/363811067.db2.gz MBNBPYQGAJCIIS-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000086699406 363837035 /nfs/dbraw/zinc/83/70/35/363837035.db2.gz LUBMLZIAPISSKU-CYBMUJFWSA-N 1 0 282.340 2.364 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000089051663 363927258 /nfs/dbraw/zinc/92/72/58/363927258.db2.gz WAFZGHCTGRTFHP-UHFFFAOYSA-N 1 0 264.203 2.221 20 5 CEBDRO C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000090514661 364060541 /nfs/dbraw/zinc/06/05/41/364060541.db2.gz YUKUKGCSOGWEBT-RMDKCXRXSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000237638441 370740167 /nfs/dbraw/zinc/74/01/67/370740167.db2.gz PQAFIAHIYFEPJK-ZDUSSCGKSA-N 1 0 297.742 2.105 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000237646903 370741225 /nfs/dbraw/zinc/74/12/25/370741225.db2.gz SNGMSDVFVZWCPK-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO COc1ccc(CN(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093874526 364238679 /nfs/dbraw/zinc/23/86/79/364238679.db2.gz ZARBMLGNCSJGFQ-UHFFFAOYSA-N 1 0 281.356 2.020 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093983428 364244905 /nfs/dbraw/zinc/24/49/05/364244905.db2.gz HPNMGTXKCKCCBV-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000238048307 370768706 /nfs/dbraw/zinc/76/87/06/370768706.db2.gz HDGCUGOUHGUMKY-MRXNPFEDSA-N 1 0 286.331 2.288 20 5 CEBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000094798371 364297257 /nfs/dbraw/zinc/29/72/57/364297257.db2.gz SSPUEHPGCALWHQ-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094949517 364313254 /nfs/dbraw/zinc/31/32/54/364313254.db2.gz AVEQQRJTQURJHY-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO CC[C@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094953628 364314671 /nfs/dbraw/zinc/31/46/71/364314671.db2.gz LQDNAKRIHNQWDW-GFCCVEGCSA-N 1 0 266.341 2.136 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000112987885 364863358 /nfs/dbraw/zinc/86/33/58/364863358.db2.gz IGSXGVHTUKPFIP-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793718 364844725 /nfs/dbraw/zinc/84/47/25/364844725.db2.gz NLQOKHYBXLKJCI-CMPLNLGQSA-N 1 0 250.298 2.424 20 5 CEBDRO CC[C@H](NC(=O)CC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000193283374 189638866 /nfs/dbraw/zinc/63/88/66/189638866.db2.gz XLQDHFADANTZGF-MFKMUULPSA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000245409868 370815727 /nfs/dbraw/zinc/81/57/27/370815727.db2.gz OIKPOUMMRVKMRB-YRGRVCCFSA-N 1 0 278.356 2.444 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CCC1 ZINC000275462197 193047824 /nfs/dbraw/zinc/04/78/24/193047824.db2.gz MZWKKXFUMFCETK-UHFFFAOYSA-N 1 0 282.319 2.212 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120542303 365440326 /nfs/dbraw/zinc/44/03/26/365440326.db2.gz ALFOTILTWYIXPF-FZMZJTMJSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236459 366893219 /nfs/dbraw/zinc/89/32/19/366893219.db2.gz YUWSSVRMKQEJMQ-RISCZKNCSA-N 1 0 264.325 2.330 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000583799027 367098246 /nfs/dbraw/zinc/09/82/46/367098246.db2.gz DTARAHBHWTZVKO-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163247964 367227693 /nfs/dbraw/zinc/22/76/93/367227693.db2.gz GMRXVFCFTLXYLT-ZYHUDNBSSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168621334 367357186 /nfs/dbraw/zinc/35/71/86/367357186.db2.gz BBXQQWDUCQPIBA-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000171103014 367477877 /nfs/dbraw/zinc/47/78/77/367477877.db2.gz DLFGDTVPAMYUTH-LLVKDONJSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343452732 367824433 /nfs/dbraw/zinc/82/44/33/367824433.db2.gz ORRGJICCQFNDQY-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000174409180 368019899 /nfs/dbraw/zinc/01/98/99/368019899.db2.gz DPFCYMVLXVAVKI-NSHDSACASA-N 1 0 250.298 2.458 20 5 CEBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000174433289 368022639 /nfs/dbraw/zinc/02/26/39/368022639.db2.gz VPJYTEHXDXKKNZ-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060580 368142958 /nfs/dbraw/zinc/14/29/58/368142958.db2.gz MAVQXMIIIDSDPY-OBJOEFQTSA-N 1 0 276.336 2.491 20 5 CEBDRO CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000345349759 368244528 /nfs/dbraw/zinc/24/45/28/368244528.db2.gz QITIJFUXHLMMHO-QWHCGFSZSA-N 1 0 295.408 2.385 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181562224 368470199 /nfs/dbraw/zinc/47/01/99/368470199.db2.gz CFQCTOZEFUGYHH-CYBMUJFWSA-N 1 0 279.340 2.114 20 5 CEBDRO CCN(CC)C(=O)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183207848 368616090 /nfs/dbraw/zinc/61/60/90/368616090.db2.gz LPLCBCJAXKNIKC-UHFFFAOYSA-N 1 0 293.367 2.203 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CCO ZINC000183478894 368629111 /nfs/dbraw/zinc/62/91/11/368629111.db2.gz WAJHVMOGYOSGFR-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000246177312 370921800 /nfs/dbraw/zinc/92/18/00/370921800.db2.gz GSUGUNHJPYRUPL-JMSVASOKSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348275571 368980506 /nfs/dbraw/zinc/98/05/06/368980506.db2.gz JQSMPQZJVMFSDR-DTWKUNHWSA-N 1 0 292.261 2.064 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000348161419 368927618 /nfs/dbraw/zinc/92/76/18/368927618.db2.gz NDDXXCWYESRASM-FZMZJTMJSA-N 1 0 294.351 2.244 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348199841 368948335 /nfs/dbraw/zinc/94/83/35/368948335.db2.gz QTJDJFKMXWOJGD-MRXNPFEDSA-N 1 0 289.379 2.306 20 5 CEBDRO C[N@@H+]1CC[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000349736965 369382793 /nfs/dbraw/zinc/38/27/93/369382793.db2.gz APIJLBWMWNOGQJ-SNVBAGLBSA-N 1 0 274.280 2.064 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189111009 369459607 /nfs/dbraw/zinc/45/96/07/369459607.db2.gz IPSPPBXWVCPALG-WDEREUQCSA-N 1 0 252.314 2.416 20 5 CEBDRO Cc1ccc(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)cc1[N+](=O)[O-] ZINC000349961908 369465441 /nfs/dbraw/zinc/46/54/41/369465441.db2.gz YKCGXZSGSTWWRW-LLVKDONJSA-N 1 0 288.307 2.372 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000189328550 369498522 /nfs/dbraw/zinc/49/85/22/369498522.db2.gz PQNGCVLZGWDNRG-CHWSQXEVSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(C)CCOC1 ZINC000350096949 369504420 /nfs/dbraw/zinc/50/44/20/369504420.db2.gz KFOCJPBDJOXXPG-CQSZACIVSA-N 1 0 264.325 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000350047397 369490800 /nfs/dbraw/zinc/49/08/00/369490800.db2.gz HZSMFKIEHRPHOM-TZMCWYRMSA-N 1 0 277.368 2.476 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000350049588 369491247 /nfs/dbraw/zinc/49/12/47/369491247.db2.gz PCTODLAGKGSQJO-SNVBAGLBSA-N 1 0 292.257 2.306 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000037782867 296146223 /nfs/dbraw/zinc/14/62/23/296146223.db2.gz YMMHDRFOCVMFRP-NWDGAFQWSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914999 203385120 /nfs/dbraw/zinc/38/51/20/203385120.db2.gz TYOFYFLDNVQKIX-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000189720092 369562996 /nfs/dbraw/zinc/56/29/96/369562996.db2.gz ZOMLEFKTLYFQBV-TVQRCGJNSA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189972490 369584486 /nfs/dbraw/zinc/58/44/86/369584486.db2.gz STTZAENGJWMWBF-WCQYABFASA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730203 369650917 /nfs/dbraw/zinc/65/09/17/369650917.db2.gz MONOYKLWMXQGOK-NXEZZACHSA-N 1 0 299.321 2.397 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191284794 369697784 /nfs/dbraw/zinc/69/77/84/369697784.db2.gz LETHTTKMEPVOJE-VXGBXAGGSA-N 1 0 294.351 2.207 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000192083337 369772265 /nfs/dbraw/zinc/77/22/65/369772265.db2.gz FKJVMJWMQYBGGM-MXWKQRLJSA-N 1 0 279.340 2.064 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000192482761 369819356 /nfs/dbraw/zinc/81/93/56/369819356.db2.gz MWLIIMDQDFEZKQ-YUMQZZPRSA-N 1 0 268.342 2.088 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352667185 369824530 /nfs/dbraw/zinc/82/45/30/369824530.db2.gz JGRBMMZNNTWEAL-GXTWGEPZSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000192127485 369775343 /nfs/dbraw/zinc/77/53/43/369775343.db2.gz KLBTUCLNKXNALO-RISCZKNCSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000352570219 369790042 /nfs/dbraw/zinc/79/00/42/369790042.db2.gz DSFMNMPCVJVZOX-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352812920 369889448 /nfs/dbraw/zinc/88/94/48/369889448.db2.gz ARTMKBDBRVSLOY-GXSJLCMTSA-N 1 0 282.365 2.445 20 5 CEBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193142742 369898529 /nfs/dbraw/zinc/89/85/29/369898529.db2.gz NBKIWJVPGMKXNS-ZYHUDNBSSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2sccc2Cl)c1 ZINC000193156634 369900034 /nfs/dbraw/zinc/90/00/34/369900034.db2.gz PZBWHQRJMRSABR-UHFFFAOYSA-N 1 0 286.744 2.296 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193287317 369918310 /nfs/dbraw/zinc/91/83/10/369918310.db2.gz MRKMCLASKMEEDN-MNOVXSKESA-N 1 0 279.340 2.208 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000352896486 369940199 /nfs/dbraw/zinc/94/01/99/369940199.db2.gz XRPXCICUNIQYSR-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193465103 369944616 /nfs/dbraw/zinc/94/46/16/369944616.db2.gz GPESDNOVVICWOM-RYUDHWBXSA-N 1 0 278.356 2.462 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353034686 369994067 /nfs/dbraw/zinc/99/40/67/369994067.db2.gz AVYJUURFECNEOW-MNOVXSKESA-N 1 0 282.315 2.496 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219298668 370222563 /nfs/dbraw/zinc/22/25/63/370222563.db2.gz HJZNQTLABOPXQN-NEPJUHHUSA-N 1 0 262.313 2.029 20 5 CEBDRO CC[C@H](C)N(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720846 370226959 /nfs/dbraw/zinc/22/69/59/370226959.db2.gz FYCLKXCSJMMLLF-ZDUSSCGKSA-N 1 0 279.384 2.457 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000221449399 370241509 /nfs/dbraw/zinc/24/15/09/370241509.db2.gz HLJCOUVABXNRCN-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217630434 370197864 /nfs/dbraw/zinc/19/78/64/370197864.db2.gz RSWYEQORCUSKSS-GJZGRUSLSA-N 1 0 275.352 2.311 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCCCO)cs1 ZINC000224951623 370283721 /nfs/dbraw/zinc/28/37/21/370283721.db2.gz MBFNCTDRTLHNFQ-UHFFFAOYSA-N 1 0 258.343 2.299 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000227072623 370357218 /nfs/dbraw/zinc/35/72/18/370357218.db2.gz IVHZFXPYTKOKMX-BFHYXJOUSA-N 1 0 276.336 2.498 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000227344618 370367733 /nfs/dbraw/zinc/36/77/33/370367733.db2.gz KALRLVOLIZRMBD-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651275 370377958 /nfs/dbraw/zinc/37/79/58/370377958.db2.gz QSPPVFZPOBEKJM-QMMMGPOBSA-N 1 0 270.720 2.007 20 5 CEBDRO C[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000227888900 370387889 /nfs/dbraw/zinc/38/78/89/370387889.db2.gz HWEDEDZMKZLZEX-UHFFFAOYSA-N 1 0 271.267 2.379 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000354352934 370329065 /nfs/dbraw/zinc/32/90/65/370329065.db2.gz KCZIRUQLBMTKHL-NWDGAFQWSA-N 1 0 278.356 2.299 20 5 CEBDRO C[C@H](CO)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230160123 370443039 /nfs/dbraw/zinc/44/30/39/370443039.db2.gz RPBZTMLZTIVYKD-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000231040568 370473849 /nfs/dbraw/zinc/47/38/49/370473849.db2.gz SBSQSGIENQHSEX-CQSZACIVSA-N 1 0 266.341 2.134 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236635496 370600440 /nfs/dbraw/zinc/60/04/40/370600440.db2.gz ZJIPJNFLYDGLHK-HNNXBMFYSA-N 1 0 293.367 2.017 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000236155841 370583926 /nfs/dbraw/zinc/58/39/26/370583926.db2.gz GIWOZPWGYBOKII-JSGCOSHPSA-N 1 0 280.299 2.391 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236411342 370588798 /nfs/dbraw/zinc/58/87/98/370588798.db2.gz YSAOPYKDBMLUNA-OCCSQVGLSA-N 1 0 262.309 2.252 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247408680 371104649 /nfs/dbraw/zinc/10/46/49/371104649.db2.gz NBNGMBGDEJZNCC-NXEZZACHSA-N 1 0 297.380 2.069 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCO2)n1 ZINC000331645037 204041306 /nfs/dbraw/zinc/04/13/06/204041306.db2.gz QAONDLKXNZTAEY-RWMBFGLXSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000248567342 371213131 /nfs/dbraw/zinc/21/31/31/371213131.db2.gz PGVVQNZZNDHMJD-WOPDTQHZSA-N 1 0 266.345 2.206 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249071488 371290182 /nfs/dbraw/zinc/29/01/82/371290182.db2.gz RDYDYVJVRXNPOS-GNXNZQSNSA-N 1 0 294.351 2.337 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCSC2)n1 ZINC000359032475 371309120 /nfs/dbraw/zinc/30/91/20/371309120.db2.gz CULNCNNTKOTCIU-GRYCIOLGSA-N 1 0 296.396 2.370 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000359040889 371313925 /nfs/dbraw/zinc/31/39/25/371313925.db2.gz IOKNYQSIRWXLHQ-HNNXBMFYSA-N 1 0 277.368 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000359153841 371355989 /nfs/dbraw/zinc/35/59/89/371355989.db2.gz MANNXRRUJOILJC-STQMWFEESA-N 1 0 268.288 2.127 20 5 CEBDRO C[NH2+]C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261577876 371659628 /nfs/dbraw/zinc/65/96/28/371659628.db2.gz CXIUGZKLJUKFEL-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261711785 371708502 /nfs/dbraw/zinc/70/85/02/371708502.db2.gz DOPQEVOURGFNIC-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000261688697 371701564 /nfs/dbraw/zinc/70/15/64/371701564.db2.gz NCPJNUPIGXVMNO-MISXGVKJSA-N 1 0 291.351 2.020 20 5 CEBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000361257281 371743160 /nfs/dbraw/zinc/74/31/60/371743160.db2.gz GEYDPSWEKAZGAS-UHFFFAOYSA-N 1 0 260.297 2.455 20 5 CEBDRO COC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000344065380 217035709 /nfs/dbraw/zinc/03/57/09/217035709.db2.gz PNUVIRCBBWVNSX-CYBMUJFWSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCC2CCCCC2)c1 ZINC000361604155 371969584 /nfs/dbraw/zinc/96/95/84/371969584.db2.gz SCUXGZPNJMPGJA-UHFFFAOYSA-N 1 0 266.345 2.351 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344220715 217104508 /nfs/dbraw/zinc/10/45/08/217104508.db2.gz VKLRNCHMEFBTHW-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO COC(=O)[C@]1(F)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665012 372077845 /nfs/dbraw/zinc/07/78/45/372077845.db2.gz NNZOJPIWLYALLN-YGRLFVJLSA-N 1 0 296.298 2.243 20 5 CEBDRO COC(=O)[C@]1(F)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267664997 372078283 /nfs/dbraw/zinc/07/82/83/372078283.db2.gz NNZOJPIWLYALLN-HZMBPMFUSA-N 1 0 296.298 2.243 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965644 372147771 /nfs/dbraw/zinc/14/77/71/372147771.db2.gz IBIIOLJESVYTJW-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000361965642 372148209 /nfs/dbraw/zinc/14/82/09/372148209.db2.gz IBIIOLJESVYTJW-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000268901263 372278980 /nfs/dbraw/zinc/27/89/80/372278980.db2.gz MEJZDXLSYZXNOZ-GFCCVEGCSA-N 1 0 288.351 2.439 20 5 CEBDRO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000269625799 372509086 /nfs/dbraw/zinc/50/90/86/372509086.db2.gz CQOVMJFQTOZFNJ-MJBXVCDLSA-N 1 0 276.336 2.216 20 5 CEBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269673294 372527699 /nfs/dbraw/zinc/52/76/99/372527699.db2.gz VGNDNGNJKUMMHQ-CQSZACIVSA-N 1 0 296.367 2.111 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000270996134 373054014 /nfs/dbraw/zinc/05/40/14/373054014.db2.gz YMQHOSVVDQBSPE-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CNC(=O)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344819512 217321625 /nfs/dbraw/zinc/32/16/25/217321625.db2.gz GDFRDKNYTHFKHM-XFXZXTDPSA-N 1 0 291.351 2.114 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870147 217340698 /nfs/dbraw/zinc/34/06/98/217340698.db2.gz XKOMUUJAWMJKRA-JATZPVMKSA-N 1 0 291.351 2.112 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cccn1 ZINC000344876478 217342196 /nfs/dbraw/zinc/34/21/96/217342196.db2.gz UIIHHIHPCLECLB-JLHYYAGUSA-N 1 0 286.335 2.484 20 5 CEBDRO CCS[C@@H]1CCCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370046813 373565484 /nfs/dbraw/zinc/56/54/84/373565484.db2.gz TYSVIZQRBHEPIA-LLVKDONJSA-N 1 0 298.412 2.436 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272954267 373731322 /nfs/dbraw/zinc/73/13/22/373731322.db2.gz QLNFQRWEVPGHOU-CHWSQXEVSA-N 1 0 296.367 2.455 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274533912 373954686 /nfs/dbraw/zinc/95/46/86/373954686.db2.gz USRUDVLTBZWZCD-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372854600 374212251 /nfs/dbraw/zinc/21/22/51/374212251.db2.gz CSUFSJUNPISFHD-ZFWWWQNUSA-N 1 0 276.336 2.360 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373315175 374326611 /nfs/dbraw/zinc/32/66/11/374326611.db2.gz CELBJAIOVCAJNE-WMHVBEDNSA-N 1 0 288.347 2.455 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000276964307 374361689 /nfs/dbraw/zinc/36/16/89/374361689.db2.gz DBHJYTBIBCNAHL-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277719900 374622070 /nfs/dbraw/zinc/62/20/70/374622070.db2.gz JDPZWEVYTHZAHY-WCQYABFASA-N 1 0 264.325 2.418 20 5 CEBDRO CNC(=O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278378941 374798375 /nfs/dbraw/zinc/79/83/75/374798375.db2.gz CVDAQEXCWAMJQR-CQSZACIVSA-N 1 0 291.351 2.088 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000278399868 374805178 /nfs/dbraw/zinc/80/51/78/374805178.db2.gz FOOBPQSPNJMSJR-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377719117 374933815 /nfs/dbraw/zinc/93/38/15/374933815.db2.gz GVYXUXOBEJKDDJ-GFCCVEGCSA-N 1 0 286.335 2.273 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000380506478 375164487 /nfs/dbraw/zinc/16/44/87/375164487.db2.gz YNJFFZZCTVJMSK-QWRGUYRKSA-N 1 0 279.315 2.088 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000382433988 375186155 /nfs/dbraw/zinc/18/61/55/375186155.db2.gz TZIGMQBWOLKBDU-KCJUWKMLSA-N 1 0 297.742 2.105 20 5 CEBDRO CCC[C@H]([NH2+]C[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573531 375191261 /nfs/dbraw/zinc/19/12/61/375191261.db2.gz SZWLDYVCJYJXPP-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282358894 375465705 /nfs/dbraw/zinc/46/57/05/375465705.db2.gz DAWQEROVJOEENN-UHFFFAOYSA-N 1 0 250.298 2.048 20 5 CEBDRO CN(C)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000282157303 375417357 /nfs/dbraw/zinc/41/73/57/375417357.db2.gz IDQKETTYKGNRKW-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCOC1=O ZINC000282417601 375480201 /nfs/dbraw/zinc/48/02/01/375480201.db2.gz JBYIMSJRDPCUJC-ZDUSSCGKSA-N 1 0 292.335 2.022 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282443547 375486085 /nfs/dbraw/zinc/48/60/85/375486085.db2.gz RZVMVOCMDKNQSS-OCCSQVGLSA-N 1 0 294.351 2.473 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000414657988 375904194 /nfs/dbraw/zinc/90/41/94/375904194.db2.gz KWDQDMDDERXNQU-MFKMUULPSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000414658076 375904815 /nfs/dbraw/zinc/90/48/15/375904815.db2.gz LBKJTDVGXGOGAF-ZYHUDNBSSA-N 1 0 292.339 2.023 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000286461263 375960376 /nfs/dbraw/zinc/96/03/76/375960376.db2.gz KIRSVOAOPOMNLG-XNHWPECASA-N 1 0 288.347 2.450 20 5 CEBDRO CN(CC[NH2+]C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000414680908 375915058 /nfs/dbraw/zinc/91/50/58/375915058.db2.gz VCHIXDBIAIDPQU-UHFFFAOYSA-N 1 0 265.357 2.415 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714344 375937178 /nfs/dbraw/zinc/93/71/78/375937178.db2.gz VIXPZMDPVOPFJH-WDEREUQCSA-N 1 0 292.339 2.152 20 5 CEBDRO CCCC[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000414807324 375992813 /nfs/dbraw/zinc/99/28/13/375992813.db2.gz CPBQEQMJPDHOTP-NSHDSACASA-N 1 0 269.320 2.341 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000286701643 376040296 /nfs/dbraw/zinc/04/02/96/376040296.db2.gz WJEHECMNCGMHLM-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO COCCOCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000288764030 376383291 /nfs/dbraw/zinc/38/32/91/376383291.db2.gz HRZMHVYVTZXYIW-LBPRGKRZSA-N 1 0 282.340 2.251 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[NH+]1CCOCC1 ZINC000263779154 190078294 /nfs/dbraw/zinc/07/82/94/190078294.db2.gz VDGRYPUOWIHXIJ-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574070849 299476470 /nfs/dbraw/zinc/47/64/70/299476470.db2.gz AEBHKQPQHLIDLF-TZMCWYRMSA-N 1 0 296.367 2.216 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000556958199 376527542 /nfs/dbraw/zinc/52/75/42/376527542.db2.gz FENDFGBAOAHLBN-CYBMUJFWSA-N 1 0 263.341 2.121 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420205572 376612602 /nfs/dbraw/zinc/61/26/02/376612602.db2.gz PMQDZAAXSGIAEM-SECBINFHSA-N 1 0 265.313 2.065 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000312589727 376722271 /nfs/dbraw/zinc/72/22/71/376722271.db2.gz LRTHIWGSTZMYMD-UHFFFAOYSA-N 1 0 295.368 2.352 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313555728 376748851 /nfs/dbraw/zinc/74/88/51/376748851.db2.gz SQNHGVIIAKROEM-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000318338045 376810848 /nfs/dbraw/zinc/81/08/48/376810848.db2.gz UIDDIQAIXDKYTQ-UHFFFAOYSA-N 1 0 297.314 2.493 20 5 CEBDRO CCOc1ccc([C@H](C)NCCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423201221 377117822 /nfs/dbraw/zinc/11/78/22/377117822.db2.gz OBRZCUAJGLNENR-NSHDSACASA-N 1 0 281.356 2.254 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[NH3+] ZINC000423176752 377086764 /nfs/dbraw/zinc/08/67/64/377086764.db2.gz CYMZEIWAEKDFQD-SNVBAGLBSA-N 1 0 269.370 2.014 20 5 CEBDRO CCOc1ccc([C@@H](C)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423178701 377088723 /nfs/dbraw/zinc/08/87/23/377088723.db2.gz GJNODWXIZBUFGE-LLVKDONJSA-N 1 0 293.367 2.396 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180008 377092214 /nfs/dbraw/zinc/09/22/14/377092214.db2.gz DSMBHFFMZZQOCM-AAEUAGOBSA-N 1 0 293.367 2.396 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330579209 377191803 /nfs/dbraw/zinc/19/18/03/377191803.db2.gz ICIHECCDXWNSND-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264765484 190133443 /nfs/dbraw/zinc/13/34/43/190133443.db2.gz NNEGHSKEFOOZPQ-NSHDSACASA-N 1 0 297.380 2.261 20 5 CEBDRO CC[C@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423244078 377164289 /nfs/dbraw/zinc/16/42/89/377164289.db2.gz XIRSMSSAKOAIAV-OCCSQVGLSA-N 1 0 263.341 2.388 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820708 377298491 /nfs/dbraw/zinc/29/84/91/377298491.db2.gz KTVJFJHLXLJADP-SMDDNHRTSA-N 1 0 294.351 2.223 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264920191 190144815 /nfs/dbraw/zinc/14/48/15/190144815.db2.gz PORGUJHULPAPFG-QMMMGPOBSA-N 1 0 285.369 2.035 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000292965669 377372650 /nfs/dbraw/zinc/37/26/50/377372650.db2.gz DGEZPFLJVJPQOD-GFCCVEGCSA-N 1 0 290.367 2.099 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293025730 377398903 /nfs/dbraw/zinc/39/89/03/377398903.db2.gz AVRIBFGGMOFGHW-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264995365 190151025 /nfs/dbraw/zinc/15/10/25/190151025.db2.gz UMSAPGJQMBHJCB-SNVBAGLBSA-N 1 0 267.304 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000293343010 377527996 /nfs/dbraw/zinc/52/79/96/377527996.db2.gz JMLNTFYSDXMBDL-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000265455694 190183157 /nfs/dbraw/zinc/18/31/57/190183157.db2.gz VNGRHECUTUJMBT-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313156514 249386431 /nfs/dbraw/zinc/38/64/31/249386431.db2.gz GTMMQNYSQVAAPI-ASCRHOAZSA-N 1 0 291.351 2.242 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313303873 249391160 /nfs/dbraw/zinc/39/11/60/249391160.db2.gz DNTBPNHHLISDGT-OYVUYXNMSA-N 1 0 291.351 2.098 20 5 CEBDRO COC[C@@H]1CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652737 377679421 /nfs/dbraw/zinc/67/94/21/377679421.db2.gz SOPQMKXZCBSAJH-NSHDSACASA-N 1 0 270.716 2.469 20 5 CEBDRO C[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294039290 377881993 /nfs/dbraw/zinc/88/19/93/377881993.db2.gz FZCKQALXDVMTBZ-IINYFYTJSA-N 1 0 293.367 2.379 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678549 378008195 /nfs/dbraw/zinc/00/81/95/378008195.db2.gz IBKFBTHELMSQAJ-ZWNOBZJWSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000295512174 378191727 /nfs/dbraw/zinc/19/17/27/378191727.db2.gz UZYMBMWVQQIWCI-MFKMUULPSA-N 1 0 266.366 2.478 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295551763 378208116 /nfs/dbraw/zinc/20/81/16/378208116.db2.gz PLELWTLGNACLCV-UHFFFAOYSA-N 1 0 293.371 2.004 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449780829 378230670 /nfs/dbraw/zinc/23/06/70/378230670.db2.gz VYFANUKHNMBZFZ-QMTHXVAHSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450351953 378370552 /nfs/dbraw/zinc/37/05/52/378370552.db2.gz UUSIJDXZJWQOQU-JQWIXIFHSA-N 1 0 293.371 2.002 20 5 CEBDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296147263 378431978 /nfs/dbraw/zinc/43/19/78/378431978.db2.gz VQBHAWUTUVMAQY-QWRGUYRKSA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000450593770 378491491 /nfs/dbraw/zinc/49/14/91/378491491.db2.gz JIOSUVDAXGQGBG-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1cscn1)CC2 ZINC000450689474 378533489 /nfs/dbraw/zinc/53/34/89/378533489.db2.gz FERVQFFCNWYECM-UHFFFAOYSA-N 1 0 290.348 2.047 20 5 CEBDRO COC[C@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296642564 378603909 /nfs/dbraw/zinc/60/39/09/378603909.db2.gz IJNYPPSLJXRBAC-OAHLLOKOSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000346617358 217962712 /nfs/dbraw/zinc/96/27/12/217962712.db2.gz CQMVOBHWSZZINQ-BXUZGUMPSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000266184776 190238106 /nfs/dbraw/zinc/23/81/06/190238106.db2.gz WOLCEANBHOKRHX-CQSZACIVSA-N 1 0 276.292 2.185 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453301745 378858997 /nfs/dbraw/zinc/85/89/97/378858997.db2.gz XQOAUXHXGJWHMP-UXIGCNINSA-N 1 0 294.351 2.297 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453300160 378859574 /nfs/dbraw/zinc/85/95/74/378859574.db2.gz VLVTWEXBCAAOJK-OSAQELSMSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400143 378886395 /nfs/dbraw/zinc/88/63/95/378886395.db2.gz KTTMXZVSFLCRSA-JQWIXIFHSA-N 1 0 279.340 2.078 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH2+]C ZINC000347012392 218091293 /nfs/dbraw/zinc/09/12/93/218091293.db2.gz HMXNFBWFQMAFPJ-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000299135031 378912662 /nfs/dbraw/zinc/91/26/62/378912662.db2.gz OJTNBGKSPURXPO-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299262306 378946708 /nfs/dbraw/zinc/94/67/08/378946708.db2.gz VTPYCXFQSZGPBH-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000301059143 379183997 /nfs/dbraw/zinc/18/39/97/379183997.db2.gz AJEMKAYMGAQZPO-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000302564043 379397550 /nfs/dbraw/zinc/39/75/50/379397550.db2.gz NDRPJLRXNVETBF-JOYOIKCWSA-N 1 0 252.339 2.436 20 5 CEBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304040787 379516050 /nfs/dbraw/zinc/51/60/50/379516050.db2.gz IPGIYHLMEZTSCR-RISCZKNCSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034063 190371356 /nfs/dbraw/zinc/37/13/56/190371356.db2.gz LVOQOUPLPRDJQT-QWRGUYRKSA-N 1 0 277.324 2.312 20 5 CEBDRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826124 380567988 /nfs/dbraw/zinc/56/79/88/380567988.db2.gz WESIBVAYJRZIGF-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000551226630 380638779 /nfs/dbraw/zinc/63/87/79/380638779.db2.gz HAKJAPDKVVFDRD-YUTCNCBUSA-N 1 0 294.351 2.094 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493594124 381077482 /nfs/dbraw/zinc/07/74/82/381077482.db2.gz RJWWYEOPPOJYJL-YFHOEESVSA-N 1 0 291.351 2.064 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000279355947 194398801 /nfs/dbraw/zinc/39/88/01/194398801.db2.gz VVUZPGQUKHDMAY-UKRRQHHQSA-N 1 0 278.352 2.278 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000350552903 219034430 /nfs/dbraw/zinc/03/44/30/219034430.db2.gz HXTPITWIRANRHO-NSHDSACASA-N 1 0 294.355 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1O)CCC2 ZINC000193004033 285145622 /nfs/dbraw/zinc/14/56/22/285145622.db2.gz WIOCZTCCXHBRBJ-ILXRZTDVSA-N 1 0 276.336 2.475 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289090924 197231759 /nfs/dbraw/zinc/23/17/59/197231759.db2.gz UMRNWXFRLGCBRT-RYUDHWBXSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCF)C1CC1 ZINC000280560369 285161969 /nfs/dbraw/zinc/16/19/69/285161969.db2.gz ACVIFYJKYLAYRF-LBPRGKRZSA-N 1 0 252.289 2.475 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000365058306 285172830 /nfs/dbraw/zinc/17/28/30/285172830.db2.gz ZNOBHYQIAJETRR-SNVBAGLBSA-N 1 0 282.369 2.116 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000352706865 533137177 /nfs/dbraw/zinc/13/71/77/533137177.db2.gz PCFIZBNBPOXFGN-CQSZACIVSA-N 1 0 294.351 2.244 20 5 CEBDRO C[N@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000288465597 197086261 /nfs/dbraw/zinc/08/62/61/197086261.db2.gz OLTOLLWANBJAPM-UHFFFAOYSA-N 1 0 293.352 2.106 20 5 CEBDRO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000181560617 285238981 /nfs/dbraw/zinc/23/89/81/285238981.db2.gz GXMQCXCLIMUFPE-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000080886621 177724158 /nfs/dbraw/zinc/72/41/58/177724158.db2.gz YENYJJADUAEPKC-GFCCVEGCSA-N 1 0 272.732 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC000421013159 394462374 /nfs/dbraw/zinc/46/23/74/394462374.db2.gz FUGMNRWVLRPVMZ-AWEZNQCLSA-N 1 0 262.309 2.002 20 5 CEBDRO CC(C)[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302872884 394478529 /nfs/dbraw/zinc/47/85/29/394478529.db2.gz COLWZUNAIIYXIH-UHFFFAOYSA-N 1 0 278.356 2.315 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421700066 394567664 /nfs/dbraw/zinc/56/76/64/394567664.db2.gz CYEJIFLMMLAVBY-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000421747319 394580914 /nfs/dbraw/zinc/58/09/14/394580914.db2.gz HKIJMOBMZJFCOH-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421377862 394517684 /nfs/dbraw/zinc/51/76/84/394517684.db2.gz SFHLBNQWVFXFQX-BXUZGUMPSA-N 1 0 264.325 2.248 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000413448101 394554585 /nfs/dbraw/zinc/55/45/85/394554585.db2.gz WKLCBCIMVFECAT-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356779158 394611245 /nfs/dbraw/zinc/61/12/45/394611245.db2.gz RDQZBSUKHIUEDH-JTQLQIEISA-N 1 0 297.330 2.192 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331071493 394627748 /nfs/dbraw/zinc/62/77/48/394627748.db2.gz SNSCGSPGRYUEIX-JTQLQIEISA-N 1 0 252.318 2.093 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405776 394639380 /nfs/dbraw/zinc/63/93/80/394639380.db2.gz IRINLVXCLMIAHI-SWLSCSKDSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268168692 394689704 /nfs/dbraw/zinc/68/97/04/394689704.db2.gz QEBIJAZWFSOQOR-ZYHUDNBSSA-N 1 0 276.340 2.193 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000357047443 394692497 /nfs/dbraw/zinc/69/24/97/394692497.db2.gz WDIJGXLJYOBFGU-NWDGAFQWSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000422611542 394719470 /nfs/dbraw/zinc/71/94/70/394719470.db2.gz BBGFHYWQBWSKDZ-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272178141 394767577 /nfs/dbraw/zinc/76/75/77/394767577.db2.gz JTBBWMCDPAUKKP-QMTHXVAHSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1ccc(CN[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414854832 394772125 /nfs/dbraw/zinc/77/21/25/394772125.db2.gz VREBLKGXDPIZBQ-ZDUSSCGKSA-N 1 0 265.357 2.366 20 5 CEBDRO C[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414925438 394806305 /nfs/dbraw/zinc/80/63/05/394806305.db2.gz HXOLBHRIMPRXBS-SNVBAGLBSA-N 1 0 275.308 2.292 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000414934903 394810563 /nfs/dbraw/zinc/81/05/63/394810563.db2.gz VOLKTEHLZSQIQN-CQSZACIVSA-N 1 0 277.368 2.463 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272314 394811362 /nfs/dbraw/zinc/81/13/62/394811362.db2.gz ZAXXZKSBQOOHOJ-YPMHNXCESA-N 1 0 275.352 2.310 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000415052422 394866479 /nfs/dbraw/zinc/86/64/79/394866479.db2.gz LEPXHFYFBWSCPN-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415059580 394868735 /nfs/dbraw/zinc/86/87/35/394868735.db2.gz YPDWIGUHAQXDDU-IUODEOHRSA-N 1 0 277.368 2.320 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422847098 394826449 /nfs/dbraw/zinc/82/64/49/394826449.db2.gz HGJGQVJGZROKLJ-CYBMUJFWSA-N 1 0 293.367 2.431 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000415013111 394849602 /nfs/dbraw/zinc/84/96/02/394849602.db2.gz KCADZWQGIPLYAO-JGVFFNPUSA-N 1 0 257.721 2.074 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415037434 394858660 /nfs/dbraw/zinc/85/86/60/394858660.db2.gz LCXNZZRHPCOMCM-CYBMUJFWSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423570070 394953622 /nfs/dbraw/zinc/95/36/22/394953622.db2.gz WUCXFEHCMKPWOE-AAEUAGOBSA-N 1 0 263.341 2.388 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391702 394911712 /nfs/dbraw/zinc/91/17/12/394911712.db2.gz KYQGQSJOZUEGPX-COPLHBTASA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415297302 394919167 /nfs/dbraw/zinc/91/91/67/394919167.db2.gz NKPNXGAAADEKTA-LLVKDONJSA-N 1 0 294.355 2.316 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH3+])CCC1 ZINC000415308517 394920044 /nfs/dbraw/zinc/92/00/44/394920044.db2.gz ZXVOZMYERXHVAW-UHFFFAOYSA-N 1 0 292.339 2.215 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000423589584 394955186 /nfs/dbraw/zinc/95/51/86/394955186.db2.gz AGNOIMOMTGPRFL-NEPJUHHUSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@@H](NC[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423459028 394925557 /nfs/dbraw/zinc/92/55/57/394925557.db2.gz HLNLLVGIJMRULD-WCQYABFASA-N 1 0 251.330 2.373 20 5 CEBDRO Cc1cc(NC(=O)N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415413783 394928945 /nfs/dbraw/zinc/92/89/45/394928945.db2.gz FCCIQTCKPXLXMI-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415444435 394932309 /nfs/dbraw/zinc/93/23/09/394932309.db2.gz VAPMZTRMGWTVJE-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415505976 394938908 /nfs/dbraw/zinc/93/89/08/394938908.db2.gz RBQYUOWGNUPLJP-UHFFFAOYSA-N 1 0 294.355 2.352 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415504883 394939007 /nfs/dbraw/zinc/93/90/07/394939007.db2.gz PSWBLYPCVCSAQE-GHMZBOCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415589016 394945852 /nfs/dbraw/zinc/94/58/52/394945852.db2.gz YKGUYOZUOOFELK-UHFFFAOYSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC(C)C)CC1 ZINC000369695511 395001945 /nfs/dbraw/zinc/00/19/45/395001945.db2.gz MQXCWSQEXLZIEI-UHFFFAOYSA-N 1 0 292.383 2.466 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH2+]C ZINC000423632039 394960037 /nfs/dbraw/zinc/96/00/37/394960037.db2.gz NIOSBFPNRIWPAN-SECBINFHSA-N 1 0 297.380 2.045 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH3+] ZINC000423682097 394964421 /nfs/dbraw/zinc/96/44/21/394964421.db2.gz NVDHWRONEFADFS-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000174815768 395128651 /nfs/dbraw/zinc/12/86/51/395128651.db2.gz LLQFCBSTKXTINF-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417850671 395146106 /nfs/dbraw/zinc/14/61/06/395146106.db2.gz MNJIVMSXIXLKIE-JQWIXIFHSA-N 1 0 294.355 2.001 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000430198421 395163800 /nfs/dbraw/zinc/16/38/00/395163800.db2.gz YFYOTWDDJZLLMT-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000517065506 395187268 /nfs/dbraw/zinc/18/72/68/395187268.db2.gz YWRTUADWYYWZQM-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000437832353 395199185 /nfs/dbraw/zinc/19/91/85/395199185.db2.gz GIDRVNZEZNXMFY-CQSZACIVSA-N 1 0 286.335 2.108 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292870001 395207957 /nfs/dbraw/zinc/20/79/57/395207957.db2.gz SXSVMVWNQGEFFN-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420327700 395329005 /nfs/dbraw/zinc/32/90/05/395329005.db2.gz DOUUTLKYGURQOQ-STQMWFEESA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411768879 395338914 /nfs/dbraw/zinc/33/89/14/395338914.db2.gz JCWKYLFNSBGFET-NSHDSACASA-N 1 0 279.340 2.112 20 5 CEBDRO COc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000444713941 395448739 /nfs/dbraw/zinc/44/87/39/395448739.db2.gz HYGORSJBWYUBAR-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000420934090 395438553 /nfs/dbraw/zinc/43/85/53/395438553.db2.gz JLXZLZVULSQPTR-VDISTLRHSA-N 1 0 276.336 2.330 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451258847 395600264 /nfs/dbraw/zinc/60/02/64/395600264.db2.gz RXPYFAYTXIEZRX-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])N(C)C ZINC000449554500 395554774 /nfs/dbraw/zinc/55/47/74/395554774.db2.gz BRQPDZXKPHEKIS-VFFGBVLKSA-N 1 0 263.341 2.148 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000045693405 400158554 /nfs/dbraw/zinc/15/85/54/400158554.db2.gz GSHYWSRKXNSBDG-JTQLQIEISA-N 1 0 271.386 2.476 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063192314 400241541 /nfs/dbraw/zinc/24/15/41/400241541.db2.gz QBAWEENPWKSQJY-SMDDNHRTSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000305153126 289271499 /nfs/dbraw/zinc/27/14/99/289271499.db2.gz UTRRQUXOBVGYAJ-VXGBXAGGSA-N 1 0 266.341 2.276 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000360482617 155309496 /nfs/dbraw/zinc/30/94/96/155309496.db2.gz KJZCAZDHTGLYIR-ZDUSSCGKSA-N 1 0 296.367 2.442 20 5 CEBDRO CC[NH+](CC)CCOc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000192787173 153219820 /nfs/dbraw/zinc/21/98/20/153219820.db2.gz SIGGDDYLQWTSSR-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO CCC[N@H+](CC)CCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000220276491 153308629 /nfs/dbraw/zinc/30/86/29/153308629.db2.gz YNKCHEHDUBCMIM-UHFFFAOYSA-N 1 0 283.376 2.035 20 5 CEBDRO Cc1c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873519 153338593 /nfs/dbraw/zinc/33/85/93/153338593.db2.gz KYMAFDRWULCWTF-FZMZJTMJSA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cs1 ZINC000230315203 153390832 /nfs/dbraw/zinc/39/08/32/153390832.db2.gz DAMMEGNQQKNVSK-ZYHUDNBSSA-N 1 0 268.338 2.313 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230670640 153399300 /nfs/dbraw/zinc/39/93/00/153399300.db2.gz LQEWPFVHRHCYAR-AAEUAGOBSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000362063612 155743010 /nfs/dbraw/zinc/74/30/10/155743010.db2.gz HMOUXPIHXMLRBC-ONGXEEELSA-N 1 0 284.743 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367104672 156134753 /nfs/dbraw/zinc/13/47/53/156134753.db2.gz AMGCFSHYJGUQRV-UHFFFAOYSA-N 1 0 292.335 2.229 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000070172230 292415294 /nfs/dbraw/zinc/41/52/94/292415294.db2.gz WIJSHFLJRBFFQV-NWDGAFQWSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@@H]([NH2+]CCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148654263 162300777 /nfs/dbraw/zinc/30/07/77/162300777.db2.gz KXCKQSWPDOTNRF-CYBMUJFWSA-N 1 0 289.339 2.007 20 5 CEBDRO COc1cccc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000166858167 162353244 /nfs/dbraw/zinc/35/32/44/162353244.db2.gz IQBUPXZIWJOIDY-SNVBAGLBSA-N 1 0 265.313 2.157 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000174511189 165107983 /nfs/dbraw/zinc/10/79/83/165107983.db2.gz PIBBZWRHESJSEE-SNVBAGLBSA-N 1 0 297.380 2.070 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000284306634 196025670 /nfs/dbraw/zinc/02/56/70/196025670.db2.gz SEJVSICJOWTSGD-LLVKDONJSA-N 1 0 299.758 2.284 20 5 CEBDRO COC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672348 196108466 /nfs/dbraw/zinc/10/84/66/196108466.db2.gz YSSYGIAUTWDJHC-ZDUSSCGKSA-N 1 0 294.351 2.221 20 5 CEBDRO CC(C)OC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285461672 196291661 /nfs/dbraw/zinc/29/16/61/196291661.db2.gz ZHRZBVZCFLLSSY-UHFFFAOYSA-N 1 0 294.351 2.411 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000038087968 174100742 /nfs/dbraw/zinc/10/07/42/174100742.db2.gz MFORFEWTYKYCDG-GHMZBOCLSA-N 1 0 251.330 2.196 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000038094235 174107487 /nfs/dbraw/zinc/10/74/87/174107487.db2.gz XPPCNILOJBPONZ-NSHDSACASA-N 1 0 250.298 2.029 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604229556 414821704 /nfs/dbraw/zinc/82/17/04/414821704.db2.gz UKEMDJKVZOAMGD-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO C[NH2+]C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142004 176040305 /nfs/dbraw/zinc/04/03/05/176040305.db2.gz DOODWQUJKSLKBL-NWDGAFQWSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423395 177265985 /nfs/dbraw/zinc/26/59/85/177265985.db2.gz OVAIGVBVIPSSSQ-BDAKNGLRSA-N 1 0 272.732 2.355 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000077730267 177296925 /nfs/dbraw/zinc/29/69/25/177296925.db2.gz HDKIZSGLXMGFNO-ZDUSSCGKSA-N 1 0 293.367 2.301 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000567343371 299054298 /nfs/dbraw/zinc/05/42/98/299054298.db2.gz JUGAFSVEYDBVCG-NSHDSACASA-N 1 0 291.351 2.209 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000449150710 260258338 /nfs/dbraw/zinc/25/83/38/260258338.db2.gz SQLFLCSFHWLTNC-LLVKDONJSA-N 1 0 264.325 2.030 20 5 CEBDRO COC[C@H](C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518009624 260333337 /nfs/dbraw/zinc/33/33/37/260333337.db2.gz GYZWISQKKPENCB-LLVKDONJSA-N 1 0 291.351 2.491 20 5 CEBDRO CC[NH+](CC)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000207940203 260372618 /nfs/dbraw/zinc/37/26/18/260372618.db2.gz NDDMQTGSTNRMLX-YFHOEESVSA-N 1 0 291.351 2.066 20 5 CEBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000190039866 270266375 /nfs/dbraw/zinc/26/63/75/270266375.db2.gz ANBGETXGNKHBFL-OLZOCXBDSA-N 1 0 298.412 2.445 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C[NH3+] ZINC000397477629 270354095 /nfs/dbraw/zinc/35/40/95/270354095.db2.gz IQHKQGNZIMSOFZ-BBBLOLIVSA-N 1 0 297.380 2.102 20 5 CEBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064221 270355983 /nfs/dbraw/zinc/35/59/83/270355983.db2.gz HENHMKTWPFCGSA-JOYOIKCWSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[C@H]1CCC[NH2+]1 ZINC000420237200 270491100 /nfs/dbraw/zinc/49/11/00/270491100.db2.gz KWBJVDYVRJWTQX-GFCCVEGCSA-N 1 0 286.335 2.119 20 5 CEBDRO CC(=O)c1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420261987 270497456 /nfs/dbraw/zinc/49/74/56/270497456.db2.gz QVNOBVVNOIXTAP-ZWNOBZJWSA-N 1 0 291.351 2.361 20 5 CEBDRO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422943410 270804019 /nfs/dbraw/zinc/80/40/19/270804019.db2.gz LJKCPDMSJVEZQT-AAEUAGOBSA-N 1 0 263.341 2.073 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1(C[NH3+])CCC1 ZINC000423705591 270933118 /nfs/dbraw/zinc/93/31/18/270933118.db2.gz OWOMIVUWYAQEHI-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000428444337 271266764 /nfs/dbraw/zinc/26/67/64/271266764.db2.gz VMHSIENJAYEJSZ-ZKKXHLJNSA-N 1 0 276.336 2.455 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000430227738 271365758 /nfs/dbraw/zinc/36/57/58/271365758.db2.gz SJMUUHPMQJLZTL-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1c(CN[C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430557851 271390460 /nfs/dbraw/zinc/39/04/60/271390460.db2.gz UAOIAISBXJJHNT-CQSZACIVSA-N 1 0 263.341 2.120 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000088147731 274762096 /nfs/dbraw/zinc/76/20/96/274762096.db2.gz GEKNORZECGPTOO-YPMHNXCESA-N 1 0 291.351 2.245 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000266271799 275036787 /nfs/dbraw/zinc/03/67/87/275036787.db2.gz RGKHJQUFZGPYPB-GFCCVEGCSA-N 1 0 277.299 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[NH+]1CCCCC1)CCN2 ZINC000278459878 275038597 /nfs/dbraw/zinc/03/85/97/275038597.db2.gz SPGUZVXMRBJNDA-UHFFFAOYSA-N 1 0 290.367 2.461 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301751653 276032375 /nfs/dbraw/zinc/03/23/75/276032375.db2.gz VABFAKPAGTVBCM-GFCCVEGCSA-N 1 0 298.774 2.420 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296076602 276148914 /nfs/dbraw/zinc/14/89/14/276148914.db2.gz WZASCFQEWNPNOP-PXWWUCIGSA-N 1 0 276.336 2.430 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000188469001 276303972 /nfs/dbraw/zinc/30/39/72/276303972.db2.gz NSFPWKVKBWZNIT-GHMZBOCLSA-N 1 0 279.340 2.112 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CO ZINC000271173844 276429080 /nfs/dbraw/zinc/42/90/80/276429080.db2.gz UUBDGLSYGJTSAW-MNOVXSKESA-N 1 0 284.381 2.436 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132821632 276642211 /nfs/dbraw/zinc/64/22/11/276642211.db2.gz PEMDYFVXPWOCGH-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000020479103 277050415 /nfs/dbraw/zinc/05/04/15/277050415.db2.gz MYHJYUUOZGZLDB-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000266424132 277937663 /nfs/dbraw/zinc/93/76/63/277937663.db2.gz SIUUQUSIINLZIA-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO CC(=O)c1ccc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000053245571 278246608 /nfs/dbraw/zinc/24/66/08/278246608.db2.gz OOZNKLPLAPZTTJ-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1[C@H](C)N(c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000356793114 279104362 /nfs/dbraw/zinc/10/43/62/279104362.db2.gz KBLCBLQAVPQFMF-ZJUUUORDSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262848342 279105279 /nfs/dbraw/zinc/10/52/79/279105279.db2.gz YYKYOXHTFSLKBQ-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178204 279669888 /nfs/dbraw/zinc/66/98/88/279669888.db2.gz OYAPUSOZBVYMFE-IINYFYTJSA-N 1 0 281.331 2.293 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000086697451 279695924 /nfs/dbraw/zinc/69/59/24/279695924.db2.gz PRYXSPUNXSDCJY-ZDUSSCGKSA-N 1 0 252.314 2.355 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971906 279790650 /nfs/dbraw/zinc/79/06/50/279790650.db2.gz DQGZKZQORLFWEL-CORIIIEPSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000130117795 279930247 /nfs/dbraw/zinc/93/02/47/279930247.db2.gz GQHZQBFSQJPCRQ-SMDDNHRTSA-N 1 0 291.351 2.162 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133544626 280000403 /nfs/dbraw/zinc/00/04/03/280000403.db2.gz YAAZDNIASYIDFJ-CQSZACIVSA-N 1 0 289.379 2.437 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134822420 280031192 /nfs/dbraw/zinc/03/11/92/280031192.db2.gz LVZALSSVZSEWCX-LLVKDONJSA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347138827 280374345 /nfs/dbraw/zinc/37/43/45/280374345.db2.gz VBPZFGQNTZSVAL-UJAVWCLSSA-N 1 0 287.363 2.434 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)CC[C@H]2C)n1 ZINC000359095887 280398728 /nfs/dbraw/zinc/39/87/28/280398728.db2.gz KNIZZRWQDRQECK-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415485891 280400863 /nfs/dbraw/zinc/40/08/63/280400863.db2.gz RAEGLDIMXPUVTB-QWRGUYRKSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340790296 280583874 /nfs/dbraw/zinc/58/38/74/280583874.db2.gz XQKRMMNYPMJLHE-PSLIRLAXSA-N 1 0 287.319 2.268 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000070176051 280764545 /nfs/dbraw/zinc/76/45/45/280764545.db2.gz NTHIRNNCTBNSFV-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286208627 281020302 /nfs/dbraw/zinc/02/03/02/281020302.db2.gz OHRDJSRTDKHBMB-JTNHKYCSSA-N 1 0 291.351 2.017 20 5 CEBDRO Cc1c([C@H](C)N[C@H](C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423433986 281040033 /nfs/dbraw/zinc/04/00/33/281040033.db2.gz CSKCJRXIGLUKMZ-MXWKQRLJSA-N 1 0 251.330 2.290 20 5 CEBDRO CC[C@H]([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464123 281048148 /nfs/dbraw/zinc/04/81/48/281048148.db2.gz LVRPLGIHUQNASH-SMDDNHRTSA-N 1 0 263.341 2.299 20 5 CEBDRO COC(=O)CC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000424310107 281145832 /nfs/dbraw/zinc/14/58/32/281145832.db2.gz JHTFNDOBLXCAQC-UHFFFAOYSA-N 1 0 292.335 2.069 20 5 CEBDRO COCC(C)(C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000425269213 281184142 /nfs/dbraw/zinc/18/41/42/281184142.db2.gz BOVPYKZOCSARKZ-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO Cc1ccnc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286472907 281465485 /nfs/dbraw/zinc/46/54/85/281465485.db2.gz VZELDZGSCHDHDR-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546600 281834647 /nfs/dbraw/zinc/83/46/47/281834647.db2.gz XHFGXJIUASEQQR-AGIUHOORSA-N 1 0 296.371 2.026 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000151321639 289054908 /nfs/dbraw/zinc/05/49/08/289054908.db2.gz YQIRCPORZFDQJL-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380386 290131822 /nfs/dbraw/zinc/13/18/22/290131822.db2.gz BJCBDRBWRWMIRJ-GXTWGEPZSA-N 1 0 291.351 2.162 20 5 CEBDRO CON1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000459577322 290184647 /nfs/dbraw/zinc/18/46/47/290184647.db2.gz ILCAEXBBNZWLRS-UHFFFAOYSA-N 1 0 293.367 2.095 20 5 CEBDRO Cc1noc(C2CN(Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000459604976 290192835 /nfs/dbraw/zinc/19/28/35/290192835.db2.gz KNWHWQMOSOITCQ-UHFFFAOYSA-N 1 0 292.270 2.025 20 5 CEBDRO CC(C)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487999426 290373351 /nfs/dbraw/zinc/37/33/51/290373351.db2.gz AIOIVFFOOZHGFT-INIZCTEOSA-N 1 0 291.395 2.409 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490822893 290492381 /nfs/dbraw/zinc/49/23/81/290492381.db2.gz OXVXWDDLYIUYPF-HJWRWDBZSA-N 1 0 291.351 2.064 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000188170635 293155007 /nfs/dbraw/zinc/15/50/07/293155007.db2.gz RXDNMAJZWGRVIJ-AWEZNQCLSA-N 1 0 294.351 2.126 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000530464099 298073329 /nfs/dbraw/zinc/07/33/29/298073329.db2.gz WUAZDKOVJOOXSW-SZTZYQKNSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000543454075 298310147 /nfs/dbraw/zinc/31/01/47/298310147.db2.gz CNTGWBBXTIBVTA-SNVBAGLBSA-N 1 0 289.335 2.454 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000563120879 298738865 /nfs/dbraw/zinc/73/88/65/298738865.db2.gz KUQKVZGDUUBBTH-VIFPVBQESA-N 1 0 279.300 2.029 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000567898426 313917627 /nfs/dbraw/zinc/91/76/27/313917627.db2.gz POAVZAPJGWPUDR-JQWIXIFHSA-N 1 0 250.298 2.170 20 5 CEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000573216387 314146827 /nfs/dbraw/zinc/14/68/27/314146827.db2.gz WZTANBRUXMLUCJ-CQSZACIVSA-N 1 0 294.330 2.051 20 5 CEBDRO CC(C)c1ccc(CN(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576464399 314278431 /nfs/dbraw/zinc/27/84/31/314278431.db2.gz JFVWSAIVOLQYKR-UHFFFAOYSA-N 1 0 265.357 2.499 20 5 CEBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000381173968 321833263 /nfs/dbraw/zinc/83/32/63/321833263.db2.gz OQLPBMRZXHBZMZ-CMPLNLGQSA-N 1 0 279.315 2.231 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000582608512 322487745 /nfs/dbraw/zinc/48/77/45/322487745.db2.gz ISESHLIUDUMKNC-RISCZKNCSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC2(CC[NH2+]C2)CC1 ZINC000582955172 322514914 /nfs/dbraw/zinc/51/49/14/322514914.db2.gz LRPDGPLWTXXHMW-UHFFFAOYSA-N 1 0 275.352 2.483 20 5 CEBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+](C)C ZINC000584115296 327041624 /nfs/dbraw/zinc/04/16/24/327041624.db2.gz DDNXUQSFMHQZLS-UHFFFAOYSA-N 1 0 294.355 2.307 20 5 CEBDRO C[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294911 533713100 /nfs/dbraw/zinc/71/31/00/533713100.db2.gz DETRGZVNCYKBAZ-QMTHXVAHSA-N 1 0 264.325 2.333 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049558191 519776334 /nfs/dbraw/zinc/77/63/34/519776334.db2.gz LCONJDDSELKPMV-NSHDSACASA-N 1 0 266.345 2.378 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000061781962 519858930 /nfs/dbraw/zinc/85/89/30/519858930.db2.gz ROKYZEMGAUKRGY-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000161124720 521161456 /nfs/dbraw/zinc/16/14/56/521161456.db2.gz ROIJRKJTCSEDMR-UHFFFAOYSA-N 1 0 288.351 2.393 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000052812239 521659760 /nfs/dbraw/zinc/65/97/60/521659760.db2.gz VDKAIGNFNDYRTG-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726551 523632516 /nfs/dbraw/zinc/63/25/16/523632516.db2.gz LMYQXEQEFZKEOU-GXTWGEPZSA-N 1 0 264.325 2.294 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231871 524052146 /nfs/dbraw/zinc/05/21/46/524052146.db2.gz DNGDBYAAXKQODA-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])on1 ZINC000062726525 524754979 /nfs/dbraw/zinc/75/49/79/524754979.db2.gz MUCUSWZRSZVPSY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125872766 527872332 /nfs/dbraw/zinc/87/23/32/527872332.db2.gz NJDVDXOPLLJZEG-OLZOCXBDSA-N 1 0 292.335 2.416 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733330339 574665080 /nfs/dbraw/zinc/66/50/80/574665080.db2.gz ULIDVCPFAQAEKW-JTQLQIEISA-N 1 0 278.230 2.262 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000734479726 574715365 /nfs/dbraw/zinc/71/53/65/574715365.db2.gz ZRMDCMKJHXVUJD-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000748242499 575181134 /nfs/dbraw/zinc/18/11/34/575181134.db2.gz NSJIASSIRORQML-AWEZNQCLSA-N 1 0 280.324 2.416 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071300333 623373435 /nfs/dbraw/zinc/37/34/35/623373435.db2.gz XWIPBOCIXXKABW-HZMBPMFUSA-N 1 0 264.325 2.325 20 5 CEBDRO CCO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932973000 623431372 /nfs/dbraw/zinc/43/13/72/623431372.db2.gz RUQAWKPSCSGDEM-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCSC2)cc1 ZINC000167445768 625661410 /nfs/dbraw/zinc/66/14/10/625661410.db2.gz DZVHJZHGUFJXOZ-AAEUAGOBSA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@H](CNc1c2cc(F)ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000891756717 623946419 /nfs/dbraw/zinc/94/64/19/623946419.db2.gz SSPHFHMTTZKGOV-SECBINFHSA-N 1 0 292.314 2.066 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000235680600 625707941 /nfs/dbraw/zinc/70/79/41/625707941.db2.gz ZBAVKYPHFLBGRB-IUCAKERBSA-N 1 0 297.742 2.119 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126065 624248331 /nfs/dbraw/zinc/24/83/31/624248331.db2.gz SORFWEGBQYSDJU-QWHCGFSZSA-N 1 0 250.298 2.204 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000934352543 624435426 /nfs/dbraw/zinc/43/54/26/624435426.db2.gz YKJSSPIBXQCGRK-GUTXKFCHSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000235187611 625052911 /nfs/dbraw/zinc/05/29/11/625052911.db2.gz GKPZFLBBDVHCAP-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966708 627906177 /nfs/dbraw/zinc/90/61/77/627906177.db2.gz YFTJZVRYIIVGGV-LLVKDONJSA-N 1 0 298.339 2.070 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000893079827 627986387 /nfs/dbraw/zinc/98/63/87/627986387.db2.gz KJOZWEDNGJDSBK-NXEZZACHSA-N 1 0 294.311 2.032 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000035697357 628195596 /nfs/dbraw/zinc/19/55/96/628195596.db2.gz DJCONZUSRNMWMT-LLVKDONJSA-N 1 0 274.280 2.459 20 5 CEBDRO COC(=O)/C(C)=C/CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775572127 628273405 /nfs/dbraw/zinc/27/34/05/628273405.db2.gz OEBCHXDXTSGIBL-UQSGXBNBSA-N 1 0 278.308 2.365 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000931043635 628342952 /nfs/dbraw/zinc/34/29/52/628342952.db2.gz SFBDYQWWZQCVBZ-RISCZKNCSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931045941 628346180 /nfs/dbraw/zinc/34/61/80/628346180.db2.gz ZMOAXZWZZTZCIE-YMTOWFKASA-N 1 0 299.321 2.397 20 5 CEBDRO COCC[C@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000313250455 628585028 /nfs/dbraw/zinc/58/50/28/628585028.db2.gz XIKSOSRWQZBJKQ-CYBMUJFWSA-N 1 0 282.340 2.044 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000203999891 628635499 /nfs/dbraw/zinc/63/54/99/628635499.db2.gz IDNAGGOMASOBSM-CQSZACIVSA-N 1 0 279.315 2.266 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261596888 628943298 /nfs/dbraw/zinc/94/32/98/628943298.db2.gz UIQRTMWPNVTAKN-NSHDSACASA-N 1 0 280.328 2.090 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000261625979 628951271 /nfs/dbraw/zinc/95/12/71/628951271.db2.gz CEFDDBRICUEWJU-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261626790 628951957 /nfs/dbraw/zinc/95/19/57/628951957.db2.gz DXRRFZQESORNLT-LBPRGKRZSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261653162 628961844 /nfs/dbraw/zinc/96/18/44/628961844.db2.gz UFODZZORMXDOOO-MFKMUULPSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000261923014 629322226 /nfs/dbraw/zinc/32/22/26/629322226.db2.gz KSSGOMACCRQPMX-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261941891 629362279 /nfs/dbraw/zinc/36/22/79/629362279.db2.gz DVGQKRZNZGVIPG-CQSZACIVSA-N 1 0 295.770 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928427502 629503778 /nfs/dbraw/zinc/50/37/78/629503778.db2.gz MZVWGZJRCWHHEP-RYUDHWBXSA-N 1 0 291.351 2.034 20 5 CEBDRO CN(CCc1ccccc1[N+](=O)[O-])Cn1cc[nH]c1=S ZINC000795644801 629640955 /nfs/dbraw/zinc/64/09/55/629640955.db2.gz PKNBDCIAIBHBJC-UHFFFAOYSA-N 1 0 292.364 2.212 20 5 CEBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC000841232176 629777113 /nfs/dbraw/zinc/77/71/13/629777113.db2.gz BEDJAFOIBUSJIN-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000902649861 634766191 /nfs/dbraw/zinc/76/61/91/634766191.db2.gz GNIHXEKRNGMGKK-RYUDHWBXSA-N 1 0 264.329 2.240 20 5 CEBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000895059073 629832794 /nfs/dbraw/zinc/83/27/94/629832794.db2.gz RAUONJRSPSHKLW-VIFPVBQESA-N 1 0 284.747 2.222 20 5 CEBDRO C[C@H](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000895293256 630084840 /nfs/dbraw/zinc/08/48/40/630084840.db2.gz XCWDAQRYVKJIGN-SNVBAGLBSA-N 1 0 292.339 2.166 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)[NH+](C)C ZINC000895296739 630089578 /nfs/dbraw/zinc/08/95/78/630089578.db2.gz DEQAQTADHXHTAQ-LBPRGKRZSA-N 1 0 295.383 2.423 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000895325360 630112768 /nfs/dbraw/zinc/11/27/68/630112768.db2.gz PXXOHRSOBMNRRQ-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO Cc1cnc(N2CC[C@@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895331312 630120032 /nfs/dbraw/zinc/12/00/32/630120032.db2.gz UQJDDLRZKHKNRA-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC2CC(C)C2)c1[N+](=O)[O-] ZINC000895514284 630230423 /nfs/dbraw/zinc/23/04/23/630230423.db2.gz QFWHVNSGXLVKCI-UHFFFAOYSA-N 1 0 280.324 2.445 20 5 CEBDRO C[C@H]1[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895740680 630320443 /nfs/dbraw/zinc/32/04/43/630320443.db2.gz PGTNDRZTUOFKCC-JOYOIKCWSA-N 1 0 287.323 2.043 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000896509752 630578359 /nfs/dbraw/zinc/57/83/59/630578359.db2.gz JIKFRUSCTLXJDO-JUDXGUMMSA-N 1 0 294.351 2.438 20 5 CEBDRO CSCCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799198726 630996551 /nfs/dbraw/zinc/99/65/51/630996551.db2.gz KKRXRJLWMWWMHA-CYBMUJFWSA-N 1 0 284.381 2.313 20 5 CEBDRO CO[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064947 631245135 /nfs/dbraw/zinc/24/51/35/631245135.db2.gz PQUHAOUSZBZSSM-RKDXNWHRSA-N 1 0 256.277 2.419 20 5 CEBDRO COCCOC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460585 631531219 /nfs/dbraw/zinc/53/12/19/631531219.db2.gz UQZNWQBPMGPAPC-STQMWFEESA-N 1 0 296.367 2.339 20 5 CEBDRO C[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804330056 631664855 /nfs/dbraw/zinc/66/48/55/631664855.db2.gz JEUORFVSICKZIE-UHFFFAOYSA-N 1 0 280.284 2.009 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804424257 631680624 /nfs/dbraw/zinc/68/06/24/631680624.db2.gz HRSPJALSXMUSEC-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925306116 631762345 /nfs/dbraw/zinc/76/23/45/631762345.db2.gz GPZDOQKTECRVQX-CMPLNLGQSA-N 1 0 292.339 2.117 20 5 CEBDRO CC1(C)CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000898034889 632027894 /nfs/dbraw/zinc/02/78/94/632027894.db2.gz AIKQMYMCFYKKBI-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO CC1(C)CC[N@H+](CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000898035686 632030192 /nfs/dbraw/zinc/03/01/92/632030192.db2.gz WBQVAILTQYUOFO-UHFFFAOYSA-N 1 0 283.397 2.478 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898207007 632087996 /nfs/dbraw/zinc/08/79/96/632087996.db2.gz YFNAAHOCWWYZHL-CQSZACIVSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898388608 632477935 /nfs/dbraw/zinc/47/79/35/632477935.db2.gz UWLKDXVQUPWQTI-OLZOCXBDSA-N 1 0 262.309 2.109 20 5 CEBDRO CC[C@@H]1CN(C)CCN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000814938823 632936189 /nfs/dbraw/zinc/93/61/89/632936189.db2.gz WDPFMLQXLWWVAE-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583943 633035013 /nfs/dbraw/zinc/03/50/13/633035013.db2.gz RNYLMDXKFDUWEZ-NTZNESFSSA-N 1 0 292.383 2.310 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000905213186 635883772 /nfs/dbraw/zinc/88/37/72/635883772.db2.gz BWIZWMNMLMBVGN-UHFFFAOYSA-N 1 0 278.352 2.240 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C1 ZINC000899871682 633064428 /nfs/dbraw/zinc/06/44/28/633064428.db2.gz UITVXCNTOORGAE-CQSZACIVSA-N 1 0 291.395 2.285 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000817125668 633588844 /nfs/dbraw/zinc/58/88/44/633588844.db2.gz SQJOYXZSEPATLM-UHFFFAOYSA-N 1 0 278.356 2.462 20 5 CEBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819121125 634074132 /nfs/dbraw/zinc/07/41/32/634074132.db2.gz HEIYMUAMXMXSPA-BXUZGUMPSA-N 1 0 296.367 2.015 20 5 CEBDRO Cc1cncc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819193969 634100238 /nfs/dbraw/zinc/10/02/38/634100238.db2.gz NCNMIERRLCBIFT-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC(C)(CCCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819206209 634104376 /nfs/dbraw/zinc/10/43/76/634104376.db2.gz XMIYXARQNQELOL-AWEZNQCLSA-N 1 0 296.367 2.017 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC(F)(F)C2)c1 ZINC000819264326 634121246 /nfs/dbraw/zinc/12/12/46/634121246.db2.gz REYOZKPAWUFSMP-NSHDSACASA-N 1 0 272.251 2.016 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819368974 634158665 /nfs/dbraw/zinc/15/86/65/634158665.db2.gz JITXZOPHTXFDBO-RYUDHWBXSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000822518826 634935866 /nfs/dbraw/zinc/93/58/66/634935866.db2.gz XUODTAHTAFQNTL-CHWSQXEVSA-N 1 0 299.415 2.059 20 5 CEBDRO [NH3+]CCCCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646351 634962684 /nfs/dbraw/zinc/96/26/84/634962684.db2.gz FSDMCJIVOPTYBG-UHFFFAOYSA-N 1 0 290.323 2.240 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128498 634983648 /nfs/dbraw/zinc/98/36/48/634983648.db2.gz ZSTFNICZSNQABW-KOLCDFICSA-N 1 0 266.297 2.043 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000822807678 635000589 /nfs/dbraw/zinc/00/05/89/635000589.db2.gz DCBKTIYXEPQPSG-VIFPVBQESA-N 1 0 276.296 2.233 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903189884 635013669 /nfs/dbraw/zinc/01/36/69/635013669.db2.gz KCVZRRIEPSEVKE-NSHDSACASA-N 1 0 293.367 2.348 20 5 CEBDRO Cc1cc(Cc2noc([C@H](C)[C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863712 635015215 /nfs/dbraw/zinc/01/52/15/635015215.db2.gz SKOGPRSHBWWXDX-NXEZZACHSA-N 1 0 290.323 2.328 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903223601 635023431 /nfs/dbraw/zinc/02/34/31/635023431.db2.gz HQVZCWZKKUYZMB-BHDSKKPTSA-N 1 0 280.324 2.289 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286827 635050792 /nfs/dbraw/zinc/05/07/92/635050792.db2.gz HPOIAWUUIMIMIF-JTNHKYCSSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000903321392 635055154 /nfs/dbraw/zinc/05/51/54/635055154.db2.gz DEMGVSABVVCHIC-RYUDHWBXSA-N 1 0 263.341 2.258 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C2CC(CCO)C2)cc([N+](=O)[O-])c1 ZINC000903332721 635078551 /nfs/dbraw/zinc/07/85/51/635078551.db2.gz KUWLGNLXSBQCEJ-XSRFYTQQSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C(C)(C)O ZINC000903391368 635087841 /nfs/dbraw/zinc/08/78/41/635087841.db2.gz YZJINWLTXCQHPB-ZJUUUORDSA-N 1 0 284.331 2.414 20 5 CEBDRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000823218258 635101915 /nfs/dbraw/zinc/10/19/15/635101915.db2.gz BQWGHGDCAYHFMM-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000903796836 635274945 /nfs/dbraw/zinc/27/49/45/635274945.db2.gz ZBVSEIKBMTWIED-DZGCQCFKSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000903798456 635275733 /nfs/dbraw/zinc/27/57/33/635275733.db2.gz NNIJUOVSFXSMPF-YPMHNXCESA-N 1 0 281.381 2.360 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC(C)(C)[NH3+] ZINC000903939214 635351372 /nfs/dbraw/zinc/35/13/72/635351372.db2.gz WDNODCQCUKWBCO-UHFFFAOYSA-N 1 0 281.356 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000824432318 635425352 /nfs/dbraw/zinc/42/53/52/635425352.db2.gz QWUSXHSXEDBTFY-LLVKDONJSA-N 1 0 293.367 2.282 20 5 CEBDRO C[NH2+]CCCCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000904079962 635440681 /nfs/dbraw/zinc/44/06/81/635440681.db2.gz QCZSCMNHDHFCKH-UHFFFAOYSA-N 1 0 290.323 2.111 20 5 CEBDRO CC[N@H+](CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000825648731 635685832 /nfs/dbraw/zinc/68/58/32/635685832.db2.gz ZUXWYQSBIHKSQE-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1cc(Cl)ccc1OCCC[NH2+]CC[N+](=O)[O-] ZINC000905068280 635810239 /nfs/dbraw/zinc/81/02/39/635810239.db2.gz MNTFCNRMNWFJBN-UHFFFAOYSA-N 1 0 272.732 2.284 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000905135931 635840354 /nfs/dbraw/zinc/84/03/54/635840354.db2.gz XVVNEZXCPMXIFO-LLVKDONJSA-N 1 0 283.759 2.175 20 5 CEBDRO CC[NH+](CC)CCOc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905329442 636234508 /nfs/dbraw/zinc/23/45/08/636234508.db2.gz PMSIHSCDDYAROA-UHFFFAOYSA-N 1 0 281.356 2.096 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000827695940 636394061 /nfs/dbraw/zinc/39/40/61/636394061.db2.gz FMUCVEMKLGAVDW-SNVBAGLBSA-N 1 0 289.339 2.367 20 5 CEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC000906178620 636638705 /nfs/dbraw/zinc/63/87/05/636638705.db2.gz KPNFAFSOELLZNU-UHFFFAOYSA-N 1 0 298.342 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000876509684 650296201 /nfs/dbraw/zinc/29/62/01/650296201.db2.gz GJJSPHPEKXNFLB-ZDUSSCGKSA-N 1 0 278.352 2.416 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000876537602 650311206 /nfs/dbraw/zinc/31/12/06/650311206.db2.gz VTRDJFOOWSEFKX-HNNXBMFYSA-N 1 0 299.330 2.215 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCCCCCCC2)n1 ZINC000831933186 637463766 /nfs/dbraw/zinc/46/37/66/637463766.db2.gz YIERDJAXSBWYCM-UHFFFAOYSA-N 1 0 266.345 2.448 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910297024 638000618 /nfs/dbraw/zinc/00/06/18/638000618.db2.gz UFUXNIVMVBYUQV-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=CCC[NH2+]CC1 ZINC000911907123 638474198 /nfs/dbraw/zinc/47/41/98/638474198.db2.gz RZOIUFFETHATIS-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000876869427 650465570 /nfs/dbraw/zinc/46/55/70/650465570.db2.gz FRKYQSINENRINM-NWDGAFQWSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@@H]([NH2+]C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000044626030 639349557 /nfs/dbraw/zinc/34/95/57/639349557.db2.gz FTVYUAZDSZSQLK-SNVBAGLBSA-N 1 0 262.269 2.315 20 5 CEBDRO C[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061444 639638518 /nfs/dbraw/zinc/63/85/18/639638518.db2.gz JIEJOXUZCIWWFX-CABZTGNLSA-N 1 0 283.759 2.478 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000841079171 639648116 /nfs/dbraw/zinc/64/81/16/639648116.db2.gz MCEATZRBAAMFBZ-UWVGGRQHSA-N 1 0 287.722 2.038 20 5 CEBDRO CC(C)([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104549 639660175 /nfs/dbraw/zinc/66/01/75/639660175.db2.gz YHQQXPKYEKALHJ-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876978223 650516249 /nfs/dbraw/zinc/51/62/49/650516249.db2.gz LUXZTECMUBUFJY-SNVBAGLBSA-N 1 0 287.319 2.086 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063166966 639835801 /nfs/dbraw/zinc/83/58/01/639835801.db2.gz QSPLZRFEWVXSOG-NSHDSACASA-N 1 0 269.370 2.230 20 5 CEBDRO Cc1c(CNC(=[NH2+])NC2CCCC2)cccc1[N+](=O)[O-] ZINC000231865037 639881032 /nfs/dbraw/zinc/88/10/32/639881032.db2.gz OZVMEDWSACIMGG-UHFFFAOYSA-N 1 0 276.340 2.460 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476181 640075427 /nfs/dbraw/zinc/07/54/27/640075427.db2.gz ISCCHAHKYZBXAK-CYBMUJFWSA-N 1 0 281.331 2.212 20 5 CEBDRO C[NH2+]C[C@H](C)c1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000842580738 640107890 /nfs/dbraw/zinc/10/78/90/640107890.db2.gz QDLGLPHKRSGWKQ-VIFPVBQESA-N 1 0 290.323 2.200 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000842587322 640110132 /nfs/dbraw/zinc/11/01/32/640110132.db2.gz ZEDYMJBEUCMPOZ-VIFPVBQESA-N 1 0 270.333 2.103 20 5 CEBDRO O=[N+]([O-])c1cccc(Cc2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000842664747 640140966 /nfs/dbraw/zinc/14/09/66/640140966.db2.gz HIOLAOIARJJDFQ-NSHDSACASA-N 1 0 288.307 2.036 20 5 CEBDRO COC(C)(C)C[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877064984 650556443 /nfs/dbraw/zinc/55/64/43/650556443.db2.gz XMDCCYAVLFTRTE-UNXYVOJBSA-N 1 0 296.371 2.288 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057860 640259404 /nfs/dbraw/zinc/25/94/04/640259404.db2.gz MRTSRRRUGCOMQJ-ZJUUUORDSA-N 1 0 283.759 2.417 20 5 CEBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843170042 640323173 /nfs/dbraw/zinc/32/31/73/640323173.db2.gz ZFJXUCXKPAFEMD-QMMMGPOBSA-N 1 0 291.311 2.288 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843191299 640343233 /nfs/dbraw/zinc/34/32/33/640343233.db2.gz CSTVNLAIUVVAFY-SNVBAGLBSA-N 1 0 290.323 2.200 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000843797902 640529179 /nfs/dbraw/zinc/52/91/79/640529179.db2.gz OWMMEJMVHBGTBJ-SECBINFHSA-N 1 0 297.330 2.112 20 5 CEBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917082448 640846663 /nfs/dbraw/zinc/84/66/63/640846663.db2.gz SYZDMMDEXMYIEK-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC000877292706 650660111 /nfs/dbraw/zinc/66/01/11/650660111.db2.gz SAHGHXNCEAFYQI-XYPYZODXSA-N 1 0 295.314 2.042 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000070141120 641635470 /nfs/dbraw/zinc/63/54/70/641635470.db2.gz OIXVMIOQXOTCAP-GFCCVEGCSA-N 1 0 262.265 2.011 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150161 641637067 /nfs/dbraw/zinc/63/70/67/641637067.db2.gz XAYSJIDDGYHFLH-CYBMUJFWSA-N 1 0 281.331 2.437 20 5 CEBDRO Cc1c(-c2noc(CC[NH2+]C3CC3)n2)cccc1[N+](=O)[O-] ZINC000848630509 642081939 /nfs/dbraw/zinc/08/19/39/642081939.db2.gz NEKONRSJTNKHMY-UHFFFAOYSA-N 1 0 288.307 2.248 20 5 CEBDRO CN1CCC[NH+]=C1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849016344 642232573 /nfs/dbraw/zinc/23/25/73/642232573.db2.gz HWXARRNLMFSGRA-UHFFFAOYSA-N 1 0 296.758 2.072 20 5 CEBDRO CSC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877484542 650743508 /nfs/dbraw/zinc/74/35/08/650743508.db2.gz IXMVGEVEKIQNGB-UHFFFAOYSA-N 1 0 296.396 2.370 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000849331030 642333018 /nfs/dbraw/zinc/33/30/18/642333018.db2.gz IQUBTULAYSESTL-KCPJHIHWSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccoc2)c1 ZINC000849329949 642333465 /nfs/dbraw/zinc/33/34/65/642333465.db2.gz YVTNZYAALRVQBF-CQSZACIVSA-N 1 0 276.292 2.054 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000850444994 642716021 /nfs/dbraw/zinc/71/60/21/642716021.db2.gz MUQOMPOLWHMYSS-YGRLFVJLSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480621 642727822 /nfs/dbraw/zinc/72/78/22/642727822.db2.gz AKZCZIISMJAZOD-GXSJLCMTSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850547796 642749125 /nfs/dbraw/zinc/74/91/25/642749125.db2.gz WOMNAHUFNQFXFS-QCZZGDTMSA-N 1 0 291.351 2.131 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850550051 642750029 /nfs/dbraw/zinc/75/00/29/642750029.db2.gz KKQGIFMHQOFDOK-NSHDSACASA-N 1 0 295.339 2.252 20 5 CEBDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000850550509 642750495 /nfs/dbraw/zinc/75/04/95/642750495.db2.gz PSVZYJFXEPCOPT-CYBMUJFWSA-N 1 0 295.339 2.334 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1F ZINC000311362500 642827629 /nfs/dbraw/zinc/82/76/29/642827629.db2.gz RAYMKHDNXJYSKZ-LLVKDONJSA-N 1 0 268.288 2.081 20 5 CEBDRO COC1([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877590842 650804260 /nfs/dbraw/zinc/80/42/60/650804260.db2.gz JFDNXUOXGFXACS-VOMCLLRMSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922643968 643175558 /nfs/dbraw/zinc/17/55/58/643175558.db2.gz YCRCYOKNASCBPT-FJYXQWIHSA-N 1 0 262.309 2.233 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000852096551 643299465 /nfs/dbraw/zinc/29/94/65/643299465.db2.gz LTMJXBYYMSFJKL-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C[C@@H]2O1 ZINC000922876624 643302419 /nfs/dbraw/zinc/30/24/19/643302419.db2.gz PINJZHDTDFALEQ-DEZZGGKRSA-N 1 0 292.335 2.367 20 5 CEBDRO Cc1ccc(C[NH2+]CCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000922931626 643457541 /nfs/dbraw/zinc/45/75/41/643457541.db2.gz VNYRNWXVZRGZJT-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534738 643460478 /nfs/dbraw/zinc/46/04/78/643460478.db2.gz OUZQUGDUBKTASE-FZMZJTMJSA-N 1 0 280.299 2.202 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000852555400 643469622 /nfs/dbraw/zinc/46/96/22/643469622.db2.gz TWUYRHIJKPTQCH-KGLIPLIRSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852669982 643506045 /nfs/dbraw/zinc/50/60/45/643506045.db2.gz UOEVHLLSZGQSSJ-ZYHUDNBSSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(COC2)C1 ZINC000852682956 643510476 /nfs/dbraw/zinc/51/04/76/643510476.db2.gz CTWXPMURGMBFIY-UHFFFAOYSA-N 1 0 282.727 2.471 20 5 CEBDRO C[N@@H+](CC1=CCSC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852747565 643532214 /nfs/dbraw/zinc/53/22/14/643532214.db2.gz OBERLKBGVIKTFP-CQSZACIVSA-N 1 0 294.376 2.233 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000852918129 643597619 /nfs/dbraw/zinc/59/76/19/643597619.db2.gz WSZPDMINLNRSEL-GFCCVEGCSA-N 1 0 297.330 2.146 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000839196029 644189486 /nfs/dbraw/zinc/18/94/86/644189486.db2.gz LHBJANRMHWBCJA-UQOMUDLDSA-N 1 0 276.336 2.406 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754524417 644384229 /nfs/dbraw/zinc/38/42/29/644384229.db2.gz XNFKVZDTMVIEMJ-ZDUSSCGKSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199792 644487054 /nfs/dbraw/zinc/48/70/54/644487054.db2.gz PDCVKTPRBFYQGF-FZMZJTMJSA-N 1 0 296.392 2.456 20 5 CEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855899494 644521233 /nfs/dbraw/zinc/52/12/33/644521233.db2.gz NFTYODQZNBNQHB-CYBMUJFWSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1cc(C(=O)OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000755722378 644550170 /nfs/dbraw/zinc/55/01/70/644550170.db2.gz QSTPAFRXJXUAQC-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO CC(C)[C@@H](O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917593 650947415 /nfs/dbraw/zinc/94/74/15/650947415.db2.gz YVZTUXFIACXRPM-AWEZNQCLSA-N 1 0 266.341 2.434 20 5 CEBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000839659447 644765993 /nfs/dbraw/zinc/76/59/93/644765993.db2.gz DUXLRODHNIGLOL-BXUZGUMPSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952536 650956696 /nfs/dbraw/zinc/95/66/96/650956696.db2.gz PCMVKFIUSDXLSB-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759072693 644983142 /nfs/dbraw/zinc/98/31/42/644983142.db2.gz VJCVKSNBWSHXMX-ZIAGYGMSSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000878147981 651013486 /nfs/dbraw/zinc/01/34/86/651013486.db2.gz CNESTPOCBDDBOF-UHFFFAOYSA-N 1 0 278.356 2.366 20 5 CEBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000862465629 646470219 /nfs/dbraw/zinc/47/02/19/646470219.db2.gz RYGDGDUXCFCZAS-JTQLQIEISA-N 1 0 282.321 2.008 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000771138842 646495771 /nfs/dbraw/zinc/49/57/71/646495771.db2.gz HDTZAORDQMZNRW-VIFPVBQESA-N 1 0 295.314 2.391 20 5 CEBDRO CCN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863551434 646754815 /nfs/dbraw/zinc/75/48/15/646754815.db2.gz MKMKVSXFAVGJMS-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000774536061 646858747 /nfs/dbraw/zinc/85/87/47/646858747.db2.gz GMSDQOIAYQBELR-CHWSQXEVSA-N 1 0 281.381 2.077 20 5 CEBDRO COC(C)(C)CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774911068 646908360 /nfs/dbraw/zinc/90/83/60/646908360.db2.gz GCOWLYNQTWDSEF-UHFFFAOYSA-N 1 0 297.311 2.360 20 5 CEBDRO [NH2+]=C(NCCC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000864450629 647006745 /nfs/dbraw/zinc/00/67/45/647006745.db2.gz AGKHXESGNDTXFK-UHFFFAOYSA-N 1 0 262.313 2.009 20 5 CEBDRO [NH2+]=C(NCCc1ccccc1[N+](=O)[O-])NCCC1CC1 ZINC000864460173 647014641 /nfs/dbraw/zinc/01/46/41/647014641.db2.gz HBXDAYAPLLXUPO-UHFFFAOYSA-N 1 0 276.340 2.051 20 5 CEBDRO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000776277601 647045267 /nfs/dbraw/zinc/04/52/67/647045267.db2.gz OMIZBKZJOXVZPO-UHIISALHSA-N 1 0 296.392 2.454 20 5 CEBDRO C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590125 647075301 /nfs/dbraw/zinc/07/53/01/647075301.db2.gz YJVSGLOPCNSROA-GXFFZTMASA-N 1 0 250.298 2.113 20 5 CEBDRO C[N@@H+](Cc1cccnc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593864 647076861 /nfs/dbraw/zinc/07/68/61/647076861.db2.gz OAFCXQCNYFIHTA-HNNXBMFYSA-N 1 0 287.319 2.155 20 5 CEBDRO Cc1nn(C)c(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866148745 647630083 /nfs/dbraw/zinc/63/00/83/647630083.db2.gz RJIIHAHYYZJIAG-UHFFFAOYSA-N 1 0 295.387 2.312 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000782485699 647630189 /nfs/dbraw/zinc/63/01/89/647630189.db2.gz DMATWIGNLRXXRM-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000866206026 647669779 /nfs/dbraw/zinc/66/97/79/647669779.db2.gz IIHDJLYOQQJGDW-FZMZJTMJSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1C ZINC000866242656 647690207 /nfs/dbraw/zinc/69/02/07/647690207.db2.gz QJVLPKJOFYJZIL-BXUZGUMPSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000866242659 647690404 /nfs/dbraw/zinc/69/04/04/647690404.db2.gz QJVLPKJOFYJZIL-FZMZJTMJSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)N(C)C ZINC000866259945 647700750 /nfs/dbraw/zinc/70/07/50/647700750.db2.gz RCGNRVQYUSNYLZ-GHMZBOCLSA-N 1 0 283.347 2.205 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000866261762 647701639 /nfs/dbraw/zinc/70/16/39/647701639.db2.gz ZKFDAJFHKIKQOI-GWCFXTLKSA-N 1 0 282.315 2.434 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]n1 ZINC000866269983 647708606 /nfs/dbraw/zinc/70/86/06/647708606.db2.gz QUESHNJWOFQNAL-VIFPVBQESA-N 1 0 292.314 2.486 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000866312432 647732183 /nfs/dbraw/zinc/73/21/83/647732183.db2.gz NNNTUUBCEQWSCN-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)O ZINC000783611025 647737169 /nfs/dbraw/zinc/73/71/69/647737169.db2.gz OFLGYPNMDKCBIO-MRVPVSSYSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c(F)c1 ZINC000866724353 647883401 /nfs/dbraw/zinc/88/34/01/647883401.db2.gz LJMVYSXPSIEPHI-KGLIPLIRSA-N 1 0 279.315 2.060 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000868009469 648019577 /nfs/dbraw/zinc/01/95/77/648019577.db2.gz CCVKIMXGJIUHSZ-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788690319 648215443 /nfs/dbraw/zinc/21/54/43/648215443.db2.gz WYRXPOKMFWYHHY-QWRGUYRKSA-N 1 0 281.356 2.236 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554820 648542723 /nfs/dbraw/zinc/54/27/23/648542723.db2.gz DRWUKTNSDLCMCB-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000871788583 649186880 /nfs/dbraw/zinc/18/68/80/649186880.db2.gz MMSBINBBSOLXAT-VIFPVBQESA-N 1 0 290.323 2.412 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872035037 649248639 /nfs/dbraw/zinc/24/86/39/649248639.db2.gz KAMBPYPIZIOJPR-MRVPVSSYSA-N 1 0 256.277 2.155 20 5 CEBDRO COCC(C)(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872243787 649326252 /nfs/dbraw/zinc/32/62/52/649326252.db2.gz WJUOHRJUQQMXKV-AWEZNQCLSA-N 1 0 296.367 2.281 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243246 649326488 /nfs/dbraw/zinc/32/64/88/649326488.db2.gz MHFBCKSFGOXNFO-UONOGXRCSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872293151 649348095 /nfs/dbraw/zinc/34/80/95/649348095.db2.gz IJTDHTOLNWKTFK-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1 ZINC000872779014 649486214 /nfs/dbraw/zinc/48/62/14/649486214.db2.gz CIGTYHKUXXKHJE-ZIAGYGMSSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCOC1 ZINC000873046387 649542466 /nfs/dbraw/zinc/54/24/66/649542466.db2.gz LGRDAGIWRDHWCM-GFCCVEGCSA-N 1 0 264.325 2.480 20 5 CEBDRO Cc1c(C[NH2+]CC2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000873051733 649543973 /nfs/dbraw/zinc/54/39/73/649543973.db2.gz GEIACCZUHZYHKO-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000873080779 649553878 /nfs/dbraw/zinc/55/38/78/649553878.db2.gz SFYWDOVREARCDK-GIPWTMENSA-N 1 0 298.408 2.458 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873111557 649559546 /nfs/dbraw/zinc/55/95/46/649559546.db2.gz DBZWYGSOKIYOKB-NSHDSACASA-N 1 0 252.314 2.072 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000878415065 651090137 /nfs/dbraw/zinc/09/01/37/651090137.db2.gz VHTDHQXNQPETBW-CYBMUJFWSA-N 1 0 292.335 2.335 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322116 651285514 /nfs/dbraw/zinc/28/55/14/651285514.db2.gz QIWACLORZUXHNU-DFBGVHRSSA-N 1 0 294.351 2.128 20 5 CEBDRO COCC1([N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000880185247 651397306 /nfs/dbraw/zinc/39/73/06/651397306.db2.gz KBJTUUQXYJRILY-UHFFFAOYSA-N 1 0 280.324 2.301 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880296325 651418454 /nfs/dbraw/zinc/41/84/54/651418454.db2.gz ZQIGAVMFIJTPMO-NSHDSACASA-N 1 0 268.288 2.265 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])c1ccco1 ZINC000881751112 651873355 /nfs/dbraw/zinc/87/33/55/651873355.db2.gz CTDDLRYUNMXXIX-SNVBAGLBSA-N 1 0 294.286 2.437 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC12OCCO2 ZINC000883179087 652390766 /nfs/dbraw/zinc/39/07/66/652390766.db2.gz MTJHWNGAEHLWNC-CQSZACIVSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC12OCCO2 ZINC000883179086 652390992 /nfs/dbraw/zinc/39/09/92/652390992.db2.gz MTJHWNGAEHLWNC-AWEZNQCLSA-N 1 0 292.335 2.288 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883200302 652397856 /nfs/dbraw/zinc/39/78/56/652397856.db2.gz FYMKSIFIMCBTDS-KGLIPLIRSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000883360782 652443556 /nfs/dbraw/zinc/44/35/56/652443556.db2.gz KEEJUXZGOWPNQB-HZRUHFOJSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1F ZINC000133338519 652621425 /nfs/dbraw/zinc/62/14/25/652621425.db2.gz GBPGPEJYTBMXLD-GFCCVEGCSA-N 1 0 282.315 2.471 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000800153617 652665177 /nfs/dbraw/zinc/66/51/77/652665177.db2.gz SVKQWCDVSGYUTP-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000884069023 652693485 /nfs/dbraw/zinc/69/34/85/652693485.db2.gz OCZNJFGUPJQFSR-ZDUSSCGKSA-N 1 0 293.367 2.221 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884171355 652740265 /nfs/dbraw/zinc/74/02/65/652740265.db2.gz STTQMYKBARJVST-ZWNOBZJWSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000884438154 652850525 /nfs/dbraw/zinc/85/05/25/652850525.db2.gz VIJPSAOBVJTTLG-PWSUYJOCSA-N 1 0 291.351 2.082 20 5 CEBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000884856081 652974955 /nfs/dbraw/zinc/97/49/55/652974955.db2.gz ZKVHRURLOAHPJK-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001164640143 719184769 /nfs/dbraw/zinc/18/47/69/719184769.db2.gz UTRZOMCMHMWUJW-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc(Br)c(O[C@@H](C)C[N+](C)(C)C)nn1 ZINC001228318154 806187807 /nfs/dbraw/zinc/18/78/07/806187807.db2.gz URZZWAWEVVESPC-VIFPVBQESA-N 1 0 289.197 2.021 20 5 CEBDRO CC/C(C)=C\C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126752616 806521746 /nfs/dbraw/zinc/52/17/46/806521746.db2.gz RIWRPYDIEYGORZ-XFXZXTDPSA-N 1 0 291.351 2.157 20 5 CEBDRO CC[NH+]1CCC(Oc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001225770534 805278439 /nfs/dbraw/zinc/27/84/39/805278439.db2.gz XZJYJIQBYJIYGD-UHFFFAOYSA-N 1 0 280.324 2.467 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cnccc1Br ZINC001226071978 805483078 /nfs/dbraw/zinc/48/30/78/805483078.db2.gz KQTVGIMTQSWQQE-VIFPVBQESA-N 1 0 274.182 2.318 20 5 CEBDRO CCC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC001119315837 815089829 /nfs/dbraw/zinc/08/98/29/815089829.db2.gz VMYJGJWYUKQNHA-UHFFFAOYSA-N 1 0 297.380 2.308 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001171440783 815093364 /nfs/dbraw/zinc/09/33/64/815093364.db2.gz IEPFRTYRPLMPRY-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000698571517 807247663 /nfs/dbraw/zinc/24/76/63/807247663.db2.gz UTRWPPLDJWJVLA-PELKAZGASA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000714983935 807460019 /nfs/dbraw/zinc/46/00/19/807460019.db2.gz NDLVYCFNIGGAGI-UHFFFAOYSA-N 1 0 273.292 2.294 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232832496 807723953 /nfs/dbraw/zinc/72/39/53/807723953.db2.gz NXJDRCYREQMUNP-GFCCVEGCSA-N 1 0 293.323 2.017 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716814602 815150333 /nfs/dbraw/zinc/15/03/33/815150333.db2.gz MQMMLCWKZDDFCA-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000716828987 815152150 /nfs/dbraw/zinc/15/21/50/815152150.db2.gz KTQLLGXYKBQOOI-ONGXEEELSA-N 1 0 270.304 2.373 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC1 ZINC000131484800 808684531 /nfs/dbraw/zinc/68/45/31/808684531.db2.gz UFBLPMMPRZVEIT-SNVBAGLBSA-N 1 0 256.689 2.127 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOCC2CCC2)c1 ZINC001120561995 815237418 /nfs/dbraw/zinc/23/74/18/815237418.db2.gz UYZZATJQFWMCBM-HNNXBMFYSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700605881 809331358 /nfs/dbraw/zinc/33/13/58/809331358.db2.gz QSGIWSASBCAKRZ-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001120883792 815290210 /nfs/dbraw/zinc/29/02/10/815290210.db2.gz LULZSVIJAHEDQA-NWDGAFQWSA-N 1 0 292.339 2.037 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702044075 809490411 /nfs/dbraw/zinc/49/04/11/809490411.db2.gz BIXSJGPGNLEDDL-WPRPVWTQSA-N 1 0 297.742 2.105 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702044063 809490647 /nfs/dbraw/zinc/49/06/47/809490647.db2.gz BIXSJGPGNLEDDL-PSASIEDQSA-N 1 0 297.742 2.105 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000704527779 809736823 /nfs/dbraw/zinc/73/68/23/809736823.db2.gz HJQNUYQDOJCXKQ-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000707131729 809880181 /nfs/dbraw/zinc/88/01/81/809880181.db2.gz UOYRTDKMHFOEIM-CYBMUJFWSA-N 1 0 282.315 2.469 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711266234 810054506 /nfs/dbraw/zinc/05/45/06/810054506.db2.gz BMIUEASWRSNHPU-OCCSQVGLSA-N 1 0 275.308 2.066 20 5 CEBDRO Cc1nc(NC[C@H]2CCC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC001155021076 810922766 /nfs/dbraw/zinc/92/27/66/810922766.db2.gz UDLCNGJCSVRROV-ZYHUDNBSSA-N 1 0 278.356 2.346 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1c(Cl)nccc1[N+](=O)[O-] ZINC001168830136 811261804 /nfs/dbraw/zinc/26/18/04/811261804.db2.gz HRDIKCHVBCKOQI-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccncc3)CC2)C1 ZINC001168976217 811304969 /nfs/dbraw/zinc/30/49/69/811304969.db2.gz ZRJXGWUGFUYEGP-DGCLKSJQSA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C1 ZINC001168978441 811307058 /nfs/dbraw/zinc/30/70/58/811307058.db2.gz SEYTZYSMEDWCFK-ILXRZTDVSA-N 1 0 284.400 2.353 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC001168977753 811307509 /nfs/dbraw/zinc/30/75/09/811307509.db2.gz LPDKKPYDOGHLOB-TZMCWYRMSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC001168979560 811308675 /nfs/dbraw/zinc/30/86/75/811308675.db2.gz ZFDAJWGSJFKWIF-WZRBSPASSA-N 1 0 262.309 2.155 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982843 811309596 /nfs/dbraw/zinc/30/95/96/811309596.db2.gz JCWINVJROXVWBL-MISXGVKJSA-N 1 0 263.341 2.365 20 5 CEBDRO [NH3+]CCc1nc2ccccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966830 811318707 /nfs/dbraw/zinc/31/87/07/811318707.db2.gz LMDVZYPOKYCNKV-RYUDHWBXSA-N 1 0 288.351 2.155 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967478 811318717 /nfs/dbraw/zinc/31/87/17/811318717.db2.gz PWSCQMNZNZOVJS-GXFFZTMASA-N 1 0 280.299 2.043 20 5 CEBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970851 811320903 /nfs/dbraw/zinc/32/09/03/811320903.db2.gz IYSOECQQPDVUQO-UKRRQHHQSA-N 1 0 290.363 2.256 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C1 ZINC001168994614 811324835 /nfs/dbraw/zinc/32/48/35/811324835.db2.gz QKMJNTHILJAWBI-GOEBONIOSA-N 1 0 295.427 2.286 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCOCC2)C1 ZINC001168997724 811326897 /nfs/dbraw/zinc/32/68/97/811326897.db2.gz FFJZDIQPCLUBOB-KGLIPLIRSA-N 1 0 282.384 2.371 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001169005825 811330924 /nfs/dbraw/zinc/33/09/24/811330924.db2.gz UUIDKONDZPDWAF-NRUUGDAUSA-N 1 0 267.304 2.317 20 5 CEBDRO O=C(CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001169009079 811331546 /nfs/dbraw/zinc/33/15/46/811331546.db2.gz VBJQTIIUYILPJR-JSGCOSHPSA-N 1 0 291.351 2.080 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006678 811331964 /nfs/dbraw/zinc/33/19/64/811331964.db2.gz IXZJNEKQYGPAAM-SWLSCSKDSA-N 1 0 290.363 2.499 20 5 CEBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006918 811332990 /nfs/dbraw/zinc/33/29/90/811332990.db2.gz KFYJLXPFFUXVJF-NWDGAFQWSA-N 1 0 298.383 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001169010923 811333585 /nfs/dbraw/zinc/33/35/85/811333585.db2.gz GFCQNNDHCBHTLH-DBIOUOCHSA-N 1 0 260.284 2.019 20 5 CEBDRO [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990868 811339253 /nfs/dbraw/zinc/33/92/53/811339253.db2.gz FDJZSWQTODMKAA-HUUCEWRRSA-N 1 0 295.427 2.415 20 5 CEBDRO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035158 811346714 /nfs/dbraw/zinc/34/67/14/811346714.db2.gz ATUWXBCVUAYGJR-XJFOESAGSA-N 1 0 298.383 2.095 20 5 CEBDRO Cc1noc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039223 811349289 /nfs/dbraw/zinc/34/92/89/811349289.db2.gz OGGWSHFXRNFDQJ-YPMHNXCESA-N 1 0 294.355 2.003 20 5 CEBDRO CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169040995 811350951 /nfs/dbraw/zinc/35/09/51/811350951.db2.gz AHKGSHOCVNYBOX-TZMCWYRMSA-N 1 0 270.373 2.323 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001169040454 811351550 /nfs/dbraw/zinc/35/15/50/811351550.db2.gz ZWWHQUKDQMUKII-RBSFLKMASA-N 1 0 282.384 2.180 20 5 CEBDRO CC(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054295 811359530 /nfs/dbraw/zinc/35/95/30/811359530.db2.gz LLIVJFWEGPSBHL-UKRRQHHQSA-N 1 0 283.416 2.236 20 5 CEBDRO O=[N+]([O-])c1c[nH]c2nc(NCC[C@H]3CCC[NH2+]3)ccc12 ZINC001169558788 811566937 /nfs/dbraw/zinc/56/69/37/811566937.db2.gz SORWKZYASXONQJ-SECBINFHSA-N 1 0 275.312 2.025 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC001169722847 811644448 /nfs/dbraw/zinc/64/44/48/811644448.db2.gz GJZXYEMESQNXCS-UHFFFAOYSA-N 1 0 295.302 2.301 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1COC[C@@H]1F)CC2 ZINC001172908057 815540348 /nfs/dbraw/zinc/54/03/48/815540348.db2.gz WOMQCBRTCVAARS-VHDGCEQUSA-N 1 0 294.326 2.169 20 5 CEBDRO CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809730009 812737514 /nfs/dbraw/zinc/73/75/14/812737514.db2.gz WSSWZIAKWRJPDW-UHFFFAOYSA-N 1 0 271.748 2.242 20 5 CEBDRO CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007422 815565701 /nfs/dbraw/zinc/56/57/01/815565701.db2.gz OMWUFMDUBIQWDS-UHFFFAOYSA-N 1 0 285.294 2.451 20 5 CEBDRO CCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001133407090 813049794 /nfs/dbraw/zinc/04/97/94/813049794.db2.gz YMWXYOZPPLKIPQ-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO C[NH+]1CC(CNc2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001159218949 813302532 /nfs/dbraw/zinc/30/25/32/813302532.db2.gz UOXXCCSZRGPGJK-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO C[C@@H]([NH3+])CCNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170891447 813621400 /nfs/dbraw/zinc/62/14/00/813621400.db2.gz ZFTXXCTYWGDZDI-SECBINFHSA-N 1 0 260.297 2.292 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC001116202083 814839999 /nfs/dbraw/zinc/83/99/99/814839999.db2.gz DCKDFSQAJNKMRK-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO COCC[NH+](CCOC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223582 815627475 /nfs/dbraw/zinc/62/74/75/815627475.db2.gz BBNVFDHGAYEMRF-CYBMUJFWSA-N 1 0 296.367 2.121 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001173222675 815627966 /nfs/dbraw/zinc/62/79/66/815627966.db2.gz UGTZMLOOCHTBCQ-HUBLWGQQSA-N 1 0 278.352 2.371 20 5 CEBDRO Cc1nccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233023 815632613 /nfs/dbraw/zinc/63/26/13/815632613.db2.gz GQXAQFGIEZHTGC-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173235275 815634187 /nfs/dbraw/zinc/63/41/87/815634187.db2.gz RZSAEFRSOSDCKD-WDMOLILDSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001173210571 815635049 /nfs/dbraw/zinc/63/50/49/815635049.db2.gz LTHUZKHVUXPWJV-NJZAAPMLSA-N 1 0 278.352 2.419 20 5 CEBDRO Cc1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212088 815635375 /nfs/dbraw/zinc/63/53/75/815635375.db2.gz WPDMPXBRDCRRNT-GFCCVEGCSA-N 1 0 286.335 2.414 20 5 CEBDRO Cc1ccc(OCCO[C@H](C)C[N+](C)(C)C)cc1 ZINC001206631117 816849746 /nfs/dbraw/zinc/84/97/46/816849746.db2.gz NCXXOUWXGJZQLM-CQSZACIVSA-N 1 0 252.378 2.485 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000449064041 282085541 /nfs/dbraw/zinc/08/55/41/282085541.db2.gz SJSCNFLAISNANP-GFCCVEGCSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000449084571 282094023 /nfs/dbraw/zinc/09/40/23/282094023.db2.gz ICJAZXNMRJCRBX-LBPRGKRZSA-N 1 0 274.324 2.012 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)N(C)C ZINC000449088417 282095481 /nfs/dbraw/zinc/09/54/81/282095481.db2.gz IENCGVRCLISDOV-BLLLJJGKSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121317737 365551985 /nfs/dbraw/zinc/55/19/85/365551985.db2.gz GTTUUIKVFCHOKY-BXUZGUMPSA-N 1 0 278.352 2.276 20 5 CEBDRO CCN(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108159 282102972 /nfs/dbraw/zinc/10/29/72/282102972.db2.gz PXFFHIHSGGYFEH-LBPRGKRZSA-N 1 0 265.357 2.067 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000449137065 282114738 /nfs/dbraw/zinc/11/47/38/282114738.db2.gz DGDLITVZBAEJDV-LLVKDONJSA-N 1 0 264.325 2.152 20 5 CEBDRO COCCOCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000035015570 361804108 /nfs/dbraw/zinc/80/41/08/361804108.db2.gz LDIDWNBYNGCOKR-UHFFFAOYSA-N 1 0 282.340 2.046 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159128 282124651 /nfs/dbraw/zinc/12/46/51/282124651.db2.gz XSCNABHRLIUNPG-SNVBAGLBSA-N 1 0 274.324 2.347 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175275 282131739 /nfs/dbraw/zinc/13/17/39/282131739.db2.gz ODZYGMQLZOPQJB-OLZOCXBDSA-N 1 0 296.367 2.167 20 5 CEBDRO COc1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000601324959 346820967 /nfs/dbraw/zinc/82/09/67/346820967.db2.gz SJMMHPIPFOHUDE-CYBMUJFWSA-N 1 0 293.367 2.307 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125230157 187175543 /nfs/dbraw/zinc/17/55/43/187175543.db2.gz JWBRSHATNCCOIN-BXUZGUMPSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601326696 346821965 /nfs/dbraw/zinc/82/19/65/346821965.db2.gz GUEUMGNNSUMJSW-RWMBFGLXSA-N 1 0 275.352 2.400 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000601329210 346822116 /nfs/dbraw/zinc/82/21/16/346822116.db2.gz HHWCSKNOGNPZDM-AAEUAGOBSA-N 1 0 293.367 2.304 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000337865632 214291311 /nfs/dbraw/zinc/29/13/11/214291311.db2.gz OAVWJTKILZDWPM-UHFFFAOYSA-N 1 0 260.240 2.314 20 5 CEBDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037152093 361900373 /nfs/dbraw/zinc/90/03/73/361900373.db2.gz PPRODAVHKRRXPE-ZBOXLXRLSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000449276144 282168243 /nfs/dbraw/zinc/16/82/43/282168243.db2.gz AYRHJRTYDUKTGP-YRGRVCCFSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1O ZINC000449294873 282176300 /nfs/dbraw/zinc/17/63/00/282176300.db2.gz NVOLKEYILOQASN-LLVKDONJSA-N 1 0 287.319 2.416 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000125753701 187199073 /nfs/dbraw/zinc/19/90/73/187199073.db2.gz GFKMGYYRMHPSDR-JSGCOSHPSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)c1 ZINC000080607162 344016087 /nfs/dbraw/zinc/01/60/87/344016087.db2.gz NVIYHSUDEGXAQJ-SECBINFHSA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000080605530 344016392 /nfs/dbraw/zinc/01/63/92/344016392.db2.gz IEFADEQUZYIQOX-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879610 187203633 /nfs/dbraw/zinc/20/36/33/187203633.db2.gz WUHBMTIOERYVFK-YPMHNXCESA-N 1 0 291.351 2.256 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000269982002 190579732 /nfs/dbraw/zinc/57/97/32/190579732.db2.gz YCYDHAOQMJGPKN-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796210 299092585 /nfs/dbraw/zinc/09/25/85/299092585.db2.gz KRBPPGNNEILOFC-OCCSQVGLSA-N 1 0 292.335 2.214 20 5 CEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000567811066 299093640 /nfs/dbraw/zinc/09/36/40/299093640.db2.gz QPQUOUQOXGCXKH-UHFFFAOYSA-N 1 0 291.351 2.214 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000449479094 282253348 /nfs/dbraw/zinc/25/33/48/282253348.db2.gz UBQSTVNZXUBRKV-CQSZACIVSA-N 1 0 298.339 2.214 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000047701568 362222503 /nfs/dbraw/zinc/22/25/03/362222503.db2.gz SQWOBSLYSMGTDN-LLVKDONJSA-N 1 0 250.298 2.063 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127671957 365757734 /nfs/dbraw/zinc/75/77/34/365757734.db2.gz HPLWBABKBWRILJ-MDZDMXLPSA-N 1 0 291.351 2.242 20 5 CEBDRO O=[N+]([O-])c1cnccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049568932 343538245 /nfs/dbraw/zinc/53/82/45/343538245.db2.gz HJZNQTLABOPXQN-VXGBXAGGSA-N 1 0 262.313 2.029 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000052072486 343555204 /nfs/dbraw/zinc/55/52/04/343555204.db2.gz BWQCUSKCWQQYTD-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054373787 343589644 /nfs/dbraw/zinc/58/96/44/343589644.db2.gz OKTRMARTLNPJBF-NSHDSACASA-N 1 0 296.371 2.163 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000057838660 343638652 /nfs/dbraw/zinc/63/86/52/343638652.db2.gz BOYHQSJQXSCXTK-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000449589376 282294634 /nfs/dbraw/zinc/29/46/34/282294634.db2.gz JZDLKNZDDUOTNG-NXEZZACHSA-N 1 0 293.367 2.358 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000066137333 343707427 /nfs/dbraw/zinc/70/74/27/343707427.db2.gz OCFFVYWIXPRFEM-NSHDSACASA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)s1 ZINC000064029710 343686457 /nfs/dbraw/zinc/68/64/57/343686457.db2.gz DHNFNTKFNSNYSD-UHFFFAOYSA-N 1 0 267.354 2.188 20 5 CEBDRO Cc1c(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000602029229 346964236 /nfs/dbraw/zinc/96/42/36/346964236.db2.gz FVLVFUQWNGPBCC-NSHDSACASA-N 1 0 277.324 2.184 20 5 CEBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000072947664 343816595 /nfs/dbraw/zinc/81/65/95/343816595.db2.gz OAQVCDOHWKIUGV-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO Cc1c(CNC(=O)[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000602148592 346982011 /nfs/dbraw/zinc/98/20/11/346982011.db2.gz ODHPKJFPYFPKJQ-AWEZNQCLSA-N 1 0 291.351 2.004 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000602174778 346988314 /nfs/dbraw/zinc/98/83/14/346988314.db2.gz UEZTUMBRHVZQFW-QWHCGFSZSA-N 1 0 291.351 2.053 20 5 CEBDRO CCC1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859561 343869687 /nfs/dbraw/zinc/86/96/87/343869687.db2.gz KNXJCBFYXAXUEA-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636386 282313299 /nfs/dbraw/zinc/31/32/99/282313299.db2.gz DHQZMUKXEYSAGJ-WCQYABFASA-N 1 0 291.351 2.151 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083207458 344075890 /nfs/dbraw/zinc/07/58/90/344075890.db2.gz APIMCNIXBPVPHI-SNVBAGLBSA-N 1 0 291.307 2.204 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000091484258 344165494 /nfs/dbraw/zinc/16/54/94/344165494.db2.gz KFUFBJYJBYCKEP-AWEZNQCLSA-N 1 0 263.341 2.371 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000089940920 344132936 /nfs/dbraw/zinc/13/29/36/344132936.db2.gz PUXJAYLLJSKIIY-GJZGRUSLSA-N 1 0 276.336 2.256 20 5 CEBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000094158461 344234771 /nfs/dbraw/zinc/23/47/71/344234771.db2.gz CKMAWAXEOYYLEJ-UHFFFAOYSA-N 1 0 283.376 2.035 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C2=CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602468651 347044634 /nfs/dbraw/zinc/04/46/34/347044634.db2.gz XCXOXNCRNZCLRP-GWCFXTLKSA-N 1 0 289.335 2.128 20 5 CEBDRO CC(C)[NH2+]CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119861781 344297029 /nfs/dbraw/zinc/29/70/29/344297029.db2.gz ZIHOVEQBZBKHEY-UHFFFAOYSA-N 1 0 293.367 2.334 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000096848057 344242203 /nfs/dbraw/zinc/24/22/03/344242203.db2.gz DMVAMEPNBGDTLZ-MRXNPFEDSA-N 1 0 298.346 2.333 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000132856273 344365919 /nfs/dbraw/zinc/36/59/19/344365919.db2.gz OZGZDINYPGIPPD-MCIONIFRSA-N 1 0 262.309 2.047 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129267157 344342705 /nfs/dbraw/zinc/34/27/05/344342705.db2.gz OAZKUQNURXYUFL-SCZZXKLOSA-N 1 0 297.742 2.200 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000130439537 344352906 /nfs/dbraw/zinc/35/29/06/344352906.db2.gz NZOOACPHRWAWQT-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)(C)OCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122200952 344305447 /nfs/dbraw/zinc/30/54/47/344305447.db2.gz KWFHONFZJZCCAF-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284895 344306047 /nfs/dbraw/zinc/30/60/47/344306047.db2.gz YAQZHOSSXLACAI-AAEUAGOBSA-N 1 0 263.341 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC2)c(Cl)c1 ZINC000049963517 362388376 /nfs/dbraw/zinc/38/83/76/362388376.db2.gz NBVJCHRNXNLUIP-SECBINFHSA-N 1 0 270.716 2.374 20 5 CEBDRO COc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000164984110 344473251 /nfs/dbraw/zinc/47/32/51/344473251.db2.gz QGEMYAJAPXHNJT-VIFPVBQESA-N 1 0 290.279 2.078 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)s1 ZINC000225424016 344545296 /nfs/dbraw/zinc/54/52/96/344545296.db2.gz ZYKDIRBNKHTASL-LURJTMIESA-N 1 0 266.282 2.131 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236732468 344597191 /nfs/dbraw/zinc/59/71/91/344597191.db2.gz PFTFXASFRBHCQV-WCQYABFASA-N 1 0 293.367 2.454 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000050394801 362417948 /nfs/dbraw/zinc/41/79/48/362417948.db2.gz PHBYFOBFFKJCJJ-KGLIPLIRSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000277318900 344671490 /nfs/dbraw/zinc/67/14/90/344671490.db2.gz DHHSJFXAZFMQLQ-SWLSCSKDSA-N 1 0 294.351 2.378 20 5 CEBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280673276 344674950 /nfs/dbraw/zinc/67/49/50/344674950.db2.gz GCQUGTNTBPCVSO-JTNHKYCSSA-N 1 0 292.335 2.397 20 5 CEBDRO CN(C)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281481841 344675814 /nfs/dbraw/zinc/67/58/14/344675814.db2.gz SLIXSSHFSQIOON-UHFFFAOYSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602515991 347063516 /nfs/dbraw/zinc/06/35/16/347063516.db2.gz FSFYKAXZFJIAAV-YPMHNXCESA-N 1 0 291.351 2.132 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514597 347063887 /nfs/dbraw/zinc/06/38/87/347063887.db2.gz LGSGEMYPDBLKSF-DTWKUNHWSA-N 1 0 261.281 2.482 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252010753 344638637 /nfs/dbraw/zinc/63/86/37/344638637.db2.gz SAYWWHBNDOMNFE-SMDDNHRTSA-N 1 0 294.351 2.065 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000311085587 344732629 /nfs/dbraw/zinc/73/26/29/344732629.db2.gz OQXWIXXYQWXBAG-JTQLQIEISA-N 1 0 252.318 2.130 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000602542905 347070932 /nfs/dbraw/zinc/07/09/32/347070932.db2.gz APHLKSMMKNCJPS-QWHCGFSZSA-N 1 0 291.351 2.028 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555447 347075273 /nfs/dbraw/zinc/07/52/73/347075273.db2.gz QZUUVXFHBRXTAQ-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000054364684 362532637 /nfs/dbraw/zinc/53/26/37/362532637.db2.gz BWRZRISJPWISBX-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351624635 219153159 /nfs/dbraw/zinc/15/31/59/219153159.db2.gz YULDUDQBMGKHIG-UHFFFAOYSA-N 1 0 298.318 2.244 20 5 CEBDRO C[C@H](CO)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757630 345174673 /nfs/dbraw/zinc/17/46/73/345174673.db2.gz WIQLEMOXBVMGRH-GXTWGEPZSA-N 1 0 278.352 2.403 20 5 CEBDRO C[C@@H](CO)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757633 345175001 /nfs/dbraw/zinc/17/50/01/345175001.db2.gz WIQLEMOXBVMGRH-TZMCWYRMSA-N 1 0 278.352 2.403 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590761758 345176767 /nfs/dbraw/zinc/17/67/67/345176767.db2.gz WYTUVUMZGFEURG-AWEZNQCLSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591271683 345236905 /nfs/dbraw/zinc/23/69/05/345236905.db2.gz QVLPEDNXPDLNMV-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591271684 345236909 /nfs/dbraw/zinc/23/69/09/345236909.db2.gz QVLPEDNXPDLNMV-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140088 345223523 /nfs/dbraw/zinc/22/35/23/345223523.db2.gz KVFBVUIOAMJBFG-SECBINFHSA-N 1 0 268.292 2.024 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2C=CCCC2)c1 ZINC000591752092 345277084 /nfs/dbraw/zinc/27/70/84/345277084.db2.gz UNBZJBPUABSIEK-JSGCOSHPSA-N 1 0 292.335 2.033 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592329188 345343027 /nfs/dbraw/zinc/34/30/27/345343027.db2.gz OTUOLPCLDKNLOF-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592432854 345352502 /nfs/dbraw/zinc/35/25/02/345352502.db2.gz ZBWIJIDFUOCRQB-SLUZZZFTSA-N 1 0 287.363 2.292 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592437175 345353450 /nfs/dbraw/zinc/35/34/50/345353450.db2.gz BHSVFUNTPFNTAR-DTWKUNHWSA-N 1 0 271.748 2.464 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000592437176 345353652 /nfs/dbraw/zinc/35/36/52/345353652.db2.gz BHSVFUNTPFNTAR-IUCAKERBSA-N 1 0 271.748 2.464 20 5 CEBDRO C[C@H](CO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593082182 345435486 /nfs/dbraw/zinc/43/54/86/345435486.db2.gz GYCQGQVHCSNSDH-CYBMUJFWSA-N 1 0 292.379 2.478 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593110276 345441361 /nfs/dbraw/zinc/44/13/61/345441361.db2.gz SXENAPQWGOWRFW-SNVBAGLBSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CCC1 ZINC000097934167 232189296 /nfs/dbraw/zinc/18/92/96/232189296.db2.gz FXERVQYJMFVFJR-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[NH+](C)C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000097934291 232189770 /nfs/dbraw/zinc/18/97/70/232189770.db2.gz MTFDWYJZCJJSFT-UHFFFAOYSA-N 1 0 289.339 2.367 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593188223 345450899 /nfs/dbraw/zinc/45/08/99/345450899.db2.gz ZALQNFVSFXXXKM-IJLUTSLNSA-N 1 0 291.351 2.148 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593188146 345451064 /nfs/dbraw/zinc/45/10/64/345451064.db2.gz WNYUDZQCICGYJW-IJLUTSLNSA-N 1 0 291.351 2.148 20 5 CEBDRO Cc1nc(NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593479515 345494109 /nfs/dbraw/zinc/49/41/09/345494109.db2.gz FMVTWXFNINRASU-UHFFFAOYSA-N 1 0 280.372 2.110 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000593688127 345521717 /nfs/dbraw/zinc/52/17/17/345521717.db2.gz WJUPPKQHGRTOSP-AAEUAGOBSA-N 1 0 284.331 2.226 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593901172 345550308 /nfs/dbraw/zinc/55/03/08/345550308.db2.gz ADJAHPXQTZHZJJ-NWDGAFQWSA-N 1 0 291.351 2.162 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594064175 345576914 /nfs/dbraw/zinc/57/69/14/345576914.db2.gz LCLXROZGLVYLPE-LLVKDONJSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594424349 345625021 /nfs/dbraw/zinc/62/50/21/345625021.db2.gz BFSFPMAXYBPCJK-XHDPSFHLSA-N 1 0 289.335 2.231 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640124 345664426 /nfs/dbraw/zinc/66/44/26/345664426.db2.gz ICCDLVYTMHYSRG-GFCCVEGCSA-N 1 0 275.312 2.221 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000595074062 345740203 /nfs/dbraw/zinc/74/02/03/345740203.db2.gz VGWGNCIRELKTCM-WYGGZMRJSA-N 1 0 280.324 2.193 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595107650 345743330 /nfs/dbraw/zinc/74/33/30/345743330.db2.gz PBYZMXAVTYDQKA-BIMULSAOSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595237196 345746805 /nfs/dbraw/zinc/74/68/05/345746805.db2.gz VJVQPEBCHCGZIP-UHFFFAOYSA-N 1 0 294.355 2.413 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000595293667 345756203 /nfs/dbraw/zinc/75/62/03/345756203.db2.gz RWCCNLLUBSSOKI-UHFFFAOYSA-N 1 0 293.342 2.262 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000594926873 345705126 /nfs/dbraw/zinc/70/51/26/345705126.db2.gz XBJIJRCUAQXISA-NEPJUHHUSA-N 1 0 250.298 2.252 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000594938696 345710022 /nfs/dbraw/zinc/71/00/22/345710022.db2.gz OKCYIYBYTFYOEV-RAIGVLPGSA-N 1 0 292.335 2.190 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594970229 345719720 /nfs/dbraw/zinc/71/97/20/345719720.db2.gz VVHOYLNMFLBOLQ-HAQNSBGRSA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000594981873 345721402 /nfs/dbraw/zinc/72/14/02/345721402.db2.gz BKEFVLCBPQLXSB-ZDUSSCGKSA-N 1 0 264.325 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000594987443 345722067 /nfs/dbraw/zinc/72/20/67/345722067.db2.gz KMQLWZHEADCTRM-KBPBESRZSA-N 1 0 276.336 2.296 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995981 345723370 /nfs/dbraw/zinc/72/33/70/345723370.db2.gz PMBUBLOWHSDNJZ-UMGRQFOVSA-N 1 0 262.309 2.375 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1ccnc1 ZINC000595005130 345724749 /nfs/dbraw/zinc/72/47/49/345724749.db2.gz YAMIBCHWQZRJBZ-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000595017471 345728342 /nfs/dbraw/zinc/72/83/42/345728342.db2.gz VKIQCCRQIOQISM-ZDUSSCGKSA-N 1 0 272.308 2.416 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045876 345734222 /nfs/dbraw/zinc/73/42/22/345734222.db2.gz UVFJZUGWBFJZHN-GXSJLCMTSA-N 1 0 268.313 2.025 20 5 CEBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000595546962 345809399 /nfs/dbraw/zinc/80/93/99/345809399.db2.gz QOFKTDOHSYVTFT-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000595546961 345809497 /nfs/dbraw/zinc/80/94/97/345809497.db2.gz QOFKTDOHSYVTFT-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000595319015 345761266 /nfs/dbraw/zinc/76/12/66/345761266.db2.gz XZNVOQMXBYFJHX-JTQLQIEISA-N 1 0 277.280 2.474 20 5 CEBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595405170 345775544 /nfs/dbraw/zinc/77/55/44/345775544.db2.gz UXLZSXOFPBHCLH-IUCAKERBSA-N 1 0 253.302 2.369 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424186 345778252 /nfs/dbraw/zinc/77/82/52/345778252.db2.gz OVCCQRZSFSAPHO-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO COC[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000595509544 345799023 /nfs/dbraw/zinc/79/90/23/345799023.db2.gz HGUZVZWLRKSPGJ-NSHDSACASA-N 1 0 282.340 2.081 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595529953 345804313 /nfs/dbraw/zinc/80/43/13/345804313.db2.gz LGJAEXJFFVIRPI-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595905520 345911106 /nfs/dbraw/zinc/91/11/06/345911106.db2.gz DKWVIBFXPAEIOU-GHMZBOCLSA-N 1 0 287.722 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596119642 345943900 /nfs/dbraw/zinc/94/39/00/345943900.db2.gz MTGKNNLXRHFQCO-AWEZNQCLSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])s1 ZINC000596267130 345985932 /nfs/dbraw/zinc/98/59/32/345985932.db2.gz WVSIHNIDNIEAIL-PHIMTYICSA-N 1 0 297.380 2.240 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000596308678 345995818 /nfs/dbraw/zinc/99/58/18/345995818.db2.gz KIBIVPALYPLXMO-VIFPVBQESA-N 1 0 282.319 2.414 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596482460 346035186 /nfs/dbraw/zinc/03/51/86/346035186.db2.gz SQTNVEWOMBWGHT-LBPRGKRZSA-N 1 0 292.339 2.201 20 5 CEBDRO CC(C)[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000596501831 346040418 /nfs/dbraw/zinc/04/04/18/346040418.db2.gz QGLJAAAYTRKEGL-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652854 346071967 /nfs/dbraw/zinc/07/19/67/346071967.db2.gz JISAOLUXKDKUTG-BXUZGUMPSA-N 1 0 277.368 2.113 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652858 346072040 /nfs/dbraw/zinc/07/20/40/346072040.db2.gz JISAOLUXKDKUTG-SMDDNHRTSA-N 1 0 277.368 2.113 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597047904 346120061 /nfs/dbraw/zinc/12/00/61/346120061.db2.gz RXMWQVVWTWJIRA-OCCSQVGLSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597047276 346120134 /nfs/dbraw/zinc/12/01/34/346120134.db2.gz PWUCLEQAWXCITA-TZMCWYRMSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597052421 346120740 /nfs/dbraw/zinc/12/07/40/346120740.db2.gz BTWCEEVRFCUNPO-WFASDCNBSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597075991 346123991 /nfs/dbraw/zinc/12/39/91/346123991.db2.gz NSQILFAHHGZTLS-OCCSQVGLSA-N 1 0 262.309 2.252 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000336788123 365808389 /nfs/dbraw/zinc/80/83/89/365808389.db2.gz OAHDFVPEXNFIGX-SECBINFHSA-N 1 0 253.277 2.240 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000597665387 346212473 /nfs/dbraw/zinc/21/24/73/346212473.db2.gz HLFSXLFXNFARNL-NSHDSACASA-N 1 0 277.324 2.102 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597856841 346238644 /nfs/dbraw/zinc/23/86/44/346238644.db2.gz BCZVEJXJYSGRKL-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042598 346273975 /nfs/dbraw/zinc/27/39/75/346273975.db2.gz QLDDBDDXLQEUSK-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCCC1 ZINC000062075389 362704998 /nfs/dbraw/zinc/70/49/98/362704998.db2.gz XFELWTMUWNYUAN-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598684390 346400435 /nfs/dbraw/zinc/40/04/35/346400435.db2.gz WMCQKMNGQONLKA-XUJVJEKNSA-N 1 0 275.352 2.469 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913240 346433389 /nfs/dbraw/zinc/43/33/89/346433389.db2.gz GEGZTYXGHOTPGP-LLVKDONJSA-N 1 0 298.318 2.229 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914113 346433391 /nfs/dbraw/zinc/43/33/91/346433391.db2.gz YVCYCTBVFBSXAM-ZYHUDNBSSA-N 1 0 296.302 2.125 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599084828 346457924 /nfs/dbraw/zinc/45/79/24/346457924.db2.gz YYCSIDQQFBVWDX-FICVDOATSA-N 1 0 298.346 2.139 20 5 CEBDRO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)[NH2+]1 ZINC000599110305 346461269 /nfs/dbraw/zinc/46/12/69/346461269.db2.gz PPECCMCPUQJEIQ-PHIMTYICSA-N 1 0 290.367 2.055 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599141149 346466599 /nfs/dbraw/zinc/46/65/99/346466599.db2.gz ZSZKBOCRNUZYMG-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(C(=O)NC2(C[NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000602600082 347094664 /nfs/dbraw/zinc/09/46/64/347094664.db2.gz HONVPOWLRFFDOI-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO [NH3+]CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000602600689 347095078 /nfs/dbraw/zinc/09/50/78/347095078.db2.gz HRKVJYCJWMPJBJ-UHFFFAOYSA-N 1 0 283.353 2.048 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336794045 365816691 /nfs/dbraw/zinc/81/66/91/365816691.db2.gz ZKPVJRNPDBZQEL-MRVPVSSYSA-N 1 0 255.293 2.310 20 5 CEBDRO Cc1noc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000599593910 346542957 /nfs/dbraw/zinc/54/29/57/346542957.db2.gz GUVJMGRHZIHONP-AWEZNQCLSA-N 1 0 297.355 2.312 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599593964 346544156 /nfs/dbraw/zinc/54/41/56/346544156.db2.gz IDLLYEQFDPQETQ-MWLCHTKSSA-N 1 0 292.339 2.165 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599601792 346544784 /nfs/dbraw/zinc/54/47/84/346544784.db2.gz ZVVPQDSTLYSOBP-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO COCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000117873352 136583259 /nfs/dbraw/zinc/58/32/59/136583259.db2.gz PKYIDNSPXHLAQC-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236893132 370647970 /nfs/dbraw/zinc/64/79/70/370647970.db2.gz VYKGSZIZHPFMFV-GFCCVEGCSA-N 1 0 299.758 2.334 20 5 CEBDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000600714117 346676734 /nfs/dbraw/zinc/67/67/34/346676734.db2.gz PJKKQXCVXNQZSC-AWEZNQCLSA-N 1 0 281.331 2.164 20 5 CEBDRO C[C@H](CNc1ccnc2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000601168442 346775509 /nfs/dbraw/zinc/77/55/09/346775509.db2.gz XDQXYRYRLBSDBR-LLVKDONJSA-N 1 0 288.351 2.175 20 5 CEBDRO C[C@@H]1[C@H](O)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170830 346776159 /nfs/dbraw/zinc/77/61/59/346776159.db2.gz DEIRXXSXQAUTEH-YMTOWFKASA-N 1 0 273.292 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(NC3CCOCC3)c2c1 ZINC000601105841 346754050 /nfs/dbraw/zinc/75/40/50/346754050.db2.gz OFTFJBNJZDQVRA-UHFFFAOYSA-N 1 0 273.292 2.156 20 5 CEBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616202 347104371 /nfs/dbraw/zinc/10/43/71/347104371.db2.gz ILHSBKRBAGPBHO-VXGBXAGGSA-N 1 0 296.371 2.010 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629517 347112257 /nfs/dbraw/zinc/11/22/57/347112257.db2.gz KSANFPRTYXRWND-DTWKUNHWSA-N 1 0 279.296 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000602639620 347118354 /nfs/dbraw/zinc/11/83/54/347118354.db2.gz XCAYXJIBBRJJQV-CQSZACIVSA-N 1 0 278.352 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCF)CC2)cn1 ZINC000602678690 347140001 /nfs/dbraw/zinc/14/00/01/347140001.db2.gz XJFVEDGFTUZZIZ-UHFFFAOYSA-N 1 0 296.346 2.298 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602666800 347132333 /nfs/dbraw/zinc/13/23/33/347132333.db2.gz KSANFPRTYXRWND-BDAKNGLRSA-N 1 0 279.296 2.249 20 5 CEBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814696 347210889 /nfs/dbraw/zinc/21/08/89/347210889.db2.gz NCQXTDZLRVZOQG-CMPLNLGQSA-N 1 0 266.345 2.339 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602751650 347185323 /nfs/dbraw/zinc/18/53/23/347185323.db2.gz KJZVZTXEBXYYKP-OAHLLOKOSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@H]1OCC[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602830992 347216290 /nfs/dbraw/zinc/21/62/90/347216290.db2.gz NOJIILJZTRIMPE-OCCSQVGLSA-N 1 0 278.352 2.494 20 5 CEBDRO CSC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602839382 347220197 /nfs/dbraw/zinc/22/01/97/347220197.db2.gz ILYGMNOHTJSKMD-LBPRGKRZSA-N 1 0 298.412 2.175 20 5 CEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])n1 ZINC000602916967 347246309 /nfs/dbraw/zinc/24/63/09/347246309.db2.gz JLTUAHRWZJICDK-AAEUAGOBSA-N 1 0 264.329 2.093 20 5 CEBDRO COC(C)(C)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963473 347258622 /nfs/dbraw/zinc/25/86/22/347258622.db2.gz WDBRFNIMTZCONX-HNNXBMFYSA-N 1 0 296.367 2.207 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206308 347308840 /nfs/dbraw/zinc/30/88/40/347308840.db2.gz QKOYTWMPIKWMEZ-VIFPVBQESA-N 1 0 281.341 2.096 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223301 347314098 /nfs/dbraw/zinc/31/40/98/347314098.db2.gz IFMDCNAXVSWSOP-NSHDSACASA-N 1 0 293.302 2.174 20 5 CEBDRO CCOc1cc(NC[C@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418603 347365186 /nfs/dbraw/zinc/36/51/86/347365186.db2.gz HIYYYCLTQIJNLB-NSHDSACASA-N 1 0 297.380 2.110 20 5 CEBDRO Cc1cc(N2C[C@H]3C[C@@]3(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000603425621 347367677 /nfs/dbraw/zinc/36/76/77/347367677.db2.gz WMDPLDNHNVOLAF-MEBBXXQBSA-N 1 0 285.303 2.022 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000609317096 347634085 /nfs/dbraw/zinc/63/40/85/347634085.db2.gz KLVKESIHOPFHSM-UHFFFAOYSA-N 1 0 266.341 2.435 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609508230 347641583 /nfs/dbraw/zinc/64/15/83/347641583.db2.gz GFZRAJAJPRLLCO-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO C[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610447584 347682100 /nfs/dbraw/zinc/68/21/00/347682100.db2.gz KAOKEQJZVBGGOV-SNVBAGLBSA-N 1 0 254.334 2.158 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538830 347690325 /nfs/dbraw/zinc/69/03/25/347690325.db2.gz GUOZHSFWUYTPHZ-OLZOCXBDSA-N 1 0 294.351 2.299 20 5 CEBDRO CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611370863 347770683 /nfs/dbraw/zinc/77/06/83/347770683.db2.gz ZUQQJHQGQDERJA-NXEZZACHSA-N 1 0 287.410 2.138 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610990911 347728480 /nfs/dbraw/zinc/72/84/80/347728480.db2.gz UOKXSYZRTKXVLX-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611498151 347786441 /nfs/dbraw/zinc/78/64/41/347786441.db2.gz UGKAGLRDADOYMK-UHFFFAOYSA-N 1 0 254.261 2.003 20 5 CEBDRO COc1cc(C[N@H+](CCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000611515733 347789036 /nfs/dbraw/zinc/78/90/36/347789036.db2.gz MBTVDWHBMPNUMF-UHFFFAOYSA-N 1 0 296.367 2.444 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580245 347903723 /nfs/dbraw/zinc/90/37/23/347903723.db2.gz DOQPMKVZSGYKDV-GFCCVEGCSA-N 1 0 252.314 2.418 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000086626208 179313018 /nfs/dbraw/zinc/31/30/18/179313018.db2.gz QITRGSHJTXFMFI-GXSJLCMTSA-N 1 0 252.314 2.182 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000336924745 365952666 /nfs/dbraw/zinc/95/26/66/365952666.db2.gz KGDFNPPELVMVFI-SECBINFHSA-N 1 0 284.385 2.006 20 5 CEBDRO COC1CC[NH+](CCNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000614977348 348262249 /nfs/dbraw/zinc/26/22/49/348262249.db2.gz ULJMCZCGHKMLJF-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO CCC(O)(CC)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000087028281 179381639 /nfs/dbraw/zinc/38/16/39/179381639.db2.gz JLOATIMQHKCHKW-UHFFFAOYSA-N 1 0 266.341 2.278 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000351943329 219257539 /nfs/dbraw/zinc/25/75/39/219257539.db2.gz GBPPCIBVZZVIGU-CHWSQXEVSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCC(C)CC1 ZINC000067273458 362905123 /nfs/dbraw/zinc/90/51/23/362905123.db2.gz RVAHVCFVVRDSBO-LLVKDONJSA-N 1 0 295.339 2.038 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357388358 233060934 /nfs/dbraw/zinc/06/09/34/233060934.db2.gz INLBGAUYWZOBNU-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO CCC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847939 180044130 /nfs/dbraw/zinc/04/41/30/180044130.db2.gz XHZBROFGIDSXBJ-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412084758 233334871 /nfs/dbraw/zinc/33/48/71/233334871.db2.gz QSZAVSSMKGJAJB-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339710140 215309324 /nfs/dbraw/zinc/30/93/24/215309324.db2.gz FZGNHHPEGIDVFP-QWRGUYRKSA-N 1 0 278.356 2.339 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](C)O ZINC000352209861 219362941 /nfs/dbraw/zinc/36/29/41/219362941.db2.gz DAAKCONTFHVLLC-JTQLQIEISA-N 1 0 252.314 2.106 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130603953 365972158 /nfs/dbraw/zinc/97/21/58/365972158.db2.gz FSNINXXFAMWYDM-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO COc1cc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052071 186348201 /nfs/dbraw/zinc/34/82/01/186348201.db2.gz QXXAANFTKGNMLQ-LLVKDONJSA-N 1 0 279.340 2.405 20 5 CEBDRO CC[C@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111255067 186379026 /nfs/dbraw/zinc/37/90/26/186379026.db2.gz ZDEZIZHVVVYTQP-JSGCOSHPSA-N 1 0 296.367 2.312 20 5 CEBDRO CN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000070160761 363039690 /nfs/dbraw/zinc/03/96/90/363039690.db2.gz UBWBDTHLWLRWEW-UHFFFAOYSA-N 1 0 271.748 2.242 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070172823 363046259 /nfs/dbraw/zinc/04/62/59/363046259.db2.gz YZNGLFBIQAWBIZ-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231866 363058911 /nfs/dbraw/zinc/05/89/11/363058911.db2.gz CMKNMRRWTWXRDO-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291602163 198046797 /nfs/dbraw/zinc/04/67/97/198046797.db2.gz BXJHUGNNBZXCAH-HNNXBMFYSA-N 1 0 286.335 2.281 20 5 CEBDRO Cc1c(C[NH+]2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000122050908 187011946 /nfs/dbraw/zinc/01/19/46/187011946.db2.gz VBRGHFCOAGDWHL-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000123165315 187075035 /nfs/dbraw/zinc/07/50/35/187075035.db2.gz NIIPDWGTRUWYEX-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cs1 ZINC000271447248 191143197 /nfs/dbraw/zinc/14/31/97/191143197.db2.gz RFVZWKJTFLAYAS-NSHDSACASA-N 1 0 298.364 2.432 20 5 CEBDRO CCC1(C)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000291874327 198092122 /nfs/dbraw/zinc/09/21/22/198092122.db2.gz LEGJLXBDSPLLBS-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122656948 187044356 /nfs/dbraw/zinc/04/43/56/187044356.db2.gz WWSUHCHUPPZPJT-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000122656500 187044359 /nfs/dbraw/zinc/04/43/59/187044359.db2.gz WWSUHCHUPPZPJT-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291904481 198101611 /nfs/dbraw/zinc/10/16/11/198101611.db2.gz QCUXEZMEKLTFDI-QMMMGPOBSA-N 1 0 272.736 2.253 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291936141 198110016 /nfs/dbraw/zinc/11/00/16/198110016.db2.gz TVXHLJYDMHBMID-GJZGRUSLSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000132747307 187645446 /nfs/dbraw/zinc/64/54/46/187645446.db2.gz OUEYHHJLQQMHLC-PELKAZGASA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C ZINC000072874534 363176347 /nfs/dbraw/zinc/17/63/47/363176347.db2.gz QIUWFJUXQSGHPW-MNOVXSKESA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494206628 290961089 /nfs/dbraw/zinc/96/10/89/290961089.db2.gz YIFPJYOILWMDDN-RISCZKNCSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000271607235 191238259 /nfs/dbraw/zinc/23/82/59/191238259.db2.gz AKYRCXONUVVUFE-SNVBAGLBSA-N 1 0 252.314 2.406 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000292153518 198183116 /nfs/dbraw/zinc/18/31/16/198183116.db2.gz NSPBWSPCJCEPIP-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000153756798 188101607 /nfs/dbraw/zinc/10/16/07/188101607.db2.gz VKQRZIFXZUZXEK-CYBMUJFWSA-N 1 0 252.314 2.359 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000155431636 188205746 /nfs/dbraw/zinc/20/57/46/188205746.db2.gz FQAOHORQGIQTBX-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155951973 188236894 /nfs/dbraw/zinc/23/68/94/188236894.db2.gz XGORXRQILBRJAW-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451102284 282892759 /nfs/dbraw/zinc/89/27/59/282892759.db2.gz CDJUQLNMQFBCKG-NSHDSACASA-N 1 0 291.351 2.162 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000157576453 188325760 /nfs/dbraw/zinc/32/57/60/188325760.db2.gz DZQNCJMABMIFQE-UHFFFAOYSA-N 1 0 280.353 2.375 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CCO)CC1 ZINC000495161947 291020603 /nfs/dbraw/zinc/02/06/03/291020603.db2.gz ZKVWHESRRZEFTG-HYXAFXHYSA-N 1 0 276.336 2.360 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000133261906 366209002 /nfs/dbraw/zinc/20/90/02/366209002.db2.gz JNQWGLZMAZRHEP-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451544153 283028241 /nfs/dbraw/zinc/02/82/41/283028241.db2.gz MJAYNHFWZPOTKO-WFASDCNBSA-N 1 0 294.351 2.330 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000338172165 366219776 /nfs/dbraw/zinc/21/97/76/366219776.db2.gz HNHLRERGFSTNOI-ZDUSSCGKSA-N 1 0 294.351 2.223 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074744564 363381413 /nfs/dbraw/zinc/38/14/13/363381413.db2.gz UXARAHKNNHJFGU-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO COc1cc(C[NH2+][C@H]2COCC2(C)C)c([N+](=O)[O-])cc1F ZINC000451813604 283114158 /nfs/dbraw/zinc/11/41/58/283114158.db2.gz RHTGNLYGYRFFSZ-ZDUSSCGKSA-N 1 0 298.314 2.257 20 5 CEBDRO COC[C@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000570129196 299239977 /nfs/dbraw/zinc/23/99/77/299239977.db2.gz XLXHLMWHEOFRQM-GFCCVEGCSA-N 1 0 266.341 2.352 20 5 CEBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273609743 192228705 /nfs/dbraw/zinc/22/87/05/192228705.db2.gz LMTQCMWMIXNVMU-UHFFFAOYSA-N 1 0 293.371 2.086 20 5 CEBDRO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133755376 366252215 /nfs/dbraw/zinc/25/22/15/366252215.db2.gz WXEUTCYIVHIAON-OCCSQVGLSA-N 1 0 290.367 2.219 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000133775261 366253647 /nfs/dbraw/zinc/25/36/47/366253647.db2.gz QIIAPDKODYYQCL-JTQLQIEISA-N 1 0 277.324 2.252 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134081224 366284813 /nfs/dbraw/zinc/28/48/13/366284813.db2.gz KMQFZTHMUIJHDM-YPMHNXCESA-N 1 0 291.351 2.223 20 5 CEBDRO COCCOC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000075950230 363500283 /nfs/dbraw/zinc/50/02/83/363500283.db2.gz HUKLUHXVSGTSMG-CQSZACIVSA-N 1 0 294.351 2.080 20 5 CEBDRO CC[NH+](CC)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134900832 366370983 /nfs/dbraw/zinc/37/09/83/366370983.db2.gz PAAFDDVPYMQXQD-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000079135119 363581823 /nfs/dbraw/zinc/58/18/23/363581823.db2.gz FDSVGRDGDSWNIN-UHFFFAOYSA-N 1 0 299.396 2.426 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294790046 199183305 /nfs/dbraw/zinc/18/33/05/199183305.db2.gz OHCZZNHGTSFSKR-ITDIGPHOSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577953643 366420898 /nfs/dbraw/zinc/42/08/98/366420898.db2.gz FESXSBQNOKFZLT-DTWKUNHWSA-N 1 0 291.307 2.197 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463815 366441882 /nfs/dbraw/zinc/44/18/82/366441882.db2.gz XLUMKJAYPFXKFP-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294931802 199256525 /nfs/dbraw/zinc/25/65/25/199256525.db2.gz BRDUYUNNGGPLNL-ZPSXMKBBSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415502168 236676190 /nfs/dbraw/zinc/67/61/90/236676190.db2.gz NCYPUAQVIBMZON-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150615 299285285 /nfs/dbraw/zinc/28/52/85/299285285.db2.gz CRJFBAMCXZNDGM-APBUJDDRSA-N 1 0 282.365 2.157 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC000341585045 216022071 /nfs/dbraw/zinc/02/20/71/216022071.db2.gz KRJOPXAVIKQSRV-SECBINFHSA-N 1 0 290.275 2.104 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000341701824 216071828 /nfs/dbraw/zinc/07/18/28/216071828.db2.gz PMUCIGFNUWKPOC-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000578983282 366574458 /nfs/dbraw/zinc/57/44/58/366574458.db2.gz YDDPPEABPMKIEI-YGRLFVJLSA-N 1 0 286.335 2.317 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCc2cccc(Cl)c2)c1 ZINC000297643875 200250729 /nfs/dbraw/zinc/25/07/29/200250729.db2.gz MVSASBKRJZSYEU-UHFFFAOYSA-N 1 0 294.742 2.277 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000081015748 363696964 /nfs/dbraw/zinc/69/69/64/363696964.db2.gz HXIDJKDDVGUEML-RISCZKNCSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C)CC1 ZINC000297998466 200315465 /nfs/dbraw/zinc/31/54/65/200315465.db2.gz XPMRNVDBRRUYOI-GFCCVEGCSA-N 1 0 263.341 2.293 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000571289141 299302742 /nfs/dbraw/zinc/30/27/42/299302742.db2.gz REFBYJPEYRZJAJ-UHFFFAOYSA-N 1 0 278.308 2.089 20 5 CEBDRO C[C@H](CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151720387 366659825 /nfs/dbraw/zinc/65/98/25/366659825.db2.gz NXXKFTFBHMZUHP-FZMZJTMJSA-N 1 0 278.352 2.134 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453301613 283523358 /nfs/dbraw/zinc/52/33/58/283523358.db2.gz XQOAUXHXGJWHMP-NJZAAPMLSA-N 1 0 294.351 2.297 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000177592926 189059032 /nfs/dbraw/zinc/05/90/32/189059032.db2.gz LRRILXQFPCGDJC-GXTWGEPZSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000177990645 189083600 /nfs/dbraw/zinc/08/36/00/189083600.db2.gz XMKBWTUOFFFSMK-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000178021298 189086520 /nfs/dbraw/zinc/08/65/20/189086520.db2.gz PKALYQJBKDONBJ-GWCFXTLKSA-N 1 0 279.340 2.112 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089818 216214077 /nfs/dbraw/zinc/21/40/77/216214077.db2.gz BMGDTWAXPKMNHR-MISXGVKJSA-N 1 0 293.342 2.293 20 5 CEBDRO CC[C@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179576588 189203708 /nfs/dbraw/zinc/20/37/08/189203708.db2.gz HKTBECVHOMAUFB-ZDUSSCGKSA-N 1 0 280.324 2.399 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732890 366695564 /nfs/dbraw/zinc/69/55/64/366695564.db2.gz BAXJLGORLJTGIW-MBNYWOFBSA-N 1 0 262.309 2.349 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181986368 189311526 /nfs/dbraw/zinc/31/15/26/189311526.db2.gz DWPQFSQIASFGLC-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301698665 201146437 /nfs/dbraw/zinc/14/64/37/201146437.db2.gz CISKAQWOANHXMK-CYBMUJFWSA-N 1 0 291.351 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCn1ccnc1 ZINC000084439731 363809678 /nfs/dbraw/zinc/80/96/78/363809678.db2.gz RDAAZZIWHPBJAM-UHFFFAOYSA-N 1 0 280.715 2.235 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000087818497 363871140 /nfs/dbraw/zinc/87/11/40/363871140.db2.gz ZZKORSZJPBGRBU-VHSXEESVSA-N 1 0 252.314 2.405 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089106955 363931045 /nfs/dbraw/zinc/93/10/45/363931045.db2.gz WUZPCEUCIUTAJT-SMDDNHRTSA-N 1 0 291.351 2.151 20 5 CEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cccc([N+](=O)[O-])c1 ZINC000093676848 364212122 /nfs/dbraw/zinc/21/21/22/364212122.db2.gz ALHICZAYGRYCDQ-VGPLMAKISA-N 1 0 289.335 2.454 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059667 299342861 /nfs/dbraw/zinc/34/28/61/299342861.db2.gz GSAUVIGSIRDOIK-RISCZKNCSA-N 1 0 294.351 2.223 20 5 CEBDRO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000582011677 366849333 /nfs/dbraw/zinc/84/93/33/366849333.db2.gz KDEMQROSCIUSJQ-AWEZNQCLSA-N 1 0 296.367 2.455 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000101957839 364579063 /nfs/dbraw/zinc/57/90/63/364579063.db2.gz KQRJPELHFNTBGK-UHFFFAOYSA-N 1 0 297.380 2.179 20 5 CEBDRO COCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000112352754 364797037 /nfs/dbraw/zinc/79/70/37/364797037.db2.gz QHFYWTIVWWXDLV-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112384524 364802950 /nfs/dbraw/zinc/80/29/50/364802950.db2.gz NTMCLWFBOHVNLC-UHFFFAOYSA-N 1 0 294.355 2.448 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111829512 364762319 /nfs/dbraw/zinc/76/23/19/364762319.db2.gz FTWAOXQDGGEJAV-SECBINFHSA-N 1 0 299.758 2.351 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111832084 364764609 /nfs/dbraw/zinc/76/46/09/364764609.db2.gz TZNHLFYVUSHKPA-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO COC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112985469 364862903 /nfs/dbraw/zinc/86/29/03/364862903.db2.gz YPYQXAAIZAMKJR-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303063 299357610 /nfs/dbraw/zinc/35/76/10/299357610.db2.gz XYXDWFKLAIPEIM-GAJTVXKRSA-N 1 0 296.392 2.284 20 5 CEBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]12 ZINC000582291558 366891138 /nfs/dbraw/zinc/89/11/38/366891138.db2.gz ITWUPDWNUUUIOA-LERXQTSPSA-N 1 0 298.346 2.317 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000159252256 366894486 /nfs/dbraw/zinc/89/44/86/366894486.db2.gz XLQXAHUYEYZLAC-DGCLKSJQSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000159251972 366894767 /nfs/dbraw/zinc/89/47/67/366894767.db2.gz XLQXAHUYEYZLAC-YPMHNXCESA-N 1 0 264.325 2.330 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000159535494 366923651 /nfs/dbraw/zinc/92/36/51/366923651.db2.gz AJAQAFFOABXHSB-OCCSQVGLSA-N 1 0 264.325 2.188 20 5 CEBDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159980800 366964224 /nfs/dbraw/zinc/96/42/24/366964224.db2.gz NTUTUWADELVUKT-GFCCVEGCSA-N 1 0 293.367 2.408 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660342 299366012 /nfs/dbraw/zinc/36/60/12/299366012.db2.gz VNOAEMVSHWPMPI-WCFLWFBJSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590570316 367197863 /nfs/dbraw/zinc/19/78/63/367197863.db2.gz WLBFBBAPEYISTQ-RISCZKNCSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000590570388 367197878 /nfs/dbraw/zinc/19/78/78/367197878.db2.gz YIDADCVSADGLFU-WCBMZHEXSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467006 367242475 /nfs/dbraw/zinc/24/24/75/367242475.db2.gz BRCUIGSYZHAOPC-YPMHNXCESA-N 1 0 263.341 2.012 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000170844069 367429081 /nfs/dbraw/zinc/42/90/81/367429081.db2.gz RYUOXCHMLTWKIE-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](O)CC1 ZINC000275925372 193165500 /nfs/dbraw/zinc/16/55/00/193165500.db2.gz WJQIKCHUCUUXRJ-AULYBMBSSA-N 1 0 282.315 2.469 20 5 CEBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343594489 367904624 /nfs/dbraw/zinc/90/46/24/367904624.db2.gz LBNCYNSKDLNHMK-ZYHUDNBSSA-N 1 0 279.340 2.498 20 5 CEBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000174110090 367985084 /nfs/dbraw/zinc/98/50/84/367985084.db2.gz ZJHHVPRTHSQCCX-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO C[N@@H+](CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174832561 368071644 /nfs/dbraw/zinc/07/16/44/368071644.db2.gz ORIBEAFZHVOTNK-UHFFFAOYSA-N 1 0 292.314 2.105 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182147873 368528707 /nfs/dbraw/zinc/52/87/07/368528707.db2.gz GAJKOAWTXVOJFZ-RYUDHWBXSA-N 1 0 282.340 2.065 20 5 CEBDRO [NH3+][C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346093082 368542668 /nfs/dbraw/zinc/54/26/68/368542668.db2.gz MOLDNVCEIKLYLB-ACVFHECNSA-N 1 0 261.325 2.031 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198703 370948061 /nfs/dbraw/zinc/94/80/61/370948061.db2.gz YVRAPFGZEOJQJG-NEPJUHHUSA-N 1 0 282.340 2.297 20 5 CEBDRO CCC[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185231936 368772294 /nfs/dbraw/zinc/77/22/94/368772294.db2.gz UVHFBOOEFRTDCG-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO Cc1ccc(CN2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346643327 368748715 /nfs/dbraw/zinc/74/87/15/368748715.db2.gz CRBXNRQEVWYZEL-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346653241 368754848 /nfs/dbraw/zinc/75/48/48/368754848.db2.gz PAIJPFVTOLQEKL-GFCCVEGCSA-N 1 0 287.319 2.388 20 5 CEBDRO CCC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185854343 368873952 /nfs/dbraw/zinc/87/39/52/368873952.db2.gz CEIGZSUYWCNBRH-LBPRGKRZSA-N 1 0 266.345 2.446 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348148244 368920448 /nfs/dbraw/zinc/92/04/48/368920448.db2.gz RXUYKDYNYKHAAA-STQMWFEESA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ccc(CN(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000349044911 369229167 /nfs/dbraw/zinc/22/91/67/369229167.db2.gz YLEDJKNFYWOCSA-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478746 369362327 /nfs/dbraw/zinc/36/23/27/369362327.db2.gz VPIWQBJTTPBFHC-QWRGUYRKSA-N 1 0 279.340 2.112 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000349791214 369402242 /nfs/dbraw/zinc/40/22/42/369402242.db2.gz OSRVRCGUFBFGGN-QUCGXOGASA-N 1 0 268.288 2.151 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000246435979 370960280 /nfs/dbraw/zinc/96/02/80/370960280.db2.gz IOVVWMFXELHFLP-GXTWGEPZSA-N 1 0 264.325 2.188 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000246580702 370981390 /nfs/dbraw/zinc/98/13/90/370981390.db2.gz MEMYFSMOMKXZBZ-QMTHXVAHSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190044183 369590833 /nfs/dbraw/zinc/59/08/33/369590833.db2.gz AFAMZDGKFBJNBN-RISCZKNCSA-N 1 0 264.325 2.106 20 5 CEBDRO CCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351140728 369611292 /nfs/dbraw/zinc/61/12/92/369611292.db2.gz CBNLLKIMZBCNTK-UHFFFAOYSA-N 1 0 266.257 2.080 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000252767594 296148324 /nfs/dbraw/zinc/14/83/24/296148324.db2.gz RBTBOMIVXXZFTA-GARJFASQSA-N 1 0 252.314 2.405 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417509 369723093 /nfs/dbraw/zinc/72/30/93/369723093.db2.gz QDPOWFODVDROOJ-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000352671723 369829365 /nfs/dbraw/zinc/82/93/65/369829365.db2.gz JXTUEHGZJPHSLV-JTQLQIEISA-N 1 0 299.321 2.399 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3occc3c2)c1 ZINC000352760673 369871394 /nfs/dbraw/zinc/87/13/94/369871394.db2.gz QYWRFKMPAQGRQC-UHFFFAOYSA-N 1 0 286.291 2.327 20 5 CEBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000193209340 369906040 /nfs/dbraw/zinc/90/60/40/369906040.db2.gz UTFBVQDBWVOXER-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)C1CC1 ZINC000353059030 370003848 /nfs/dbraw/zinc/00/38/48/370003848.db2.gz FBGBEWKFUNHMAK-CYBMUJFWSA-N 1 0 264.325 2.011 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150140 370040300 /nfs/dbraw/zinc/04/03/00/370040300.db2.gz IPIIDBINYFEXQZ-ZFWWWQNUSA-N 1 0 294.351 2.187 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028185 369990211 /nfs/dbraw/zinc/99/02/11/369990211.db2.gz PJDOAYCDGBBGBG-HIFRSBDPSA-N 1 0 294.351 2.065 20 5 CEBDRO COc1cc(C[N@@H+](C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000353205737 370071617 /nfs/dbraw/zinc/07/16/17/370071617.db2.gz PYFHICSIORCJLO-JTQLQIEISA-N 1 0 268.313 2.070 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162345 370221070 /nfs/dbraw/zinc/22/10/70/370221070.db2.gz JVGOBVQSWAKVDQ-VXGBXAGGSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000227984941 370391729 /nfs/dbraw/zinc/39/17/29/370391729.db2.gz HOUZVFXULDMIFQ-ZANVPECISA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCO[C@H]3CCC[C@H]32)cc1F ZINC000227400936 370370979 /nfs/dbraw/zinc/37/09/79/370370979.db2.gz IGKWWGMSDSYQTM-KGLIPLIRSA-N 1 0 280.299 2.487 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000227920549 370388985 /nfs/dbraw/zinc/38/89/85/370388985.db2.gz FTRUMPLKAXWNSK-VIFPVBQESA-N 1 0 297.384 2.446 20 5 CEBDRO CC(C)(CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231399336 370479151 /nfs/dbraw/zinc/47/91/51/370479151.db2.gz WOPPMURRJBRITM-UHFFFAOYSA-N 1 0 258.343 2.155 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856586 370496399 /nfs/dbraw/zinc/49/63/99/370496399.db2.gz INOFMJJHKGLJMJ-CQSZACIVSA-N 1 0 279.340 2.037 20 5 CEBDRO C[C@H]([NH3+])CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235489104 370567833 /nfs/dbraw/zinc/56/78/33/370567833.db2.gz YZBUPMDHBYCMKE-LURJTMIESA-N 1 0 278.234 2.158 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236051570 370583062 /nfs/dbraw/zinc/58/30/62/370583062.db2.gz VLIIMGYJDKMKTN-VIFPVBQESA-N 1 0 284.747 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236155735 370584357 /nfs/dbraw/zinc/58/43/57/370584357.db2.gz GIWOZPWGYBOKII-OCCSQVGLSA-N 1 0 280.299 2.391 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236812282 370633244 /nfs/dbraw/zinc/63/32/44/370633244.db2.gz BIBRAMFOQSBBKV-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CC[C@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247751248 371139725 /nfs/dbraw/zinc/13/97/25/371139725.db2.gz ZDEZIZHVVVYTQP-GXTWGEPZSA-N 1 0 296.367 2.312 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000247421225 371105953 /nfs/dbraw/zinc/10/59/53/371105953.db2.gz YZTNHFZJWLBNNN-KGLIPLIRSA-N 1 0 294.376 2.301 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+]2CCCC2)n1 ZINC000359084515 371331006 /nfs/dbraw/zinc/33/10/06/371331006.db2.gz REIVGYRUIASQFP-UHFFFAOYSA-N 1 0 278.356 2.139 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674959 371466694 /nfs/dbraw/zinc/46/66/94/371466694.db2.gz WFIMYCJVXHNRDO-HIFRSBDPSA-N 1 0 275.352 2.311 20 5 CEBDRO C[C@@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255290395 371570935 /nfs/dbraw/zinc/57/09/35/371570935.db2.gz ORMWGPSTEBJTDP-KXQLTZBTSA-N 1 0 262.309 2.065 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccncc1[N+](=O)[O-] ZINC000360997840 371589178 /nfs/dbraw/zinc/58/91/78/371589178.db2.gz XEIUGCKBMBXIEK-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261780781 371730801 /nfs/dbraw/zinc/73/08/01/371730801.db2.gz LCYKMDDLBAZUEE-SCZZXKLOSA-N 1 0 297.380 2.164 20 5 CEBDRO COC(=O)[C@@H](C)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361176530 371699164 /nfs/dbraw/zinc/69/91/64/371699164.db2.gz WSTBIDZBUWPXLA-BPOWMSRESA-N 1 0 278.308 2.101 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000261850712 371749955 /nfs/dbraw/zinc/74/99/55/371749955.db2.gz WSIVUMNLAGZQHV-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000261884294 371761013 /nfs/dbraw/zinc/76/10/13/371761013.db2.gz WSKFUOJMDYOYOO-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262061753 371815533 /nfs/dbraw/zinc/81/55/33/371815533.db2.gz RFBLXZOAUZPPIG-NWDGAFQWSA-N 1 0 263.341 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC000262089291 371821669 /nfs/dbraw/zinc/82/16/69/371821669.db2.gz UQQCNRGCZBKIDG-MRXNPFEDSA-N 1 0 298.346 2.136 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000361471546 371864975 /nfs/dbraw/zinc/86/49/75/371864975.db2.gz SDVWSMHYBYCGPM-LLVKDONJSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344130900 217064286 /nfs/dbraw/zinc/06/42/86/217064286.db2.gz IIJDUXOVEWSJLI-WCQYABFASA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133534 217066769 /nfs/dbraw/zinc/06/67/69/217066769.db2.gz QDFAAUVYNMPOOA-DGCLKSJQSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361587218 371953571 /nfs/dbraw/zinc/95/35/71/371953571.db2.gz JIRAMHSVBMCBCF-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000344190928 217090252 /nfs/dbraw/zinc/09/02/52/217090252.db2.gz XXQSTICJXUQCBO-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000266405829 372045940 /nfs/dbraw/zinc/04/59/40/372045940.db2.gz QBOQGLIOTQLSKP-ZDUSSCGKSA-N 1 0 293.367 2.060 20 5 CEBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268448445 372104641 /nfs/dbraw/zinc/10/46/41/372104641.db2.gz FLTCHKUESBAPKS-JQWIXIFHSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353142 217163698 /nfs/dbraw/zinc/16/36/98/217163698.db2.gz JJTCTEYQMGRRHC-GXSJLCMTSA-N 1 0 269.370 2.229 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269182566 372367830 /nfs/dbraw/zinc/36/78/30/372367830.db2.gz ILJJQHGDDFNXIM-PSASIEDQSA-N 1 0 297.380 2.083 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000269660061 372522722 /nfs/dbraw/zinc/52/27/22/372522722.db2.gz OLLHUIGFXVVKMF-ZDUSSCGKSA-N 1 0 266.341 2.434 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000269772566 372563077 /nfs/dbraw/zinc/56/30/77/372563077.db2.gz BUNSZCFBUDYVQJ-KOLCDFICSA-N 1 0 270.354 2.392 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000270232216 372710246 /nfs/dbraw/zinc/71/02/46/372710246.db2.gz QZIMSTJPDBSMOV-SECBINFHSA-N 1 0 276.296 2.177 20 5 CEBDRO COCC1(O)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270353693 372753601 /nfs/dbraw/zinc/75/36/01/372753601.db2.gz ILPHLDQTUYFBDG-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270580449 372851835 /nfs/dbraw/zinc/85/18/35/372851835.db2.gz QPIWYMKITXNMNM-CYBMUJFWSA-N 1 0 293.367 2.267 20 5 CEBDRO CC[N@H+](CCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270756628 372937648 /nfs/dbraw/zinc/93/76/48/372937648.db2.gz WCEAQUROINCDOW-LLVKDONJSA-N 1 0 252.314 2.360 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270848102 372981641 /nfs/dbraw/zinc/98/16/41/372981641.db2.gz GEHXVNCOBOACOO-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000289810832 197491877 /nfs/dbraw/zinc/49/18/77/197491877.db2.gz ZRTLSVJUIPLABO-MNOVXSKESA-N 1 0 277.324 2.230 20 5 CEBDRO COC[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000344798160 217314598 /nfs/dbraw/zinc/31/45/98/217314598.db2.gz RIOWJNAEQKEPPG-BLMSOEDDSA-N 1 0 294.351 2.249 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271189132 373172669 /nfs/dbraw/zinc/17/26/69/373172669.db2.gz OQGSQZLXEUVHHS-ZDUSSCGKSA-N 1 0 264.325 2.372 20 5 CEBDRO CO[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271153828 373145458 /nfs/dbraw/zinc/14/54/58/373145458.db2.gz ANSWWGOLZWWLCE-BPJJOFIESA-N 1 0 262.309 2.329 20 5 CEBDRO C[NH+](C)C1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000272305572 373419987 /nfs/dbraw/zinc/41/99/87/373419987.db2.gz DZHYOGFEOFWJEJ-UHFFFAOYSA-N 1 0 298.730 2.026 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(F)F ZINC000344991283 217380001 /nfs/dbraw/zinc/38/00/01/217380001.db2.gz XVENICPSSAQNBC-BIPYJSMBSA-N 1 0 286.278 2.214 20 5 CEBDRO CC[N@H+](CCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272363937 373449717 /nfs/dbraw/zinc/44/97/17/373449717.db2.gz SPAOPISKJLDILM-NSHDSACASA-N 1 0 252.314 2.278 20 5 CEBDRO CC(C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369696944 373490845 /nfs/dbraw/zinc/49/08/45/373490845.db2.gz RYYCYVIBUIZOOG-UHFFFAOYSA-N 1 0 266.345 2.474 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607260 373982539 /nfs/dbraw/zinc/98/25/39/373982539.db2.gz MXYHDTIOLSWPFU-VHSXEESVSA-N 1 0 298.314 2.257 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000274991478 374118608 /nfs/dbraw/zinc/11/86/08/374118608.db2.gz LZZOEJISGLMITA-UHFFFAOYSA-N 1 0 298.705 2.374 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276856129 374327024 /nfs/dbraw/zinc/32/70/24/374327024.db2.gz FRLYINIGOONSKN-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276856126 374327395 /nfs/dbraw/zinc/32/73/95/374327395.db2.gz FRLYINIGOONSKN-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000373465393 374359060 /nfs/dbraw/zinc/35/90/60/374359060.db2.gz KVYOSGLPZBXJMT-ZDUSSCGKSA-N 1 0 276.336 2.372 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276984182 374369572 /nfs/dbraw/zinc/36/95/72/374369572.db2.gz YTCOSTPTXAYHDR-CYBMUJFWSA-N 1 0 296.367 2.490 20 5 CEBDRO COc1cc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000277108439 374405979 /nfs/dbraw/zinc/40/59/79/374405979.db2.gz MTLMPEFYKROKTM-QMMMGPOBSA-N 1 0 271.292 2.105 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000373985391 374461445 /nfs/dbraw/zinc/46/14/45/374461445.db2.gz XLTPTVSUTWEMBX-DZGCQCFKSA-N 1 0 292.335 2.261 20 5 CEBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000280142178 375105730 /nfs/dbraw/zinc/10/57/30/375105730.db2.gz PRMYTPHXJYPCKK-AWEZNQCLSA-N 1 0 286.335 2.496 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000385897438 375247946 /nfs/dbraw/zinc/24/79/46/375247946.db2.gz OCYJJVXNBFTJAM-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000382425281 375186092 /nfs/dbraw/zinc/18/60/92/375186092.db2.gz MEUCPLMIZYUORT-RYUDHWBXSA-N 1 0 286.335 2.247 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000384739219 375214989 /nfs/dbraw/zinc/21/49/89/375214989.db2.gz WTENUFISRAXADQ-SBDDDAINSA-N 1 0 291.351 2.098 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000408308459 375449391 /nfs/dbraw/zinc/44/93/91/375449391.db2.gz ITJSYKGXSREQDW-QWRGUYRKSA-N 1 0 264.329 2.093 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000282291747 375449597 /nfs/dbraw/zinc/44/95/97/375449597.db2.gz QMPNREWEBQAKFR-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282599606 375526273 /nfs/dbraw/zinc/52/62/73/375526273.db2.gz XUZBNHXOUXDNJW-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000286182430 375864777 /nfs/dbraw/zinc/86/47/77/375864777.db2.gz JGUGFGNHNXWNOP-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000414567170 375860249 /nfs/dbraw/zinc/86/02/49/375860249.db2.gz GJXLSBTXHBISSA-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO COC[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286253060 375886333 /nfs/dbraw/zinc/88/63/33/375886333.db2.gz CZUIWXLXCHYWOU-SECBINFHSA-N 1 0 286.278 2.341 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000286193941 375868472 /nfs/dbraw/zinc/86/84/72/375868472.db2.gz BHJWOUYSICKYOV-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO CCC([NH3+])(CC)CNCc1csc([N+](=O)[O-])c1 ZINC000414798793 375982989 /nfs/dbraw/zinc/98/29/89/375982989.db2.gz FVLSJKUSQKBXTB-UHFFFAOYSA-N 1 0 257.359 2.263 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000286848707 376084017 /nfs/dbraw/zinc/08/40/17/376084017.db2.gz AWHMXDFUEILIIM-ZKQHCESOSA-N 1 0 291.351 2.064 20 5 CEBDRO CC[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC000419230914 376403654 /nfs/dbraw/zinc/40/36/54/376403654.db2.gz JIYFICIQKMMEQV-AWEZNQCLSA-N 1 0 264.325 2.378 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000263678667 190072618 /nfs/dbraw/zinc/07/26/18/190072618.db2.gz DYWHEWUSQIDCML-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000263689084 190073279 /nfs/dbraw/zinc/07/32/79/190073279.db2.gz JMBDQWDCKSXNMA-SNVBAGLBSA-N 1 0 250.298 2.445 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000263793830 190079059 /nfs/dbraw/zinc/07/90/59/190079059.db2.gz RGMWLOONWBUIEH-VXGBXAGGSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@@H]1C[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942891 376521672 /nfs/dbraw/zinc/52/16/72/376521672.db2.gz OWYLUCVOMKVDRA-CHWSQXEVSA-N 1 0 289.379 2.341 20 5 CEBDRO CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289930231 376564556 /nfs/dbraw/zinc/56/45/56/376564556.db2.gz WJENCAHFJADPAS-UHFFFAOYSA-N 1 0 271.748 2.242 20 5 CEBDRO CSC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CC1 ZINC000289964851 376579232 /nfs/dbraw/zinc/57/92/32/376579232.db2.gz YSPJOLBSCHNKAX-UHFFFAOYSA-N 1 0 281.381 2.256 20 5 CEBDRO CCOC(=O)c1cc(NC[C@H](C)C[NH2+]C)ccc1[N+](=O)[O-] ZINC000420220467 376626039 /nfs/dbraw/zinc/62/60/39/376626039.db2.gz ZKNSXJUXDANXMS-SNVBAGLBSA-N 1 0 295.339 2.039 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000311042216 376648936 /nfs/dbraw/zinc/64/89/36/376648936.db2.gz FEGIFYUDGWYHRE-NSHDSACASA-N 1 0 256.277 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)F)c(F)c1 ZINC000311556227 376674427 /nfs/dbraw/zinc/67/44/27/376674427.db2.gz JSMKKZOUTUFBJR-UHFFFAOYSA-N 1 0 278.230 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989683 376759987 /nfs/dbraw/zinc/75/99/87/376759987.db2.gz CSEPONCZNHCGCS-CYBMUJFWSA-N 1 0 292.335 2.180 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1csc([N+](=O)[O-])c1 ZINC000290343784 376741493 /nfs/dbraw/zinc/74/14/93/376741493.db2.gz FQRMSYDAPNILNM-ZYHUDNBSSA-N 1 0 283.397 2.428 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000315131624 376794706 /nfs/dbraw/zinc/79/47/06/376794706.db2.gz URYCUMCCXAFRHS-TWGQIWQCSA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000320528881 376825204 /nfs/dbraw/zinc/82/52/04/376825204.db2.gz NLEMRLJCLFUFBZ-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422890894 376854694 /nfs/dbraw/zinc/85/46/94/376854694.db2.gz JJMXOLNEQUORJI-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043148 376948599 /nfs/dbraw/zinc/94/85/99/376948599.db2.gz NLYCGBZZMCRVAA-GXFFZTMASA-N 1 0 297.786 2.378 20 5 CEBDRO CC[NH2+]CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423235446 377154867 /nfs/dbraw/zinc/15/48/67/377154867.db2.gz AZOGOAYYKFKWED-LLVKDONJSA-N 1 0 251.330 2.163 20 5 CEBDRO Cc1ccnc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292730432 377266312 /nfs/dbraw/zinc/26/63/12/377266312.db2.gz IDPQUQIIGWERQD-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000292822383 377298203 /nfs/dbraw/zinc/29/82/03/377298203.db2.gz XEBLIIFQGSPCNI-LBPRGKRZSA-N 1 0 293.367 2.237 20 5 CEBDRO COc1cc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000293106554 377431080 /nfs/dbraw/zinc/43/10/80/377431080.db2.gz PYUINSNJNWFBOT-SNVBAGLBSA-N 1 0 297.330 2.130 20 5 CEBDRO CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)[NH3+] ZINC000564835091 377471482 /nfs/dbraw/zinc/47/14/82/377471482.db2.gz TYYOPVSRAYDCGF-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(O)C1 ZINC000332438787 377603129 /nfs/dbraw/zinc/60/31/29/377603129.db2.gz JHTIWTKOBUINCM-KPPDAEKUSA-N 1 0 250.298 2.111 20 5 CEBDRO CC(C)[NH2+]CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000565248792 377623642 /nfs/dbraw/zinc/62/36/42/377623642.db2.gz REXIPLQYEZTDJL-UHFFFAOYSA-N 1 0 293.367 2.032 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000313303880 249390734 /nfs/dbraw/zinc/39/07/34/249390734.db2.gz DNTBPNHHLISDGT-YSKGHYERSA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000313268206 249390981 /nfs/dbraw/zinc/39/09/81/249390981.db2.gz VMLTXNJZHUVUDF-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293730954 377727786 /nfs/dbraw/zinc/72/77/86/377727786.db2.gz MYKQTGWJPKSIME-LBPRGKRZSA-N 1 0 292.383 2.314 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432318779 377742630 /nfs/dbraw/zinc/74/26/30/377742630.db2.gz UWCLULBXEXBBHK-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000293918423 377825195 /nfs/dbraw/zinc/82/51/95/377825195.db2.gz SKLMUSDSIXKHBC-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512064 378112442 /nfs/dbraw/zinc/11/24/42/378112442.db2.gz OHMGPOIKOPBCFT-WDEREUQCSA-N 1 0 252.318 2.275 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000295286494 378086638 /nfs/dbraw/zinc/08/66/38/378086638.db2.gz TVVNGXHXLIIRBL-GFCCVEGCSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH2+]CC2)o1 ZINC000346640970 217970250 /nfs/dbraw/zinc/97/02/50/217970250.db2.gz KNEJGRVMYWMEDR-UHFFFAOYSA-N 1 0 287.319 2.260 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH3+])C1 ZINC000347122602 218129086 /nfs/dbraw/zinc/12/90/86/218129086.db2.gz WISDEAGECRGNIJ-GFCCVEGCSA-N 1 0 293.367 2.164 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000347197964 218152726 /nfs/dbraw/zinc/15/27/26/218152726.db2.gz IITNFIRUQBMYMI-BXUZGUMPSA-N 1 0 292.335 2.021 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)C1 ZINC000347345996 218199253 /nfs/dbraw/zinc/19/92/53/218199253.db2.gz VDEPNAZFVVRNAP-JOHMGYAOSA-N 1 0 262.309 2.065 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000347371270 218209941 /nfs/dbraw/zinc/20/99/41/218209941.db2.gz JQNYWFGQYZQJMR-XCHKQJEOSA-N 1 0 288.347 2.455 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347432801 218233645 /nfs/dbraw/zinc/23/36/45/218233645.db2.gz ORUHPJAHAHMOSB-JTQLQIEISA-N 1 0 289.339 2.290 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C1 ZINC000299679632 379104474 /nfs/dbraw/zinc/10/44/74/379104474.db2.gz VAELHMOLQHHGRP-MNOVXSKESA-N 1 0 277.324 2.264 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301098093 379194060 /nfs/dbraw/zinc/19/40/60/379194060.db2.gz KWXJSSFPOPAECO-MNOVXSKESA-N 1 0 295.387 2.169 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670568 379236218 /nfs/dbraw/zinc/23/62/18/379236218.db2.gz PWPSHXKPQKEVES-FZMZJTMJSA-N 1 0 286.335 2.457 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000301279952 379244209 /nfs/dbraw/zinc/24/42/09/379244209.db2.gz MBJAGADETLVKTJ-GFCCVEGCSA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000266842469 190283998 /nfs/dbraw/zinc/28/39/98/190283998.db2.gz NIDKHZQZGHZZQX-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854243 190284871 /nfs/dbraw/zinc/28/48/71/190284871.db2.gz JKGXRZHQTGQQPD-OLZOCXBDSA-N 1 0 296.367 2.279 20 5 CEBDRO CC[N@@H+]1CCCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000267184615 190309868 /nfs/dbraw/zinc/30/98/68/190309868.db2.gz GBBFVWMCQNLGNS-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000267250871 190314945 /nfs/dbraw/zinc/31/49/45/190314945.db2.gz IJPVAPJLGGJJKY-GHMZBOCLSA-N 1 0 264.329 2.275 20 5 CEBDRO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000267280759 190317637 /nfs/dbraw/zinc/31/76/37/190317637.db2.gz KSYYHVOUANBWAC-KGLIPLIRSA-N 1 0 291.351 2.256 20 5 CEBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000457192426 379707535 /nfs/dbraw/zinc/70/75/35/379707535.db2.gz YNMAZXZHLRABBZ-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279086342 194278100 /nfs/dbraw/zinc/27/81/00/194278100.db2.gz ORUOTVPOCZMUMS-DZGCQCFKSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279304425 194376503 /nfs/dbraw/zinc/37/65/03/194376503.db2.gz QRNFFXISAAFLQY-OSAQELSMSA-N 1 0 294.351 2.113 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000279337495 194389295 /nfs/dbraw/zinc/38/92/95/194389295.db2.gz PLMGGOOBQBBSSS-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000375600780 285182456 /nfs/dbraw/zinc/18/24/56/285182456.db2.gz VUZJHBBKJVQPEC-VIFPVBQESA-N 1 0 282.369 2.480 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000288503228 197096427 /nfs/dbraw/zinc/09/64/27/197096427.db2.gz SFYLPMUQPVHMOF-GFCCVEGCSA-N 1 0 278.356 2.098 20 5 CEBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190930691 533429858 /nfs/dbraw/zinc/42/98/58/533429858.db2.gz QPKZHDQOXSSEIH-DGCLKSJQSA-N 1 0 250.298 2.252 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000190289798 130085634 /nfs/dbraw/zinc/08/56/34/130085634.db2.gz ZVGUGFUBSAVBIP-UHFFFAOYSA-N 1 0 286.763 2.421 20 5 CEBDRO CC(C)(C)CC[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236610416 130961672 /nfs/dbraw/zinc/96/16/72/130961672.db2.gz NZWXDIOYJDAXJG-KBPBESRZSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252733397 131138254 /nfs/dbraw/zinc/13/82/54/131138254.db2.gz ZEIDCQJEQBOXRM-BFKGZMGPSA-N 1 0 284.381 2.403 20 5 CEBDRO CC(C)[N@H+](C)CCCNCc1csc([N+](=O)[O-])c1 ZINC000225586566 394469401 /nfs/dbraw/zinc/46/94/01/394469401.db2.gz WJIXJZGEXGCVPR-UHFFFAOYSA-N 1 0 271.386 2.476 20 5 CEBDRO CC(C)C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302012553 394469940 /nfs/dbraw/zinc/46/99/40/394469940.db2.gz ZHABNAHZTVSTFH-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO CC[N@H+](C)[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000302819186 394478310 /nfs/dbraw/zinc/47/83/10/394478310.db2.gz JHPZGTWADHHAKQ-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)c2cccnc21 ZINC000413267292 394515811 /nfs/dbraw/zinc/51/58/11/394515811.db2.gz ZXAVWPMBYLXIKF-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000305181673 394498469 /nfs/dbraw/zinc/49/84/69/394498469.db2.gz NZBNXSOWXRPWFZ-AWEZNQCLSA-N 1 0 278.352 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCCCO)C2 ZINC000305442332 394507628 /nfs/dbraw/zinc/50/76/28/394507628.db2.gz NMRATIYKJWDUPP-UHFFFAOYSA-N 1 0 264.325 2.116 20 5 CEBDRO CCCN1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1=O ZINC000421355481 394509154 /nfs/dbraw/zinc/50/91/54/394509154.db2.gz UMKROGBFZQEMFN-SNVBAGLBSA-N 1 0 297.380 2.004 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250989335 394566347 /nfs/dbraw/zinc/56/63/47/394566347.db2.gz XBOAPYJSYKJABR-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000421878447 394625169 /nfs/dbraw/zinc/62/51/69/394625169.db2.gz NIFRIHLRGXYWPY-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422709559 394732288 /nfs/dbraw/zinc/73/22/88/394732288.db2.gz KRFXPLASNUZJSW-UHFFFAOYSA-N 1 0 291.351 2.154 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063286 394710823 /nfs/dbraw/zinc/71/08/23/394710823.db2.gz YHXGIXYOARTHSS-PWSUYJOCSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000422619567 394720128 /nfs/dbraw/zinc/72/01/28/394720128.db2.gz TUUONKUNMPFEEU-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414857140 394773268 /nfs/dbraw/zinc/77/32/68/394773268.db2.gz OYSIIWBXFSBAQP-GHMZBOCLSA-N 1 0 281.331 2.212 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414856430 394773735 /nfs/dbraw/zinc/77/37/35/394773735.db2.gz ZAYBCMBZRQXYJN-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO COc1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414899038 394794888 /nfs/dbraw/zinc/79/48/88/394794888.db2.gz GQHPZEVFCVMEIZ-OAHLLOKOSA-N 1 0 293.367 2.083 20 5 CEBDRO COc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414899036 394795129 /nfs/dbraw/zinc/79/51/29/394795129.db2.gz GQHPZEVFCVMEIZ-HNNXBMFYSA-N 1 0 293.367 2.083 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000422832816 394817999 /nfs/dbraw/zinc/81/79/99/394817999.db2.gz GDSGPJCOJHPMRW-LLVKDONJSA-N 1 0 291.351 2.152 20 5 CEBDRO COCC[C@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000336829831 394880194 /nfs/dbraw/zinc/88/01/94/394880194.db2.gz DPADDUZZGLEAJH-CYBMUJFWSA-N 1 0 282.340 2.044 20 5 CEBDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414992050 394839315 /nfs/dbraw/zinc/83/93/15/394839315.db2.gz QZCANROAFNUWEX-DGCLKSJQSA-N 1 0 265.357 2.243 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCNCC1(F)F ZINC000415011374 394848440 /nfs/dbraw/zinc/84/84/40/394848440.db2.gz ZYRSIVBWJDIGPE-LBPRGKRZSA-N 1 0 299.321 2.238 20 5 CEBDRO Cc1nc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281950525 394884087 /nfs/dbraw/zinc/88/40/87/394884087.db2.gz SDSBRHOHWOENJC-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415300065 394920135 /nfs/dbraw/zinc/92/01/35/394920135.db2.gz RCYQLYBCPYXAKE-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[NH3+] ZINC000415478698 394935967 /nfs/dbraw/zinc/93/59/67/394935967.db2.gz DHQXUSLJNAWHAK-UHFFFAOYSA-N 1 0 280.328 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000415491566 394937409 /nfs/dbraw/zinc/93/74/09/394937409.db2.gz AZXXQKBTYIGMPZ-GFCCVEGCSA-N 1 0 292.339 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cncs2)cc1 ZINC000133103206 394944342 /nfs/dbraw/zinc/94/43/42/394944342.db2.gz UZCLSIFAIQWAHJ-UHFFFAOYSA-N 1 0 279.321 2.220 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423536538 394948060 /nfs/dbraw/zinc/94/80/60/394948060.db2.gz ZOHJJMPHXKIPGI-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089815 395009927 /nfs/dbraw/zinc/00/99/27/395009927.db2.gz BMGDTWAXPKMNHR-JTNHKYCSSA-N 1 0 293.342 2.293 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+](C)C ZINC000286275396 395018336 /nfs/dbraw/zinc/01/83/36/395018336.db2.gz DRZFWVWVBJMIDC-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO CC[N@@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000286337586 395020718 /nfs/dbraw/zinc/02/07/18/395020718.db2.gz LVECBOAUCFTWKR-JTQLQIEISA-N 1 0 289.339 2.002 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423677942 394964089 /nfs/dbraw/zinc/96/40/89/394964089.db2.gz IEQDEMXJDPMMQZ-NSHDSACASA-N 1 0 293.367 2.377 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427110263 395092504 /nfs/dbraw/zinc/09/25/04/395092504.db2.gz KROUDXPRTWNKPP-ZTDBIZBLSA-N 1 0 287.363 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(F)c1 ZINC000494403588 395110812 /nfs/dbraw/zinc/11/08/12/395110812.db2.gz IDCFUTWONZISGD-LLVKDONJSA-N 1 0 290.298 2.035 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000349962320 395178392 /nfs/dbraw/zinc/17/83/92/395178392.db2.gz NEXKRTDHXSFQJG-JTQLQIEISA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000433074099 395196207 /nfs/dbraw/zinc/19/62/07/395196207.db2.gz UZVNODUWAMTCIV-AVGNSLFASA-N 1 0 296.371 2.026 20 5 CEBDRO C[NH2+][C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420272923 395287163 /nfs/dbraw/zinc/28/71/63/395287163.db2.gz MTGDECHDFVOFDO-NWDGAFQWSA-N 1 0 263.341 2.258 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186803335 395293976 /nfs/dbraw/zinc/29/39/76/395293976.db2.gz KTSLBPALHZGQIL-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCO[C@@H](C[NH3+])C1 ZINC000420394978 395369395 /nfs/dbraw/zinc/36/93/95/395369395.db2.gz SNYBWXXODTWIJX-JSGCOSHPSA-N 1 0 293.367 2.014 20 5 CEBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190341972 395339170 /nfs/dbraw/zinc/33/91/70/395339170.db2.gz SAPGAQLKTFKBST-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955237 395344865 /nfs/dbraw/zinc/34/48/65/395344865.db2.gz SHYUFXCCIKNLAF-RYUDHWBXSA-N 1 0 280.324 2.261 20 5 CEBDRO CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000193065739 395400913 /nfs/dbraw/zinc/40/09/13/395400913.db2.gz UOZBYDLWSSWDEP-CQSZACIVSA-N 1 0 292.335 2.325 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000193112772 395402239 /nfs/dbraw/zinc/40/22/39/395402239.db2.gz YSGZIWOAKXSHMZ-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO COCC1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474387 395528927 /nfs/dbraw/zinc/52/89/27/395528927.db2.gz HESLPVRJAYWXJZ-GFCCVEGCSA-N 1 0 262.309 2.351 20 5 CEBDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000566094997 395498743 /nfs/dbraw/zinc/49/87/43/395498743.db2.gz WDXRLPITGLYYPX-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000573812017 395619758 /nfs/dbraw/zinc/61/97/58/395619758.db2.gz CNOWWQNHFKBJOJ-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063192315 400242526 /nfs/dbraw/zinc/24/25/26/400242526.db2.gz QBAWEENPWKSQJY-FZMZJTMJSA-N 1 0 291.351 2.245 20 5 CEBDRO COc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000338783242 286231266 /nfs/dbraw/zinc/23/12/66/286231266.db2.gz FZNHKMLYDGHJAW-UWVGGRQHSA-N 1 0 297.330 2.271 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000360466860 155308318 /nfs/dbraw/zinc/30/83/18/155308318.db2.gz OSPPAFVYPJQRHV-LBPRGKRZSA-N 1 0 261.325 2.269 20 5 CEBDRO CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000189333810 153091362 /nfs/dbraw/zinc/09/13/62/153091362.db2.gz XPHFDPNZAAPEKJ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468748 153321835 /nfs/dbraw/zinc/32/18/35/153321835.db2.gz ATYJMTWGPCOYNE-WDEREUQCSA-N 1 0 274.267 2.262 20 5 CEBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000228044426 153356315 /nfs/dbraw/zinc/35/63/15/153356315.db2.gz XXCPAJRPVHIWDV-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230151803 153382315 /nfs/dbraw/zinc/38/23/15/153382315.db2.gz BQEDCEQKEIEFBR-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000236813486 153453630 /nfs/dbraw/zinc/45/36/30/153453630.db2.gz MGGXSQUAAMAMAP-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)c1 ZINC000261736670 153825926 /nfs/dbraw/zinc/82/59/26/153825926.db2.gz LOVROAYAGLXQSC-FZMZJTMJSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[NH2+]CC2)cc1Cl ZINC000261930757 153878317 /nfs/dbraw/zinc/87/83/17/153878317.db2.gz LOIIOSLEIXOWIE-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695191 154293243 /nfs/dbraw/zinc/29/32/43/154293243.db2.gz YUFZNHNVLQDLKM-DGCLKSJQSA-N 1 0 263.341 2.072 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000360990959 155426334 /nfs/dbraw/zinc/42/63/34/155426334.db2.gz PGSJGKYXYOJLGH-NEPJUHHUSA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000356981482 154367452 /nfs/dbraw/zinc/36/74/52/154367452.db2.gz QPKJOKOXRMFDME-VHSXEESVSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1c(C[NH2+]CC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000359788912 155129183 /nfs/dbraw/zinc/12/91/83/155129183.db2.gz BJEGMTMMIJNQFK-UHFFFAOYSA-N 1 0 262.309 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1F ZINC000368486811 156352888 /nfs/dbraw/zinc/35/28/88/156352888.db2.gz DKMAONUGKUKQAR-AWEZNQCLSA-N 1 0 280.299 2.081 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCF)CC2)n1 ZINC000375642205 157119942 /nfs/dbraw/zinc/11/99/42/157119942.db2.gz QRZQXTZFGQDYLK-UHFFFAOYSA-N 1 0 270.308 2.178 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000375719492 157132859 /nfs/dbraw/zinc/13/28/59/157132859.db2.gz OGHYRIMLUVFVNT-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000170741363 165043166 /nfs/dbraw/zinc/04/31/66/165043166.db2.gz FFACTZUKVGNNEK-MRXNPFEDSA-N 1 0 289.379 2.307 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000174699697 165114239 /nfs/dbraw/zinc/11/42/39/165114239.db2.gz BNHJIXBSOSDRBW-LBPRGKRZSA-N 1 0 283.397 2.428 20 5 CEBDRO CC(C)([NH2+]Cc1cncnc1)c1ccc([N+](=O)[O-])cc1 ZINC000175984980 165151239 /nfs/dbraw/zinc/15/12/39/165151239.db2.gz JRHLAMQDOWMHBZ-UHFFFAOYSA-N 1 0 272.308 2.410 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCn2cccn2)cccc1[N+](=O)[O-] ZINC000180429171 165309030 /nfs/dbraw/zinc/30/90/30/165309030.db2.gz QYTKJOYNNMASGA-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007273170 170275101 /nfs/dbraw/zinc/27/51/01/170275101.db2.gz KLFCWHKFXFFSLR-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO C[C@H]([NH2+]CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526179 171238845 /nfs/dbraw/zinc/23/88/45/171238845.db2.gz BGTGMXQWZZDMHL-LBPRGKRZSA-N 1 0 263.341 2.341 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC(C)(C)O ZINC000285227358 196226659 /nfs/dbraw/zinc/22/66/59/196226659.db2.gz FSABUYPAVMDIGC-UHFFFAOYSA-N 1 0 266.341 2.230 20 5 CEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCOC1=O ZINC000285389234 196269542 /nfs/dbraw/zinc/26/95/42/196269542.db2.gz SHWHQVOBKYGZJU-CYBMUJFWSA-N 1 0 292.335 2.022 20 5 CEBDRO COc1ccc(C[NH2+]C2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000285608397 196342035 /nfs/dbraw/zinc/34/20/35/196342035.db2.gz VQESTHDOMWPLJR-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO O=[N+]([O-])c1cnccc1NCC[NH+]1CCCCCC1 ZINC000040768110 174398805 /nfs/dbraw/zinc/39/88/05/174398805.db2.gz AUVQPLSNCFMDLM-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000078642701 177365199 /nfs/dbraw/zinc/36/51/99/177365199.db2.gz DVEVIZXIMNZJKU-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000179950293 260081567 /nfs/dbraw/zinc/08/15/67/260081567.db2.gz NUIRNNWHQIBQIS-CYBMUJFWSA-N 1 0 288.303 2.421 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)CO ZINC000449165823 260266822 /nfs/dbraw/zinc/26/68/22/260266822.db2.gz XPEUETDROAKXDF-IJLUTSLNSA-N 1 0 266.341 2.132 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+](C2CCC2)C2CCC2)c1 ZINC000429120496 260849825 /nfs/dbraw/zinc/84/98/25/260849825.db2.gz AJDPOPBKNIGDAN-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425357910 264132576 /nfs/dbraw/zinc/13/25/76/264132576.db2.gz YTIAKODWGWVOGK-CQSZACIVSA-N 1 0 287.323 2.023 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000150246136 270236561 /nfs/dbraw/zinc/23/65/61/270236561.db2.gz HCHBZXYPCOFHQU-GFCCVEGCSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000395157347 270345755 /nfs/dbraw/zinc/34/57/55/270345755.db2.gz CJGGVNGGPSVOQJ-GXTWGEPZSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645450 270360400 /nfs/dbraw/zinc/36/04/00/270360400.db2.gz ZGNCQBKINFEHTK-YPMHNXCESA-N 1 0 264.325 2.045 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420275850 270502047 /nfs/dbraw/zinc/50/20/47/270502047.db2.gz HCDCHWYOHCJYNF-IUCAKERBSA-N 1 0 268.292 2.058 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000423681177 270930469 /nfs/dbraw/zinc/93/04/69/270930469.db2.gz NXPCGCCVXHVBMC-DTWKUNHWSA-N 1 0 297.380 2.172 20 5 CEBDRO CCC1(CC)[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C[C@H]1OC ZINC000429292612 271320749 /nfs/dbraw/zinc/32/07/49/271320749.db2.gz XJAXRPRZUAQUCR-VXGBXAGGSA-N 1 0 296.371 2.012 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000430194215 271361505 /nfs/dbraw/zinc/36/15/05/271361505.db2.gz IKGHUJIARHXBTR-IAQYHMDHSA-N 1 0 294.351 2.460 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000430212755 271363036 /nfs/dbraw/zinc/36/30/36/271363036.db2.gz PRQLNFAHCPLMHW-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432318784 271486056 /nfs/dbraw/zinc/48/60/56/271486056.db2.gz UWCLULBXEXBBHK-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO CC1(C)C[C@H](N[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550251 273589639 /nfs/dbraw/zinc/58/96/39/273589639.db2.gz IHYBRUJFRHKDSH-YGRLFVJLSA-N 1 0 275.352 2.269 20 5 CEBDRO CC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291678692 273665928 /nfs/dbraw/zinc/66/59/28/273665928.db2.gz RACWJGCPGIGIKF-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263277566 274451979 /nfs/dbraw/zinc/45/19/79/274451979.db2.gz TVBSAMNBWZRGQA-TZMCWYRMSA-N 1 0 277.324 2.441 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070575083 274763593 /nfs/dbraw/zinc/76/35/93/274763593.db2.gz AHQDCSAJFDOINL-GHMZBOCLSA-N 1 0 277.324 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c2cccnc21 ZINC000413081598 275036292 /nfs/dbraw/zinc/03/62/92/275036292.db2.gz FXJGYOOWYZHMDA-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272232319 277147303 /nfs/dbraw/zinc/14/73/03/277147303.db2.gz UXCUSNBRWBDQEH-SKDRFNHKSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272178139 277178414 /nfs/dbraw/zinc/17/84/14/277178414.db2.gz JTBBWMCDPAUKKP-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO C[NH+]1C[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]2C1 ZINC000362666738 277199442 /nfs/dbraw/zinc/19/94/42/277199442.db2.gz FVSUSBHXIOLXBZ-VXGBXAGGSA-N 1 0 298.346 2.141 20 5 CEBDRO CNCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838760 277272686 /nfs/dbraw/zinc/27/26/86/277272686.db2.gz ZKDGBQKBZHMCSK-GXTWGEPZSA-N 1 0 277.368 2.115 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860484 277779039 /nfs/dbraw/zinc/77/90/39/277779039.db2.gz XVAZGBIMWSAMSG-RISCZKNCSA-N 1 0 280.324 2.051 20 5 CEBDRO COc1cccc(N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000185503683 278016773 /nfs/dbraw/zinc/01/67/73/278016773.db2.gz NGKBOBQNLVLIKT-NWDGAFQWSA-N 1 0 291.351 2.276 20 5 CEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000186265692 278255624 /nfs/dbraw/zinc/25/56/24/278255624.db2.gz UJRPUJIZYADTPA-NSHDSACASA-N 1 0 295.339 2.182 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417358797 278285264 /nfs/dbraw/zinc/28/52/64/278285264.db2.gz UNLKYSNSYSYRIO-XHVZSJERSA-N 1 0 250.298 2.159 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151720591 278288066 /nfs/dbraw/zinc/28/80/66/278288066.db2.gz NXXKFTFBHMZUHP-BXUZGUMPSA-N 1 0 278.352 2.134 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685733 278384755 /nfs/dbraw/zinc/38/47/55/278384755.db2.gz LKUHYIXTGKDSGQ-YPMHNXCESA-N 1 0 275.352 2.482 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330841057 278489992 /nfs/dbraw/zinc/48/99/92/278489992.db2.gz NHGVREJEXAREKT-NXEZZACHSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063192877 278783574 /nfs/dbraw/zinc/78/35/74/278783574.db2.gz RJCBQOADRXOUKH-YPMHNXCESA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193566835 279032835 /nfs/dbraw/zinc/03/28/35/279032835.db2.gz XJILUOBYMCIVNE-UFBFGSQYSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000297415640 279113819 /nfs/dbraw/zinc/11/38/19/279113819.db2.gz RDBIWJQTHPHCPX-PRHODGIISA-N 1 0 297.742 2.200 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222631 279398354 /nfs/dbraw/zinc/39/83/54/279398354.db2.gz IAFSZGJFLVATSZ-NWDGAFQWSA-N 1 0 278.356 2.156 20 5 CEBDRO C[C@H]([NH2+]C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000036319107 279458069 /nfs/dbraw/zinc/45/80/69/279458069.db2.gz SWAMSLCICSQFPW-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000016445274 279593888 /nfs/dbraw/zinc/59/38/88/279593888.db2.gz PMJQJBIJTLWIEK-JTQLQIEISA-N 1 0 263.297 2.018 20 5 CEBDRO C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252207469 279670289 /nfs/dbraw/zinc/67/02/89/279670289.db2.gz VKRQCCQCUNLTOL-FZMZJTMJSA-N 1 0 263.341 2.154 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134937612 280033071 /nfs/dbraw/zinc/03/30/71/280033071.db2.gz YKRMXJGZPUCWIJ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000261568241 280100294 /nfs/dbraw/zinc/10/02/94/280100294.db2.gz JBISRHIQPGOUNT-KWQFWETISA-N 1 0 269.732 2.170 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246175252 280278270 /nfs/dbraw/zinc/27/82/70/280278270.db2.gz GFKMGYYRMHPSDR-GXTWGEPZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC[C@H](C)O ZINC000247687293 280338341 /nfs/dbraw/zinc/33/83/41/280338341.db2.gz VHJWBFMZWPBBIA-WDEREUQCSA-N 1 0 252.314 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]CCC1(F)F ZINC000414995491 280374240 /nfs/dbraw/zinc/37/42/40/280374240.db2.gz FQCRRWQLTLXXMF-MASHWEEQSA-N 1 0 297.305 2.195 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2C(C)C)n1 ZINC000359092527 280398663 /nfs/dbraw/zinc/39/86/63/280398663.db2.gz FWWMKUXICHUOKP-ZDUSSCGKSA-N 1 0 292.383 2.383 20 5 CEBDRO CC[C@@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422838960 280932433 /nfs/dbraw/zinc/93/24/33/280932433.db2.gz PGNUHVPBPRRSTB-CQSZACIVSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1 ZINC000338782427 281014628 /nfs/dbraw/zinc/01/46/28/281014628.db2.gz CPJIYOBTLJWRLB-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423718979 281082316 /nfs/dbraw/zinc/08/23/16/281082316.db2.gz DRFXYRSXBXVQTP-LLVKDONJSA-N 1 0 291.351 2.213 20 5 CEBDRO Cc1cccc(N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000302504323 281224404 /nfs/dbraw/zinc/22/44/04/281224404.db2.gz PVCUJVJAIRCRSX-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1cccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000302504333 281228067 /nfs/dbraw/zinc/22/80/67/281228067.db2.gz PVJNKDJOOYTODW-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000191755120 288362522 /nfs/dbraw/zinc/36/25/22/288362522.db2.gz XKXZTQKAPKPVFT-MFKMUULPSA-N 1 0 250.298 2.109 20 5 CEBDRO CCOc1cc(CNC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000459564639 290181028 /nfs/dbraw/zinc/18/10/28/290181028.db2.gz RVVPUSBOGFGIOE-UHFFFAOYSA-N 1 0 295.383 2.423 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459798894 290245033 /nfs/dbraw/zinc/24/50/33/290245033.db2.gz UVRMKFCVLKBZFH-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO Cc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000487525863 290351006 /nfs/dbraw/zinc/35/10/06/290351006.db2.gz WHYFJJDXYIEYTI-TXEJJXNPSA-N 1 0 263.341 2.085 20 5 CEBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000533436461 298164681 /nfs/dbraw/zinc/16/46/81/298164681.db2.gz HQYKCKINHUAAKJ-UHFFFAOYSA-N 1 0 277.324 2.068 20 5 CEBDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000541595356 298281060 /nfs/dbraw/zinc/28/10/60/298281060.db2.gz TXLZPVWIHOHRRC-UHFFFAOYSA-N 1 0 275.308 2.066 20 5 CEBDRO O=C(CC[NH2+]CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573485 298593944 /nfs/dbraw/zinc/59/39/44/298593944.db2.gz OKIXMLKXUUOUTC-UHFFFAOYSA-N 1 0 277.324 2.313 20 5 CEBDRO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000563951286 298810934 /nfs/dbraw/zinc/81/09/34/298810934.db2.gz XBYJPDRWLZBURL-DOMZBBRYSA-N 1 0 293.367 2.094 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566556553 299002106 /nfs/dbraw/zinc/00/21/06/299002106.db2.gz OWFIWBQYGQTBOZ-BXUZGUMPSA-N 1 0 294.351 2.113 20 5 CEBDRO COC[C@@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000527106155 313166190 /nfs/dbraw/zinc/16/61/90/313166190.db2.gz VLOYFFDBJLHYHV-NSHDSACASA-N 1 0 252.314 2.009 20 5 CEBDRO [NH3+]CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000564931799 313785528 /nfs/dbraw/zinc/78/55/28/313785528.db2.gz ULRUYKYWUPWAJX-UHFFFAOYSA-N 1 0 291.351 2.215 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571779814 314106774 /nfs/dbraw/zinc/10/67/74/314106774.db2.gz VICTZTDKAQGZTG-AWEZNQCLSA-N 1 0 279.315 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000576128804 314246205 /nfs/dbraw/zinc/24/62/05/314246205.db2.gz DJVFKBQFIVRAHG-VXGBXAGGSA-N 1 0 293.367 2.467 20 5 CEBDRO CC[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577504122 314384836 /nfs/dbraw/zinc/38/48/36/314384836.db2.gz SQWCPNYMCXUUHR-UHFFFAOYSA-N 1 0 278.356 2.232 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1(CO)CC1 ZINC000577865529 314422569 /nfs/dbraw/zinc/42/25/69/314422569.db2.gz DTWRYEPCEPXIAG-ZDUSSCGKSA-N 1 0 276.336 2.334 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000578246973 314462205 /nfs/dbraw/zinc/46/22/05/314462205.db2.gz HZIJIOONMVQSNJ-NSHDSACASA-N 1 0 291.351 2.223 20 5 CEBDRO CC(C)[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H](C)[NH3+] ZINC000579826001 321894607 /nfs/dbraw/zinc/89/46/07/321894607.db2.gz YVDGBWMVKNMWFH-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399753155 326810218 /nfs/dbraw/zinc/81/02/18/326810218.db2.gz VHMBBQMQCYECRJ-MFKMUULPSA-N 1 0 279.340 2.461 20 5 CEBDRO CC(C)(O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000359143655 519347675 /nfs/dbraw/zinc/34/76/75/519347675.db2.gz NKLIPSFZWIEOJY-ALCCZGGFSA-N 1 0 264.325 2.359 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188888772 520199604 /nfs/dbraw/zinc/19/96/04/520199604.db2.gz GOIGPHABQZZHAT-YPUOHESYSA-N 1 0 291.351 2.064 20 5 CEBDRO Cc1nc(N[C@H]2CCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000357778603 534499164 /nfs/dbraw/zinc/49/91/64/534499164.db2.gz IXNIWEJXEIPRLK-CMPLNLGQSA-N 1 0 264.329 2.193 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000069093202 521486325 /nfs/dbraw/zinc/48/63/25/521486325.db2.gz NQEUEXNZWWLLJO-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CCC[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000299355090 521605312 /nfs/dbraw/zinc/60/53/12/521605312.db2.gz HQGBUDRMRWQHNL-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183644295 522815601 /nfs/dbraw/zinc/81/56/01/522815601.db2.gz KYRZMZHDQSQPDC-GFCCVEGCSA-N 1 0 279.340 2.147 20 5 CEBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000055901341 523437501 /nfs/dbraw/zinc/43/75/01/523437501.db2.gz GCRLJQVVRKBHAO-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898283 524293374 /nfs/dbraw/zinc/29/33/74/524293374.db2.gz RFINJYMKXDAPMK-JQWIXIFHSA-N 1 0 281.331 2.151 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163732604 524472926 /nfs/dbraw/zinc/47/29/26/524472926.db2.gz HQBOCGYFVPHLQE-GHMZBOCLSA-N 1 0 292.339 2.043 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)[NH2+]1 ZINC000070076061 524527012 /nfs/dbraw/zinc/52/70/12/524527012.db2.gz MSUIBFDIPVKHMV-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049502229 524610856 /nfs/dbraw/zinc/61/08/56/524610856.db2.gz XXTBBFIHAAKMQQ-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000183320408 525564118 /nfs/dbraw/zinc/56/41/18/525564118.db2.gz BIRFXJHVHWDLJS-HNNXBMFYSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1c(CN2CCCC[C@H]2C(=[NH2+])NO)cccc1[N+](=O)[O-] ZINC000364768538 525706871 /nfs/dbraw/zinc/70/68/71/525706871.db2.gz JDYJBHBSXVORFP-ZDUSSCGKSA-N 1 0 292.339 2.214 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOCC1 ZINC000363377521 526078479 /nfs/dbraw/zinc/07/84/79/526078479.db2.gz DBXHCUPEGAMAKP-NSHDSACASA-N 1 0 250.298 2.378 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000050269487 527347697 /nfs/dbraw/zinc/34/76/97/527347697.db2.gz YNTIPSODPWUDPK-AWEZNQCLSA-N 1 0 262.309 2.420 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000366094445 527414272 /nfs/dbraw/zinc/41/42/72/527414272.db2.gz JKNMIOLBPQWOTD-WCQYABFASA-N 1 0 264.329 2.056 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000357775373 527990726 /nfs/dbraw/zinc/99/07/26/527990726.db2.gz PFBKRBXKYUWSOJ-SNVBAGLBSA-N 1 0 283.376 2.169 20 5 CEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000748243235 574438004 /nfs/dbraw/zinc/43/80/04/574438004.db2.gz WGRTWWIVGVKPMV-CQSZACIVSA-N 1 0 280.324 2.416 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000763266686 574585531 /nfs/dbraw/zinc/58/55/31/574585531.db2.gz FLHKBCIYPHBGTD-UHFFFAOYSA-N 1 0 295.339 2.066 20 5 CEBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCC1 ZINC000749954766 575241826 /nfs/dbraw/zinc/24/18/26/575241826.db2.gz NZOUTNOTNJGXOW-UHFFFAOYSA-N 1 0 289.339 2.480 20 5 CEBDRO [NH3+]C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049964296 623276369 /nfs/dbraw/zinc/27/63/69/623276369.db2.gz CVEAXATWRPJWTE-SNVBAGLBSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261596101 623389153 /nfs/dbraw/zinc/38/91/53/623389153.db2.gz AKULIEYPRWUOMZ-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1csc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000096658587 623499272 /nfs/dbraw/zinc/49/92/72/623499272.db2.gz BSDDPXFFUVFPAX-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000891434857 623645905 /nfs/dbraw/zinc/64/59/05/623645905.db2.gz RIRGEZVUASCRTB-NSHDSACASA-N 1 0 283.376 2.251 20 5 CEBDRO Cc1cc(Cc2noc(CC(C)(C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191013 624032226 /nfs/dbraw/zinc/03/22/26/624032226.db2.gz ABIQDLMKHSTOGU-UHFFFAOYSA-N 1 0 290.323 2.157 20 5 CEBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891884635 624063482 /nfs/dbraw/zinc/06/34/82/624063482.db2.gz YVPIFSPMGAXAGS-UHFFFAOYSA-N 1 0 281.360 2.005 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135461718 624233645 /nfs/dbraw/zinc/23/36/45/624233645.db2.gz ZOLMAAIECYBOQS-XTZNXHDOSA-N 1 0 270.354 2.014 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126063 624248194 /nfs/dbraw/zinc/24/81/94/624248194.db2.gz SORFWEGBQYSDJU-OLZOCXBDSA-N 1 0 250.298 2.204 20 5 CEBDRO COc1c(O)ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000892113770 624328137 /nfs/dbraw/zinc/32/81/37/624328137.db2.gz HUKKANBFINRWJK-PHIMTYICSA-N 1 0 292.335 2.397 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000050373637 624651162 /nfs/dbraw/zinc/65/11/62/624651162.db2.gz ZFAKIDSNIANYDZ-AAEUAGOBSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc3nonc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892673060 627387549 /nfs/dbraw/zinc/38/75/49/627387549.db2.gz FJULOPRIPPCKNN-DTWKUNHWSA-N 1 0 291.311 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1F ZINC000293216226 627396511 /nfs/dbraw/zinc/39/65/11/627396511.db2.gz RKYWDFDQJOHNBZ-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000893280385 628236106 /nfs/dbraw/zinc/23/61/06/628236106.db2.gz WUXRSZRIUHMAEB-DZGBDDFRSA-N 1 0 294.351 2.438 20 5 CEBDRO CCCC[N@H+](CC[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000930828259 628280935 /nfs/dbraw/zinc/28/09/35/628280935.db2.gz ZILZZYUSNRTTOE-NSHDSACASA-N 1 0 283.397 2.379 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693220 628923928 /nfs/dbraw/zinc/92/39/28/628923928.db2.gz UBPFATMSPKPRIP-IQJOONFLSA-N 1 0 266.345 2.342 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893939160 629054874 /nfs/dbraw/zinc/05/48/74/629054874.db2.gz IACOTHTVLKHLHX-TVQRCGJNSA-N 1 0 281.743 2.389 20 5 CEBDRO CCOc1cc(N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893941518 629056470 /nfs/dbraw/zinc/05/64/70/629056470.db2.gz SLGFUOWZINGTQU-SMDDNHRTSA-N 1 0 291.351 2.134 20 5 CEBDRO CCc1nccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000158495835 629144692 /nfs/dbraw/zinc/14/46/92/629144692.db2.gz WDECJZLQHJPXIY-UHFFFAOYSA-N 1 0 292.270 2.132 20 5 CEBDRO Cc1ncoc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000894229824 629240736 /nfs/dbraw/zinc/24/07/36/629240736.db2.gz YTRSYJJADXPZLT-UHFFFAOYSA-N 1 0 277.280 2.060 20 5 CEBDRO Cc1cc(F)cc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000261825423 629258976 /nfs/dbraw/zinc/25/89/76/629258976.db2.gz IRZCILABWUMXLI-UHFFFAOYSA-N 1 0 292.270 2.430 20 5 CEBDRO [NH3+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261947720 629371183 /nfs/dbraw/zinc/37/11/83/629371183.db2.gz NMXIUTJDWSIDMD-JTQLQIEISA-N 1 0 269.732 2.029 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413696 629444886 /nfs/dbraw/zinc/44/48/86/629444886.db2.gz NOTDHYHSLFQHKT-SCZZXKLOSA-N 1 0 298.364 2.150 20 5 CEBDRO C[NH+]1C[C@@]2(C)CN(c3ccsc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894802244 629648396 /nfs/dbraw/zinc/64/83/96/629648396.db2.gz MFHSEOSRRYWCCO-STQMWFEESA-N 1 0 281.381 2.434 20 5 CEBDRO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000895139508 629950988 /nfs/dbraw/zinc/95/09/88/629950988.db2.gz MVSKWUSRARONOD-LLVKDONJSA-N 1 0 280.324 2.192 20 5 CEBDRO COc1c(O)ccc(C[N@H+](C)CCCF)c1[N+](=O)[O-] ZINC000896069217 630456879 /nfs/dbraw/zinc/45/68/79/630456879.db2.gz BZMWRRLFPADYCS-UHFFFAOYSA-N 1 0 272.276 2.100 20 5 CEBDRO CCO[C@H](CNc1sccc1[N+](=O)[O-])C[NH+](C)C ZINC000896118287 630470084 /nfs/dbraw/zinc/47/00/84/630470084.db2.gz YWNPKJAJRZSPFN-SECBINFHSA-N 1 0 273.358 2.035 20 5 CEBDRO CCO[C@@H](CNc1ccsc1[N+](=O)[O-])C[NH+](C)C ZINC000896110035 630472572 /nfs/dbraw/zinc/47/25/72/630472572.db2.gz QOCHQAHJTAKZFZ-VIFPVBQESA-N 1 0 273.358 2.035 20 5 CEBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896524962 630589381 /nfs/dbraw/zinc/58/93/81/630589381.db2.gz ZWCKPAKFSJXYNU-LLVKDONJSA-N 1 0 297.380 2.322 20 5 CEBDRO CCn1cnc2c1CCN(c1cc(C)c([N+](=O)[O-])cn1)C2 ZINC000896660258 630624124 /nfs/dbraw/zinc/62/41/24/630624124.db2.gz MFBSJTXFWFYCLF-UHFFFAOYSA-N 1 0 287.323 2.077 20 5 CEBDRO CC[N@H+](CCC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000896711313 630646736 /nfs/dbraw/zinc/64/67/36/630646736.db2.gz FXAJHLHHRFAAOG-FMIVXFBMSA-N 1 0 291.351 2.195 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCF)CC2)cc1 ZINC000797999758 630798861 /nfs/dbraw/zinc/79/88/61/630798861.db2.gz HAMFJUJYDOLODD-UHFFFAOYSA-N 1 0 267.304 2.123 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000799343136 631016985 /nfs/dbraw/zinc/01/69/85/631016985.db2.gz AVSQVJXHCCWLRY-DFBGVHRSSA-N 1 0 294.351 2.128 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801539516 631285901 /nfs/dbraw/zinc/28/59/01/631285901.db2.gz HYPJHKFLXMXIRY-LBPRGKRZSA-N 1 0 296.298 2.165 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544999 631286754 /nfs/dbraw/zinc/28/67/54/631286754.db2.gz XVMHEACBFQRXJH-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC000897419827 631339192 /nfs/dbraw/zinc/33/91/92/631339192.db2.gz VMEMSUJARJGKIS-UHFFFAOYSA-N 1 0 266.345 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCCC[NH+](C)C)c1F ZINC000803462727 631568938 /nfs/dbraw/zinc/56/89/38/631568938.db2.gz QHCWZSHXIRSQDI-UHFFFAOYSA-N 1 0 284.287 2.151 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000787963009 632355321 /nfs/dbraw/zinc/35/53/21/632355321.db2.gz TUQJSZKHUJEKBB-ZDUSSCGKSA-N 1 0 280.324 2.224 20 5 CEBDRO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585712 633034545 /nfs/dbraw/zinc/03/45/45/633034545.db2.gz PZCXKSDFPBTWCS-RYUDHWBXSA-N 1 0 292.383 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@]34C[C@H]3CCCN4)n2)cc1 ZINC000899994465 633164514 /nfs/dbraw/zinc/16/45/14/633164514.db2.gz CRFUQRAAYRJORW-YGRLFVJLSA-N 1 0 286.291 2.243 20 5 CEBDRO Nc1ccc(OCCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000818618513 633962847 /nfs/dbraw/zinc/96/28/47/633962847.db2.gz QIDMIPHUAZRLHI-UHFFFAOYSA-N 1 0 267.329 2.465 20 5 CEBDRO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818954140 634015076 /nfs/dbraw/zinc/01/50/76/634015076.db2.gz SQBLLQLHAQUGCN-ABAIWWIYSA-N 1 0 290.319 2.442 20 5 CEBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000819093016 634065638 /nfs/dbraw/zinc/06/56/38/634065638.db2.gz IKVBBUQAPCHTMR-HNNXBMFYSA-N 1 0 293.367 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCS2)c1 ZINC000819149164 634084415 /nfs/dbraw/zinc/08/44/15/634084415.db2.gz GHHRRRKOFKJODI-CHWSQXEVSA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000819194053 634100274 /nfs/dbraw/zinc/10/02/74/634100274.db2.gz OCFPQPXYKUODAJ-HZMBPMFUSA-N 1 0 275.308 2.307 20 5 CEBDRO CC1(C)SC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819297880 634130759 /nfs/dbraw/zinc/13/07/59/634130759.db2.gz IQOXMBWCZCFZIX-NWDGAFQWSA-N 1 0 282.365 2.112 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819374457 634160926 /nfs/dbraw/zinc/16/09/26/634160926.db2.gz MQURJVRXXUYNGM-YUELXQCFSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000901715588 634272977 /nfs/dbraw/zinc/27/29/77/634272977.db2.gz RWGGGGPLROTRAA-AWEZNQCLSA-N 1 0 291.351 2.430 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1 ZINC000822643647 634961641 /nfs/dbraw/zinc/96/16/41/634961641.db2.gz HFTBIJAHKUCTOX-IEBDPFPHSA-N 1 0 272.264 2.068 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903098992 634968747 /nfs/dbraw/zinc/96/87/47/634968747.db2.gz WUUDGONYQFPKRQ-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903107199 634972761 /nfs/dbraw/zinc/97/27/61/634972761.db2.gz NZNOHOFZTCPKSA-IINYFYTJSA-N 1 0 282.340 2.271 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(C)COC2)cc([N+](=O)[O-])c1 ZINC000903096750 634976620 /nfs/dbraw/zinc/97/66/20/634976620.db2.gz KCOMEGWZCGLXHO-SNVBAGLBSA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903112840 634977718 /nfs/dbraw/zinc/97/77/18/634977718.db2.gz JNPNKQVXLQWIGM-GMXVVIOVSA-N 1 0 292.335 2.191 20 5 CEBDRO COc1cc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175464 634998825 /nfs/dbraw/zinc/99/88/25/634998825.db2.gz SIVKRVMQHNHYDO-VXGBXAGGSA-N 1 0 295.383 2.452 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903216865 635019699 /nfs/dbraw/zinc/01/96/99/635019699.db2.gz JZTUHEONRFNMMR-GIPNMCIBSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903253914 635030371 /nfs/dbraw/zinc/03/03/71/635030371.db2.gz OYOFFFQFZUBZOD-XNWIYYODSA-N 1 0 295.314 2.039 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903298986 635046390 /nfs/dbraw/zinc/04/63/90/635046390.db2.gz BIPLLKXDCJJJAH-NJZAAPMLSA-N 1 0 294.351 2.358 20 5 CEBDRO CC(C)[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)[C@H](C)[NH3+] ZINC000823236153 635108426 /nfs/dbraw/zinc/10/84/26/635108426.db2.gz ZEKJLRGXELLNJL-ONGXEEELSA-N 1 0 284.360 2.144 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903436128 635116582 /nfs/dbraw/zinc/11/65/82/635116582.db2.gz HBLMGYZCCSXQCT-MRCXROJRSA-N 1 0 291.351 2.253 20 5 CEBDRO Cc1c(-c2noc([C@@H]3CC[NH2+][C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000823269486 635118876 /nfs/dbraw/zinc/11/88/76/635118876.db2.gz HLGWVQIBNUUYHQ-GXSJLCMTSA-N 1 0 288.307 2.419 20 5 CEBDRO Cc1c(-c2noc([C@@H](C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269967 635119040 /nfs/dbraw/zinc/11/90/40/635119040.db2.gz METQCAXCEBYFCN-ZETCQYMHSA-N 1 0 262.269 2.015 20 5 CEBDRO Cc1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000823269542 635119313 /nfs/dbraw/zinc/11/93/13/635119313.db2.gz IGRSBZWYNJURMS-SNVBAGLBSA-N 1 0 288.307 2.105 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000823269687 635119465 /nfs/dbraw/zinc/11/94/65/635119465.db2.gz JVJQXRCALFRLPT-SFYZADRCSA-N 1 0 278.268 2.298 20 5 CEBDRO Cc1cc(-c2noc(CC[C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270820 635119838 /nfs/dbraw/zinc/11/98/38/635119838.db2.gz VTLFIPMZQLIBDX-SECBINFHSA-N 1 0 276.296 2.233 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@]12CC[NH2+]C2 ZINC000903866668 635300512 /nfs/dbraw/zinc/30/05/12/635300512.db2.gz WPWIYBYJKVUOQN-CQSZACIVSA-N 1 0 279.315 2.062 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]([NH3+])CC(F)F ZINC000903884157 635325889 /nfs/dbraw/zinc/32/58/89/635325889.db2.gz TUGQYERXUCMJBE-JTQLQIEISA-N 1 0 273.283 2.009 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000905022612 635792052 /nfs/dbraw/zinc/79/20/52/635792052.db2.gz AUVXIYLPYKGRFG-UHFFFAOYSA-N 1 0 272.732 2.365 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000905064192 635809670 /nfs/dbraw/zinc/80/96/70/635809670.db2.gz HCMJBOKUWNWVIM-LLVKDONJSA-N 1 0 283.759 2.033 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000905159521 635834231 /nfs/dbraw/zinc/83/42/31/635834231.db2.gz MDIVXOUCOBWWPH-RKDXNWHRSA-N 1 0 254.252 2.221 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](Sc2ccccc2)C1 ZINC000905405733 636259368 /nfs/dbraw/zinc/25/93/68/636259368.db2.gz SSYYQUBAMXVRCW-UMSPYCQHSA-N 1 0 252.339 2.176 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000905667900 636374873 /nfs/dbraw/zinc/37/48/73/636374873.db2.gz RRZVEVCBYGMXOH-BSLXNSKLSA-N 1 0 276.336 2.406 20 5 CEBDRO C[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000905643437 636379651 /nfs/dbraw/zinc/37/96/51/636379651.db2.gz MAIYOPSUFMEJFE-KWQFWETISA-N 1 0 292.257 2.211 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644916 636380438 /nfs/dbraw/zinc/38/04/38/636380438.db2.gz UHSDTYZTCSVYDK-QWHCGFSZSA-N 1 0 296.367 2.075 20 5 CEBDRO C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000905736617 636423686 /nfs/dbraw/zinc/42/36/86/636423686.db2.gz CNQVNTSDBFDOFI-LLVKDONJSA-N 1 0 290.323 2.013 20 5 CEBDRO CC(C)[NH2+]Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000905800413 636465726 /nfs/dbraw/zinc/46/57/26/636465726.db2.gz WMCOXEGBPYQLFG-NSHDSACASA-N 1 0 289.339 2.294 20 5 CEBDRO [NH3+][C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000906508360 636759633 /nfs/dbraw/zinc/75/96/33/636759633.db2.gz PCVPTNMSRDXPIT-HAQNSBGRSA-N 1 0 287.319 2.434 20 5 CEBDRO CCCOc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930202562 636817533 /nfs/dbraw/zinc/81/75/33/636817533.db2.gz XGLZETPFQADINA-LLVKDONJSA-N 1 0 282.340 2.411 20 5 CEBDRO [NH3+]CCCCCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000830311328 637032732 /nfs/dbraw/zinc/03/27/32/637032732.db2.gz KDHLUPKIUOLOTE-UHFFFAOYSA-N 1 0 293.323 2.412 20 5 CEBDRO CC[N@H+](CCSC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830999640 637214536 /nfs/dbraw/zinc/21/45/36/637214536.db2.gz QOQUFZTZGHWFRF-CYBMUJFWSA-N 1 0 284.381 2.313 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000831063342 637225511 /nfs/dbraw/zinc/22/55/11/637225511.db2.gz YOEYMYWOLYRDLZ-ZWNOBZJWSA-N 1 0 291.351 2.208 20 5 CEBDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000876570975 650336206 /nfs/dbraw/zinc/33/62/06/650336206.db2.gz DNDUCSKZFPFRAA-HAQNSBGRSA-N 1 0 289.335 2.001 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C(C)C ZINC000911826221 638425304 /nfs/dbraw/zinc/42/53/04/638425304.db2.gz MWIZLZBNECBLDF-NSHDSACASA-N 1 0 297.380 2.030 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3)C2)c1 ZINC000876888128 650474971 /nfs/dbraw/zinc/47/49/71/650474971.db2.gz AEFJWTGCFMTTBQ-UHFFFAOYSA-N 1 0 272.308 2.285 20 5 CEBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000913404463 639274086 /nfs/dbraw/zinc/27/40/86/639274086.db2.gz GRQRJNGDXZKDBG-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145533 639450275 /nfs/dbraw/zinc/45/02/75/639450275.db2.gz ZNQJYVXNGNYONI-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225434063 639497733 /nfs/dbraw/zinc/49/77/33/639497733.db2.gz RMTMQWVHLGVEPZ-MRVPVSSYSA-N 1 0 268.298 2.362 20 5 CEBDRO Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000228560131 639644216 /nfs/dbraw/zinc/64/42/16/639644216.db2.gz MURIQUMWGIXPAI-NSHDSACASA-N 1 0 288.307 2.420 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)NC1CC[NH2+]CC1 ZINC000841232129 639714048 /nfs/dbraw/zinc/71/40/48/639714048.db2.gz AXLKCTKZVJBMHA-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203431 639745700 /nfs/dbraw/zinc/74/57/00/639745700.db2.gz XKDONDMXVOMPAU-QWRGUYRKSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000172494329 639768585 /nfs/dbraw/zinc/76/85/85/639768585.db2.gz MIFFHFAKJARFGW-LLVKDONJSA-N 1 0 290.323 2.013 20 5 CEBDRO CC1(C)[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000172942194 639831506 /nfs/dbraw/zinc/83/15/06/639831506.db2.gz LDXXPDQNVJDBIW-BETUJISGSA-N 1 0 286.335 2.490 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063194643 639837739 /nfs/dbraw/zinc/83/77/39/639837739.db2.gz AVQHXLOIDHJEKT-MFKMUULPSA-N 1 0 281.331 2.436 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3Cc4ccccc43)C2)c1 ZINC000877016774 650533074 /nfs/dbraw/zinc/53/30/74/650533074.db2.gz PTYGGBKBBCIFCZ-IYXRBSQSSA-N 1 0 298.346 2.424 20 5 CEBDRO Cc1c(CN2CC[C@]3(CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000842478353 640077776 /nfs/dbraw/zinc/07/77/76/640077776.db2.gz ROLJRUAGBFLXQY-OAHLLOKOSA-N 1 0 275.352 2.231 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000842710060 640156735 /nfs/dbraw/zinc/15/67/35/640156735.db2.gz JPKQSESOGLSPPT-JBLDHEPKSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057859 640260167 /nfs/dbraw/zinc/26/01/67/640260167.db2.gz MRTSRRRUGCOMQJ-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO CC(C)c1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843131268 640297240 /nfs/dbraw/zinc/29/72/40/640297240.db2.gz GISMIMNIXQDXJY-UHFFFAOYSA-N 1 0 276.296 2.269 20 5 CEBDRO CC(C)c1[nH]nc(-c2nc([C@@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843151303 640309869 /nfs/dbraw/zinc/30/98/69/640309869.db2.gz XQLXRHVBXKGHED-ZETCQYMHSA-N 1 0 294.315 2.147 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000877096736 650570390 /nfs/dbraw/zinc/57/03/90/650570390.db2.gz PFXDDNAQQMJQEH-MRVPVSSYSA-N 1 0 293.348 2.229 20 5 CEBDRO CC(C)(CCc1noc(CCCCCC[NH3+])n1)[N+](=O)[O-] ZINC000843232980 640361492 /nfs/dbraw/zinc/36/14/92/640361492.db2.gz FFSDWXLMJCMROV-UHFFFAOYSA-N 1 0 284.360 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)o1 ZINC000843237412 640364360 /nfs/dbraw/zinc/36/43/60/640364360.db2.gz ADDQBHDSIOUIJF-QMMMGPOBSA-N 1 0 290.279 2.095 20 5 CEBDRO CC1(C)CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH2+]C1 ZINC000877157918 650602085 /nfs/dbraw/zinc/60/20/85/650602085.db2.gz LPGFWRGJDHLTEF-LBPRGKRZSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1sc(C(=O)N2C3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000877190449 650618408 /nfs/dbraw/zinc/61/84/08/650618408.db2.gz FWASRDIGGZSLQU-UHFFFAOYSA-N 1 0 295.364 2.061 20 5 CEBDRO C[NH+](C)CC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000923760731 641021183 /nfs/dbraw/zinc/02/11/83/641021183.db2.gz LICBXZIJFBYOOO-UHFFFAOYSA-N 1 0 288.307 2.238 20 5 CEBDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000232922912 641082785 /nfs/dbraw/zinc/08/27/85/641082785.db2.gz HEQSURRMTBUKHN-DGCLKSJQSA-N 1 0 264.325 2.264 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845420 641451075 /nfs/dbraw/zinc/45/10/75/641451075.db2.gz OAQGWGTVKITQBA-MFKMUULPSA-N 1 0 293.323 2.086 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074733 641629292 /nfs/dbraw/zinc/62/92/92/641629292.db2.gz MQQGDODHILGNGH-GHMZBOCLSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1cc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000847827766 641796485 /nfs/dbraw/zinc/79/64/85/641796485.db2.gz XJHLEZRKNKCIQZ-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO Cc1c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000847829474 641797323 /nfs/dbraw/zinc/79/73/23/641797323.db2.gz KIDQOOCFJYHQCI-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C(F)(F)F ZINC000848524687 642032566 /nfs/dbraw/zinc/03/25/66/642032566.db2.gz VPABRHPHRMNNMJ-KOLCDFICSA-N 1 0 290.241 2.095 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1ccco1 ZINC000848523098 642032805 /nfs/dbraw/zinc/03/28/05/642032805.db2.gz ZRVKUODKFYCREF-JSGCOSHPSA-N 1 0 288.303 2.498 20 5 CEBDRO C[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000848621559 642077314 /nfs/dbraw/zinc/07/73/14/642077314.db2.gz NBZGDZNCSRFHKU-QMMMGPOBSA-N 1 0 262.269 2.234 20 5 CEBDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000848992169 642212628 /nfs/dbraw/zinc/21/26/28/642212628.db2.gz UFTHOLRVEIHCRK-SECBINFHSA-N 1 0 250.302 2.007 20 5 CEBDRO COc1ccc(CNC(=[NH2+])NCC2CCC2)cc1[N+](=O)[O-] ZINC000848996051 642215696 /nfs/dbraw/zinc/21/56/96/642215696.db2.gz ASVAPFJTPZFBIM-UHFFFAOYSA-N 1 0 292.339 2.017 20 5 CEBDRO CC(C)NC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849029310 642242010 /nfs/dbraw/zinc/24/20/10/642242010.db2.gz PKWYBPDCVABUFT-UHFFFAOYSA-N 1 0 289.339 2.141 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+](C)C ZINC000849168926 642277275 /nfs/dbraw/zinc/27/72/75/642277275.db2.gz QNHMOBODQOLOOB-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO CO[C@@](C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877521709 650764614 /nfs/dbraw/zinc/76/46/14/650764614.db2.gz APHMVOBTGNRTGN-HNNXBMFYSA-N 1 0 293.367 2.175 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850312715 642664546 /nfs/dbraw/zinc/66/45/46/642664546.db2.gz ZDLGKADRVAYREL-GIFSMMMISA-N 1 0 292.335 2.443 20 5 CEBDRO CON(C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000850478271 642724509 /nfs/dbraw/zinc/72/45/09/642724509.db2.gz QZASQULUUXBBOQ-HNNXBMFYSA-N 1 0 293.367 2.445 20 5 CEBDRO COC1(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877550579 650782882 /nfs/dbraw/zinc/78/28/82/650782882.db2.gz IYPQTIQAXKTRCL-UHFFFAOYSA-N 1 0 294.355 2.044 20 5 CEBDRO COC1([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877590841 650804478 /nfs/dbraw/zinc/80/44/78/650804478.db2.gz JFDNXUOXGFXACS-UNXYVOJBSA-N 1 0 294.355 2.042 20 5 CEBDRO COC(OC)[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922312771 643021517 /nfs/dbraw/zinc/02/15/17/643021517.db2.gz AZKWVGCDEBZJMP-NSHDSACASA-N 1 0 282.340 2.309 20 5 CEBDRO COC(CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000851907702 643219089 /nfs/dbraw/zinc/21/90/89/643219089.db2.gz VXTJYZUZMODZEI-SNVBAGLBSA-N 1 0 268.313 2.254 20 5 CEBDRO CCOCCOCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922945663 643471093 /nfs/dbraw/zinc/47/10/93/643471093.db2.gz UOUNFQOXOSKCHJ-UHFFFAOYSA-N 1 0 296.367 2.354 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852560685 643473239 /nfs/dbraw/zinc/47/32/39/643473239.db2.gz BLVQNHNHFUGKBY-JOYOIKCWSA-N 1 0 268.288 2.079 20 5 CEBDRO CC[N@H+](CCNc1c(Cl)cncc1[N+](=O)[O-])C(C)C ZINC000853254470 643723282 /nfs/dbraw/zinc/72/32/82/643723282.db2.gz ZLDHGOPBSJVQPL-UHFFFAOYSA-N 1 0 286.763 2.207 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000853748024 643887041 /nfs/dbraw/zinc/88/70/41/643887041.db2.gz GQTJEHGNMVYDJA-LLVKDONJSA-N 1 0 278.356 2.462 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877752384 650895930 /nfs/dbraw/zinc/89/59/30/650895930.db2.gz DQVDVVCOEPVOCG-GFCCVEGCSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855414289 644336565 /nfs/dbraw/zinc/33/65/65/644336565.db2.gz YGLBDBBNGAWQBS-LZGFCCKTSA-N 1 0 291.351 2.064 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000754572942 644393677 /nfs/dbraw/zinc/39/36/77/644393677.db2.gz ZXAAVXBJTWTFDH-LNSITVRQSA-N 1 0 294.351 2.033 20 5 CEBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000877827569 650923990 /nfs/dbraw/zinc/92/39/90/650923990.db2.gz CBILISHKIUSSAI-XUJVJEKNSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902504 650942983 /nfs/dbraw/zinc/94/29/83/650942983.db2.gz BTIMOPRIJWBSFW-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000857238836 644867829 /nfs/dbraw/zinc/86/78/29/644867829.db2.gz DPYDZJRWSCBNBK-ZYHUDNBSSA-N 1 0 286.278 2.263 20 5 CEBDRO CC[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000858821943 645263677 /nfs/dbraw/zinc/26/36/77/645263677.db2.gz FZUVDUZLYSHANR-DTWKUNHWSA-N 1 0 285.294 2.450 20 5 CEBDRO CC[N@@H+]1CCCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000763203187 645514714 /nfs/dbraw/zinc/51/47/14/645514714.db2.gz LIZUSKRSFYXMCW-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859684542 645568045 /nfs/dbraw/zinc/56/80/45/645568045.db2.gz DHGQCLGOMPMRCV-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000768101070 646083667 /nfs/dbraw/zinc/08/36/67/646083667.db2.gz HBJYOLJPKUDAAD-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000770373042 646384051 /nfs/dbraw/zinc/38/40/51/646384051.db2.gz YEXUNRUDABOEES-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO C[C@H]1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000863484824 646740707 /nfs/dbraw/zinc/74/07/07/646740707.db2.gz NLZCYNIUNRNXSC-CABZTGNLSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863486981 646741220 /nfs/dbraw/zinc/74/12/20/646741220.db2.gz HOOYACDXGGUDAF-GZMMTYOYSA-N 1 0 269.732 2.088 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000774536064 646858913 /nfs/dbraw/zinc/85/89/13/646858913.db2.gz GMSDQOIAYQBELR-STQMWFEESA-N 1 0 281.381 2.077 20 5 CEBDRO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000776277602 647045217 /nfs/dbraw/zinc/04/52/17/647045217.db2.gz OMIZBKZJOXVZPO-WDMOLILDSA-N 1 0 296.392 2.454 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865511910 647333939 /nfs/dbraw/zinc/33/39/39/647333939.db2.gz JADQHIQHMUAFCS-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000866054941 647589983 /nfs/dbraw/zinc/58/99/83/647589983.db2.gz LQOUFOBFYPLGCI-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000866205912 647669530 /nfs/dbraw/zinc/66/95/30/647669530.db2.gz ODISDUUHUQYTOF-ZANVPECISA-N 1 0 297.305 2.403 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206064 647669713 /nfs/dbraw/zinc/66/97/13/647669713.db2.gz IYCXXVGQIQPMDI-QWHCGFSZSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206284 647669732 /nfs/dbraw/zinc/66/97/32/647669732.db2.gz RIWSEGVLCICTDL-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206359 647671009 /nfs/dbraw/zinc/67/10/09/647671009.db2.gz KJJNULVZIIGFSI-CMPLNLGQSA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866207983 647672113 /nfs/dbraw/zinc/67/21/13/647672113.db2.gz ZGIRSHHXURPKJB-OLZOCXBDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCOC1 ZINC000866308735 647728807 /nfs/dbraw/zinc/72/88/07/647728807.db2.gz FVVXLLIHGZRGNO-CABZTGNLSA-N 1 0 268.288 2.043 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cocn1 ZINC000866319880 647735126 /nfs/dbraw/zinc/73/51/26/647735126.db2.gz CVTFWDGLZBSSEF-SECBINFHSA-N 1 0 279.271 2.443 20 5 CEBDRO COc1ccc(CN2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000866700196 647874008 /nfs/dbraw/zinc/87/40/08/647874008.db2.gz SJGTXITYPULGDS-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO CO[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785573708 647937057 /nfs/dbraw/zinc/93/70/57/647937057.db2.gz SYWFCCMGJXYHHE-GFCCVEGCSA-N 1 0 293.367 2.188 20 5 CEBDRO CC[C@H](C)[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942747 647996482 /nfs/dbraw/zinc/99/64/82/647996482.db2.gz VXTJPPRPXVGEET-PGUXBMHVSA-N 1 0 293.367 2.320 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868008360 648019609 /nfs/dbraw/zinc/01/96/09/648019609.db2.gz OJDRXJLUAZLNGY-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO CC(C)[N@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591520 648205573 /nfs/dbraw/zinc/20/55/73/648205573.db2.gz YXBMEPRCMJFPQD-NSHDSACASA-N 1 0 280.372 2.168 20 5 CEBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000791052942 648476257 /nfs/dbraw/zinc/47/62/57/648476257.db2.gz PTLYRWMCGBEUGN-JQWIXIFHSA-N 1 0 252.289 2.280 20 5 CEBDRO C[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000793260254 648733123 /nfs/dbraw/zinc/73/31/23/648733123.db2.gz HQBKKHIUJRHLSJ-JTQLQIEISA-N 1 0 296.396 2.079 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000870963602 648963699 /nfs/dbraw/zinc/96/36/99/648963699.db2.gz PHZDGPRPFISWFN-KLPPZKSPSA-N 1 0 291.351 2.185 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036098 649249037 /nfs/dbraw/zinc/24/90/37/649249037.db2.gz RVEQONTWHRJVEY-BDAKNGLRSA-N 1 0 256.277 2.155 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053423 649255649 /nfs/dbraw/zinc/25/56/49/649255649.db2.gz KCKIILYTHHPWAZ-SECBINFHSA-N 1 0 297.330 2.157 20 5 CEBDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063379 649259531 /nfs/dbraw/zinc/25/95/31/649259531.db2.gz WCBNUIPUJQTSHT-JTQLQIEISA-N 1 0 292.314 2.361 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077903 649265184 /nfs/dbraw/zinc/26/51/84/649265184.db2.gz NKIRVMNGJCKHFL-KXUCPTDWSA-N 1 0 295.314 2.039 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129526 649286657 /nfs/dbraw/zinc/28/66/57/649286657.db2.gz JUGLYUPGAQABLU-DMDPSCGWSA-N 1 0 263.341 2.196 20 5 CEBDRO CC(C)(CCc1noc(/C=C/[C@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000872182382 649311025 /nfs/dbraw/zinc/31/10/25/649311025.db2.gz KNVUOTVIDZYNKM-MVIFTORASA-N 1 0 294.355 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCN1C ZINC000873023771 649534461 /nfs/dbraw/zinc/53/44/61/649534461.db2.gz WAMDEELCTDFZDR-ZDUSSCGKSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000873056073 649545334 /nfs/dbraw/zinc/54/53/34/649545334.db2.gz UCOQKLORRFBYKI-CYBMUJFWSA-N 1 0 286.335 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000873102441 649558849 /nfs/dbraw/zinc/55/88/49/649558849.db2.gz PNXWXUAEFPXPJC-QWRGUYRKSA-N 1 0 266.341 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1([S@](C)=O)CC1 ZINC000873121507 649562892 /nfs/dbraw/zinc/56/28/92/649562892.db2.gz IUNLEHPUDOFEHA-FQEVSTJZSA-N 1 0 296.392 2.212 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230166 649601469 /nfs/dbraw/zinc/60/14/69/649601469.db2.gz NBCIVWMFEXMMAM-IRJXADNDSA-N 1 0 287.363 2.482 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000874471143 649779858 /nfs/dbraw/zinc/77/98/58/649779858.db2.gz XLXOHXBMRINEJN-LLVKDONJSA-N 1 0 293.367 2.282 20 5 CEBDRO CO[C@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321733 651285625 /nfs/dbraw/zinc/28/56/25/651285625.db2.gz RDHWTSJTAWHMLF-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO CC1(F)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879382914 651295220 /nfs/dbraw/zinc/29/52/20/651295220.db2.gz ULEDYKVUWTYNGR-ZDUSSCGKSA-N 1 0 282.315 2.452 20 5 CEBDRO CCC(O)(CC)C(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000879700133 651341281 /nfs/dbraw/zinc/34/12/81/651341281.db2.gz FCEMENSSCOESOW-UHFFFAOYSA-N 1 0 298.387 2.019 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(F)CC2)c1 ZINC000880242588 651407637 /nfs/dbraw/zinc/40/76/37/651407637.db2.gz DTNPJKOOJADTBD-UHFFFAOYSA-N 1 0 268.288 2.408 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880292238 651415877 /nfs/dbraw/zinc/41/58/77/651415877.db2.gz VYTFJZFVVNQVRP-SNVBAGLBSA-N 1 0 268.288 2.395 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000881815077 651892103 /nfs/dbraw/zinc/89/21/03/651892103.db2.gz AEQXNLONXXHZNJ-VHSXEESVSA-N 1 0 280.303 2.168 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000882962246 652293737 /nfs/dbraw/zinc/29/37/37/652293737.db2.gz MFAWLQOLOIBSEX-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130871283 652350533 /nfs/dbraw/zinc/35/05/33/652350533.db2.gz YFPOXZRECGYKJX-NSPYISDASA-N 1 0 284.381 2.322 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883090150 652360799 /nfs/dbraw/zinc/36/07/99/652360799.db2.gz CYQFZCOKXDUUKE-JDGPPOGSSA-N 1 0 250.298 2.012 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883090152 652361258 /nfs/dbraw/zinc/36/12/58/652361258.db2.gz CYQFZCOKXDUUKE-ZZKXABKFSA-N 1 0 250.298 2.012 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000883200210 652397992 /nfs/dbraw/zinc/39/79/92/652397992.db2.gz CZZHPCAHJCREGA-DZGCQCFKSA-N 1 0 294.351 2.126 20 5 CEBDRO COc1cc(C[NH2+]C[C@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000883238542 652410518 /nfs/dbraw/zinc/41/05/18/652410518.db2.gz FYOODBNNEATUAV-JTQLQIEISA-N 1 0 278.308 2.365 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCN1CC ZINC000883360838 652443610 /nfs/dbraw/zinc/44/36/10/652443610.db2.gz MSNTVQRPZIQCDN-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(C[C@@H]2C[C@H](F)C[NH2+]2)C2CC2)c1 ZINC000883430531 652467093 /nfs/dbraw/zinc/46/70/93/652467093.db2.gz XBRSUXJRSVKBJN-STQMWFEESA-N 1 0 293.342 2.259 20 5 CEBDRO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441355 652471425 /nfs/dbraw/zinc/47/14/25/652471425.db2.gz MFFVGHKPHAYZTL-CHWSQXEVSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cc(F)cc(C(=O)NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000131905718 652479549 /nfs/dbraw/zinc/47/95/49/652479549.db2.gz SAHGHXNCEAFYQI-UHFFFAOYSA-N 1 0 295.314 2.042 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132280145 652509567 /nfs/dbraw/zinc/50/95/67/652509567.db2.gz JLOTWDDOMOUWNZ-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000216143797 652967870 /nfs/dbraw/zinc/96/78/70/652967870.db2.gz JIMVPMKKUZADCQ-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001217979236 803523152 /nfs/dbraw/zinc/52/31/52/803523152.db2.gz GUMQOAHKUKMICH-GXFFZTMASA-N 1 0 268.288 2.372 20 5 CEBDRO Cc1c(C[NH2+]CCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000692599552 803727226 /nfs/dbraw/zinc/72/72/26/803727226.db2.gz AMWKZQGTILQVTE-LBPRGKRZSA-N 1 0 277.368 2.335 20 5 CEBDRO CC[N@@H+]1CC[C@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222760587 804041809 /nfs/dbraw/zinc/04/18/09/804041809.db2.gz SAUJUOVFUXDGKH-LBPRGKRZSA-N 1 0 250.298 2.206 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C2(C[NH3+])CC2)n1 ZINC001118183663 814991212 /nfs/dbraw/zinc/99/12/12/814991212.db2.gz MRAHQJIBDGOCRD-UHFFFAOYSA-N 1 0 288.307 2.252 20 5 CEBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249277 815079650 /nfs/dbraw/zinc/07/96/50/815079650.db2.gz AUNUFBLPBCSDET-QWRGUYRKSA-N 1 0 284.385 2.044 20 5 CEBDRO C[NH+](C)CCNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001161665973 805521501 /nfs/dbraw/zinc/52/15/01/805521501.db2.gz ANLOLGHBHPAORE-UHFFFAOYSA-N 1 0 266.345 2.261 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001168415424 807246681 /nfs/dbraw/zinc/24/66/81/807246681.db2.gz FQDADQOCAUHSKF-UHFFFAOYSA-N 1 0 299.212 2.083 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001122268008 807632283 /nfs/dbraw/zinc/63/22/83/807632283.db2.gz UNIAITKNNWBQTH-IAQYHMDHSA-N 1 0 293.367 2.332 20 5 CEBDRO CCC1(Nc2ncc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]C1 ZINC001168581416 808665483 /nfs/dbraw/zinc/66/54/83/808665483.db2.gz WKWJUMRVBPHTKL-UHFFFAOYSA-N 1 0 278.356 2.451 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001120883595 815290369 /nfs/dbraw/zinc/29/03/69/815290369.db2.gz ITAHLCFEZFPHDA-AAEUAGOBSA-N 1 0 276.340 2.216 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000708728494 809934363 /nfs/dbraw/zinc/93/43/63/809934363.db2.gz HCDUFINGCWGXRT-BJHJDKERSA-N 1 0 264.325 2.418 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+](C)C ZINC001163776590 810191657 /nfs/dbraw/zinc/19/16/57/810191657.db2.gz FEFYBMQLGWLQKM-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H](C)C[NH+](C)C ZINC001229960729 810519355 /nfs/dbraw/zinc/51/93/55/810519355.db2.gz OLTZWPLWYIZIJZ-SNVBAGLBSA-N 1 0 296.323 2.019 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000118274779 810734079 /nfs/dbraw/zinc/73/40/79/810734079.db2.gz KHHOSJHPPXLLPM-VHSXEESVSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252575 815395872 /nfs/dbraw/zinc/39/58/72/815395872.db2.gz UEEYSTNBAZEVRQ-JTQLQIEISA-N 1 0 277.324 2.044 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154974975 810865703 /nfs/dbraw/zinc/86/57/03/810865703.db2.gz GMECUJRFMKUGSC-SFYZADRCSA-N 1 0 270.720 2.325 20 5 CEBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001155247754 811025831 /nfs/dbraw/zinc/02/58/31/811025831.db2.gz LGYFTUDXGZHNSG-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976175 811304731 /nfs/dbraw/zinc/30/47/31/811304731.db2.gz ZCANGLSKSPCCQB-WDEREUQCSA-N 1 0 280.299 2.043 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)C1 ZINC001168977475 811306109 /nfs/dbraw/zinc/30/61/09/811306109.db2.gz KCOPCQPTNMUIGO-KLOLGFOXSA-N 1 0 294.395 2.105 20 5 CEBDRO [NH3+]Cc1ccc2ncn([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168977677 811307129 /nfs/dbraw/zinc/30/71/29/811307129.db2.gz LERJLAUXJJSLKA-VXGBXAGGSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C1 ZINC001168978443 811307448 /nfs/dbraw/zinc/30/74/48/811307448.db2.gz SEYTZYSMEDWCFK-KKUMJFAQSA-N 1 0 284.400 2.353 20 5 CEBDRO CC(C)c1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001168979025 811308944 /nfs/dbraw/zinc/30/89/44/811308944.db2.gz WFNNGHGLTSTKBY-GHMZBOCLSA-N 1 0 267.329 2.333 20 5 CEBDRO Cc1ccc(C(=O)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168982920 811310359 /nfs/dbraw/zinc/31/03/59/811310359.db2.gz JFHHWXGKXSEKCV-OCCSQVGLSA-N 1 0 276.336 2.213 20 5 CEBDRO CC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168984329 811311035 /nfs/dbraw/zinc/31/10/35/811311035.db2.gz MANOSVSZHNHOFB-HIFRSBDPSA-N 1 0 276.336 2.424 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC001168984975 811311188 /nfs/dbraw/zinc/31/11/88/811311188.db2.gz RHOSJQNCACQIOH-IXPVHAAZSA-N 1 0 276.336 2.415 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(OC)c1 ZINC001168958710 811313083 /nfs/dbraw/zinc/31/30/83/811313083.db2.gz ONSLUTXRURBKJK-DGCLKSJQSA-N 1 0 294.351 2.239 20 5 CEBDRO CN(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965668 811317422 /nfs/dbraw/zinc/31/74/22/811317422.db2.gz BTGNCCHYCHTQEH-ZIAGYGMSSA-N 1 0 277.368 2.158 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001168973271 811321736 /nfs/dbraw/zinc/32/17/36/811321736.db2.gz NQZDWCHMQANNQN-UONOGXRCSA-N 1 0 282.384 2.228 20 5 CEBDRO CN(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168974891 811323141 /nfs/dbraw/zinc/32/31/41/811323141.db2.gz SRXYTQPNKPBHHT-HZPDHXFCSA-N 1 0 291.395 2.153 20 5 CEBDRO CCOc1ccnc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991557 811323304 /nfs/dbraw/zinc/32/33/04/811323304.db2.gz HKNDJIWNGIRULP-VXGBXAGGSA-N 1 0 279.340 2.015 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccnc3)CC2)C1 ZINC001168998867 811326457 /nfs/dbraw/zinc/32/64/57/811326457.db2.gz QRFPMNBINRUFBG-UKRRQHHQSA-N 1 0 289.379 2.439 20 5 CEBDRO CC(C)(Cc1ccncc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999084 811326645 /nfs/dbraw/zinc/32/66/45/811326645.db2.gz RUGAPGVIBJHIBX-ZIAGYGMSSA-N 1 0 277.368 2.438 20 5 CEBDRO C[N@H+](CCc1ccccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007107 811333307 /nfs/dbraw/zinc/33/33/07/811333307.db2.gz LCCUPBZZMYVLJC-OCCSQVGLSA-N 1 0 263.341 2.001 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988302 811337192 /nfs/dbraw/zinc/33/71/92/811337192.db2.gz QSPGKYKGPDIGGF-CMPLNLGQSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)C1 ZINC001168987777 811337455 /nfs/dbraw/zinc/33/74/55/811337455.db2.gz KGHAACGLZUHFHJ-OSAQELSMSA-N 1 0 276.336 2.293 20 5 CEBDRO COC(=O)CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168987991 811337795 /nfs/dbraw/zinc/33/77/95/811337795.db2.gz MEUKZIVTRUSWII-OLZOCXBDSA-N 1 0 298.383 2.287 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)C1 ZINC001169030302 811343237 /nfs/dbraw/zinc/34/32/37/811343237.db2.gz YFRZYPIMZJAQMO-YUELXQCFSA-N 1 0 275.352 2.316 20 5 CEBDRO C[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035806 811346123 /nfs/dbraw/zinc/34/61/23/811346123.db2.gz CJVSZTQVVCVOKC-TZMCWYRMSA-N 1 0 276.336 2.247 20 5 CEBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039172 811348113 /nfs/dbraw/zinc/34/81/13/811348113.db2.gz NWYOTPMTSBMAKX-VNHYZAJKSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)C1(C)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037574 811348666 /nfs/dbraw/zinc/34/86/66/811348666.db2.gz SQGMEEWLAWVLTC-QWHCGFSZSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169038211 811348765 /nfs/dbraw/zinc/34/87/65/811348765.db2.gz WYEXXXVOWBRFGO-RQJABVFESA-N 1 0 298.383 2.095 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3occc3C2)C1 ZINC001169039954 811348968 /nfs/dbraw/zinc/34/89/68/811348968.db2.gz WHICRCIKVSXCRL-CMPLNLGQSA-N 1 0 250.298 2.083 20 5 CEBDRO Cc1nnc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)o1 ZINC001169038971 811349371 /nfs/dbraw/zinc/34/93/71/811349371.db2.gz LZIHJOKIPDRVJJ-DGCLKSJQSA-N 1 0 294.355 2.003 20 5 CEBDRO CC(C)OC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023889 811355243 /nfs/dbraw/zinc/35/52/43/811355243.db2.gz GGUGMMKIJLXHRN-CHWSQXEVSA-N 1 0 270.373 2.321 20 5 CEBDRO C[N@H+](Cc1cccc2c1OCO2)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169057049 811359665 /nfs/dbraw/zinc/35/96/65/811359665.db2.gz UPTHRWPRGITZOL-DGCLKSJQSA-N 1 0 292.335 2.293 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3ncccc32)n1 ZINC001169708711 811636137 /nfs/dbraw/zinc/63/61/37/811636137.db2.gz OBJJQFNBCBTYEQ-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001169717583 811641360 /nfs/dbraw/zinc/64/13/60/811641360.db2.gz DMLYGYQCFBZTTO-UHFFFAOYSA-N 1 0 291.355 2.385 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001156580545 811823302 /nfs/dbraw/zinc/82/33/02/811823302.db2.gz NWXPLRXWQANERB-NSHDSACASA-N 1 0 272.308 2.259 20 5 CEBDRO Cc1ccnc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157010010 811983831 /nfs/dbraw/zinc/98/38/31/811983831.db2.gz NTDYNOIILXJBMI-LBPRGKRZSA-N 1 0 278.356 2.217 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001170326686 812387896 /nfs/dbraw/zinc/38/78/96/812387896.db2.gz BOSUDRFVAMCADG-DDTOSNHZSA-N 1 0 293.367 2.004 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170335974 812390875 /nfs/dbraw/zinc/39/08/75/812390875.db2.gz SKQJMRHGBVRSAI-RTXFEEFZSA-N 1 0 276.336 2.486 20 5 CEBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170335975 812391137 /nfs/dbraw/zinc/39/11/37/812391137.db2.gz SKQJMRHGBVRSAI-WCFLWFBJSA-N 1 0 276.336 2.486 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccnn1)CC2 ZINC001172898170 815539361 /nfs/dbraw/zinc/53/93/61/815539361.db2.gz HDTOPPYJGBTTDI-AWEZNQCLSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccncn1)CC2 ZINC001172899083 815539977 /nfs/dbraw/zinc/53/99/77/815539977.db2.gz LGTHKQVEIHVOSB-CQSZACIVSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ncc1NC[C@H]1CCCC[NH2+]1 ZINC001171329033 814549053 /nfs/dbraw/zinc/54/90/53/814549053.db2.gz SZXJOXFTQMMJAK-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO CCOc1cccc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712547265 814766031 /nfs/dbraw/zinc/76/60/31/814766031.db2.gz HJOWEJAKEUUCEL-JTQLQIEISA-N 1 0 265.313 2.110 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000712570077 814767135 /nfs/dbraw/zinc/76/71/35/814767135.db2.gz DCJIKJCKPLWATQ-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC001117264124 814911454 /nfs/dbraw/zinc/91/14/54/814911454.db2.gz XELSYMDDKPMCGB-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1O ZINC001173218641 815624744 /nfs/dbraw/zinc/62/47/44/815624744.db2.gz RFBRLYNSGMZJGS-HONMWMINSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001173218561 815624761 /nfs/dbraw/zinc/62/47/61/815624761.db2.gz QKEHJTRUOAKJBK-KYOSRNDESA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)CO ZINC001173217487 815624897 /nfs/dbraw/zinc/62/48/97/815624897.db2.gz VLTZBZUAPKXTDG-LLVKDONJSA-N 1 0 266.341 2.134 20 5 CEBDRO COC(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220525 815625838 /nfs/dbraw/zinc/62/58/38/815625838.db2.gz FQZWRLWLZPEGRF-WDEREUQCSA-N 1 0 280.324 2.067 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCC1 ZINC001173220348 815625912 /nfs/dbraw/zinc/62/59/12/815625912.db2.gz YPGKSTZOWJJNKK-NSHDSACASA-N 1 0 264.325 2.030 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CO)C1 ZINC001173223928 815627138 /nfs/dbraw/zinc/62/71/38/815627138.db2.gz BTDSXTALMRPDQQ-DOMZBBRYSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC001173222858 815627322 /nfs/dbraw/zinc/62/73/22/815627322.db2.gz ZXCQAFOPMZVMOS-LERXQTSPSA-N 1 0 278.352 2.275 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC001173225505 815629183 /nfs/dbraw/zinc/62/91/83/815629183.db2.gz CPROKOPZVKCNTD-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1O ZINC001173233182 815632971 /nfs/dbraw/zinc/63/29/71/815632971.db2.gz HJFUXUKUFDGZRQ-LLVKDONJSA-N 1 0 287.319 2.416 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](O)C1 ZINC001173211587 815635428 /nfs/dbraw/zinc/63/54/28/815635428.db2.gz TUDKQVJMIJFPBG-OSMZGAPFSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC001173214343 815637108 /nfs/dbraw/zinc/63/71/08/815637108.db2.gz AOQXDZBACYIFMP-NSHDSACASA-N 1 0 287.319 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc[nH+]c(CO)c2)c1 ZINC001175734469 816271840 /nfs/dbraw/zinc/27/18/40/816271840.db2.gz QETHXDQFMIIRPT-UHFFFAOYSA-N 1 0 263.228 2.365 20 5 CEBDRO C[NH+](C)CCCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001206286827 816488108 /nfs/dbraw/zinc/48/81/08/816488108.db2.gz OLYICIAWCBXEKM-CQSZACIVSA-N 1 0 264.325 2.030 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601304509 346816078 /nfs/dbraw/zinc/81/60/78/346816078.db2.gz QVFANHAOEIONOL-RBSFLKMASA-N 1 0 294.351 2.175 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000034486068 361792190 /nfs/dbraw/zinc/79/21/90/361792190.db2.gz CPPLYHWAJWTDDK-UHFFFAOYSA-N 1 0 257.721 2.246 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449143283 282117464 /nfs/dbraw/zinc/11/74/64/282117464.db2.gz PXAMPHGHGGZZIK-FZMZJTMJSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601330593 346822091 /nfs/dbraw/zinc/82/20/91/346822091.db2.gz UYXHTNQDADOYGU-KWQFWETISA-N 1 0 269.732 2.170 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000601333106 346823000 /nfs/dbraw/zinc/82/30/00/346823000.db2.gz AITRMUCJPGKFPA-NEPJUHHUSA-N 1 0 281.381 2.230 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334742 346823630 /nfs/dbraw/zinc/82/36/30/346823630.db2.gz NBRPHVRFBAYZCO-OCCSQVGLSA-N 1 0 275.352 2.169 20 5 CEBDRO Cc1c(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334276 346823735 /nfs/dbraw/zinc/82/37/35/346823735.db2.gz JYSKXWOZIAZDGD-CJNGLKHVSA-N 1 0 289.379 2.477 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781541 361857722 /nfs/dbraw/zinc/85/77/22/361857722.db2.gz BTFPEPIHCSCGHF-CYBMUJFWSA-N 1 0 279.340 2.160 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000037871713 361957925 /nfs/dbraw/zinc/95/79/25/361957925.db2.gz UYXRSXMXAADONR-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO CC1(F)CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000567697452 299077743 /nfs/dbraw/zinc/07/77/43/299077743.db2.gz YRNPWEDFUVMCSH-UHFFFAOYSA-N 1 0 295.314 2.404 20 5 CEBDRO CC1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040771693 361996840 /nfs/dbraw/zinc/99/68/40/361996840.db2.gz UIIVBJSJNZJKCJ-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000449284193 282171514 /nfs/dbraw/zinc/17/15/14/282171514.db2.gz OIFZFKHXJPOQRR-ONGXEEELSA-N 1 0 288.294 2.132 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042159322 362062956 /nfs/dbraw/zinc/06/29/56/362062956.db2.gz GEOQRWURXSFOPA-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126488431 187242999 /nfs/dbraw/zinc/24/29/99/187242999.db2.gz XSUQNDREGXOUIC-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO CCN1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677646 343422548 /nfs/dbraw/zinc/42/25/48/343422548.db2.gz KUKCCAXWDBXHTC-HNNXBMFYSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000027753816 343394337 /nfs/dbraw/zinc/39/43/37/343394337.db2.gz DKXZVDLRNJHGAO-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000029605845 343400579 /nfs/dbraw/zinc/40/05/79/343400579.db2.gz XLQSMTKLIKEPRP-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1CO ZINC000033394592 343417474 /nfs/dbraw/zinc/41/74/74/343417474.db2.gz HTLIFIOVEGAHAR-RJNRQISESA-N 1 0 262.309 2.065 20 5 CEBDRO C[C@@H](F)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845997 136381270 /nfs/dbraw/zinc/38/12/70/136381270.db2.gz YDSJYRFPAMCILT-GFCCVEGCSA-N 1 0 281.331 2.465 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364552 343470391 /nfs/dbraw/zinc/47/03/91/343470391.db2.gz HTCVGQILMNGMFW-CQSZACIVSA-N 1 0 277.368 2.415 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000127662384 365757322 /nfs/dbraw/zinc/75/73/22/365757322.db2.gz NEZLCAPFXFFREJ-JXMROGBWSA-N 1 0 291.351 2.242 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN(C)C1=O ZINC000601967782 346945185 /nfs/dbraw/zinc/94/51/85/346945185.db2.gz BIKGJQUUWGKXHY-CQSZACIVSA-N 1 0 291.351 2.038 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1CC1 ZINC000049238108 343536225 /nfs/dbraw/zinc/53/62/25/343536225.db2.gz NTFWKHFDGSBWAR-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO CCC[N@H+](CC)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000128245820 365780136 /nfs/dbraw/zinc/78/01/36/365780136.db2.gz UNSPVYBPLAPMIX-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@]23CCC[C@@H]2C[NH2+]C3)c(Cl)c1 ZINC000601974702 346948171 /nfs/dbraw/zinc/94/81/71/346948171.db2.gz ULDFVDPTIUOPJZ-RISCZKNCSA-N 1 0 295.770 2.480 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000057838785 343638890 /nfs/dbraw/zinc/63/88/90/343638890.db2.gz BKDVIUUXLNGRFB-NSHDSACASA-N 1 0 294.311 2.033 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000057838858 343639000 /nfs/dbraw/zinc/63/90/00/343639000.db2.gz OTSIOPIECGMCGX-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057159892 343625850 /nfs/dbraw/zinc/62/58/50/343625850.db2.gz GTXAPSWCLXHEGV-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000067701877 343742125 /nfs/dbraw/zinc/74/21/25/343742125.db2.gz UJZYHOVXUVXUAH-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000602133708 346980786 /nfs/dbraw/zinc/98/07/86/346980786.db2.gz RELQMJFPIGZXAZ-LLVKDONJSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000602133709 346980788 /nfs/dbraw/zinc/98/07/88/346980788.db2.gz RELQMJFPIGZXAZ-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602174301 346988357 /nfs/dbraw/zinc/98/83/57/346988357.db2.gz TVMLXSLJFMGLPY-QWHCGFSZSA-N 1 0 291.351 2.053 20 5 CEBDRO COc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000078262488 343944867 /nfs/dbraw/zinc/94/48/67/343944867.db2.gz HJDKPBHNLBPTCA-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000449638019 282314066 /nfs/dbraw/zinc/31/40/66/282314066.db2.gz IYGLWNVSYZKMOI-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])nc1 ZINC000078455980 343953359 /nfs/dbraw/zinc/95/33/59/343953359.db2.gz SIWXDNSCDUCPDS-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCCC[C@@H]1C ZINC000048559513 362283725 /nfs/dbraw/zinc/28/37/25/362283725.db2.gz QEYYACHUZIGROW-QWRGUYRKSA-N 1 0 281.360 2.003 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000078744997 343963019 /nfs/dbraw/zinc/96/30/19/343963019.db2.gz KTDLEAMKKUYBLG-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000449649661 282319143 /nfs/dbraw/zinc/31/91/43/282319143.db2.gz SFADTMHUDBOOQY-WCQYABFASA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]([NH2+]CCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000049075134 362333001 /nfs/dbraw/zinc/33/30/01/362333001.db2.gz WEUFUVGQRBIUTB-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000085334241 344094589 /nfs/dbraw/zinc/09/45/89/344094589.db2.gz DDVJJLGMLWMWPW-HOTGVXAUSA-N 1 0 284.315 2.343 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090909870 344146745 /nfs/dbraw/zinc/14/67/45/344146745.db2.gz MYMLENIVPMIGLD-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602433956 347031594 /nfs/dbraw/zinc/03/15/94/347031594.db2.gz UZJJPAZTIITYFO-LBPRGKRZSA-N 1 0 265.313 2.297 20 5 CEBDRO CCC1(CC)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469674 347045639 /nfs/dbraw/zinc/04/56/39/347045639.db2.gz VQWLPHLXFFKPJB-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000129266932 344342650 /nfs/dbraw/zinc/34/26/50/344342650.db2.gz OAZKUQNURXYUFL-WCBMZHEXSA-N 1 0 297.742 2.200 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000121382657 344302542 /nfs/dbraw/zinc/30/25/42/344302542.db2.gz YEDOBNMGLROUKF-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO C[N@H+](CCNc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000134585118 344376004 /nfs/dbraw/zinc/37/60/04/344376004.db2.gz ROALZGWNQMEGHN-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000137114215 344386910 /nfs/dbraw/zinc/38/69/10/344386910.db2.gz UMDGIDUMAXZCFP-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161313285 344463783 /nfs/dbraw/zinc/46/37/83/344463783.db2.gz USMSMEZXWKSYCI-UHFFFAOYSA-N 1 0 298.346 2.312 20 5 CEBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163155 362407203 /nfs/dbraw/zinc/40/72/03/362407203.db2.gz FDLLNFTZKBIXEQ-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000227920285 344557559 /nfs/dbraw/zinc/55/75/59/344557559.db2.gz RONPNAMPQMZRMA-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000228560295 344560825 /nfs/dbraw/zinc/56/08/25/344560825.db2.gz INRNLSWKOLICQD-JTQLQIEISA-N 1 0 260.253 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCC(F)F)cc1 ZINC000236135232 344594316 /nfs/dbraw/zinc/59/43/16/344594316.db2.gz CXBIDCUHVBHCOF-UHFFFAOYSA-N 1 0 274.267 2.009 20 5 CEBDRO COC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821252 344660048 /nfs/dbraw/zinc/66/00/48/344660048.db2.gz SDDMYZVIAHCLFM-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000277318903 344671497 /nfs/dbraw/zinc/67/14/97/344671497.db2.gz DHHSJFXAZFMQLQ-WFASDCNBSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000602515986 347063535 /nfs/dbraw/zinc/06/35/35/347063535.db2.gz FSFYKAXZFJIAAV-AAEUAGOBSA-N 1 0 291.351 2.132 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000311085588 344732663 /nfs/dbraw/zinc/73/26/63/344732663.db2.gz OQXWIXXYQWXBAG-SNVBAGLBSA-N 1 0 252.318 2.130 20 5 CEBDRO CCC[C@H]([NH2+]C1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000314484973 344746023 /nfs/dbraw/zinc/74/60/23/344746023.db2.gz ICGTUQCTLMITEQ-HNNXBMFYSA-N 1 0 294.351 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c(F)c1 ZINC000293317178 344691836 /nfs/dbraw/zinc/69/18/36/344691836.db2.gz XKCWRYFZCGMBPP-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO COc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC000602527821 347067216 /nfs/dbraw/zinc/06/72/16/347067216.db2.gz HKKCGLMZKUKECF-GFCCVEGCSA-N 1 0 280.324 2.262 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602545817 347071799 /nfs/dbraw/zinc/07/17/99/347071799.db2.gz PZDMDOQRBVXSDT-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000602543803 347070927 /nfs/dbraw/zinc/07/09/27/347070927.db2.gz KVZCSUZPYIYCJN-VHSXEESVSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555776 347075232 /nfs/dbraw/zinc/07/52/32/347075232.db2.gz IVKMNZMOCKRQTK-MRVPVSSYSA-N 1 0 292.257 2.474 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000404398744 344880350 /nfs/dbraw/zinc/88/03/50/344880350.db2.gz PZBNVRGNEJLCKR-FZMZJTMJSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577088 347085794 /nfs/dbraw/zinc/08/57/94/347085794.db2.gz RLAJSADLGFRQTF-VHSXEESVSA-N 1 0 291.307 2.393 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]12 ZINC000584771365 344984855 /nfs/dbraw/zinc/98/48/55/344984855.db2.gz HLSOZARZJCKJGE-TUKIKUTGSA-N 1 0 298.346 2.317 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000589205344 345071600 /nfs/dbraw/zinc/07/16/00/345071600.db2.gz WUPXZLODQJAGGE-OAHLLOKOSA-N 1 0 296.367 2.121 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000589502420 345085136 /nfs/dbraw/zinc/08/51/36/345085136.db2.gz SWNZDWCORMMGIH-PHIMTYICSA-N 1 0 292.335 2.469 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589106951 345065880 /nfs/dbraw/zinc/06/58/80/345065880.db2.gz MRUHLUZSTWDTAA-SNVBAGLBSA-N 1 0 298.774 2.209 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590010790 345109998 /nfs/dbraw/zinc/10/99/98/345109998.db2.gz UJDYCTLZSJGCRE-OTYXRUKQSA-N 1 0 297.305 2.009 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591439287 345254799 /nfs/dbraw/zinc/25/47/99/345254799.db2.gz SLFKBLXMDPILPG-VXGBXAGGSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591438639 345254910 /nfs/dbraw/zinc/25/49/10/345254910.db2.gz OULZQVOPQGCALC-IAQYHMDHSA-N 1 0 298.346 2.331 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CCCC1 ZINC000591138843 345223732 /nfs/dbraw/zinc/22/37/32/345223732.db2.gz BCQHIPPGNKBWQN-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1=CCCC1)CC2 ZINC000592096682 345321488 /nfs/dbraw/zinc/32/14/88/345321488.db2.gz BDMAQFXKCSMZFM-UHFFFAOYSA-N 1 0 259.309 2.458 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591673128 345273072 /nfs/dbraw/zinc/27/30/72/345273072.db2.gz OOUWOWHMEGJGQW-ZWNOBZJWSA-N 1 0 291.351 2.078 20 5 CEBDRO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427761 345351995 /nfs/dbraw/zinc/35/19/95/345351995.db2.gz ZDQUCQYUOMMTSC-UONOGXRCSA-N 1 0 277.368 2.462 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493965 345360045 /nfs/dbraw/zinc/36/00/45/345360045.db2.gz MEHFMVARPGRXDC-CYBMUJFWSA-N 1 0 275.352 2.169 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127398771 187302716 /nfs/dbraw/zinc/30/27/16/187302716.db2.gz FYXNBJBDLFTRBP-AWEZNQCLSA-N 1 0 297.330 2.227 20 5 CEBDRO C[C@H](CO)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000593084600 345436085 /nfs/dbraw/zinc/43/60/85/345436085.db2.gz SMRVWJCWOODWFU-GFCCVEGCSA-N 1 0 278.352 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000127436242 187305776 /nfs/dbraw/zinc/30/57/76/187305776.db2.gz XEESMOXYXHLGQY-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593693771 345522506 /nfs/dbraw/zinc/52/25/06/345522506.db2.gz CUFYQFMANMNBHT-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC(C)C1 ZINC000594215483 345598835 /nfs/dbraw/zinc/59/88/35/345598835.db2.gz QITOXBXCCQYJPQ-NSHDSACASA-N 1 0 277.324 2.182 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126365422 232209377 /nfs/dbraw/zinc/20/93/77/232209377.db2.gz YGLUHRSVFGLKDR-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594615720 345662657 /nfs/dbraw/zinc/66/26/57/345662657.db2.gz PPDOAWLZUBJZQA-NSHDSACASA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCC[C@@H]2CCO2)c1 ZINC000602580366 347087141 /nfs/dbraw/zinc/08/71/41/347087141.db2.gz MUPSJXWROMDGPY-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C\CO ZINC000595074883 345740130 /nfs/dbraw/zinc/74/01/30/345740130.db2.gz XKOHQMUJPACPKL-BYCRGOAPSA-N 1 0 250.298 2.102 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](O)C1)CCC2 ZINC000595101246 345741954 /nfs/dbraw/zinc/74/19/54/345741954.db2.gz CMYQHXHFAQWSEY-MPKXVKKWSA-N 1 0 262.309 2.085 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@H]1CCO ZINC000595307895 345759450 /nfs/dbraw/zinc/75/94/50/345759450.db2.gz NAHFGFPKTFHGCY-ZDUSSCGKSA-N 1 0 282.315 2.471 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595232987 345746788 /nfs/dbraw/zinc/74/67/88/345746788.db2.gz NZWBWTJWIVWSSP-UHFFFAOYSA-N 1 0 294.355 2.358 20 5 CEBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595288270 345754421 /nfs/dbraw/zinc/75/44/21/345754421.db2.gz MRDPXSQBBKJWKM-HIFRSBDPSA-N 1 0 294.351 2.078 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000594971172 345719689 /nfs/dbraw/zinc/71/96/89/345719689.db2.gz XLNSKMZAYUDZDC-NSHDSACASA-N 1 0 272.251 2.109 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(F)c1 ZINC000594983535 345721509 /nfs/dbraw/zinc/72/15/09/345721509.db2.gz OYEMNDSQFUPIMX-NSHDSACASA-N 1 0 282.315 2.232 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594994504 345723391 /nfs/dbraw/zinc/72/33/91/345723391.db2.gz HDPGNMCNZKRORG-LBPRGKRZSA-N 1 0 264.325 2.500 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020791 345729043 /nfs/dbraw/zinc/72/90/43/345729043.db2.gz NTDYMVLQEDZGJW-CMPLNLGQSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000595035771 345732024 /nfs/dbraw/zinc/73/20/24/345732024.db2.gz MJLVAIVUJSDOBY-CYBMUJFWSA-N 1 0 276.336 2.439 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000595041482 345733666 /nfs/dbraw/zinc/73/36/66/345733666.db2.gz MBFUETFWQWOAAM-TUAOUCFPSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O ZINC000595041485 345733680 /nfs/dbraw/zinc/73/36/80/345733680.db2.gz MCWVZNRJPYGCAL-CWSCBRNRSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCO ZINC000595052459 345735256 /nfs/dbraw/zinc/73/52/56/345735256.db2.gz XIJOVTOISSDNHW-SNVBAGLBSA-N 1 0 268.313 2.027 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000595051636 345735496 /nfs/dbraw/zinc/73/54/96/345735496.db2.gz QKWHROYFHWKKQE-JTQLQIEISA-N 1 0 290.323 2.220 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)C1CCC1 ZINC000595056178 345736165 /nfs/dbraw/zinc/73/61/65/345736165.db2.gz BVNKUSSSTAPPMQ-UONOGXRCSA-N 1 0 276.336 2.333 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000595068073 345738533 /nfs/dbraw/zinc/73/85/33/345738533.db2.gz ODLMRXYGRYACGX-MNOVXSKESA-N 1 0 294.351 2.415 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000595397662 345774640 /nfs/dbraw/zinc/77/46/40/345774640.db2.gz QGABLLXRXFKSKS-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494888 345795763 /nfs/dbraw/zinc/79/57/63/345795763.db2.gz CVLVFYDDXQEPFE-JTQLQIEISA-N 1 0 270.304 2.327 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC3(COC3)C2)ccc1[N+](=O)[O-] ZINC000595832754 345890057 /nfs/dbraw/zinc/89/00/57/345890057.db2.gz IBIJAOWDVOKFHY-UHFFFAOYSA-N 1 0 292.335 2.216 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835833 345892206 /nfs/dbraw/zinc/89/22/06/345892206.db2.gz WALHWFJNNUHCHI-WDEREUQCSA-N 1 0 280.299 2.202 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757458 345868246 /nfs/dbraw/zinc/86/82/46/345868246.db2.gz JLVXYLFQFWFNJD-OCCSQVGLSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757098 345868635 /nfs/dbraw/zinc/86/86/35/345868635.db2.gz ZDRXFDOFGFUENM-JSGCOSHPSA-N 1 0 262.309 2.063 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595766504 345871422 /nfs/dbraw/zinc/87/14/22/345871422.db2.gz WXOOBNVUYUEXGA-CQSZACIVSA-N 1 0 291.351 2.336 20 5 CEBDRO C[C@H]([NH2+]CCOCCF)c1ccc([N+](=O)[O-])cc1 ZINC000596052745 345929066 /nfs/dbraw/zinc/92/90/66/345929066.db2.gz WUPJXQRAJVGCQG-JTQLQIEISA-N 1 0 256.277 2.232 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907382 345910966 /nfs/dbraw/zinc/91/09/66/345910966.db2.gz UASGYXVPKYSSMR-ZWKOPEQDSA-N 1 0 267.304 2.027 20 5 CEBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000595985318 345921205 /nfs/dbraw/zinc/92/12/05/345921205.db2.gz ZYVQYWQRJCDFEU-SNVBAGLBSA-N 1 0 279.340 2.056 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCCF ZINC000596095063 345938572 /nfs/dbraw/zinc/93/85/72/345938572.db2.gz NYZGFJNTZWNSNJ-SNVBAGLBSA-N 1 0 286.303 2.240 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596112992 345942670 /nfs/dbraw/zinc/94/26/70/345942670.db2.gz YZBUAOFLIZVVMC-VIFPVBQESA-N 1 0 255.343 2.328 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+](C)C)[C@H]2C)n1 ZINC000596246495 345979308 /nfs/dbraw/zinc/97/93/08/345979308.db2.gz WEYNUHWMZYXFRY-NEPJUHHUSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1cc(NCCN2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433991 346022577 /nfs/dbraw/zinc/02/25/77/346022577.db2.gz WCNXOMWLJMVEGM-NXEZZACHSA-N 1 0 299.396 2.486 20 5 CEBDRO Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596482415 346035048 /nfs/dbraw/zinc/03/50/48/346035048.db2.gz RYABIBWFUFXHLO-MEDUHNTESA-N 1 0 299.330 2.413 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597047902 346120475 /nfs/dbraw/zinc/12/04/75/346120475.db2.gz RXMWQVVWTWJIRA-JSGCOSHPSA-N 1 0 262.309 2.252 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000062010097 362702109 /nfs/dbraw/zinc/70/21/09/362702109.db2.gz MXGLHFPAZOWITI-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062856224 362725240 /nfs/dbraw/zinc/72/52/40/362725240.db2.gz PTAQGNFKTNIAFK-XHDPSFHLSA-N 1 0 291.351 2.162 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000599018076 346446788 /nfs/dbraw/zinc/44/67/88/346446788.db2.gz UUPRMZRTWSVEQJ-TXEJJXNPSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913208 346433283 /nfs/dbraw/zinc/43/32/83/346433283.db2.gz FEXOBAPMMKLQGG-VIFPVBQESA-N 1 0 298.318 2.373 20 5 CEBDRO C[C@@H]1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602592406 347091391 /nfs/dbraw/zinc/09/13/91/347091391.db2.gz FCEZHNITCQUTFZ-CYBMUJFWSA-N 1 0 277.368 2.069 20 5 CEBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599086915 346458590 /nfs/dbraw/zinc/45/85/90/346458590.db2.gz BGJKUKGDFRNOCY-CYBMUJFWSA-N 1 0 285.303 2.473 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000599138904 346466209 /nfs/dbraw/zinc/46/62/09/346466209.db2.gz JVVNHTWJEPJHOW-JTQLQIEISA-N 1 0 298.774 2.209 20 5 CEBDRO Cc1sc(C(=O)NC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000602604758 347097149 /nfs/dbraw/zinc/09/71/49/347097149.db2.gz XQUDRVXPTWLGBU-UHFFFAOYSA-N 1 0 297.380 2.356 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599589742 346543103 /nfs/dbraw/zinc/54/31/03/346543103.db2.gz UMYPBMCRGUMMOG-ZYHUDNBSSA-N 1 0 292.339 2.165 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599590478 346543361 /nfs/dbraw/zinc/54/33/61/346543361.db2.gz XWQSOOXZDQCGRR-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO C/C=C\C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599691947 346568596 /nfs/dbraw/zinc/56/85/96/346568596.db2.gz VEKQUKLTPJRIIQ-XQJDBVBESA-N 1 0 278.356 2.470 20 5 CEBDRO C/C=C\C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690706 346568645 /nfs/dbraw/zinc/56/86/45/346568645.db2.gz PJZMUESAOFRQPD-XQJDBVBESA-N 1 0 278.356 2.470 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000600313501 346633717 /nfs/dbraw/zinc/63/37/17/346633717.db2.gz YLCOVEINWJBRSN-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681652 346672639 /nfs/dbraw/zinc/67/26/39/346672639.db2.gz ZVYJEIYTKVOIQH-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000600887694 346704556 /nfs/dbraw/zinc/70/45/56/346704556.db2.gz RKMNXCHBTVINAW-RYUDHWBXSA-N 1 0 291.351 2.182 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185532 346780320 /nfs/dbraw/zinc/78/03/20/346780320.db2.gz WRNPQUOGEPGXFV-ZJUUUORDSA-N 1 0 267.354 2.044 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000601184782 346779878 /nfs/dbraw/zinc/77/98/78/346779878.db2.gz OBUBBMSUHXVBOU-NEPJUHHUSA-N 1 0 293.342 2.430 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184775 346779898 /nfs/dbraw/zinc/77/98/98/346779898.db2.gz NTQNKLVPFXPVDI-ZJUUUORDSA-N 1 0 296.758 2.031 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601110737 346755683 /nfs/dbraw/zinc/75/56/83/346755683.db2.gz HPSZHURAYYHWQJ-UHFFFAOYSA-N 1 0 288.351 2.317 20 5 CEBDRO CCCC[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602673704 347136000 /nfs/dbraw/zinc/13/60/00/347136000.db2.gz BMNWNPIHBMKAPO-JTQLQIEISA-N 1 0 254.334 2.339 20 5 CEBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602677097 347139449 /nfs/dbraw/zinc/13/94/49/347139449.db2.gz SFPVURCCKPWICV-NEPJUHHUSA-N 1 0 278.356 2.339 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602654533 347125819 /nfs/dbraw/zinc/12/58/19/347125819.db2.gz MWTVOSXLAJNTCF-JSGCOSHPSA-N 1 0 278.352 2.400 20 5 CEBDRO [NH3+]CCN(CCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000602659719 347128553 /nfs/dbraw/zinc/12/85/53/347128553.db2.gz RGNRYDNZKLAWBU-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602660611 347128758 /nfs/dbraw/zinc/12/87/58/347128758.db2.gz GMEXNXKRVKBAMA-PHIMTYICSA-N 1 0 291.307 2.345 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(C)(C)C ZINC000602771141 347191350 /nfs/dbraw/zinc/19/13/50/347191350.db2.gz DQESKXNGXUVXBU-UHFFFAOYSA-N 1 0 254.334 2.078 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000602796260 347202224 /nfs/dbraw/zinc/20/22/24/347202224.db2.gz DYKHPKBOIVOUNQ-NSHDSACASA-N 1 0 289.339 2.188 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804597 347206903 /nfs/dbraw/zinc/20/69/03/347206903.db2.gz KEEQNPHVVKBTRN-WDEREUQCSA-N 1 0 287.323 2.024 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000602809229 347208411 /nfs/dbraw/zinc/20/84/11/347208411.db2.gz OWZHGCIWWUEMFV-LLVKDONJSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1csc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602813038 347210030 /nfs/dbraw/zinc/21/00/30/347210030.db2.gz WGZVIAGZEORGAJ-SECBINFHSA-N 1 0 295.368 2.215 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187317 347303392 /nfs/dbraw/zinc/30/33/92/347303392.db2.gz RHPMKPLHIZASGD-ZDUSSCGKSA-N 1 0 289.339 2.281 20 5 CEBDRO Cc1cc(NC[C@@H]2CSCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000603419379 347365833 /nfs/dbraw/zinc/36/58/33/347365833.db2.gz NDFWHISWJVQIAR-SECBINFHSA-N 1 0 285.344 2.159 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000603854280 347392538 /nfs/dbraw/zinc/39/25/38/347392538.db2.gz OWRCPUUOUKAJMW-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000604561526 347423819 /nfs/dbraw/zinc/42/38/19/347423819.db2.gz ASZXYTVDDGFQGW-GFCCVEGCSA-N 1 0 291.351 2.197 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604561695 347423840 /nfs/dbraw/zinc/42/38/40/347423840.db2.gz QOIQFDWHENVHLT-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000568511454 299140849 /nfs/dbraw/zinc/14/08/49/299140849.db2.gz MUCYGVCGDJBMBH-VHSXEESVSA-N 1 0 280.328 2.151 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000336831664 365896309 /nfs/dbraw/zinc/89/63/09/365896309.db2.gz JXRXMVIKAHQMSN-SNVBAGLBSA-N 1 0 280.328 2.234 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000609316878 347634519 /nfs/dbraw/zinc/63/45/19/347634519.db2.gz BKTNJGZGUUJRKT-UHFFFAOYSA-N 1 0 296.367 2.314 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000609483435 347640636 /nfs/dbraw/zinc/64/06/36/347640636.db2.gz ANLZWCHTMSECLD-UHFFFAOYSA-N 1 0 280.368 2.478 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585253 347694438 /nfs/dbraw/zinc/69/44/38/347694438.db2.gz HNMKCNDODRXQJD-RYUDHWBXSA-N 1 0 262.309 2.458 20 5 CEBDRO CC(C)([NH3+])CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450325694 282554561 /nfs/dbraw/zinc/55/45/61/282554561.db2.gz FDARKQFGIXKOHL-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084819 347737814 /nfs/dbraw/zinc/73/78/14/347737814.db2.gz XHPOPLMZOLEZEN-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611091803 347738862 /nfs/dbraw/zinc/73/88/62/347738862.db2.gz RQFJPXDYPGRRKR-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612134769 347848297 /nfs/dbraw/zinc/84/82/97/347848297.db2.gz CRALIIMQZZFCIC-BQPHKTIFSA-N 1 0 276.336 2.359 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336848592 365923934 /nfs/dbraw/zinc/92/39/34/365923934.db2.gz LIQDZWRWOSTHAN-RYUDHWBXSA-N 1 0 293.371 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000612577362 347903495 /nfs/dbraw/zinc/90/34/95/347903495.db2.gz AFFDJOALXOUSBY-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000339386178 215137814 /nfs/dbraw/zinc/13/78/14/215137814.db2.gz WXJVAQOYZDUYQD-QMMMGPOBSA-N 1 0 279.300 2.029 20 5 CEBDRO CCOC(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000351914628 219246525 /nfs/dbraw/zinc/24/65/25/219246525.db2.gz AWVSYPXXEYISPP-UHFFFAOYSA-N 1 0 278.308 2.028 20 5 CEBDRO CSc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000295149154 199372854 /nfs/dbraw/zinc/37/28/54/199372854.db2.gz CMZYGFNGBZMHEP-SECBINFHSA-N 1 0 297.380 2.174 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000614711732 348230690 /nfs/dbraw/zinc/23/06/90/348230690.db2.gz OIOXKGMRBQZFGA-CHWSQXEVSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000128905576 187397781 /nfs/dbraw/zinc/39/77/81/187397781.db2.gz ZPQSHFDCSUJLLS-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357125716 233010705 /nfs/dbraw/zinc/01/07/05/233010705.db2.gz WBSGLFBLFIJPKC-SZWGIHMLSA-N 1 0 287.363 2.149 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)[C@H](C)O ZINC000273396304 192136958 /nfs/dbraw/zinc/13/69/58/192136958.db2.gz KWKSDRINKRKKQJ-JTQLQIEISA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357388356 233060990 /nfs/dbraw/zinc/06/09/90/233060990.db2.gz INLBGAUYWZOBNU-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC3(CCC3)CC2)n1 ZINC000411867018 233294255 /nfs/dbraw/zinc/29/42/55/233294255.db2.gz IIOFIDOQRQBJMQ-UHFFFAOYSA-N 1 0 296.396 2.153 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982700 233309566 /nfs/dbraw/zinc/30/95/66/233309566.db2.gz BOKSTGRSLAIVHC-LNSITVRQSA-N 1 0 294.351 2.033 20 5 CEBDRO CCc1nn(C)c(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000091561466 180191857 /nfs/dbraw/zinc/19/18/57/180191857.db2.gz HUVPCXJPYBIXSH-UHFFFAOYSA-N 1 0 295.387 2.179 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026867 180308824 /nfs/dbraw/zinc/30/88/24/180308824.db2.gz FFUVLTWJZVMMEU-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cnn(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105881388 186082762 /nfs/dbraw/zinc/08/27/62/186082762.db2.gz SLNLSSLBHMPMDZ-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO COC1CC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000352223580 219369318 /nfs/dbraw/zinc/36/93/18/219369318.db2.gz WRCQHQXBFMFENF-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000110490164 186299411 /nfs/dbraw/zinc/29/94/11/186299411.db2.gz VYZUTRMEMPFTCZ-NEPJUHHUSA-N 1 0 295.314 2.009 20 5 CEBDRO Cc1c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074624 363027474 /nfs/dbraw/zinc/02/74/74/363027474.db2.gz WFWVRLNJSVWLIS-OCCSQVGLSA-N 1 0 277.368 2.462 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000070148352 363037051 /nfs/dbraw/zinc/03/70/51/363037051.db2.gz CIABZYRARYYBJR-CYBMUJFWSA-N 1 0 263.341 2.298 20 5 CEBDRO C[NH2+]CCC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000070189192 363051242 /nfs/dbraw/zinc/05/12/42/363051242.db2.gz NQVOUQYDGPBFBG-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccnc(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000070496035 363091556 /nfs/dbraw/zinc/09/15/56/363091556.db2.gz VMBOYKIMGHWELB-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070574050 363096670 /nfs/dbraw/zinc/09/66/70/363096670.db2.gz BOOZRVRKNOZIPI-UWVGGRQHSA-N 1 0 263.297 2.051 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243809 187080424 /nfs/dbraw/zinc/08/04/24/187080424.db2.gz PGPHMGWGCAOAMX-VXGBXAGGSA-N 1 0 291.351 2.430 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291936143 198110223 /nfs/dbraw/zinc/11/02/23/198110223.db2.gz TVXHLJYDMHBMID-HUUCEWRRSA-N 1 0 294.351 2.128 20 5 CEBDRO CSCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665173 363155868 /nfs/dbraw/zinc/15/58/68/363155868.db2.gz KOWDPKKDSUYSQL-LLVKDONJSA-N 1 0 296.396 2.229 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858093 363171191 /nfs/dbraw/zinc/17/11/91/363171191.db2.gz VRAQVXYPDYMLQT-ZDUSSCGKSA-N 1 0 277.368 2.368 20 5 CEBDRO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873078 363173835 /nfs/dbraw/zinc/17/38/35/363173835.db2.gz HDHPUBPMXDPHBN-GHMZBOCLSA-N 1 0 277.324 2.121 20 5 CEBDRO Cc1cc(NCC[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000073000400 363191191 /nfs/dbraw/zinc/19/11/91/363191191.db2.gz NBEDYSIEIHYPIX-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295169132 199383994 /nfs/dbraw/zinc/38/39/94/199383994.db2.gz FUNCNZQLOVTCOF-SECBINFHSA-N 1 0 293.348 2.277 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000295174347 199388498 /nfs/dbraw/zinc/38/84/98/199388498.db2.gz GQXLIRXRRGQZDM-SECBINFHSA-N 1 0 297.380 2.174 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295181355 199391201 /nfs/dbraw/zinc/39/12/01/199391201.db2.gz HNRIXNOLZQZBQE-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C ZINC000276448870 295873085 /nfs/dbraw/zinc/87/30/85/295873085.db2.gz MOHKRZVCKRQIDE-LBPRGKRZSA-N 1 0 265.357 2.067 20 5 CEBDRO CNC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000074334022 363326172 /nfs/dbraw/zinc/32/61/72/363326172.db2.gz RZWYLLWIMATUBW-UHFFFAOYSA-N 1 0 299.330 2.244 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000293343007 198606225 /nfs/dbraw/zinc/60/62/25/198606225.db2.gz JMLNTFYSDXMBDL-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451489701 283007908 /nfs/dbraw/zinc/00/79/08/283007908.db2.gz CVBHGZIALPCTHE-NEPJUHHUSA-N 1 0 296.371 2.010 20 5 CEBDRO CC(C)c1ccc(C[N@H+](C)CCOCCO)cc1[N+](=O)[O-] ZINC000337541421 366160743 /nfs/dbraw/zinc/16/07/43/366160743.db2.gz KWEGHMCTMBCXRH-UHFFFAOYSA-N 1 0 296.367 2.159 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271753351 191306182 /nfs/dbraw/zinc/30/61/82/191306182.db2.gz ZDBSCHHIMCBAEQ-UHFFFAOYSA-N 1 0 292.314 2.453 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074768191 363387535 /nfs/dbraw/zinc/38/75/35/363387535.db2.gz ACGNBRKUCAHPLI-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000451783547 283104069 /nfs/dbraw/zinc/10/40/69/283104069.db2.gz BUUWESLEOSVPMY-OLZOCXBDSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273570079 192208541 /nfs/dbraw/zinc/20/85/41/192208541.db2.gz DEQNXPUTKIFFHA-RYUDHWBXSA-N 1 0 293.371 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2ccnc2)C2CC2)cc1 ZINC000133777690 366254349 /nfs/dbraw/zinc/25/43/49/366254349.db2.gz VDDXFDCQRXKRPI-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133830396 366259632 /nfs/dbraw/zinc/25/96/32/366259632.db2.gz NKHHACYCKQRJKB-MBNYWOFBSA-N 1 0 293.367 2.012 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134902875 366371460 /nfs/dbraw/zinc/37/14/60/366371460.db2.gz MVXPTXYPEMJIGX-NSHDSACASA-N 1 0 279.340 2.500 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570570574 299265618 /nfs/dbraw/zinc/26/56/18/299265618.db2.gz WAEWQUQBFMBKMS-HNNXBMFYSA-N 1 0 275.352 2.170 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000294537837 199077431 /nfs/dbraw/zinc/07/74/31/199077431.db2.gz AERZNCBVGUQEIN-CYBMUJFWSA-N 1 0 280.324 2.131 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414480898 236378396 /nfs/dbraw/zinc/37/83/96/236378396.db2.gz KPGYNDKWTUJHES-LLVKDONJSA-N 1 0 282.340 2.366 20 5 CEBDRO C[C@@H]1C[C@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414521322 236398123 /nfs/dbraw/zinc/39/81/23/236398123.db2.gz FJBBYWGDMWRTST-HRLNJXSSSA-N 1 0 276.336 2.311 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135256486 366415966 /nfs/dbraw/zinc/41/59/66/366415966.db2.gz NQCFFZIFJHTTMN-JTQLQIEISA-N 1 0 270.716 2.469 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465682 366443529 /nfs/dbraw/zinc/44/35/29/366443529.db2.gz PRSXVBCRTDROST-ZWNOBZJWSA-N 1 0 252.314 2.262 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468458 366444461 /nfs/dbraw/zinc/44/44/61/366444461.db2.gz MQXBIYOUKNYPRW-DCAQKATOSA-N 1 0 252.314 2.262 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465097 366444490 /nfs/dbraw/zinc/44/44/90/366444490.db2.gz HGQXBSHOIWBKND-GWCFXTLKSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415479142 236674719 /nfs/dbraw/zinc/67/47/19/236674719.db2.gz DXMNOJKCIBVSFQ-NSHDSACASA-N 1 0 292.339 2.070 20 5 CEBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCOC1 ZINC000177211066 189036796 /nfs/dbraw/zinc/03/67/96/189036796.db2.gz ZEHJYBVGRDNFMW-SNVBAGLBSA-N 1 0 291.307 2.204 20 5 CEBDRO COC(=O)[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177447897 189051983 /nfs/dbraw/zinc/05/19/83/189051983.db2.gz ZFLOQYMSLCOMDA-OAHLLOKOSA-N 1 0 292.335 2.022 20 5 CEBDRO CC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178710620 189139144 /nfs/dbraw/zinc/13/91/44/189139144.db2.gz GGPOTGWGZSHHJV-UHFFFAOYSA-N 1 0 293.348 2.149 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300638959 200900841 /nfs/dbraw/zinc/90/08/41/200900841.db2.gz MNWGIXSHEUHHDY-KGLIPLIRSA-N 1 0 294.351 2.377 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414394 189254102 /nfs/dbraw/zinc/25/41/02/189254102.db2.gz MVKFXZOLEDGEBX-RISCZKNCSA-N 1 0 282.340 2.031 20 5 CEBDRO Cc1nn(C)c(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000301096484 200913927 /nfs/dbraw/zinc/91/39/27/200913927.db2.gz KLAFWNIYSJOAPT-UHFFFAOYSA-N 1 0 295.387 2.361 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000181162883 189289822 /nfs/dbraw/zinc/28/98/22/189289822.db2.gz FYWNIEOGKUVRAI-UKRRQHHQSA-N 1 0 275.352 2.121 20 5 CEBDRO COc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301433206 201007397 /nfs/dbraw/zinc/00/73/97/201007397.db2.gz VZWJOCBOBWKQDS-CYBMUJFWSA-N 1 0 291.351 2.278 20 5 CEBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])cn1)C(C)C ZINC000301460691 201017076 /nfs/dbraw/zinc/01/70/76/201017076.db2.gz YOLFOZDIZBZLCC-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000154054335 366753573 /nfs/dbraw/zinc/75/35/73/366753573.db2.gz LCWMOAGRFRLVQD-HNNXBMFYSA-N 1 0 276.336 2.250 20 5 CEBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183246564 189351784 /nfs/dbraw/zinc/35/17/84/189351784.db2.gz ZOYHUBOAFLXPPS-ZDUSSCGKSA-N 1 0 292.335 2.288 20 5 CEBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000340164761 366786714 /nfs/dbraw/zinc/78/67/14/366786714.db2.gz SZUDIJVPXRXFEM-NWDGAFQWSA-N 1 0 278.356 2.087 20 5 CEBDRO COC[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237163475 370695701 /nfs/dbraw/zinc/69/57/01/370695701.db2.gz BSKXCIPYPGRINR-OKPNEXGHSA-N 1 0 250.298 2.233 20 5 CEBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428925 361534335 /nfs/dbraw/zinc/53/43/35/361534335.db2.gz HJPUPYWYQCWJNP-PRHODGIISA-N 1 0 265.313 2.215 20 5 CEBDRO Cc1cc(NCC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987163 201288490 /nfs/dbraw/zinc/28/84/90/201288490.db2.gz DHLYUJJRRNDBJQ-UHFFFAOYSA-N 1 0 274.324 2.425 20 5 CEBDRO CCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000088147746 363879387 /nfs/dbraw/zinc/87/93/87/363879387.db2.gz OYQNIVCLSKZSOZ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000088288494 363888035 /nfs/dbraw/zinc/88/80/35/363888035.db2.gz FXRRHCCJAREZOA-ZDUSSCGKSA-N 1 0 293.367 2.222 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000089511942 363975178 /nfs/dbraw/zinc/97/51/78/363975178.db2.gz RSTQXVNZZPGSRB-NSHDSACASA-N 1 0 264.325 2.500 20 5 CEBDRO CCn1cncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000090172681 364044946 /nfs/dbraw/zinc/04/49/46/364044946.db2.gz RDJDEFJDRCSLJH-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517641 364060603 /nfs/dbraw/zinc/06/06/03/364060603.db2.gz LNXAVWWYIOSDNV-STQMWFEESA-N 1 0 293.367 2.267 20 5 CEBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000237347960 370713362 /nfs/dbraw/zinc/71/33/62/370713362.db2.gz RGJCPWQCQHKFEF-UHFFFAOYSA-N 1 0 297.380 2.036 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094797834 364296908 /nfs/dbraw/zinc/29/69/08/364296908.db2.gz SRYAVFODJRJJIF-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097439286 364500905 /nfs/dbraw/zinc/50/09/05/364500905.db2.gz CDQIADIPEPSYFU-QWRGUYRKSA-N 1 0 252.314 2.264 20 5 CEBDRO Cc1c(C(=O)N(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000103120032 364629080 /nfs/dbraw/zinc/62/90/80/364629080.db2.gz AKBYEJMVIPEJJI-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000103120344 364629266 /nfs/dbraw/zinc/62/92/66/364629266.db2.gz HQFLNYMIJPEKBO-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000110560515 364722351 /nfs/dbraw/zinc/72/23/51/364722351.db2.gz ATTXNQCQESJGJT-CYBMUJFWSA-N 1 0 293.367 2.142 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851267 364851126 /nfs/dbraw/zinc/85/11/26/364851126.db2.gz YXTNWGIKIYWSKF-ZDUSSCGKSA-N 1 0 277.324 2.408 20 5 CEBDRO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000112983264 364860518 /nfs/dbraw/zinc/86/05/18/364860518.db2.gz SFLKCEMMUSFUKG-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113364489 364890197 /nfs/dbraw/zinc/89/01/97/364890197.db2.gz MTSYSKOMYGMXMJ-NSHDSACASA-N 1 0 292.339 2.010 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118842305 365181532 /nfs/dbraw/zinc/18/15/32/365181532.db2.gz DQJIKLGLBIQCGO-CYBMUJFWSA-N 1 0 277.368 2.368 20 5 CEBDRO CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000275417579 193029095 /nfs/dbraw/zinc/02/90/95/193029095.db2.gz HEEVZSWMEAEYHM-QWHCGFSZSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000159002925 366868339 /nfs/dbraw/zinc/86/83/39/366868339.db2.gz QSWVEPFJIHBCSD-GFCCVEGCSA-N 1 0 274.324 2.360 20 5 CEBDRO C[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000120171411 365382963 /nfs/dbraw/zinc/38/29/63/365382963.db2.gz LAEAXPJJSZBCAX-YVZNUBBCSA-N 1 0 262.309 2.377 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000275822688 193138550 /nfs/dbraw/zinc/13/85/50/193138550.db2.gz KBTMVZPEHHKJQE-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CCC2(CC[NH2+]2)CC1 ZINC000582719795 366948524 /nfs/dbraw/zinc/94/85/24/366948524.db2.gz OWPFKKPAJOVVPK-UHFFFAOYSA-N 1 0 261.325 2.236 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C ZINC000245452440 370822857 /nfs/dbraw/zinc/82/28/57/370822857.db2.gz QIUWFJUXQSGHPW-GHMZBOCLSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000173049437 367863621 /nfs/dbraw/zinc/86/36/21/367863621.db2.gz HINKURNXCMQJBC-NSHDSACASA-N 1 0 293.367 2.301 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCC3)C2)nc1 ZINC000173464019 367912438 /nfs/dbraw/zinc/91/24/38/367912438.db2.gz RVDFRCBXEXURCR-GFCCVEGCSA-N 1 0 276.340 2.276 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000174649188 368051430 /nfs/dbraw/zinc/05/14/30/368051430.db2.gz OIGWKFDAFMPPGH-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000174516245 368032360 /nfs/dbraw/zinc/03/23/60/368032360.db2.gz RTTUFFVYZGHGEA-SNVBAGLBSA-N 1 0 297.380 2.070 20 5 CEBDRO Cc1ccc(CN2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346643324 368748393 /nfs/dbraw/zinc/74/83/93/368748393.db2.gz CRBXNRQEVWYZEL-NEPJUHHUSA-N 1 0 263.341 2.085 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348178329 368936395 /nfs/dbraw/zinc/93/63/95/368936395.db2.gz BOBUIGAZIJPFSO-GFCCVEGCSA-N 1 0 293.342 2.402 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000186772861 369039135 /nfs/dbraw/zinc/03/91/35/369039135.db2.gz ATVMGLTXKBMFMN-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000348545896 369081070 /nfs/dbraw/zinc/08/10/70/369081070.db2.gz LMHLCOLXCYLMRK-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO CC(C)OCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883644 369437404 /nfs/dbraw/zinc/43/74/04/369437404.db2.gz OTGQSYCVSLVQOI-CHWSQXEVSA-N 1 0 296.367 2.421 20 5 CEBDRO CC(C)OCC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896432 369443212 /nfs/dbraw/zinc/44/32/12/369443212.db2.gz QWTCYUWHDREADM-DOMZBBRYSA-N 1 0 296.367 2.421 20 5 CEBDRO Cc1ccc(C[N@@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000350074109 369497973 /nfs/dbraw/zinc/49/79/73/369497973.db2.gz KFUXDPVRIGFRDE-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350126897 369511888 /nfs/dbraw/zinc/51/18/88/369511888.db2.gz RRUMIKPAIRODLV-NSHDSACASA-N 1 0 252.318 2.056 20 5 CEBDRO CC(C)(O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189917771 369579852 /nfs/dbraw/zinc/57/98/52/369579852.db2.gz JDUXAWIGRANFAL-UHFFFAOYSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358272 369689266 /nfs/dbraw/zinc/68/92/66/369689266.db2.gz XTIOSESCAMOVFE-UHFFFAOYSA-N 1 0 288.351 2.317 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191821326 369746213 /nfs/dbraw/zinc/74/62/13/369746213.db2.gz RWODQTORMUVACP-RISCZKNCSA-N 1 0 292.335 2.226 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192470134 369816540 /nfs/dbraw/zinc/81/65/40/369816540.db2.gz ILAVGBZUOFZHEH-SNVBAGLBSA-N 1 0 284.385 2.219 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000352814439 369890879 /nfs/dbraw/zinc/89/08/79/369890879.db2.gz GKYQTKCKWOUDNI-QWRGUYRKSA-N 1 0 282.365 2.315 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C(C)(C)C ZINC000193098444 369891913 /nfs/dbraw/zinc/89/19/13/369891913.db2.gz XWAQSFYIFFUWKH-CYBMUJFWSA-N 1 0 282.340 2.100 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193465128 369944256 /nfs/dbraw/zinc/94/42/56/369944256.db2.gz GPESDNOVVICWOM-NEPJUHHUSA-N 1 0 278.356 2.462 20 5 CEBDRO C[NH2+]C[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000221282181 370239641 /nfs/dbraw/zinc/23/96/41/370239641.db2.gz HEGGASQFDLVFGO-RYUDHWBXSA-N 1 0 263.341 2.197 20 5 CEBDRO C[NH+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000217380442 370194964 /nfs/dbraw/zinc/19/49/64/370194964.db2.gz BHORPWREYHLYAU-UHFFFAOYSA-N 1 0 291.307 2.023 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000227330740 370366324 /nfs/dbraw/zinc/36/63/24/370366324.db2.gz NBAJEZMLYDPVRO-AAEUAGOBSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000231351228 370477545 /nfs/dbraw/zinc/47/75/45/370477545.db2.gz JSIAZZIYMHPDJD-LLVKDONJSA-N 1 0 252.339 2.498 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000230375731 370458462 /nfs/dbraw/zinc/45/84/62/370458462.db2.gz NVEQTQIVRWWBEH-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688417 370464978 /nfs/dbraw/zinc/46/49/78/370464978.db2.gz NOJVFSCARLRSFA-LBPRGKRZSA-N 1 0 282.340 2.100 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000236869641 370642931 /nfs/dbraw/zinc/64/29/31/370642931.db2.gz COIXBGHQDXJLSR-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246752968 371004570 /nfs/dbraw/zinc/00/45/70/371004570.db2.gz JPXRDQMEHYVTRX-IUODEOHRSA-N 1 0 294.351 2.129 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000232992830 189819285 /nfs/dbraw/zinc/81/92/85/189819285.db2.gz XFGFKHXNPYERHC-QMMMGPOBSA-N 1 0 270.358 2.241 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000235307292 189826405 /nfs/dbraw/zinc/82/64/05/189826405.db2.gz RHOPBKXZUCWLMO-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CO ZINC000249006464 371282407 /nfs/dbraw/zinc/28/24/07/371282407.db2.gz ZOMLEFKTLYFQBV-ZANVPECISA-N 1 0 284.743 2.451 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249077829 371291733 /nfs/dbraw/zinc/29/17/33/371291733.db2.gz MBCNJCBETRROGC-BXUZGUMPSA-N 1 0 292.335 2.226 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000359046248 371316437 /nfs/dbraw/zinc/31/64/37/371316437.db2.gz RFBBDZBQPROGQK-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250752455 371390643 /nfs/dbraw/zinc/39/06/43/371390643.db2.gz DXDSYVGOVQEGEN-ZDUSSCGKSA-N 1 0 289.335 2.082 20 5 CEBDRO CCC(CC)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000344032405 217020733 /nfs/dbraw/zinc/02/07/33/217020733.db2.gz PYDCPRRJWBAQMT-UHFFFAOYSA-N 1 0 254.334 2.339 20 5 CEBDRO CCc1nn(C)c(NC[C@@H](CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000360965479 371566711 /nfs/dbraw/zinc/56/67/11/371566711.db2.gz GJUZEKIWTXMZBW-LLVKDONJSA-N 1 0 295.387 2.177 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000336829534 213725757 /nfs/dbraw/zinc/72/57/57/213725757.db2.gz COKHUEYJFZABMX-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CC[NH+](CC)CCSc1ccncc1[N+](=O)[O-] ZINC000361001484 371590871 /nfs/dbraw/zinc/59/08/71/371590871.db2.gz GZPRIOGOJOXFBO-UHFFFAOYSA-N 1 0 255.343 2.424 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000261668166 371697990 /nfs/dbraw/zinc/69/79/90/371697990.db2.gz FRKGUORGBFKRMQ-CMPLNLGQSA-N 1 0 289.335 2.001 20 5 CEBDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000337335960 214014419 /nfs/dbraw/zinc/01/44/19/214014419.db2.gz LVMXLDISBZLMJF-LLVKDONJSA-N 1 0 252.314 2.498 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC=CCC1 ZINC000344072987 217038258 /nfs/dbraw/zinc/03/82/58/217038258.db2.gz SPRBBQULEHEBTN-ZDUSSCGKSA-N 1 0 291.351 2.045 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)OC ZINC000361566675 371930063 /nfs/dbraw/zinc/93/00/63/371930063.db2.gz USVMAJJNFFXMCQ-LLVKDONJSA-N 1 0 282.340 2.460 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133536 217066790 /nfs/dbraw/zinc/06/67/90/217066790.db2.gz QDFAAUVYNMPOOA-WCQYABFASA-N 1 0 264.325 2.188 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000263977577 371955306 /nfs/dbraw/zinc/95/53/06/371955306.db2.gz AHIKIACMZUDTLL-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265158657 372015543 /nfs/dbraw/zinc/01/55/43/372015543.db2.gz DIOMNHFBZATAJK-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000344390654 217178561 /nfs/dbraw/zinc/17/85/61/217178561.db2.gz XKYNFKGAWPGXCF-ZDUSSCGKSA-N 1 0 250.298 2.111 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000269653554 372521130 /nfs/dbraw/zinc/52/11/30/372521130.db2.gz MVQRFLHNCLWTBH-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775642 372562675 /nfs/dbraw/zinc/56/26/75/372562675.db2.gz DIPIRQVDAOQHRM-GXTWGEPZSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513983 220130278 /nfs/dbraw/zinc/13/02/78/220130278.db2.gz SVQNJZSASNGIKU-MFKMUULPSA-N 1 0 264.325 2.264 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270949241 373029595 /nfs/dbraw/zinc/02/95/95/373029595.db2.gz SOMTVJQHFHTTLL-WDMOLILDSA-N 1 0 264.325 2.359 20 5 CEBDRO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271036847 373084567 /nfs/dbraw/zinc/08/45/67/373084567.db2.gz LINCXLTUJZFWLB-FNORWQNLSA-N 1 0 264.325 2.311 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271071893 373103291 /nfs/dbraw/zinc/10/32/91/373103291.db2.gz FNHNITYQRKIHES-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1c[nH+]ccc1N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366501841 373073383 /nfs/dbraw/zinc/07/33/83/373073383.db2.gz CKXIEOVXPQFADT-LBPRGKRZSA-N 1 0 287.323 2.336 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N(C)C ZINC000344849221 217332185 /nfs/dbraw/zinc/33/21/85/217332185.db2.gz HVMYVVFWPJIIPM-FMIVXFBMSA-N 1 0 291.351 2.066 20 5 CEBDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275067656 374143539 /nfs/dbraw/zinc/14/35/39/374143539.db2.gz GKVQKOQBNDBVBZ-JTQLQIEISA-N 1 0 278.308 2.199 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276856135 374327483 /nfs/dbraw/zinc/32/74/83/374327483.db2.gz FRLYINIGOONSKN-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCC3)C2)n1 ZINC000373431403 374351502 /nfs/dbraw/zinc/35/15/02/374351502.db2.gz LGIJZNNVSDSCPN-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)nc1 ZINC000277459638 374528417 /nfs/dbraw/zinc/52/84/17/374528417.db2.gz OXACUGXJVUDISF-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277911792 374682298 /nfs/dbraw/zinc/68/22/98/374682298.db2.gz PMZDNFDCTBQGHJ-CMPLNLGQSA-N 1 0 280.324 2.118 20 5 CEBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368190 374850276 /nfs/dbraw/zinc/85/02/76/374850276.db2.gz WYTSLLXAKUIPKO-GWCFXTLKSA-N 1 0 291.351 2.362 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279997785 375057293 /nfs/dbraw/zinc/05/72/93/375057293.db2.gz JETGYIFKALFPSQ-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385858000 375246111 /nfs/dbraw/zinc/24/61/11/375246111.db2.gz YYWYMAVNIBPZCA-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382455263 375186263 /nfs/dbraw/zinc/18/62/63/375186263.db2.gz QBDXZWZSEBDTKI-IUCAKERBSA-N 1 0 297.742 2.248 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000408001490 375391803 /nfs/dbraw/zinc/39/18/03/375391803.db2.gz ANDHYRMVTHUKAJ-RYUDHWBXSA-N 1 0 278.356 2.483 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000408029911 375396545 /nfs/dbraw/zinc/39/65/45/375396545.db2.gz WFODJRYFGGSTAL-MNOVXSKESA-N 1 0 295.364 2.013 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000282244275 375437113 /nfs/dbraw/zinc/43/71/13/375437113.db2.gz QMCNGRFYYRHZKL-CYBMUJFWSA-N 1 0 290.367 2.242 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809854 375581114 /nfs/dbraw/zinc/58/11/14/375581114.db2.gz RGCYQMHXXBKGRZ-MNOVXSKESA-N 1 0 297.330 2.028 20 5 CEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282959564 375623292 /nfs/dbraw/zinc/62/32/92/375623292.db2.gz ZOZGDXIHIQNRHT-IAQYHMDHSA-N 1 0 292.335 2.226 20 5 CEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000283406055 375701714 /nfs/dbraw/zinc/70/17/14/375701714.db2.gz VJZRPEQVXRRCMK-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863634 375772701 /nfs/dbraw/zinc/77/27/01/375772701.db2.gz BPTNZEIWEUAQRH-KOLCDFICSA-N 1 0 267.329 2.253 20 5 CEBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162572 375820184 /nfs/dbraw/zinc/82/01/84/375820184.db2.gz PWWSYMJRWZXFDH-BHDSKKPTSA-N 1 0 281.356 2.235 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995716 375793083 /nfs/dbraw/zinc/79/30/83/375793083.db2.gz HOJOBAKNBKXYAN-QMTHXVAHSA-N 1 0 281.356 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000414653889 375903150 /nfs/dbraw/zinc/90/31/50/375903150.db2.gz FINCIHSZSWKVBI-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414662965 375906354 /nfs/dbraw/zinc/90/63/54/375906354.db2.gz RSHGLDXHJZSJIY-WDEREUQCSA-N 1 0 292.339 2.295 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000414577679 375866959 /nfs/dbraw/zinc/86/69/59/375866959.db2.gz OZEFFZJPJNPQKJ-JQWIXIFHSA-N 1 0 282.315 2.375 20 5 CEBDRO CN(CC[NH2+]C(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000414759585 375953444 /nfs/dbraw/zinc/95/34/44/375953444.db2.gz FGIKZEZUKDOXPS-UHFFFAOYSA-N 1 0 279.384 2.457 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414766168 375957923 /nfs/dbraw/zinc/95/79/23/375957923.db2.gz HARHXSRMMVPWAL-IAQYHMDHSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414766166 375958016 /nfs/dbraw/zinc/95/80/16/375958016.db2.gz HARHXSRMMVPWAL-ABAIWWIYSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000414777867 375963169 /nfs/dbraw/zinc/96/31/69/375963169.db2.gz OZVPLADZNHJEMU-AWEZNQCLSA-N 1 0 281.331 2.037 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414693732 375923539 /nfs/dbraw/zinc/92/35/39/375923539.db2.gz FGBRQJFKJFMUJX-MWLCHTKSSA-N 1 0 292.339 2.165 20 5 CEBDRO CN(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000287096314 376149784 /nfs/dbraw/zinc/14/97/84/376149784.db2.gz PTTGUGPUDQPTQN-CQSZACIVSA-N 1 0 277.368 2.067 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289643893 376431007 /nfs/dbraw/zinc/43/10/07/376431007.db2.gz HXTPITWIRANRHO-LLVKDONJSA-N 1 0 294.355 2.445 20 5 CEBDRO COC(=O)CCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289769084 376490708 /nfs/dbraw/zinc/49/07/08/376490708.db2.gz KKQWKZLTLCBTIV-UHFFFAOYSA-N 1 0 286.353 2.479 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cn[nH]c1 ZINC000289883386 376543049 /nfs/dbraw/zinc/54/30/49/376543049.db2.gz PUVUDRJVNIJIDN-UHFFFAOYSA-N 1 0 290.323 2.049 20 5 CEBDRO Cc1cc(N2CC[NH2+]CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420130959 376578101 /nfs/dbraw/zinc/57/81/01/376578101.db2.gz WUJVAVOMLUWKQR-UHFFFAOYSA-N 1 0 289.257 2.332 20 5 CEBDRO Cc1cc(N[C@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000311109333 376651644 /nfs/dbraw/zinc/65/16/44/376651644.db2.gz DXISGDGAAIZYBT-SECBINFHSA-N 1 0 255.293 2.404 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000314140165 376764650 /nfs/dbraw/zinc/76/46/50/376764650.db2.gz JMAZBWNFAKCPHO-VXGBXAGGSA-N 1 0 293.371 2.158 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313105839 376737874 /nfs/dbraw/zinc/73/78/74/376737874.db2.gz ZHSRVGZAQOMRCK-LBPRGKRZSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319988928 376819826 /nfs/dbraw/zinc/81/98/26/376819826.db2.gz ACZXJPIGLWBYSM-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000330547410 377178713 /nfs/dbraw/zinc/17/87/13/377178713.db2.gz ZQTKCTCZIDUVLO-UONOGXRCSA-N 1 0 294.351 2.139 20 5 CEBDRO [NH3+]C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276910 377200928 /nfs/dbraw/zinc/20/09/28/377200928.db2.gz NMFBAZABIWPMPL-CABCVRRESA-N 1 0 275.352 2.299 20 5 CEBDRO CC[C@H](N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277200 377202619 /nfs/dbraw/zinc/20/26/19/377202619.db2.gz NWXCIPOWGAIPNS-UONOGXRCSA-N 1 0 263.341 2.373 20 5 CEBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292781174 377279414 /nfs/dbraw/zinc/27/94/14/377279414.db2.gz LKBRJUIJLQUBDQ-WAFBPQNNSA-N 1 0 264.325 2.311 20 5 CEBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000292828944 377302576 /nfs/dbraw/zinc/30/25/76/377302576.db2.gz XQHHDVOXIREPJC-GFCCVEGCSA-N 1 0 293.367 2.237 20 5 CEBDRO CC[C@@H](F)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276097 377355806 /nfs/dbraw/zinc/35/58/06/377355806.db2.gz CHEFTHGESRQLBE-GHMZBOCLSA-N 1 0 282.319 2.224 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000293125242 377437410 /nfs/dbraw/zinc/43/74/10/377437410.db2.gz RHHZKTKMZFNPIG-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO COc1ccc(NC(=O)C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000564796272 377457232 /nfs/dbraw/zinc/45/72/32/377457232.db2.gz KGJMBBJBGQEINR-UHFFFAOYSA-N 1 0 295.339 2.272 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293290121 377507211 /nfs/dbraw/zinc/50/72/11/377507211.db2.gz VWOLZQQAGSMYML-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293290126 377507876 /nfs/dbraw/zinc/50/78/76/377507876.db2.gz VWOLZQQAGSMYML-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000265063492 190155295 /nfs/dbraw/zinc/15/52/95/190155295.db2.gz UCEIFEQJWGQEKI-LLVKDONJSA-N 1 0 273.720 2.024 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000265197882 190165041 /nfs/dbraw/zinc/16/50/41/190165041.db2.gz MEZOMOSVHXEPRP-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565724709 377691459 /nfs/dbraw/zinc/69/14/59/377691459.db2.gz QZJNYTKORCJFBF-UDGJJRABSA-N 1 0 275.352 2.420 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000293880313 377803360 /nfs/dbraw/zinc/80/33/60/377803360.db2.gz FOPNMZNOUPIDKI-ZDUSSCGKSA-N 1 0 272.308 2.068 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCC1)CCC2 ZINC000447588245 378122732 /nfs/dbraw/zinc/12/27/32/378122732.db2.gz TVGCFVMAHSPVBY-OAHLLOKOSA-N 1 0 275.352 2.268 20 5 CEBDRO Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000295521862 378195212 /nfs/dbraw/zinc/19/52/12/378195212.db2.gz MKRNERYDYKFCGG-UHFFFAOYSA-N 1 0 293.371 2.368 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000295693203 378266801 /nfs/dbraw/zinc/26/68/01/378266801.db2.gz LWZXYGOBXKSYPR-NQBHXWOUSA-N 1 0 264.325 2.293 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000296090245 378415096 /nfs/dbraw/zinc/41/50/96/378415096.db2.gz XZGUTXNORIATKB-ZMLRMANQSA-N 1 0 280.324 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000266103273 190230932 /nfs/dbraw/zinc/23/09/32/190230932.db2.gz ODYJZUPWAVZDTG-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450594424 378490849 /nfs/dbraw/zinc/49/08/49/378490849.db2.gz KUGHKLDOZFXLDZ-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000450949897 378658453 /nfs/dbraw/zinc/65/84/53/378658453.db2.gz LJXFDVOSOLPCTJ-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO COCC(COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366043 378876232 /nfs/dbraw/zinc/87/62/32/378876232.db2.gz WVQMLHZSSNNMMS-HNNXBMFYSA-N 1 0 294.351 2.223 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000278542315 194034711 /nfs/dbraw/zinc/03/47/11/194034711.db2.gz AABVGYJGTDYVLG-KGLIPLIRSA-N 1 0 298.314 2.018 20 5 CEBDRO C[NH+](C)CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000299371205 378974448 /nfs/dbraw/zinc/97/44/48/378974448.db2.gz YVAFVOLYEXEBNG-UHFFFAOYSA-N 1 0 280.328 2.058 20 5 CEBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054546 218106634 /nfs/dbraw/zinc/10/66/34/218106634.db2.gz TYBARQFGSBZDFP-XQRVVYSFSA-N 1 0 275.352 2.292 20 5 CEBDRO Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106427 218123383 /nfs/dbraw/zinc/12/33/83/218123383.db2.gz LULYDYFHPAAHGP-AAEUAGOBSA-N 1 0 263.341 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000289461699 197358405 /nfs/dbraw/zinc/35/84/05/197358405.db2.gz GZIUWIJIZVNWEP-HNNXBMFYSA-N 1 0 278.352 2.278 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000300190830 379154403 /nfs/dbraw/zinc/15/44/03/379154403.db2.gz IQRTYCCGPHOVPQ-SSDOTTSWSA-N 1 0 292.261 2.276 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000301246953 379232001 /nfs/dbraw/zinc/23/20/01/379232001.db2.gz HYICIBMRYMPMGO-LBPRGKRZSA-N 1 0 295.387 2.313 20 5 CEBDRO Cc1nn(C)c(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301282074 379244831 /nfs/dbraw/zinc/24/48/31/379244831.db2.gz MYQJDRAVKPVLIO-GHMZBOCLSA-N 1 0 295.387 2.169 20 5 CEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302181409 379327873 /nfs/dbraw/zinc/32/78/73/379327873.db2.gz ZRBUNKUEYAYATH-IJLUTSLNSA-N 1 0 293.371 2.163 20 5 CEBDRO Cn1cncc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000518558253 379392134 /nfs/dbraw/zinc/39/21/34/379392134.db2.gz JQGUDNRNFAGEOD-UHFFFAOYSA-N 1 0 288.351 2.393 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000278950570 194226518 /nfs/dbraw/zinc/22/65/18/194226518.db2.gz VPQNXSTWAXBNPB-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643479 379539279 /nfs/dbraw/zinc/53/92/79/379539279.db2.gz FYDQUSOHHHPVAR-GXFFZTMASA-N 1 0 296.392 2.286 20 5 CEBDRO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000304001336 379508689 /nfs/dbraw/zinc/50/86/89/379508689.db2.gz RFFCLBWFZAHEMD-LBPRGKRZSA-N 1 0 282.340 2.065 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCC[C@H]1O ZINC000305294334 379702792 /nfs/dbraw/zinc/70/27/92/379702792.db2.gz GBLFCDKHRGRLGU-SMDDNHRTSA-N 1 0 282.315 2.327 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489415889 380187788 /nfs/dbraw/zinc/18/77/88/380187788.db2.gz RTWFWDPBRSOPOP-RISCZKNCSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334041735 380219591 /nfs/dbraw/zinc/21/95/91/380219591.db2.gz AJYBRQOLINDZHM-PWSUYJOCSA-N 1 0 291.351 2.116 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551532847 380647350 /nfs/dbraw/zinc/64/73/50/380647350.db2.gz HDAWJOLKUMJFLT-GFCCVEGCSA-N 1 0 277.324 2.312 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000289316645 197294226 /nfs/dbraw/zinc/29/42/26/197294226.db2.gz UFVSTSJUYPDQBL-HAQNSBGRSA-N 1 0 291.351 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000344445747 285123716 /nfs/dbraw/zinc/12/37/16/285123716.db2.gz YZNHGZPLUSJAAK-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000353890159 220391306 /nfs/dbraw/zinc/39/13/06/220391306.db2.gz CNDYLIUMLPIOKZ-NSHDSACASA-N 1 0 294.355 2.365 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094953627 184902490 /nfs/dbraw/zinc/90/24/90/184902490.db2.gz LQDNAKRIHNQWDW-LBPRGKRZSA-N 1 0 266.341 2.136 20 5 CEBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863640 195932834 /nfs/dbraw/zinc/93/28/34/195932834.db2.gz BPTNZEIWEUAQRH-ONGXEEELSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189315407 129952695 /nfs/dbraw/zinc/95/26/95/129952695.db2.gz VWKUEASCUSTJDP-SUNKGSAMSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@H](NC(=O)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236879559 130982183 /nfs/dbraw/zinc/98/21/83/130982183.db2.gz IRXYPUUUDOAKCM-CQSZACIVSA-N 1 0 291.351 2.162 20 5 CEBDRO CC(C)(C)c1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262513948 131228227 /nfs/dbraw/zinc/22/82/27/131228227.db2.gz QEWKSZJJAGVTGT-UHFFFAOYSA-N 1 0 293.367 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000224415366 394466041 /nfs/dbraw/zinc/46/60/41/394466041.db2.gz PLOIGOSTATULGS-NSHDSACASA-N 1 0 252.339 2.438 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413046503 394474157 /nfs/dbraw/zinc/47/41/57/394474157.db2.gz ZXMFTXDTIWJJMY-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000235336459 394483003 /nfs/dbraw/zinc/48/30/03/394483003.db2.gz UDJSFLSGEIDLIX-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000038087965 394498023 /nfs/dbraw/zinc/49/80/23/394498023.db2.gz MFORFEWTYKYCDG-QWRGUYRKSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000355736610 394516717 /nfs/dbraw/zinc/51/67/17/394516717.db2.gz FUFLYKUNLAUDCC-WOPDTQHZSA-N 1 0 266.345 2.158 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000076117721 394616166 /nfs/dbraw/zinc/61/61/66/394616166.db2.gz HPEZDCQMAXPQLM-JTQLQIEISA-N 1 0 278.308 2.446 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331101066 394627368 /nfs/dbraw/zinc/62/73/68/394627368.db2.gz DDEKEQPQZKGUMG-GMTAPVOTSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356873963 394639124 /nfs/dbraw/zinc/63/91/24/394639124.db2.gz LFTIOUIIMHWLKC-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CN(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737021 394639224 /nfs/dbraw/zinc/63/92/24/394639224.db2.gz VYIHLTHPMYDHST-AWEZNQCLSA-N 1 0 263.341 2.123 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000264599005 394641487 /nfs/dbraw/zinc/64/14/87/394641487.db2.gz BAYXNHHWPPOOEA-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000268963735 394704809 /nfs/dbraw/zinc/70/48/09/394704809.db2.gz WQOHHDSAEWTKRV-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063288 394710796 /nfs/dbraw/zinc/71/07/96/394710796.db2.gz YHXGIXYOARTHSS-ZYHUDNBSSA-N 1 0 289.339 2.234 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](CC)C(C)C ZINC000359487594 394757191 /nfs/dbraw/zinc/75/71/91/394757191.db2.gz VVCCLRWXBWXGCJ-UHFFFAOYSA-N 1 0 283.376 2.262 20 5 CEBDRO CC[C@H](NC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422838959 394822334 /nfs/dbraw/zinc/82/23/34/394822334.db2.gz PGNUHVPBPRRSTB-AWEZNQCLSA-N 1 0 263.341 2.388 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000359560771 394761623 /nfs/dbraw/zinc/76/16/23/394761623.db2.gz ACMFMPMANFBFFW-QWRGUYRKSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273040899 394780833 /nfs/dbraw/zinc/78/08/33/394780833.db2.gz WDHHPPOSBCLKIZ-SNVBAGLBSA-N 1 0 262.313 2.052 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000414941973 394814334 /nfs/dbraw/zinc/81/43/34/394814334.db2.gz DDEAIYLDQCWULH-YPMHNXCESA-N 1 0 293.367 2.224 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414941972 394814402 /nfs/dbraw/zinc/81/44/02/394814402.db2.gz DDEAIYLDQCWULH-WCQYABFASA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1cnc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000362559742 394864351 /nfs/dbraw/zinc/86/43/51/394864351.db2.gz HNZDKOZWLPJKJA-UHFFFAOYSA-N 1 0 256.265 2.387 20 5 CEBDRO [NH3+]C[C@H](NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415062690 394870776 /nfs/dbraw/zinc/87/07/76/394870776.db2.gz FTJZLQPOGAMZON-AWEZNQCLSA-N 1 0 263.341 2.202 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281917581 394875252 /nfs/dbraw/zinc/87/52/52/394875252.db2.gz NTRQDNSYBUCNDT-VIFPVBQESA-N 1 0 284.385 2.218 20 5 CEBDRO COc1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415072088 394875554 /nfs/dbraw/zinc/87/55/54/394875554.db2.gz XPFAATNRJAZTSQ-ZDUSSCGKSA-N 1 0 293.367 2.211 20 5 CEBDRO [NH3+]CC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(F)F ZINC000414991443 394839917 /nfs/dbraw/zinc/83/99/17/394839917.db2.gz PQHYYPHQWGAKLY-JOAKQRRISA-N 1 0 285.294 2.180 20 5 CEBDRO CCC[C@@H](N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359191 394900436 /nfs/dbraw/zinc/90/04/36/394900436.db2.gz CVOZLGBGILDBBE-GXFFZTMASA-N 1 0 251.330 2.373 20 5 CEBDRO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139317 394902708 /nfs/dbraw/zinc/90/27/08/394902708.db2.gz ZLLVJCXCXQGENQ-BXUZGUMPSA-N 1 0 277.368 2.320 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415290558 394919350 /nfs/dbraw/zinc/91/93/50/394919350.db2.gz DSCWLUGXXPMJDV-VHSXEESVSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415290559 394919409 /nfs/dbraw/zinc/91/94/09/394919409.db2.gz DSCWLUGXXPMJDV-ZJUUUORDSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415484104 394936583 /nfs/dbraw/zinc/93/65/83/394936583.db2.gz NRLFQLZNIZLVFO-NSHDSACASA-N 1 0 294.355 2.461 20 5 CEBDRO Nc1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000285972095 394993222 /nfs/dbraw/zinc/99/32/22/394993222.db2.gz BEOCJMKSANZZDX-UHFFFAOYSA-N 1 0 264.329 2.075 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000285978409 394994752 /nfs/dbraw/zinc/99/47/52/394994752.db2.gz HPHUQWBJUKJFEQ-RGNHYFCHSA-N 1 0 297.380 2.081 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153732266 395016964 /nfs/dbraw/zinc/01/69/64/395016964.db2.gz YLZXDYJSRWDWAI-AWEZNQCLSA-N 1 0 262.309 2.207 20 5 CEBDRO C[N@H+](Cc1ccccc1)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000286393322 395021563 /nfs/dbraw/zinc/02/15/63/395021563.db2.gz PBSJXDGEVSHDKM-UHFFFAOYSA-N 1 0 298.346 2.310 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000156766964 395033111 /nfs/dbraw/zinc/03/31/11/395033111.db2.gz IFHYWELQZLALQW-UHFFFAOYSA-N 1 0 279.340 2.007 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000290763672 395115969 /nfs/dbraw/zinc/11/59/69/395115969.db2.gz UPKOUOSCIAXWNX-SNVBAGLBSA-N 1 0 266.345 2.318 20 5 CEBDRO Cc1cc(N2CCC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290996716 395120840 /nfs/dbraw/zinc/12/08/40/395120840.db2.gz SJPUXRDIPJPPBC-UHFFFAOYSA-N 1 0 267.304 2.184 20 5 CEBDRO CC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000174871828 395129696 /nfs/dbraw/zinc/12/96/96/395129696.db2.gz NJYZUAVSWPKNCD-GFCCVEGCSA-N 1 0 295.368 2.163 20 5 CEBDRO C[C@H]1[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCC[N@@H+]1C ZINC000436360615 395111811 /nfs/dbraw/zinc/11/18/11/395111811.db2.gz NGWIGNOAKWAYSS-CMPLNLGQSA-N 1 0 290.367 2.457 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417850670 395146499 /nfs/dbraw/zinc/14/64/99/395146499.db2.gz MNJIVMSXIXLKIE-CMPLNLGQSA-N 1 0 294.355 2.001 20 5 CEBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000418028895 395174831 /nfs/dbraw/zinc/17/48/31/395174831.db2.gz HWTPAPNKUVLAPO-VIFPVBQESA-N 1 0 290.323 2.128 20 5 CEBDRO C[NH+](C)C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000397818089 395225532 /nfs/dbraw/zinc/22/55/32/395225532.db2.gz CWPXDOMMIBAQLS-UHFFFAOYSA-N 1 0 271.267 2.379 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351929093 395241598 /nfs/dbraw/zinc/24/15/98/395241598.db2.gz XEQNQIWSLNUGHY-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO C[NH+](C)C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000419011107 395246411 /nfs/dbraw/zinc/24/64/11/395246411.db2.gz RSCHAXWRHZWKEX-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000396604198 395217187 /nfs/dbraw/zinc/21/71/87/395217187.db2.gz CEJYYSTWROZTKE-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[NH2+][C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420272920 395287063 /nfs/dbraw/zinc/28/70/63/395287063.db2.gz MTGDECHDFVOFDO-NEPJUHHUSA-N 1 0 263.341 2.258 20 5 CEBDRO CCOCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000355206810 395365143 /nfs/dbraw/zinc/36/51/43/395365143.db2.gz MUGQGCGUEKBYAD-OAHLLOKOSA-N 1 0 294.351 2.222 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000192128726 395373614 /nfs/dbraw/zinc/37/36/14/395373614.db2.gz HXWHBSGUUOPJIR-JQWIXIFHSA-N 1 0 250.298 2.109 20 5 CEBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000445900184 395475041 /nfs/dbraw/zinc/47/50/41/395475041.db2.gz YUDQUUASFMHGKO-QMMMGPOBSA-N 1 0 294.277 2.395 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193873694 395417490 /nfs/dbraw/zinc/41/74/90/395417490.db2.gz JPSDQVDGTWYBQF-SECBINFHSA-N 1 0 297.336 2.440 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000447046834 395504467 /nfs/dbraw/zinc/50/44/67/395504467.db2.gz IUWPWOBNUPRJSA-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)CO ZINC000451251908 395599124 /nfs/dbraw/zinc/59/91/24/395599124.db2.gz JKICQXAWEYKUBE-UHFFFAOYSA-N 1 0 282.340 2.054 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710199 395566921 /nfs/dbraw/zinc/56/69/21/395566921.db2.gz ZVJRWQIQUUZEAG-AWEZNQCLSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000574652454 395634632 /nfs/dbraw/zinc/63/46/32/395634632.db2.gz YWWJLOJHGRZOOV-LLVKDONJSA-N 1 0 279.340 2.500 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)n1 ZINC000331887596 296518383 /nfs/dbraw/zinc/51/83/83/296518383.db2.gz JOCVYRCUXJWEHS-QWHCGFSZSA-N 1 0 294.355 2.044 20 5 CEBDRO CC[C@@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193559747 153235599 /nfs/dbraw/zinc/23/55/99/153235599.db2.gz YDPJHTQSVWBIAQ-DYEKYZERSA-N 1 0 296.367 2.359 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193559758 153235895 /nfs/dbraw/zinc/23/58/95/153235895.db2.gz YDPJHTQSVWBIAQ-OBJOEFQTSA-N 1 0 296.367 2.359 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468694 153322463 /nfs/dbraw/zinc/32/24/63/153322463.db2.gz ATYJMTWGPCOYNE-GHMZBOCLSA-N 1 0 274.267 2.262 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000230668630 153397243 /nfs/dbraw/zinc/39/72/43/153397243.db2.gz DTBXDDGKPFAHOV-TZMCWYRMSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000236417038 153443009 /nfs/dbraw/zinc/44/30/09/153443009.db2.gz PUXCRIRTNLYHQD-HUUCEWRRSA-N 1 0 292.335 2.131 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367451382 156188175 /nfs/dbraw/zinc/18/81/75/156188175.db2.gz QUWZMANEIDGJQF-HNNXBMFYSA-N 1 0 292.335 2.358 20 5 CEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000175793581 165144153 /nfs/dbraw/zinc/14/41/53/165144153.db2.gz DFSBLUXRVNPPTK-VIFPVBQESA-N 1 0 299.396 2.362 20 5 CEBDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020125481 171008342 /nfs/dbraw/zinc/00/83/42/171008342.db2.gz VCLGASFUFZBDMR-NSHDSACASA-N 1 0 279.340 2.018 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949774 196163260 /nfs/dbraw/zinc/16/32/60/196163260.db2.gz FCVSKAJIJKUKFY-SCZZXKLOSA-N 1 0 267.354 2.333 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338441 196254652 /nfs/dbraw/zinc/25/46/52/196254652.db2.gz URMGKHKYQXZCMA-LPEHRKFASA-N 1 0 267.329 2.251 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038046020 174054584 /nfs/dbraw/zinc/05/45/84/174054584.db2.gz VBMAKWAYHDVHES-NSHDSACASA-N 1 0 280.324 2.120 20 5 CEBDRO C[C@H]1CCC[C@@](CNc2c([N+](=O)[O-])ncn2C)([NH+](C)C)C1 ZINC000040669996 174368553 /nfs/dbraw/zinc/36/85/53/174368553.db2.gz QCBQOQNPAIODPX-SMDDNHRTSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000040676166 174373646 /nfs/dbraw/zinc/37/36/46/174373646.db2.gz KXIRTZPRFVGVDW-LLVKDONJSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000222632549 414845108 /nfs/dbraw/zinc/84/51/08/414845108.db2.gz RTGOUSDGAUDLKD-XCBNKYQSSA-N 1 0 278.230 2.169 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045072501 175302147 /nfs/dbraw/zinc/30/21/47/175302147.db2.gz DSTKSLAFMMFCDE-LLVKDONJSA-N 1 0 279.340 2.162 20 5 CEBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071315421 176121621 /nfs/dbraw/zinc/12/16/21/176121621.db2.gz VOLMNAXPVHUNHI-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072067344 176312035 /nfs/dbraw/zinc/31/20/35/176312035.db2.gz YRUAYGIYKWHVSA-UHFFFAOYSA-N 1 0 292.339 2.058 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000078642704 177364826 /nfs/dbraw/zinc/36/48/26/177364826.db2.gz DVEVIZXIMNZJKU-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103175723 261276315 /nfs/dbraw/zinc/27/63/15/261276315.db2.gz JQEGZJZGRACOPY-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390534 263261161 /nfs/dbraw/zinc/26/11/61/263261161.db2.gz YFICBOOAFUGZMZ-ONGXEEELSA-N 1 0 279.340 2.078 20 5 CEBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425379041 264217188 /nfs/dbraw/zinc/21/71/88/264217188.db2.gz AIMPFMSPLVNDNG-CQSZACIVSA-N 1 0 264.325 2.452 20 5 CEBDRO C[C@H]1C[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959841 264227133 /nfs/dbraw/zinc/22/71/33/264227133.db2.gz USRJDNQPCPWFMX-QWRGUYRKSA-N 1 0 264.329 2.084 20 5 CEBDRO CC(C)C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000193482656 270285786 /nfs/dbraw/zinc/28/57/86/270285786.db2.gz GLSNALSJSKSMDS-NSHDSACASA-N 1 0 299.396 2.362 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487619 270334162 /nfs/dbraw/zinc/33/41/62/270334162.db2.gz VEAINISZIVDHJV-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO COc1cc(NCC2([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000398009765 270356263 /nfs/dbraw/zinc/35/62/63/270356263.db2.gz XQDNYEOYUOBGTR-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000398646355 270360304 /nfs/dbraw/zinc/36/03/04/270360304.db2.gz ZWVPALPFRWKVJZ-JTQLQIEISA-N 1 0 270.304 2.375 20 5 CEBDRO C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420328245 270518789 /nfs/dbraw/zinc/51/87/89/270518789.db2.gz FEDBWIQZRQITHL-WDEREUQCSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423739937 270935533 /nfs/dbraw/zinc/93/55/33/270935533.db2.gz IRLVJCLIVQDNQZ-RYUDHWBXSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000424182282 271028743 /nfs/dbraw/zinc/02/87/43/271028743.db2.gz GKMGQAXCYJRHEL-ZDUSSCGKSA-N 1 0 278.308 2.254 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424336982 271048601 /nfs/dbraw/zinc/04/86/01/271048601.db2.gz ZNCPPJHJWBVFNV-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCSC3)nc2c1 ZINC000425996441 271195373 /nfs/dbraw/zinc/19/53/73/271195373.db2.gz PYNOEOPJAMCQIR-VIFPVBQESA-N 1 0 292.364 2.314 20 5 CEBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000429292467 271320075 /nfs/dbraw/zinc/32/00/75/271320075.db2.gz XJAXRPRZUAQUCR-NWDGAFQWSA-N 1 0 296.371 2.012 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000430207411 271362847 /nfs/dbraw/zinc/36/28/47/271362847.db2.gz QIWSLKSARMQXRA-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072875550 274293113 /nfs/dbraw/zinc/29/31/13/274293113.db2.gz ZMFRHSADRNERLS-BXUZGUMPSA-N 1 0 289.335 2.184 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413157184 274395077 /nfs/dbraw/zinc/39/50/77/274395077.db2.gz GWOISAKLKJOJHZ-BDAKNGLRSA-N 1 0 268.292 2.024 20 5 CEBDRO Cc1c(NC(=O)C23CCC[NH+]2CCC3)cccc1[N+](=O)[O-] ZINC000365991785 274664053 /nfs/dbraw/zinc/66/40/53/274664053.db2.gz WGGDJWOBZHLDQO-UHFFFAOYSA-N 1 0 289.335 2.470 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c(F)c1 ZINC000057857655 275035969 /nfs/dbraw/zinc/03/59/69/275035969.db2.gz GZJXNIQPIABYKI-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)nc1 ZINC000265564124 275036075 /nfs/dbraw/zinc/03/60/75/275036075.db2.gz KCHUSKNQGIUDBL-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC1)CCC2 ZINC000193045485 275038053 /nfs/dbraw/zinc/03/80/53/275038053.db2.gz HYHSZIYAOMVNDU-FZMZJTMJSA-N 1 0 262.309 2.351 20 5 CEBDRO CC(C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867186 276025721 /nfs/dbraw/zinc/02/57/21/276025721.db2.gz YTUFVQIQYNFRMF-CYBMUJFWSA-N 1 0 266.345 2.302 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271058562 277109452 /nfs/dbraw/zinc/10/94/52/277109452.db2.gz RXKOKQSSOWZSLD-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375050739 277147393 /nfs/dbraw/zinc/14/73/93/277147393.db2.gz SKHCZFRBIVHJFD-BXKDBHETSA-N 1 0 296.758 2.174 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127686969 277285019 /nfs/dbraw/zinc/28/50/19/277285019.db2.gz TZUAOZXLORFBCY-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CC1(C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000212701123 278319248 /nfs/dbraw/zinc/31/92/48/278319248.db2.gz OWLLMFSUZCRLPN-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H](NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000037266987 278335162 /nfs/dbraw/zinc/33/51/62/278335162.db2.gz XEGDIYRWPPLABT-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000135204440 278357690 /nfs/dbraw/zinc/35/76/90/278357690.db2.gz NRSYDGWZRAQUFK-ZYHUDNBSSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000286151898 278870378 /nfs/dbraw/zinc/87/03/78/278870378.db2.gz VYENUSSLCVQHFN-SKDRFNHKSA-N 1 0 252.339 2.436 20 5 CEBDRO Cc1cnc(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000362678644 279020338 /nfs/dbraw/zinc/02/03/38/279020338.db2.gz CBHTZWNMNFUQLV-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H]([NH2+]CCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000298178165 279472935 /nfs/dbraw/zinc/47/29/35/279472935.db2.gz VDRPBGHFKQRNPW-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000086697447 279696070 /nfs/dbraw/zinc/69/60/70/279696070.db2.gz PRYXSPUNXSDCJY-CYBMUJFWSA-N 1 0 252.314 2.355 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129928902 279925230 /nfs/dbraw/zinc/92/52/30/279925230.db2.gz QWZVLULWCODUNC-GFCCVEGCSA-N 1 0 293.367 2.470 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357043 279968774 /nfs/dbraw/zinc/96/87/74/279968774.db2.gz NSWDSVAVCGBVBC-JQWIXIFHSA-N 1 0 250.298 2.252 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000150233880 280079637 /nfs/dbraw/zinc/07/96/37/280079637.db2.gz GVPKQCKCOFZZLL-SNVBAGLBSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000184648482 280119427 /nfs/dbraw/zinc/11/94/27/280119427.db2.gz UJCZKHXATQUNGA-SNVBAGLBSA-N 1 0 291.351 2.362 20 5 CEBDRO COCCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249406532 280395875 /nfs/dbraw/zinc/39/58/75/280395875.db2.gz UOQBUDOVDLPDPU-IUODEOHRSA-N 1 0 294.351 2.393 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000408169815 280399227 /nfs/dbraw/zinc/39/92/27/280399227.db2.gz AYNFEBOJONWQDH-OLZOCXBDSA-N 1 0 290.367 2.280 20 5 CEBDRO C[NH+](C)C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000397990699 280689141 /nfs/dbraw/zinc/68/91/41/280689141.db2.gz OAVHQADAQVMADZ-UHFFFAOYSA-N 1 0 293.352 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000272285830 281021217 /nfs/dbraw/zinc/02/12/17/281021217.db2.gz GBYIJKSYMFOOKQ-NWDGAFQWSA-N 1 0 264.325 2.278 20 5 CEBDRO CC[C@H]([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464119 281048098 /nfs/dbraw/zinc/04/80/98/281048098.db2.gz LVRPLGIHUQNASH-FZMZJTMJSA-N 1 0 263.341 2.299 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000423470370 281050811 /nfs/dbraw/zinc/05/08/11/281050811.db2.gz PGNQLLWYBVOOIR-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC23CC3)n1 ZINC000424315818 281148601 /nfs/dbraw/zinc/14/86/01/281148601.db2.gz DVQUQECLRDWQBD-QJPTWQEYSA-N 1 0 276.340 2.417 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424327291 281149276 /nfs/dbraw/zinc/14/92/76/281149276.db2.gz ZZRSXMIQMQBVRW-IRUJWGPZSA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462440 281239041 /nfs/dbraw/zinc/23/90/41/281239041.db2.gz BGRHWAZNKFLRSZ-WCBMZHEXSA-N 1 0 274.267 2.262 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000429762421 281253044 /nfs/dbraw/zinc/25/30/44/281253044.db2.gz PUBLHPWGQAEREC-GXFFZTMASA-N 1 0 282.315 2.375 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000439134663 281491096 /nfs/dbraw/zinc/49/10/96/281491096.db2.gz OVLDVRXWLCLTIU-NSHDSACASA-N 1 0 299.346 2.239 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447577943 281839794 /nfs/dbraw/zinc/83/97/94/281839794.db2.gz CERHXLQLSPDGPX-RWMBFGLXSA-N 1 0 296.371 2.026 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152423231 289088341 /nfs/dbraw/zinc/08/83/41/289088341.db2.gz YSXALAOEWZAABV-NWDGAFQWSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])C(C)C)c1 ZINC000155938162 289185702 /nfs/dbraw/zinc/18/57/02/289185702.db2.gz FRPIAFVLJUIHGF-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO COc1cc(CNC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000459551959 290177003 /nfs/dbraw/zinc/17/70/03/290177003.db2.gz UOEQNDPOIWLIGR-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459763039 290231754 /nfs/dbraw/zinc/23/17/54/290231754.db2.gz AEKCWIWVYHZBPL-KGLIPLIRSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488327670 290390919 /nfs/dbraw/zinc/39/09/19/290390919.db2.gz MNOPGBFKPCHDKT-IJLUTSLNSA-N 1 0 276.340 2.132 20 5 CEBDRO Nc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000287456016 295354077 /nfs/dbraw/zinc/35/40/77/295354077.db2.gz RVYVJOTXHPEDQV-CYBMUJFWSA-N 1 0 290.367 2.242 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000215999077 297397783 /nfs/dbraw/zinc/39/77/83/297397783.db2.gz DVFZGMWHAGZZNU-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000514798370 297553534 /nfs/dbraw/zinc/55/35/34/297553534.db2.gz NXMQZFQLWVLUEW-MNOVXSKESA-N 1 0 297.330 2.028 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967890 298127181 /nfs/dbraw/zinc/12/71/81/298127181.db2.gz GZHPAYRGTKVRCO-IUODEOHRSA-N 1 0 294.351 2.441 20 5 CEBDRO COCCC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539071014 298244199 /nfs/dbraw/zinc/24/41/99/298244199.db2.gz SLETVTZEZGAODJ-LBPRGKRZSA-N 1 0 282.340 2.378 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000539704076 298252190 /nfs/dbraw/zinc/25/21/90/298252190.db2.gz HWDOKHCCOPHORK-GFCCVEGCSA-N 1 0 263.341 2.026 20 5 CEBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000563529341 298782572 /nfs/dbraw/zinc/78/25/72/298782572.db2.gz ZOTKTLXTPDUOMD-GFCCVEGCSA-N 1 0 294.351 2.114 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CCC(C)C ZINC000571994197 314115933 /nfs/dbraw/zinc/11/59/33/314115933.db2.gz MEXNKMWSMVRTEV-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000576122165 314245177 /nfs/dbraw/zinc/24/51/77/314245177.db2.gz YJDATZPFSGVDMA-GXFFZTMASA-N 1 0 298.346 2.452 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577109704 314342617 /nfs/dbraw/zinc/34/26/17/314342617.db2.gz JWFJHPAZLVHKPU-RKDXNWHRSA-N 1 0 299.758 2.033 20 5 CEBDRO C[N@H+](CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CC1 ZINC000577487817 314382304 /nfs/dbraw/zinc/38/23/04/314382304.db2.gz JRZKKTWWUGAMDY-UHFFFAOYSA-N 1 0 290.367 2.375 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382455260 321840005 /nfs/dbraw/zinc/84/00/05/321840005.db2.gz QBDXZWZSEBDTKI-DTWKUNHWSA-N 1 0 297.742 2.248 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063168431 522080320 /nfs/dbraw/zinc/08/03/20/522080320.db2.gz CEGNJSFSLYRWMW-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280480 522690937 /nfs/dbraw/zinc/69/09/37/522690937.db2.gz QWWYPBBVKYGGTC-JXBWDGJFSA-N 1 0 284.381 2.403 20 5 CEBDRO COCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443345 523376979 /nfs/dbraw/zinc/37/69/79/523376979.db2.gz QVYWNFWQCZEOJA-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726554 523987538 /nfs/dbraw/zinc/98/75/38/523987538.db2.gz LMYQXEQEFZKEOU-OCCSQVGLSA-N 1 0 264.325 2.294 20 5 CEBDRO C[NH+](C)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443229 524057373 /nfs/dbraw/zinc/05/73/73/524057373.db2.gz UPEMPBAYSCPICF-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO Cc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1[N+](=O)[O-] ZINC000184075701 524438189 /nfs/dbraw/zinc/43/81/89/524438189.db2.gz BOIPAKLWXUIZJX-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO CC(C)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000248250532 535102467 /nfs/dbraw/zinc/10/24/67/535102467.db2.gz SDZDOFIYLUKDMZ-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749939815 574448975 /nfs/dbraw/zinc/44/89/75/574448975.db2.gz BTIKXMZPOIOHDB-UHFFFAOYSA-N 1 0 275.312 2.090 20 5 CEBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000744345081 575119535 /nfs/dbraw/zinc/11/95/35/575119535.db2.gz JESFTLFTDZSTGD-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262000928 623407000 /nfs/dbraw/zinc/40/70/00/623407000.db2.gz UCOBPXHMHUTXBA-NSHDSACASA-N 1 0 283.759 2.290 20 5 CEBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])cnn1C)[NH+](C)C ZINC000891680628 623894184 /nfs/dbraw/zinc/89/41/84/623894184.db2.gz GONANTNZOOCYLN-LLVKDONJSA-N 1 0 283.376 2.107 20 5 CEBDRO C[C@H]1CCC[C@@](CNc2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000891956511 624157167 /nfs/dbraw/zinc/15/71/67/624157167.db2.gz UNWGNJKSIOQPKQ-SMDDNHRTSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@@H]1CCC[C@](CNc2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000891956510 624157407 /nfs/dbraw/zinc/15/74/07/624157407.db2.gz UNWGNJKSIOQPKQ-RISCZKNCSA-N 1 0 295.387 2.251 20 5 CEBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934016143 624166336 /nfs/dbraw/zinc/16/63/36/624166336.db2.gz SHBLAHBRVBXWOU-ZDUSSCGKSA-N 1 0 279.340 2.021 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126061 624248440 /nfs/dbraw/zinc/24/84/40/624248440.db2.gz SORFWEGBQYSDJU-CHWSQXEVSA-N 1 0 250.298 2.204 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000219104497 624940214 /nfs/dbraw/zinc/94/02/14/624940214.db2.gz GCEQUOQRWAMDER-CYBMUJFWSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076497 625020175 /nfs/dbraw/zinc/02/01/75/625020175.db2.gz DRHOTAXUASTTSD-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c1 ZINC000235838545 625772468 /nfs/dbraw/zinc/77/24/68/625772468.db2.gz FKAWZWOAXPEBHX-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO CCOCCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892621817 627318471 /nfs/dbraw/zinc/31/84/71/627318471.db2.gz GDOAABBHSDOPRC-UHFFFAOYSA-N 1 0 298.339 2.215 20 5 CEBDRO [NH3+]C1(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1 ZINC000094291898 628810160 /nfs/dbraw/zinc/81/01/60/628810160.db2.gz BWBOMORLFALUHR-UHFFFAOYSA-N 1 0 274.280 2.069 20 5 CEBDRO Cc1ccc(CNCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000054111268 628879731 /nfs/dbraw/zinc/87/97/31/628879731.db2.gz GCCLLBBVVUQYCH-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO COC1CC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230690222 628933626 /nfs/dbraw/zinc/93/36/26/628933626.db2.gz MFOJODHLCUDTAX-UHFFFAOYSA-N 1 0 250.298 2.170 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063191405 629250665 /nfs/dbraw/zinc/25/06/65/629250665.db2.gz FFXCZNYZNXUXLT-BXUZGUMPSA-N 1 0 263.341 2.297 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000894247561 629253856 /nfs/dbraw/zinc/25/38/56/629253856.db2.gz GLYBUIYMVVRTKK-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794949042 629368517 /nfs/dbraw/zinc/36/85/17/629368517.db2.gz NUXKBZJJWLGQMB-BXUZGUMPSA-N 1 0 295.770 2.384 20 5 CEBDRO CCc1ccc(C(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000791979183 629446006 /nfs/dbraw/zinc/44/60/06/629446006.db2.gz MRLSLCZUIDTMNR-UHFFFAOYSA-N 1 0 280.324 2.266 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894657707 629577405 /nfs/dbraw/zinc/57/74/05/629577405.db2.gz NEVCWRJADWJKSE-ZJUUUORDSA-N 1 0 266.297 2.197 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928430739 629588454 /nfs/dbraw/zinc/58/84/54/629588454.db2.gz ITYGFTZWIIJFKB-YPMHNXCESA-N 1 0 291.351 2.034 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636062 634755698 /nfs/dbraw/zinc/75/56/98/634755698.db2.gz DURHMDMTXATTPE-TZMCWYRMSA-N 1 0 290.323 2.011 20 5 CEBDRO CCC[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058161 629831058 /nfs/dbraw/zinc/83/10/58/629831058.db2.gz IKKFJIAMUDTZOF-VIFPVBQESA-N 1 0 255.343 2.235 20 5 CEBDRO Cc1cc(N2CC=C(N)[NH2+]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000895248399 630057771 /nfs/dbraw/zinc/05/77/71/630057771.db2.gz KWWQVTNZUJDUQU-UHFFFAOYSA-N 1 0 288.229 2.047 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C=CCC3)C2)c1 ZINC000895527629 630234466 /nfs/dbraw/zinc/23/44/66/630234466.db2.gz MUUQLEPKFUMIFK-VOMCLLRMSA-N 1 0 262.313 2.051 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](CF)C1)OCCO2 ZINC000895575501 630255840 /nfs/dbraw/zinc/25/58/40/630255840.db2.gz UVHFJKKDYPFOQO-JTQLQIEISA-N 1 0 296.298 2.157 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652929 630294549 /nfs/dbraw/zinc/29/45/49/630294549.db2.gz KCDMSWXYUHIYHN-QPAPFBILSA-N 1 0 274.320 2.065 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000895740942 630320470 /nfs/dbraw/zinc/32/04/70/630320470.db2.gz UWZLIKYAHVBORR-MFKMUULPSA-N 1 0 279.340 2.246 20 5 CEBDRO C[C@@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734970 630324559 /nfs/dbraw/zinc/32/45/59/630324559.db2.gz BGVRMODGSCBMOK-PWSUYJOCSA-N 1 0 286.335 2.069 20 5 CEBDRO CC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736170 630325825 /nfs/dbraw/zinc/32/58/25/630325825.db2.gz JBMIOACSASAZOV-ZANVPECISA-N 1 0 277.324 2.302 20 5 CEBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895736307 630326439 /nfs/dbraw/zinc/32/64/39/630326439.db2.gz KDXGHQXUDNNYKT-JOYOIKCWSA-N 1 0 277.324 2.302 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000895756690 630332506 /nfs/dbraw/zinc/33/25/06/630332506.db2.gz KXSIMDCMBGLABP-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](SC)C2)c1[N+](=O)[O-] ZINC000895778444 630342332 /nfs/dbraw/zinc/34/23/32/630342332.db2.gz YIKRLXDFEXJOQY-MGCOHNPYSA-N 1 0 298.364 2.293 20 5 CEBDRO CCO[C@@H](CNc1c(C)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000896115865 630468809 /nfs/dbraw/zinc/46/88/09/630468809.db2.gz ODTNOGJZJSTYNN-LBPRGKRZSA-N 1 0 281.356 2.282 20 5 CEBDRO O=[N+]([O-])CCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000798193262 630832933 /nfs/dbraw/zinc/83/29/33/630832933.db2.gz JAKLIBCARHLIRD-UHFFFAOYSA-N 1 0 297.786 2.124 20 5 CEBDRO CC(C)[C@H](C(=O)OCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798841834 630938467 /nfs/dbraw/zinc/93/84/67/630938467.db2.gz PGEYFAQXHAZOHS-CQSZACIVSA-N 1 0 294.351 2.267 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCC(C)(C)C1 ZINC000897249439 631016185 /nfs/dbraw/zinc/01/61/85/631016185.db2.gz UWXZLYZUBJLTCV-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCC(C)(C)C1 ZINC000897249123 631016553 /nfs/dbraw/zinc/01/65/53/631016553.db2.gz MPUVDWFKAXCCOP-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ncnn21 ZINC000925151956 631091738 /nfs/dbraw/zinc/09/17/38/631091738.db2.gz FWLBHTOMPIZWHM-ZYHUDNBSSA-N 1 0 287.323 2.024 20 5 CEBDRO CC[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000870551594 631120231 /nfs/dbraw/zinc/12/02/31/631120231.db2.gz JTBNWFYYNAJXMA-GFCCVEGCSA-N 1 0 266.297 2.092 20 5 CEBDRO C[C@H](C[NH2+]Cc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897459968 631530255 /nfs/dbraw/zinc/53/02/55/631530255.db2.gz DOXPCJQFURZCJC-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@@H](CCO)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461287 631531046 /nfs/dbraw/zinc/53/10/46/631531046.db2.gz ZIVLFBKLPSXRKQ-MNOVXSKESA-N 1 0 252.314 2.059 20 5 CEBDRO CO[C@]1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000897465288 631532194 /nfs/dbraw/zinc/53/21/94/631532194.db2.gz VHLLJSIZMNRFIM-WFASDCNBSA-N 1 0 294.351 2.093 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000054447610 631538844 /nfs/dbraw/zinc/53/88/44/631538844.db2.gz ZNZGJTGUCHTUNO-CQSZACIVSA-N 1 0 286.335 2.456 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000803494273 631574002 /nfs/dbraw/zinc/57/40/02/631574002.db2.gz AUBBJESEIGIXQY-ZDUSSCGKSA-N 1 0 298.314 2.363 20 5 CEBDRO C[NH+]1CCC(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804404518 631679063 /nfs/dbraw/zinc/67/90/63/631679063.db2.gz QAOURIXKAFECKO-UHFFFAOYSA-N 1 0 294.311 2.257 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)C2)c1 ZINC000897960593 631992383 /nfs/dbraw/zinc/99/23/83/631992383.db2.gz WRNPNHCEMLAIFO-ITJDXZLMSA-N 1 0 276.340 2.273 20 5 CEBDRO C[C@@H](NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000899264741 632762000 /nfs/dbraw/zinc/76/20/00/632762000.db2.gz KILDCVOQUYBHST-SNVBAGLBSA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@H]([NH2+]Cc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553142 633031125 /nfs/dbraw/zinc/03/11/25/633031125.db2.gz SKDQRBSKJRNNCS-JTQLQIEISA-N 1 0 272.308 2.423 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565848 633032376 /nfs/dbraw/zinc/03/23/76/633032376.db2.gz BRHXWAZUHWSNHJ-CMPLNLGQSA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587303 633035598 /nfs/dbraw/zinc/03/55/98/633035598.db2.gz GKFBLLZCABEQPS-IINYFYTJSA-N 1 0 279.340 2.397 20 5 CEBDRO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000900476145 633745167 /nfs/dbraw/zinc/74/51/67/633745167.db2.gz AFCSYWORGRDKKO-GFCCVEGCSA-N 1 0 292.339 2.249 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccco2)c1 ZINC000818942854 634011677 /nfs/dbraw/zinc/01/16/77/634011677.db2.gz PTCWUWUCQRHNMT-AWEZNQCLSA-N 1 0 276.292 2.054 20 5 CEBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000819093017 634066039 /nfs/dbraw/zinc/06/60/39/634066039.db2.gz IKVBBUQAPCHTMR-OAHLLOKOSA-N 1 0 293.367 2.066 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207517 634105315 /nfs/dbraw/zinc/10/53/15/634105315.db2.gz MPCONUKZFQGSJF-AEGPPILISA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819249956 634117293 /nfs/dbraw/zinc/11/72/93/634117293.db2.gz QEAKMBHYBSELRI-QKCSRTOESA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000228559689 634123867 /nfs/dbraw/zinc/12/38/67/634123867.db2.gz QFWJJCJPZCPOQD-UHFFFAOYSA-N 1 0 292.270 2.251 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819339846 634146491 /nfs/dbraw/zinc/14/64/91/634146491.db2.gz UCKSFFYUOCMJDS-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1 ZINC000819377087 634162467 /nfs/dbraw/zinc/16/24/67/634162467.db2.gz LHDKCJIXNJPDJX-MGPQQGTHSA-N 1 0 288.303 2.367 20 5 CEBDRO C[N@@H+]1CC[C@@H](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000901908819 634359156 /nfs/dbraw/zinc/35/91/56/634359156.db2.gz MUBUMZLBFPTMFR-JTQLQIEISA-N 1 0 288.307 2.139 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128500 634983936 /nfs/dbraw/zinc/98/39/36/634983936.db2.gz ZSTFNICZSNQABW-ONGXEEELSA-N 1 0 266.297 2.043 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC[NH2+][C@H]2C)n1 ZINC000822808039 635000411 /nfs/dbraw/zinc/00/04/11/635000411.db2.gz OSHJUFAMKZIMQJ-JOYOIKCWSA-N 1 0 288.307 2.419 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903200870 635010258 /nfs/dbraw/zinc/01/02/58/635010258.db2.gz UGOHSSXRBKMFON-JOYOIKCWSA-N 1 0 268.313 2.025 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903218933 635020853 /nfs/dbraw/zinc/02/08/53/635020853.db2.gz FZJUXALBDQRMPD-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1C ZINC000903393046 635089578 /nfs/dbraw/zinc/08/95/78/635089578.db2.gz FCAAAGHYUPNGDG-GIPNMCIBSA-N 1 0 282.315 2.289 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903393744 635090301 /nfs/dbraw/zinc/09/03/01/635090301.db2.gz SHXNWTBBOSLFSH-OASPWFOLSA-N 1 0 262.309 2.207 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903798294 635275991 /nfs/dbraw/zinc/27/59/91/635275991.db2.gz NBZKGRNZUOUGFN-ABAIWWIYSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000903798444 635276039 /nfs/dbraw/zinc/27/60/39/635276039.db2.gz NNIJUOVSFXSMPF-AAEUAGOBSA-N 1 0 281.381 2.360 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2CCc1ccc([N+](=O)[O-])cc1 ZINC000903800176 635277227 /nfs/dbraw/zinc/27/72/27/635277227.db2.gz USRUNZWBCZVPON-HOCLYGCPSA-N 1 0 289.379 2.341 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824081249 635341768 /nfs/dbraw/zinc/34/17/68/635341768.db2.gz UHXBVUXSTOSTDG-YUELXQCFSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)([NH3+])CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903938504 635363684 /nfs/dbraw/zinc/36/36/84/635363684.db2.gz FDHZPGOVENPHIP-UHFFFAOYSA-N 1 0 271.748 2.465 20 5 CEBDRO CCC1([NH3+])CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000903946795 635379609 /nfs/dbraw/zinc/37/96/09/635379609.db2.gz ACWIFPREPLXVAT-UHFFFAOYSA-N 1 0 293.367 2.307 20 5 CEBDRO Cc1ccc(CNC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000825648405 635686025 /nfs/dbraw/zinc/68/60/25/635686025.db2.gz RPCAYUSSXNGVHT-UHFFFAOYSA-N 1 0 293.367 2.251 20 5 CEBDRO CC[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000905066134 635809684 /nfs/dbraw/zinc/80/96/84/635809684.db2.gz NVBJICFFNXJSDF-NSHDSACASA-N 1 0 292.257 2.388 20 5 CEBDRO COc1ccccc1SC[C@@H](C)C[NH2+]CC[N+](=O)[O-] ZINC000905097085 635830458 /nfs/dbraw/zinc/83/04/58/635830458.db2.gz LBOIVCIMHHQRQS-NSHDSACASA-N 1 0 284.381 2.290 20 5 CEBDRO COc1ccccc1[C@@H](C[NH2+]CC[N+](=O)[O-])OC(C)C ZINC000905217078 636164663 /nfs/dbraw/zinc/16/46/63/636164663.db2.gz UXCSWLIQMILAJI-CQSZACIVSA-N 1 0 282.340 2.028 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905423663 636274880 /nfs/dbraw/zinc/27/48/80/636274880.db2.gz QJALLCDLOKZVFF-OOPCZODUSA-N 1 0 292.335 2.056 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@]23C[C@H]2CCC3)c1 ZINC000905620684 636347759 /nfs/dbraw/zinc/34/77/59/636347759.db2.gz GFQUWUJDVZYYOZ-YUELXQCFSA-N 1 0 276.336 2.408 20 5 CEBDRO C[C@H](C[NH2+]C[C@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000905642693 636378365 /nfs/dbraw/zinc/37/83/65/636378365.db2.gz HWRXJDHZRCJBHT-RNCFNFMXSA-N 1 0 288.294 2.304 20 5 CEBDRO C[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000905643433 636379597 /nfs/dbraw/zinc/37/95/97/636379597.db2.gz MAIYOPSUFMEJFE-GZMMTYOYSA-N 1 0 292.257 2.211 20 5 CEBDRO C[C@H](C[NH2+]C[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905645459 636380518 /nfs/dbraw/zinc/38/05/18/636380518.db2.gz YMKIOFGCTCESDF-QMTHXVAHSA-N 1 0 264.325 2.059 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCCCCCCC1 ZINC000831937485 637465712 /nfs/dbraw/zinc/46/57/12/637465712.db2.gz SJXGJEPZPROIIJ-UHFFFAOYSA-N 1 0 293.367 2.413 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000834383632 637807412 /nfs/dbraw/zinc/80/74/12/637807412.db2.gz UZYAXJWCZMVARS-KGLIPLIRSA-N 1 0 262.309 2.113 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910296784 638000666 /nfs/dbraw/zinc/00/06/66/638000666.db2.gz QPGTYEJRHRKVIB-GFCCVEGCSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000835062037 638044475 /nfs/dbraw/zinc/04/44/75/638044475.db2.gz XOPPZOLJAOBLLK-ZDUSSCGKSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1c(NC(=O)CCSCCC[NH3+])cccc1[N+](=O)[O-] ZINC000911957861 638496528 /nfs/dbraw/zinc/49/65/28/638496528.db2.gz SPHZNOJYNHFEEQ-UHFFFAOYSA-N 1 0 297.380 2.314 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000912262356 638619633 /nfs/dbraw/zinc/61/96/33/638619633.db2.gz RAVUUJXWQRXDDA-HNNXBMFYSA-N 1 0 293.367 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCC[NH3+] ZINC000876857940 650461349 /nfs/dbraw/zinc/46/13/49/650461349.db2.gz LCTGWCJEPOHLOA-SNVBAGLBSA-N 1 0 279.340 2.069 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225589153 639508326 /nfs/dbraw/zinc/50/83/26/639508326.db2.gz XQNIDEVBKSDLFV-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850377 639586292 /nfs/dbraw/zinc/58/62/92/639586292.db2.gz RIRIHXQKXVZSSY-ASCAZGACSA-N 1 0 290.772 2.105 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000228108144 639617958 /nfs/dbraw/zinc/61/79/58/639617958.db2.gz ZSSKYYSULSEVQO-LBPRGKRZSA-N 1 0 291.351 2.004 20 5 CEBDRO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841071367 639642032 /nfs/dbraw/zinc/64/20/32/639642032.db2.gz DXWMOAMVYXDYDT-SECBINFHSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000228560010 639644134 /nfs/dbraw/zinc/64/41/34/639644134.db2.gz RQVSIELXIIJMFP-QMMMGPOBSA-N 1 0 292.270 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNCCC[NH2+]C2CC2)c1 ZINC000841093362 639654455 /nfs/dbraw/zinc/65/44/55/639654455.db2.gz RTNANLUPKAHSEY-UHFFFAOYSA-N 1 0 283.759 2.480 20 5 CEBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841103503 639678361 /nfs/dbraw/zinc/67/83/61/639678361.db2.gz OWZGVVSRODGKGL-JTQLQIEISA-N 1 0 298.730 2.107 20 5 CEBDRO [NH3+][C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000841232101 639713918 /nfs/dbraw/zinc/71/39/18/639713918.db2.gz AFCJVOQUGQPYRI-QMMMGPOBSA-N 1 0 298.730 2.107 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000230680859 639778431 /nfs/dbraw/zinc/77/84/31/639778431.db2.gz JMHNEBMQMQMYGR-CABZTGNLSA-N 1 0 284.743 2.499 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063167996 639836160 /nfs/dbraw/zinc/83/61/60/639836160.db2.gz PNECBMDENNTQSJ-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO CN(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841890492 639900692 /nfs/dbraw/zinc/90/06/92/639900692.db2.gz PGIKUIWOUSSTRG-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000929621872 639998507 /nfs/dbraw/zinc/99/85/07/639998507.db2.gz KWMZJLZRVAXDMV-NSHDSACASA-N 1 0 254.717 2.406 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843077576 640271291 /nfs/dbraw/zinc/27/12/91/640271291.db2.gz SUWPIQQXQGWGIO-LNSITVRQSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843147590 640306070 /nfs/dbraw/zinc/30/60/70/640306070.db2.gz BMOISSUQTQMCII-LBPRGKRZSA-N 1 0 291.311 2.246 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000843186862 640337113 /nfs/dbraw/zinc/33/71/13/640337113.db2.gz GEEOXZASUZXPQB-DTORHVGOSA-N 1 0 274.280 2.158 20 5 CEBDRO CC[C@@H](CSC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877129985 650586969 /nfs/dbraw/zinc/58/69/69/650586969.db2.gz HGABSPAKPFXYPB-WHXUTIOJSA-N 1 0 284.385 2.226 20 5 CEBDRO CC(C)(CCc1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1)[N+](=O)[O-] ZINC000844920568 640866440 /nfs/dbraw/zinc/86/64/40/640866440.db2.gz SUFARSNDQOLBBC-WDEREUQCSA-N 1 0 294.355 2.261 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CCCCC2)n1 ZINC000845768984 641081908 /nfs/dbraw/zinc/08/19/08/641081908.db2.gz OOIGKIWBIYFGOZ-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000877241238 650638329 /nfs/dbraw/zinc/63/83/29/650638329.db2.gz OEFUESXNIUFVIL-CYBMUJFWSA-N 1 0 293.367 2.283 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846027543 641156624 /nfs/dbraw/zinc/15/66/24/641156624.db2.gz QUSLMSNLTOZVRA-UHFFFAOYSA-N 1 0 298.726 2.434 20 5 CEBDRO CC[C@]1(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000877241051 650637291 /nfs/dbraw/zinc/63/72/91/650637291.db2.gz LHWVSAWJOASPEQ-OAHLLOKOSA-N 1 0 291.351 2.052 20 5 CEBDRO COC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000181575293 641571869 /nfs/dbraw/zinc/57/18/69/641571869.db2.gz PBMNCQSFOFUKIC-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO C[N@@H+]1CC[C@@H](CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000847830519 641798485 /nfs/dbraw/zinc/79/84/85/641798485.db2.gz RLVQKCTTYAZLMR-NSHDSACASA-N 1 0 278.308 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC[NH2+]C2CC2)n1 ZINC000848621927 642077144 /nfs/dbraw/zinc/07/71/44/642077144.db2.gz PVZBXNMEYAUOLH-UHFFFAOYSA-N 1 0 288.307 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@]34CCC[NH2+]C4)n2)o1 ZINC000848630534 642082187 /nfs/dbraw/zinc/08/21/87/642082187.db2.gz NSCNTSCUMCAPMY-AMIZOPFISA-N 1 0 290.279 2.095 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877433964 650719057 /nfs/dbraw/zinc/71/90/57/650719057.db2.gz KWQFPOSXLSZJNE-NHYWBVRUSA-N 1 0 278.352 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877433963 650719162 /nfs/dbraw/zinc/71/91/62/650719162.db2.gz KWQFPOSXLSZJNE-IAQYHMDHSA-N 1 0 278.352 2.414 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000848754731 642129014 /nfs/dbraw/zinc/12/90/14/642129014.db2.gz BIXCWTRPYGHVTD-AOOOYVTPSA-N 1 0 267.304 2.486 20 5 CEBDRO C[C@H]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877459337 650727987 /nfs/dbraw/zinc/72/79/87/650727987.db2.gz HZRJYQXXWTWYQI-DMOGRIERSA-N 1 0 264.329 2.273 20 5 CEBDRO CON(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850479828 642727038 /nfs/dbraw/zinc/72/70/38/642727038.db2.gz DBFZWLLBJODMDZ-LLVKDONJSA-N 1 0 267.329 2.047 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850515546 642737254 /nfs/dbraw/zinc/73/72/54/642737254.db2.gz YGVDOOJGLCQGFN-YUSALJHKSA-N 1 0 279.340 2.395 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)c1 ZINC000877585367 650801347 /nfs/dbraw/zinc/80/13/47/650801347.db2.gz FQCQCKRIYHWJHE-JXOSRZLSSA-N 1 0 276.340 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1CN(C)C1 ZINC000877628692 650821066 /nfs/dbraw/zinc/82/10/66/650821066.db2.gz MATJMUWZFLPYHW-UHFFFAOYSA-N 1 0 277.368 2.205 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1COCCO1 ZINC000877629095 650822062 /nfs/dbraw/zinc/82/20/62/650822062.db2.gz QDZTZRNFCBZUFX-ZDUSSCGKSA-N 1 0 294.351 2.059 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907315 643219594 /nfs/dbraw/zinc/21/95/94/643219594.db2.gz SNDKSNZSAVJYLI-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535039 643462929 /nfs/dbraw/zinc/46/29/29/643462929.db2.gz UEFBQAQOWIDYFJ-SMDDNHRTSA-N 1 0 280.299 2.202 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000852555402 643470879 /nfs/dbraw/zinc/47/08/79/643470879.db2.gz TWUYRHIJKPTQCH-ZIAGYGMSSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H](NC(=O)C=C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000852812262 643561694 /nfs/dbraw/zinc/56/16/94/643561694.db2.gz RKJOYPVWCFEXJB-NSHDSACASA-N 1 0 289.335 2.082 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000852917478 643597808 /nfs/dbraw/zinc/59/78/08/643597808.db2.gz MEJVXWISARHTOW-LHRNQBEKSA-N 1 0 291.351 2.098 20 5 CEBDRO C[C@@](CO)([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692317 650853893 /nfs/dbraw/zinc/85/38/93/650853893.db2.gz YFASDJFBUYOKRE-CABCVRRESA-N 1 0 292.335 2.085 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)O ZINC000824921415 643789404 /nfs/dbraw/zinc/78/94/04/643789404.db2.gz LKMMJMWCWKJDAR-KCJUWKMLSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@H+](CCC2CC2)CC2CC2)c1 ZINC000853607865 643832582 /nfs/dbraw/zinc/83/25/82/643832582.db2.gz XIDCGAAKONEFDF-UHFFFAOYSA-N 1 0 264.329 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)C2CC2)C2CC2)cc1 ZINC000838907595 644064593 /nfs/dbraw/zinc/06/45/93/644064593.db2.gz SLRAVLKJQUEAHX-OAHLLOKOSA-N 1 0 276.336 2.330 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877753464 650896933 /nfs/dbraw/zinc/89/69/33/650896933.db2.gz POTIIFHDWPYSHC-CYBMUJFWSA-N 1 0 264.325 2.188 20 5 CEBDRO [NH3+]C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843054122 644772385 /nfs/dbraw/zinc/77/23/85/644772385.db2.gz DQXBIGMGRGCYFH-LLVKDONJSA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858547328 645197268 /nfs/dbraw/zinc/19/72/68/645197268.db2.gz JVYRMRQXUNGGKL-ONENECBXSA-N 1 0 291.351 2.395 20 5 CEBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000761507767 645292637 /nfs/dbraw/zinc/29/26/37/645292637.db2.gz WIBOHXCZSQPBKO-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000765290456 645752971 /nfs/dbraw/zinc/75/29/71/645752971.db2.gz KDIRTUITARWRTG-KCJUWKMLSA-N 1 0 292.257 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000765771998 645807257 /nfs/dbraw/zinc/80/72/57/645807257.db2.gz UIYDDUJZYDVOCI-NWDGAFQWSA-N 1 0 263.341 2.258 20 5 CEBDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000862466141 646470228 /nfs/dbraw/zinc/47/02/28/646470228.db2.gz NUICAMRLWYIGPJ-NSHDSACASA-N 1 0 294.282 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+](C)C)C1 ZINC000771185808 646499130 /nfs/dbraw/zinc/49/91/30/646499130.db2.gz HDKDUGHNLYXOEQ-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776274519 647044962 /nfs/dbraw/zinc/04/49/62/647044962.db2.gz IDYNCHFELHQBLL-ZDUSSCGKSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776580448 647073537 /nfs/dbraw/zinc/07/35/37/647073537.db2.gz VVYNVMHEYAKRJI-CYBMUJFWSA-N 1 0 252.314 2.359 20 5 CEBDRO CC1(C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590937 647076121 /nfs/dbraw/zinc/07/61/21/647076121.db2.gz KPEUNGUWMLTIRA-GFCCVEGCSA-N 1 0 250.298 2.113 20 5 CEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000776588170 647076166 /nfs/dbraw/zinc/07/61/66/647076166.db2.gz LVHYTRGNJHCSEO-CYBMUJFWSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@H](CCO)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000779422646 647322066 /nfs/dbraw/zinc/32/20/66/647322066.db2.gz PUJNLEQMNWDGEM-SECBINFHSA-N 1 0 272.732 2.151 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865503368 647329194 /nfs/dbraw/zinc/32/91/94/647329194.db2.gz WBLXSAZTOLCFPD-SNVBAGLBSA-N 1 0 299.346 2.368 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113287 647615168 /nfs/dbraw/zinc/61/51/68/647615168.db2.gz YQTLUSRKMCGNPL-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782636752 647647859 /nfs/dbraw/zinc/64/78/59/647647859.db2.gz YJZPKZDGUZFALU-ZOWXZIJZSA-N 1 0 276.336 2.278 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000866205313 647668791 /nfs/dbraw/zinc/66/87/91/647668791.db2.gz CEDNDBBXNXNYBY-VXGBXAGGSA-N 1 0 261.325 2.125 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1 ZINC000866240968 647688828 /nfs/dbraw/zinc/68/88/28/647688828.db2.gz RVSWHAJZLNWZEX-JTQLQIEISA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccon1 ZINC000866277572 647712673 /nfs/dbraw/zinc/71/26/73/647712673.db2.gz FJFSVJVLLOIOIG-VIFPVBQESA-N 1 0 279.271 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCC2)cc1Cl ZINC000783646400 647743152 /nfs/dbraw/zinc/74/31/52/647743152.db2.gz DMGIONKACZWLIR-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO CC1(C)CC[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000866698650 647873471 /nfs/dbraw/zinc/87/34/71/647873471.db2.gz AFKCKTFERKSJJJ-UHFFFAOYSA-N 1 0 293.367 2.048 20 5 CEBDRO CCC(CC)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943371 647996126 /nfs/dbraw/zinc/99/61/26/647996126.db2.gz SUBZLNZNIXKEDS-AWEZNQCLSA-N 1 0 279.340 2.074 20 5 CEBDRO CC(C)CCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945058 647997376 /nfs/dbraw/zinc/99/73/76/647997376.db2.gz PDRGISHWNUNEGE-OAHLLOKOSA-N 1 0 293.367 2.321 20 5 CEBDRO C[C@]([NH3+])(C(=O)NCCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867974116 648006830 /nfs/dbraw/zinc/00/68/30/648006830.db2.gz PKTVQJBSSQRBFU-OAHLLOKOSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000868008705 648019678 /nfs/dbraw/zinc/01/96/78/648019678.db2.gz VOXFXQFYJXOOEV-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000790695276 648440738 /nfs/dbraw/zinc/44/07/38/648440738.db2.gz MEIAFRSZWGTGTJ-LLVKDONJSA-N 1 0 288.351 2.358 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000791811274 648570019 /nfs/dbraw/zinc/57/00/19/648570019.db2.gz MJHNRVXRLJFYFG-UHFFFAOYSA-N 1 0 291.307 2.185 20 5 CEBDRO C[NH+](C)CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000791927593 648585845 /nfs/dbraw/zinc/58/58/45/648585845.db2.gz ARCOTNZZGMDUOY-UHFFFAOYSA-N 1 0 294.351 2.367 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000870571318 648836996 /nfs/dbraw/zinc/83/69/96/648836996.db2.gz KBXDNWSSLSTNAT-CYBMUJFWSA-N 1 0 280.324 2.338 20 5 CEBDRO Cc1ccnc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC000871660731 649137571 /nfs/dbraw/zinc/13/75/71/649137571.db2.gz YXBALDJPHZTTSV-AWEZNQCLSA-N 1 0 298.346 2.425 20 5 CEBDRO C[C@H]([NH2+]CCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872066687 649260860 /nfs/dbraw/zinc/26/08/60/649260860.db2.gz JTCZBRNCVXROLF-VIFPVBQESA-N 1 0 256.277 2.157 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077638 649265442 /nfs/dbraw/zinc/26/54/42/649265442.db2.gz KNSJSRJKSKVBLR-YMTOWFKASA-N 1 0 295.314 2.053 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090360 649270381 /nfs/dbraw/zinc/27/03/81/649270381.db2.gz BOWTWYAWKNKJEC-XCBNKYQSSA-N 1 0 292.257 2.401 20 5 CEBDRO COCC(C)(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872242619 649326305 /nfs/dbraw/zinc/32/63/05/649326305.db2.gz DSPYKYCPZAWOAJ-AWEZNQCLSA-N 1 0 296.367 2.281 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872310123 649353015 /nfs/dbraw/zinc/35/30/15/649353015.db2.gz NUQTZHAMTQYWSL-KGLIPLIRSA-N 1 0 262.309 2.396 20 5 CEBDRO CCN(CC)C(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873023705 649534315 /nfs/dbraw/zinc/53/43/15/649534315.db2.gz STNORECYNWUDKE-UHFFFAOYSA-N 1 0 293.367 2.170 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074106 649551400 /nfs/dbraw/zinc/55/14/00/649551400.db2.gz IXLMOJSQKQIMRC-BXUZGUMPSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CCCO ZINC000873075261 649552014 /nfs/dbraw/zinc/55/20/14/649552014.db2.gz VVNUOGOYHFZGEA-NSHDSACASA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[S@@](C)=O ZINC000873105349 649558917 /nfs/dbraw/zinc/55/89/17/649558917.db2.gz ZSKZZZKIVLSJAQ-APBUJDDRSA-N 1 0 284.381 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(CO)CC1 ZINC000873130189 649565130 /nfs/dbraw/zinc/56/51/30/649565130.db2.gz ZYARCFNZGBUCRY-UHFFFAOYSA-N 1 0 278.352 2.464 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000874183170 649753284 /nfs/dbraw/zinc/75/32/84/649753284.db2.gz RBAMHEUUKGJGSP-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000124884579 649754823 /nfs/dbraw/zinc/75/48/23/649754823.db2.gz SDTHUAAODHTNFO-CYBMUJFWSA-N 1 0 252.314 2.010 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000879229169 651265308 /nfs/dbraw/zinc/26/53/08/651265308.db2.gz SEVMGHDMWKXYAI-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321732 651285338 /nfs/dbraw/zinc/28/53/38/651285338.db2.gz RDHWTSJTAWHMLF-CHWSQXEVSA-N 1 0 294.351 2.473 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879572866 651324147 /nfs/dbraw/zinc/32/41/47/651324147.db2.gz KALOYGCTMIQAPN-RISCZKNCSA-N 1 0 293.342 2.260 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@@H](C)[NH3+])nn1 ZINC000881365176 651698885 /nfs/dbraw/zinc/69/88/85/651698885.db2.gz NWVCQGOFXOMWPX-ZJUUUORDSA-N 1 0 275.312 2.124 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H](C)[NH3+])nn1 ZINC000881365173 651698935 /nfs/dbraw/zinc/69/89/35/651698935.db2.gz NWVCQGOFXOMWPX-NXEZZACHSA-N 1 0 275.312 2.124 20 5 CEBDRO C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000881824688 651893931 /nfs/dbraw/zinc/89/39/31/651893931.db2.gz QIKYJHKPFDFUOK-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000882100296 651963278 /nfs/dbraw/zinc/96/32/78/651963278.db2.gz BFBSTYPXWLJIRQ-MNOVXSKESA-N 1 0 294.330 2.049 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883200301 652397922 /nfs/dbraw/zinc/39/79/22/652397922.db2.gz FYMKSIFIMCBTDS-KBPBESRZSA-N 1 0 294.351 2.126 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000883200212 652397965 /nfs/dbraw/zinc/39/79/65/652397965.db2.gz CZZHPCAHJCREGA-UKRRQHHQSA-N 1 0 294.351 2.126 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000131444492 652427544 /nfs/dbraw/zinc/42/75/44/652427544.db2.gz DMLLHLVUHGXXKA-LLVKDONJSA-N 1 0 293.367 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000884267437 652774472 /nfs/dbraw/zinc/77/44/72/652774472.db2.gz FWMLALAQZQWDJT-VXGBXAGGSA-N 1 0 291.351 2.211 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153684419 721885985 /nfs/dbraw/zinc/88/59/85/721885985.db2.gz AMMAEQMRZVGBFI-JTQLQIEISA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1c(C)c(N(C)CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001165041077 721934625 /nfs/dbraw/zinc/93/46/25/721934625.db2.gz GHEKWJOPJAOCDZ-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000609891421 721942387 /nfs/dbraw/zinc/94/23/87/721942387.db2.gz JINOWOCUMIRKMD-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000896915489 805941831 /nfs/dbraw/zinc/94/18/31/805941831.db2.gz YRXMUEANIAWRTR-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)C(C)(C)C[NH3+] ZINC000714241992 806091327 /nfs/dbraw/zinc/09/13/27/806091327.db2.gz ZGJXMUTVAHZBOG-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO [NH3+]Cc1cnn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC001168261383 806452591 /nfs/dbraw/zinc/45/25/91/806452591.db2.gz FHUULMJEKJIATE-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000127764421 806540474 /nfs/dbraw/zinc/54/04/74/806540474.db2.gz YZQQGWXLOKUTSB-ZDUSSCGKSA-N 1 0 264.329 2.403 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCC(=O)N(C)C1 ZINC001167247041 802603531 /nfs/dbraw/zinc/60/35/31/802603531.db2.gz VCNPVFPMCAVIMB-OAHLLOKOSA-N 1 0 290.431 2.316 20 5 CEBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167589253 803168694 /nfs/dbraw/zinc/16/86/94/803168694.db2.gz CXTWQVDJRPLKML-UHFFFAOYSA-N 1 0 256.265 2.326 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000724879749 803330491 /nfs/dbraw/zinc/33/04/91/803330491.db2.gz JBDTXVADAMHKKP-MPKXVKKWSA-N 1 0 280.324 2.049 20 5 CEBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712582377 814755135 /nfs/dbraw/zinc/75/51/35/814755135.db2.gz QLJJEKOYPCPXRW-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218286441 803578106 /nfs/dbraw/zinc/57/81/06/803578106.db2.gz TYMQDVMWJCBFNB-NSHDSACASA-N 1 0 250.298 2.342 20 5 CEBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218387202 803596105 /nfs/dbraw/zinc/59/61/05/803596105.db2.gz XPKKNTZZCZJPNI-LHLIQPBNSA-N 1 0 276.214 2.353 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959538 814953673 /nfs/dbraw/zinc/95/36/73/814953673.db2.gz TXFXUMAHNOHRLH-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000715580813 814974775 /nfs/dbraw/zinc/97/47/75/814974775.db2.gz XJJCGFHCVWJHBS-VHSXEESVSA-N 1 0 298.774 2.350 20 5 CEBDRO CC[N@@H+]1CC[C@H](OCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001223650393 804605808 /nfs/dbraw/zinc/60/58/08/804605808.db2.gz HPAUJXVNSCPLOC-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1F ZINC001225793989 805299983 /nfs/dbraw/zinc/29/99/83/805299983.db2.gz GKMOJVNOXWMCHM-LBPRGKRZSA-N 1 0 266.272 2.207 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000721787751 805417685 /nfs/dbraw/zinc/41/76/85/805417685.db2.gz JCIUKGQLPYXKRZ-LLVKDONJSA-N 1 0 282.315 2.327 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168420867 807277131 /nfs/dbraw/zinc/27/71/31/807277131.db2.gz GGEHRCRQQXDHRX-UHFFFAOYSA-N 1 0 281.275 2.218 20 5 CEBDRO C[NH+](C)C1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001119411733 815108710 /nfs/dbraw/zinc/10/87/10/815108710.db2.gz JNJNLULOTWIORF-UHFFFAOYSA-N 1 0 289.257 2.364 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001122268009 807632437 /nfs/dbraw/zinc/63/24/37/807632437.db2.gz UNIAITKNNWBQTH-NHYWBVRUSA-N 1 0 293.367 2.332 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000699439190 807706345 /nfs/dbraw/zinc/70/63/45/807706345.db2.gz OFGQZQDMLMOBHS-GXTWGEPZSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Oc1nc(OC)ccc1[N+](=O)[O-] ZINC001234879773 807728163 /nfs/dbraw/zinc/72/81/63/807728163.db2.gz SVIRSYFHNMQHEF-SNVBAGLBSA-N 1 0 283.328 2.108 20 5 CEBDRO CCOc1nc(NC2C[NH+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001162225940 809247086 /nfs/dbraw/zinc/24/70/86/809247086.db2.gz LWBYYFQAEKUAFC-UHFFFAOYSA-N 1 0 294.355 2.283 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000700403251 809309711 /nfs/dbraw/zinc/30/97/11/809309711.db2.gz GVWRQDGMDCDMPZ-LLVKDONJSA-N 1 0 250.298 2.363 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627979 809333504 /nfs/dbraw/zinc/33/35/04/809333504.db2.gz VSZHIJCFWLNJBO-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038622 809489047 /nfs/dbraw/zinc/48/90/47/809489047.db2.gz JRWJEYFWFKGJDS-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168763422 810130468 /nfs/dbraw/zinc/13/04/68/810130468.db2.gz GZZJLUZEQNXLGN-UHFFFAOYSA-N 1 0 291.355 2.471 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC001118579340 810316961 /nfs/dbraw/zinc/31/69/61/810316961.db2.gz FDBZFKMKJMDGOC-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)O[C@@H](C)C2 ZINC001229976463 810520617 /nfs/dbraw/zinc/52/06/17/810520617.db2.gz RCNRFMRDTBDMBN-NWDGAFQWSA-N 1 0 278.372 2.262 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1cnc(F)c([N+](=O)[O-])c1 ZINC001168768739 810685784 /nfs/dbraw/zinc/68/57/84/810685784.db2.gz HIIHNRMGDKTYSK-UHFFFAOYSA-N 1 0 270.308 2.129 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712334644 811193376 /nfs/dbraw/zinc/19/33/76/811193376.db2.gz VRRPNFVDWARBOE-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001122593242 815428542 /nfs/dbraw/zinc/42/85/42/815428542.db2.gz GMSMKTBALZPWHL-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC001122600070 815429636 /nfs/dbraw/zinc/42/96/36/815429636.db2.gz RFKHHSCIDYEBGP-NEPJUHHUSA-N 1 0 277.324 2.215 20 5 CEBDRO [NH3+][C@@H]1CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001156228689 811281521 /nfs/dbraw/zinc/28/15/21/811281521.db2.gz KPUFPWJSFSZXGB-MRVPVSSYSA-N 1 0 292.726 2.334 20 5 CEBDRO CC1(C)CC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)N1O ZINC001168976222 811305406 /nfs/dbraw/zinc/30/54/06/811305406.db2.gz ZSFONCLLDQIXLK-RYUDHWBXSA-N 1 0 299.415 2.432 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2)C1 ZINC001168977820 811307313 /nfs/dbraw/zinc/30/73/13/811307313.db2.gz MGCOLAHAECHGDD-LERXQTSPSA-N 1 0 298.770 2.408 20 5 CEBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978623 811308573 /nfs/dbraw/zinc/30/85/73/811308573.db2.gz TUWLEWOKNBWMBQ-SOUVJXGZSA-N 1 0 283.416 2.142 20 5 CEBDRO [NH3+][C@@H]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979710 811308596 /nfs/dbraw/zinc/30/85/96/811308596.db2.gz ZOFYSELKTHYDNE-MBNYWOFBSA-N 1 0 275.352 2.342 20 5 CEBDRO COc1cc(F)ccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986171 811309363 /nfs/dbraw/zinc/30/93/63/811309363.db2.gz WWNJJBZZZKFYBC-MFKMUULPSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC001168959446 811313875 /nfs/dbraw/zinc/31/38/75/811313875.db2.gz WITPZNIVSKNNNK-GXTWGEPZSA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001168965273 811316840 /nfs/dbraw/zinc/31/68/40/811316840.db2.gz YXVOWWIEIITBBZ-GMTAPVOTSA-N 1 0 262.300 2.457 20 5 CEBDRO [NH3+]CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168965713 811317171 /nfs/dbraw/zinc/31/71/71/811317171.db2.gz CFUXQAODSXAJMM-DZGCQCFKSA-N 1 0 283.416 2.415 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168967557 811318203 /nfs/dbraw/zinc/31/82/03/811318203.db2.gz QSCLRNQTLMYDAZ-PSASIEDQSA-N 1 0 283.278 2.325 20 5 CEBDRO CC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969523 811319725 /nfs/dbraw/zinc/31/97/25/811319725.db2.gz FEAVULIGNJXEAO-QEJZJMRPSA-N 1 0 276.336 2.352 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001168972688 811321521 /nfs/dbraw/zinc/32/15/21/811321521.db2.gz NQZDWCHMQANNQN-KGLIPLIRSA-N 1 0 282.384 2.228 20 5 CEBDRO CC(C)(O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972523 811322447 /nfs/dbraw/zinc/32/24/47/811322447.db2.gz NHPFSEUAHQLNNN-AAVRWANBSA-N 1 0 284.400 2.351 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001168975510 811322989 /nfs/dbraw/zinc/32/29/89/811322989.db2.gz VZTWXQQNTRELPS-KOLCDFICSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC001168997051 811325765 /nfs/dbraw/zinc/32/57/65/811325765.db2.gz XDUPYMAMBFJQCB-YUMQZZPRSA-N 1 0 275.761 2.332 20 5 CEBDRO COCc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168991965 811325954 /nfs/dbraw/zinc/32/59/54/811325954.db2.gz IOGSKWDIJKPMCA-DZGCQCFKSA-N 1 0 278.352 2.368 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(F)cn3)CC2)C1 ZINC001168998596 811326230 /nfs/dbraw/zinc/32/62/30/811326230.db2.gz OXAHYKDTCUSPBS-DGCLKSJQSA-N 1 0 293.342 2.287 20 5 CEBDRO Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168998184 811326269 /nfs/dbraw/zinc/32/62/69/811326269.db2.gz JGPDZJKZIDEFSK-BPLDGKMQSA-N 1 0 278.352 2.063 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccnc3)CC2)C1 ZINC001168998866 811326950 /nfs/dbraw/zinc/32/69/50/811326950.db2.gz QRFPMNBINRUFBG-HIFRSBDPSA-N 1 0 289.379 2.439 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001168997371 811327247 /nfs/dbraw/zinc/32/72/47/811327247.db2.gz CSGJJFLCGLMQJA-NEPJUHHUSA-N 1 0 278.356 2.143 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2Cl)C1 ZINC001169000914 811328695 /nfs/dbraw/zinc/32/86/95/811328695.db2.gz ZKQSYPRFKLPHSC-MISXGVKJSA-N 1 0 298.770 2.408 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccn1 ZINC001169001043 811329127 /nfs/dbraw/zinc/32/91/27/811329127.db2.gz CNCVNFQCXZRCBK-GMXVVIOVSA-N 1 0 279.340 2.186 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccc(F)cn23)C1 ZINC001169005329 811330673 /nfs/dbraw/zinc/33/06/73/811330673.db2.gz ANHXVGUQYLPAFE-ZYHUDNBSSA-N 1 0 292.314 2.008 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC001169007142 811332916 /nfs/dbraw/zinc/33/29/16/811332916.db2.gz LLVCANXGBXUPMI-GOEBONIOSA-N 1 0 289.379 2.254 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001169010926 811334412 /nfs/dbraw/zinc/33/44/12/811334412.db2.gz GFCQNNDHCBHTLH-ZNSHCXBVSA-N 1 0 260.284 2.019 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988303 811338128 /nfs/dbraw/zinc/33/81/28/811338128.db2.gz QSPGKYKGPDIGGF-JQWIXIFHSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ocnc3c2)C1 ZINC001168988905 811338298 /nfs/dbraw/zinc/33/82/98/811338298.db2.gz UXUCJGDJKGPJBJ-VXGBXAGGSA-N 1 0 275.308 2.363 20 5 CEBDRO COc1cccc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035170 811345590 /nfs/dbraw/zinc/34/55/90/811345590.db2.gz BAKIORZPHKVFFU-DGCLKSJQSA-N 1 0 276.336 2.456 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(C(F)F)CC2)C1 ZINC001169038258 811348262 /nfs/dbraw/zinc/34/82/62/811348262.db2.gz XMAZBONIJFHESH-KOLCDFICSA-N 1 0 262.300 2.409 20 5 CEBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037547 811349392 /nfs/dbraw/zinc/34/93/92/811349392.db2.gz SGOYWLAJODZRNY-XQQFMLRXSA-N 1 0 270.373 2.321 20 5 CEBDRO CCC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169042051 811350991 /nfs/dbraw/zinc/35/09/91/811350991.db2.gz CSRJDLFERHYUGN-UONOGXRCSA-N 1 0 271.405 2.096 20 5 CEBDRO CC(C)OC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023891 811354093 /nfs/dbraw/zinc/35/40/93/811354093.db2.gz GGUGMMKIJLXHRN-QWHCGFSZSA-N 1 0 270.373 2.321 20 5 CEBDRO CCN(CC)CC[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026570 811354452 /nfs/dbraw/zinc/35/44/52/811354452.db2.gz MYCJVBBNHPXSJU-ZIAGYGMSSA-N 1 0 271.405 2.096 20 5 CEBDRO CC(C)[N@H+](CCCCCO)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047616 811356999 /nfs/dbraw/zinc/35/69/99/811356999.db2.gz RSNWXFGIMHXNCF-UONOGXRCSA-N 1 0 272.389 2.305 20 5 CEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169231444 811445874 /nfs/dbraw/zinc/44/58/74/811445874.db2.gz JQPZECQKPDSIAE-QMMMGPOBSA-N 1 0 264.260 2.248 20 5 CEBDRO COc1ncc([N+](=O)[O-])cc1NC(C)(C)CC[NH+](C)C ZINC001169717083 811639775 /nfs/dbraw/zinc/63/97/75/811639775.db2.gz BTDWFCYHFVAITJ-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001169718634 811641943 /nfs/dbraw/zinc/64/19/43/811641943.db2.gz OZGHOPSVRNBRSJ-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1cccc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170023802 811953396 /nfs/dbraw/zinc/95/33/96/811953396.db2.gz MFJUJXJQAYYHPS-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2COC2)c([N+](=O)[O-])c1 ZINC001170306223 812374730 /nfs/dbraw/zinc/37/47/30/812374730.db2.gz SJGUAKNRVHXHPB-LLVKDONJSA-N 1 0 294.351 2.161 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170299211 812377403 /nfs/dbraw/zinc/37/74/03/812377403.db2.gz SJKOUEUHISQHQC-WCFLWFBJSA-N 1 0 294.351 2.037 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170290997 812384301 /nfs/dbraw/zinc/38/43/01/812384301.db2.gz FWUHULBBVUOHFW-WDEREUQCSA-N 1 0 282.340 2.159 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001170329746 812389482 /nfs/dbraw/zinc/38/94/82/812389482.db2.gz SXIXKUBSDHWDSU-LLVKDONJSA-N 1 0 262.309 2.406 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170347968 812398614 /nfs/dbraw/zinc/39/86/14/812398614.db2.gz UBMKMNDVIIKOMG-DGCLKSJQSA-N 1 0 294.351 2.255 20 5 CEBDRO [NH3+]Cc1cnn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172901990 815539374 /nfs/dbraw/zinc/53/93/74/815539374.db2.gz SDEWZKNVTZCZNZ-CQSZACIVSA-N 1 0 286.335 2.370 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172901870 815539822 /nfs/dbraw/zinc/53/98/22/815539822.db2.gz QMLMGMONTSDEQP-OFQRWUPVSA-N 1 0 290.363 2.345 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899723 815539830 /nfs/dbraw/zinc/53/98/30/815539830.db2.gz OYIZEZMARUBZFF-UKRRQHHQSA-N 1 0 278.352 2.203 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158175063 812619152 /nfs/dbraw/zinc/61/91/52/812619152.db2.gz BJCSUFLPFRBZCR-DTORHVGOSA-N 1 0 284.747 2.138 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CC[C@H]4C3)c2c1 ZINC001158435039 812706606 /nfs/dbraw/zinc/70/66/06/812706606.db2.gz VMTACPHHTSFXSR-ZDUSSCGKSA-N 1 0 284.319 2.037 20 5 CEBDRO C[NH+](C)C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910093 815557796 /nfs/dbraw/zinc/55/77/96/815557796.db2.gz WWINVIXOIFDHSY-AWEZNQCLSA-N 1 0 289.379 2.088 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])c2ccccc21)C(C)(C)C[NH3+] ZINC001159054863 813206969 /nfs/dbraw/zinc/20/69/69/813206969.db2.gz UKEWKGBTVIFSIS-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc2cccnc2c2ncccc12 ZINC001170865092 813561169 /nfs/dbraw/zinc/56/11/69/813561169.db2.gz YMDZHSQWHLRUKZ-MRXNPFEDSA-N 1 0 282.347 2.252 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC[C@@H](C)[NH3+] ZINC001170890541 813618516 /nfs/dbraw/zinc/61/85/16/813618516.db2.gz BPLZMDNAFZQWDL-SECBINFHSA-N 1 0 253.302 2.061 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC2)c1F ZINC001173176122 815616836 /nfs/dbraw/zinc/61/68/36/815616836.db2.gz YALONMYFEUWGGV-QMMMGPOBSA-N 1 0 268.288 2.426 20 5 CEBDRO CC[C@H](C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[NH+](C)C ZINC001124044327 815591589 /nfs/dbraw/zinc/59/15/89/815591589.db2.gz RXVQZTWNAKKOOV-GFCCVEGCSA-N 1 0 265.313 2.182 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@H]1CCOC1 ZINC001173227087 815631562 /nfs/dbraw/zinc/63/15/62/815631562.db2.gz NWACVQUHGFCEAU-RISCZKNCSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001173234020 815632135 /nfs/dbraw/zinc/63/21/35/815632135.db2.gz OBRLLYJKOIPWLD-SNPRPXQTSA-N 1 0 290.363 2.494 20 5 CEBDRO CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CN(C)C1 ZINC001173232627 815632163 /nfs/dbraw/zinc/63/21/63/815632163.db2.gz RXYSZGSSSBIHEO-GFCCVEGCSA-N 1 0 277.368 2.162 20 5 CEBDRO CO[C@@H](C)C1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231636 815632389 /nfs/dbraw/zinc/63/23/89/815632389.db2.gz NGOGOUGKDSNMHI-NEPJUHHUSA-N 1 0 278.352 2.493 20 5 CEBDRO COc1ccc(Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC001176359116 816400485 /nfs/dbraw/zinc/40/04/85/816400485.db2.gz CWPQGFUETZMUKR-UHFFFAOYSA-N 1 0 259.265 2.472 20 5 CEBDRO CCOC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124488403 187139663 /nfs/dbraw/zinc/13/96/63/187139663.db2.gz DJWUPYKTDTWGRS-UHFFFAOYSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298506 346815327 /nfs/dbraw/zinc/81/53/27/346815327.db2.gz IXNCJIDXXWGFFQ-KWQFWETISA-N 1 0 274.267 2.262 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294961102 199272152 /nfs/dbraw/zinc/27/21/52/199272152.db2.gz FVOKOCKNHVKUAN-RYUDHWBXSA-N 1 0 293.367 2.469 20 5 CEBDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035274155 361819657 /nfs/dbraw/zinc/81/96/57/361819657.db2.gz NHFRTCPJSDCPRR-CQSZACIVSA-N 1 0 286.335 2.496 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000121820371 365619332 /nfs/dbraw/zinc/61/93/32/365619332.db2.gz AGBCPXYSBORGAK-YPMHNXCESA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@H]1O ZINC000449167694 282128963 /nfs/dbraw/zinc/12/89/63/282128963.db2.gz BFLHCKQCGJVPCI-UXIGCNINSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334279 346823499 /nfs/dbraw/zinc/82/34/99/346823499.db2.gz JYSKXWOZIAZDGD-XJKSGUPXSA-N 1 0 289.379 2.477 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794870 361859692 /nfs/dbraw/zinc/85/96/92/361859692.db2.gz NPZXMVANNWGKSE-ZWNOBZJWSA-N 1 0 279.340 2.160 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794866 361859700 /nfs/dbraw/zinc/85/97/00/361859700.db2.gz NPZXMVANNWGKSE-GXFFZTMASA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000037870881 361957851 /nfs/dbraw/zinc/95/78/51/361957851.db2.gz TYOJKXLBBMAIPY-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449259411 282161233 /nfs/dbraw/zinc/16/12/33/282161233.db2.gz TZXQXOXEQSLUAW-LLVKDONJSA-N 1 0 292.335 2.069 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000449261497 282161608 /nfs/dbraw/zinc/16/16/08/282161608.db2.gz CEJPKVVZOKHQHU-GFCCVEGCSA-N 1 0 278.352 2.278 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847724 290663411 /nfs/dbraw/zinc/66/34/11/290663411.db2.gz OZMYRMZEHMHGHY-CABCVRRESA-N 1 0 294.351 2.244 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007960756 343360363 /nfs/dbraw/zinc/36/03/63/343360363.db2.gz AZCMKMCNMVSLCY-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028903715 343397946 /nfs/dbraw/zinc/39/79/46/343397946.db2.gz ABKPVUUETFDCKF-GFCCVEGCSA-N 1 0 291.351 2.290 20 5 CEBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030270417 343404082 /nfs/dbraw/zinc/40/40/82/343404082.db2.gz ABTFHFRNBHHOKW-JTQLQIEISA-N 1 0 279.340 2.314 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037404426 343427284 /nfs/dbraw/zinc/42/72/84/343427284.db2.gz LHZRHQVKXYTZOU-LLVKDONJSA-N 1 0 261.325 2.491 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000047496267 362209495 /nfs/dbraw/zinc/20/94/95/362209495.db2.gz RJZXXXBJOIUQAL-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000041671118 343442363 /nfs/dbraw/zinc/44/23/63/343442363.db2.gz LAURHBUOSCOCBW-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127451106 365748692 /nfs/dbraw/zinc/74/86/92/365748692.db2.gz AWTVYWDEWYXCBI-MVGZEHJDSA-N 1 0 291.351 2.098 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000127671723 365758087 /nfs/dbraw/zinc/75/80/87/365758087.db2.gz MMCQCVZYPHUTLA-CMDGGOBGSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000047698391 343520999 /nfs/dbraw/zinc/52/09/99/343520999.db2.gz XJMUMGWZMMLKKQ-GFCCVEGCSA-N 1 0 264.325 2.453 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000047920000 343522847 /nfs/dbraw/zinc/52/28/47/343522847.db2.gz RGORUZYRMIGWPL-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000038042142 282274740 /nfs/dbraw/zinc/27/47/40/282274740.db2.gz KFAXHIVIDZJHLC-LLVKDONJSA-N 1 0 295.387 2.171 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000052072487 343555302 /nfs/dbraw/zinc/55/53/02/343555302.db2.gz BWQCUSKCWQQYTD-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H]1C[NH2+]CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054374875 343589156 /nfs/dbraw/zinc/58/91/56/343589156.db2.gz VVJQFNOFIFJQEA-MRVPVSSYSA-N 1 0 255.705 2.046 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000057854533 343639293 /nfs/dbraw/zinc/63/92/93/343639293.db2.gz OXHSIGHHUSNSON-UHFFFAOYSA-N 1 0 293.302 2.236 20 5 CEBDRO Cc1c(C[N@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000064516064 343691271 /nfs/dbraw/zinc/69/12/71/343691271.db2.gz YKMFZBASXJIDOZ-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000602018300 346961500 /nfs/dbraw/zinc/96/15/00/346961500.db2.gz YLUFXRRCCKKVEQ-UHFFFAOYSA-N 1 0 287.363 2.311 20 5 CEBDRO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602073499 346968949 /nfs/dbraw/zinc/96/89/49/346968949.db2.gz OWGNDBUIMXATSI-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128085877 187349760 /nfs/dbraw/zinc/34/97/60/187349760.db2.gz VCUOOBYPPDMKIP-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076836008 343899965 /nfs/dbraw/zinc/89/99/65/343899965.db2.gz ZZZZXYBWLMUVBM-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1ccc(C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000127061001 187279873 /nfs/dbraw/zinc/27/98/73/187279873.db2.gz RNXPCULBAVRYNL-UHFFFAOYSA-N 1 0 264.325 2.108 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078562634 343957150 /nfs/dbraw/zinc/95/71/50/343957150.db2.gz LGTUJZVMYUKOHM-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449652873 282319965 /nfs/dbraw/zinc/31/99/65/282319965.db2.gz YRIXICZPLAYCQX-VXGBXAGGSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](C)CCO ZINC000295087000 199338755 /nfs/dbraw/zinc/33/87/55/199338755.db2.gz IWXLZPNZQNABJP-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO COc1cc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000091482840 344164942 /nfs/dbraw/zinc/16/49/42/344164942.db2.gz VSVKJWCFXGLOMH-SNVBAGLBSA-N 1 0 297.330 2.496 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899128 344173560 /nfs/dbraw/zinc/17/35/60/344173560.db2.gz VNZSSZJTIRZDEV-HIFRSBDPSA-N 1 0 278.352 2.496 20 5 CEBDRO Cn1cc(C[N@H+](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602429303 347029512 /nfs/dbraw/zinc/02/95/12/347029512.db2.gz PIDWHZHGZCLGKH-UHFFFAOYSA-N 1 0 252.318 2.093 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413083 344139703 /nfs/dbraw/zinc/13/97/03/344139703.db2.gz BEXRFFFGRZYEID-BXUZGUMPSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129255572 344342681 /nfs/dbraw/zinc/34/26/81/344342681.db2.gz NGFAPWYTAWNNEB-GZMMTYOYSA-N 1 0 297.742 2.200 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000122530492 344307080 /nfs/dbraw/zinc/30/70/80/344307080.db2.gz CMEWLHRZVMRHLH-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135217166 344380094 /nfs/dbraw/zinc/38/00/94/344380094.db2.gz BQDCFPPVDWDVPL-BXUZGUMPSA-N 1 0 291.351 2.245 20 5 CEBDRO COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963108 362388030 /nfs/dbraw/zinc/38/80/30/362388030.db2.gz HEDXJGKPDGLDCF-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(CO)cc2)cc1 ZINC000157927738 344449162 /nfs/dbraw/zinc/44/91/62/344449162.db2.gz GKSULTPONXOMEI-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO CCc1nn(C)c(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000158149028 344450047 /nfs/dbraw/zinc/45/00/47/344450047.db2.gz ALXCLHRQUHBCQQ-UHFFFAOYSA-N 1 0 295.387 2.177 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000161532354 344464050 /nfs/dbraw/zinc/46/40/50/344464050.db2.gz OCCGXNSDSBHNID-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000161532458 344464320 /nfs/dbraw/zinc/46/43/20/344464320.db2.gz OCCGXNSDSBHNID-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000162717252 344468785 /nfs/dbraw/zinc/46/87/85/344468785.db2.gz HVBIZIBGXGQVPR-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1c(CN2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177224 344558690 /nfs/dbraw/zinc/55/86/90/344558690.db2.gz VKZUKEAGSZJXKG-ZWNOBZJWSA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000228560513 344560903 /nfs/dbraw/zinc/56/09/03/344560903.db2.gz PCGDKYJEVLWMGI-NSHDSACASA-N 1 0 274.280 2.378 20 5 CEBDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235510427 344591540 /nfs/dbraw/zinc/59/15/40/344591540.db2.gz JNKRNLUXFNRJOF-WCQYABFASA-N 1 0 263.341 2.388 20 5 CEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280793264 344675033 /nfs/dbraw/zinc/67/50/33/344675033.db2.gz RFUXINSUBHMDPZ-NTZNESFSSA-N 1 0 292.335 2.397 20 5 CEBDRO C[NH2+][C@H](C)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000313449733 344742386 /nfs/dbraw/zinc/74/23/86/344742386.db2.gz BVIDKJUBJOFYGH-MRVPVSSYSA-N 1 0 295.730 2.168 20 5 CEBDRO C[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602563000 347079032 /nfs/dbraw/zinc/07/90/32/347079032.db2.gz LAWSSDGGNMJYJO-ZETCQYMHSA-N 1 0 278.230 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC=CC3)CC2)cn1 ZINC000602566842 347081089 /nfs/dbraw/zinc/08/10/89/347081089.db2.gz BZMYMMZCLCLSKU-UHFFFAOYSA-N 1 0 288.351 2.267 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602568940 347081578 /nfs/dbraw/zinc/08/15/78/347081578.db2.gz PNIXQLURBRCALU-MRVPVSSYSA-N 1 0 292.257 2.474 20 5 CEBDRO CC[C@@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776078 282362849 /nfs/dbraw/zinc/36/28/49/282362849.db2.gz OCNNNPYLQGXYMN-KOTGUFOOSA-N 1 0 291.351 2.112 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401162239 344866917 /nfs/dbraw/zinc/86/69/17/344866917.db2.gz NMMHQZLOFRCJIM-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CO)CCC1 ZINC000590019449 345110893 /nfs/dbraw/zinc/11/08/93/345110893.db2.gz YJSUFFDEEGWYQI-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590403175 345133745 /nfs/dbraw/zinc/13/37/45/345133745.db2.gz JAOSAZSXCJQLJQ-BXUZGUMPSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590404091 345133983 /nfs/dbraw/zinc/13/39/83/345133983.db2.gz TWRPIRFNIFECFS-SMDDNHRTSA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282847 345237459 /nfs/dbraw/zinc/23/74/59/345237459.db2.gz UQQLGSQKUVAJET-CYBMUJFWSA-N 1 0 275.352 2.359 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281901 345237602 /nfs/dbraw/zinc/23/76/02/345237602.db2.gz UDXZZHDLQRDLED-XBFCOCLRSA-N 1 0 295.358 2.206 20 5 CEBDRO Cc1nc(N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000591442910 345256362 /nfs/dbraw/zinc/25/63/62/345256362.db2.gz NAIWMRSJZGTFPZ-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591448657 345257007 /nfs/dbraw/zinc/25/70/07/345257007.db2.gz LRNKGRSDGLWKKL-BNOWGMLFSA-N 1 0 275.352 2.482 20 5 CEBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591428490 345251210 /nfs/dbraw/zinc/25/12/10/345251210.db2.gz OVLCSOYYWCHMDT-JQWIXIFHSA-N 1 0 286.335 2.317 20 5 CEBDRO CC[C@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577298 345266208 /nfs/dbraw/zinc/26/62/08/345266208.db2.gz NKBQLLOTEANDPR-AWEZNQCLSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000592211483 345339125 /nfs/dbraw/zinc/33/91/25/345339125.db2.gz YKKILVNCKHYDPU-NSHDSACASA-N 1 0 279.340 2.209 20 5 CEBDRO COc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357199 345345120 /nfs/dbraw/zinc/34/51/20/345345120.db2.gz TYVCLCWKCAWIRA-VIFPVBQESA-N 1 0 290.279 2.078 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000592380635 345348271 /nfs/dbraw/zinc/34/82/71/345348271.db2.gz WVPGCKAPHQBGHQ-YJLKIPLNSA-N 1 0 262.309 2.375 20 5 CEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc([N+](=O)[O-])c1C ZINC000592486532 345359277 /nfs/dbraw/zinc/35/92/77/345359277.db2.gz JGAYBJDFLWBLEE-STQMWFEESA-N 1 0 281.331 2.035 20 5 CEBDRO Cc1ccccc1C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139877 345328289 /nfs/dbraw/zinc/32/82/89/345328289.db2.gz MARGTGARFMEIAQ-UHFFFAOYSA-N 1 0 286.335 2.379 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000593688128 345521258 /nfs/dbraw/zinc/52/12/58/345521258.db2.gz WJUPPKQHGRTOSP-DGCLKSJQSA-N 1 0 284.331 2.226 20 5 CEBDRO CC[C@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719352 345526994 /nfs/dbraw/zinc/52/69/94/345526994.db2.gz WWUMDBUJEPHPIB-YPMHNXCESA-N 1 0 270.304 2.356 20 5 CEBDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722809 345527990 /nfs/dbraw/zinc/52/79/90/345527990.db2.gz ZAYXZMVFEFBBNY-SWLSCSKDSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000339114593 214961619 /nfs/dbraw/zinc/96/16/19/214961619.db2.gz RDSLUASOIXGMBJ-GFCCVEGCSA-N 1 0 279.340 2.019 20 5 CEBDRO [NH3+]C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739838 345683490 /nfs/dbraw/zinc/68/34/90/345683490.db2.gz YMWYMHBDJXEMCN-FNORWQNLSA-N 1 0 275.352 2.469 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nccs2)c1 ZINC000060390890 362660545 /nfs/dbraw/zinc/66/05/45/362660545.db2.gz RTFNINJNALDHNP-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595288272 345754692 /nfs/dbraw/zinc/75/46/92/345754692.db2.gz MRDPXSQBBKJWKM-ZFWWWQNUSA-N 1 0 294.351 2.078 20 5 CEBDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000594929450 345706293 /nfs/dbraw/zinc/70/62/93/345706293.db2.gz JYVJVNRBWJZQGD-OLZOCXBDSA-N 1 0 264.325 2.294 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000594938697 345710126 /nfs/dbraw/zinc/71/01/26/345710126.db2.gz OKCYIYBYTFYOEV-WCFLWFBJSA-N 1 0 292.335 2.190 20 5 CEBDRO COc1cc(C[NH2+]CCc2ccoc2)c([N+](=O)[O-])cc1O ZINC000594982511 345721172 /nfs/dbraw/zinc/72/11/72/345721172.db2.gz ULVNIGVUWITRQC-UHFFFAOYSA-N 1 0 292.291 2.234 20 5 CEBDRO CCCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594990912 345722474 /nfs/dbraw/zinc/72/24/74/345722474.db2.gz CMLTWHSBENPTCP-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)OC ZINC000595043733 345733289 /nfs/dbraw/zinc/73/32/89/345733289.db2.gz ZRADTIDXMZGSMD-NXEZZACHSA-N 1 0 268.313 2.289 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312816 345760667 /nfs/dbraw/zinc/76/06/67/345760667.db2.gz NCXMZIBQDXFJKS-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO CCCN(CC[NH+](CC)CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595434866 345781938 /nfs/dbraw/zinc/78/19/38/345781938.db2.gz HFPXZBYAFIMJQO-UHFFFAOYSA-N 1 0 298.387 2.445 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595470041 345791444 /nfs/dbraw/zinc/79/14/44/345791444.db2.gz ZLQSWKCRMMQEJP-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO Cc1noc(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595490157 345794567 /nfs/dbraw/zinc/79/45/67/345794567.db2.gz DSTIKDJOQYSJAB-CMPLNLGQSA-N 1 0 297.355 2.407 20 5 CEBDRO COC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595522218 345803484 /nfs/dbraw/zinc/80/34/84/345803484.db2.gz JPMSGGDPJRPFFM-LLVKDONJSA-N 1 0 283.328 2.140 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595752316 345866661 /nfs/dbraw/zinc/86/66/61/345866661.db2.gz XFHVFQIBCPVFOQ-GHMZBOCLSA-N 1 0 294.351 2.052 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757457 345868479 /nfs/dbraw/zinc/86/84/79/345868479.db2.gz JLVXYLFQFWFNJD-JSGCOSHPSA-N 1 0 262.309 2.063 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595808967 345880997 /nfs/dbraw/zinc/88/09/97/345880997.db2.gz PUHWDKYVFASZCC-RYUDHWBXSA-N 1 0 262.309 2.315 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOCCF ZINC000596057209 345929547 /nfs/dbraw/zinc/92/95/47/345929547.db2.gz KLGCVDLQNGHNBU-HWKANZROSA-N 1 0 268.288 2.184 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875532 345903734 /nfs/dbraw/zinc/90/37/34/345903734.db2.gz QMKCGDHMHBXILO-BXUZGUMPSA-N 1 0 264.325 2.045 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595960422 345917976 /nfs/dbraw/zinc/91/79/76/345917976.db2.gz FHBXHFUNPZFZBU-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO COCC[N@H+](C)CCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596074310 345933535 /nfs/dbraw/zinc/93/35/35/345933535.db2.gz QJFJVOGFMUNREB-UHFFFAOYSA-N 1 0 287.385 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000596091542 345937694 /nfs/dbraw/zinc/93/76/94/345937694.db2.gz MYNCHDUUBLSBIS-LBPRGKRZSA-N 1 0 298.346 2.214 20 5 CEBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000596105690 345940658 /nfs/dbraw/zinc/94/06/58/345940658.db2.gz LYYRBMMFTFCXAG-VXGBXAGGSA-N 1 0 287.722 2.119 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000596305863 345994983 /nfs/dbraw/zinc/99/49/83/345994983.db2.gz BOPYAGHCDDKYCF-SNVBAGLBSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000128291706 187361841 /nfs/dbraw/zinc/36/18/41/187361841.db2.gz FJOLRAXMANPPFC-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596305864 345995468 /nfs/dbraw/zinc/99/54/68/345995468.db2.gz BSYQMYSJNVDMSX-JTQLQIEISA-N 1 0 294.355 2.228 20 5 CEBDRO Cc1cnc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596433835 346022565 /nfs/dbraw/zinc/02/25/65/346022565.db2.gz URVBUZQOJSHBEF-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000311394211 201890412 /nfs/dbraw/zinc/89/04/12/201890412.db2.gz BLTBEBQSLVWKFC-QWHCGFSZSA-N 1 0 264.325 2.236 20 5 CEBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947439 346256193 /nfs/dbraw/zinc/25/61/93/346256193.db2.gz YHCDNHLSOJUDQR-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000598343045 346331933 /nfs/dbraw/zinc/33/19/33/346331933.db2.gz POGCFBYKTVUWQG-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598265545 346316797 /nfs/dbraw/zinc/31/67/97/346316797.db2.gz UJQXALFIHLMPKE-LLVKDONJSA-N 1 0 295.339 2.038 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H](C)[NH2+]1 ZINC000598532442 346371812 /nfs/dbraw/zinc/37/18/12/346371812.db2.gz YTYKIIQNSXVCGA-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598680431 346399201 /nfs/dbraw/zinc/39/92/01/346399201.db2.gz BQLZEUPGIVIGGS-ZLDLUXBVSA-N 1 0 275.352 2.469 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649149 346393445 /nfs/dbraw/zinc/39/34/45/346393445.db2.gz WPUSZKJMHNKURK-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916406 346433794 /nfs/dbraw/zinc/43/37/94/346433794.db2.gz YFYMZWFYJDHBIE-MRVPVSSYSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598915754 346433977 /nfs/dbraw/zinc/43/39/77/346433977.db2.gz NYLLDEPDOJVPID-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598996275 346444070 /nfs/dbraw/zinc/44/40/70/346444070.db2.gz FKCDOXIEZHVSCW-OLZOCXBDSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[C@@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599078786 346456804 /nfs/dbraw/zinc/45/68/04/346456804.db2.gz BALOMAUJUPLZQU-CYBMUJFWSA-N 1 0 250.298 2.282 20 5 CEBDRO C/C=C/C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599080618 346457480 /nfs/dbraw/zinc/45/74/80/346457480.db2.gz IAHVLXZMCLGQQN-PGLGOXFNSA-N 1 0 277.324 2.478 20 5 CEBDRO CCC(CC)[NH2+]CCNc1cccnc1[N+](=O)[O-] ZINC000599098377 346459839 /nfs/dbraw/zinc/45/98/39/346459839.db2.gz SQHXLUACODANNZ-UHFFFAOYSA-N 1 0 252.318 2.180 20 5 CEBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125735 346463854 /nfs/dbraw/zinc/46/38/54/346463854.db2.gz ATSMJHBEOXMRNX-ZDUSSCGKSA-N 1 0 290.367 2.231 20 5 CEBDRO CC[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178556 346474661 /nfs/dbraw/zinc/47/46/61/346474661.db2.gz AAZNAJJYYPTMBT-GXSJLCMTSA-N 1 0 267.304 2.311 20 5 CEBDRO CC[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180978 346475309 /nfs/dbraw/zinc/47/53/09/346475309.db2.gz RQYPCDVYGIUKLQ-DTWKUNHWSA-N 1 0 255.343 2.233 20 5 CEBDRO CO[C@H]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000599190376 346476897 /nfs/dbraw/zinc/47/68/97/346476897.db2.gz XZTCTIFWTDCGCK-UMSPYCQHSA-N 1 0 287.319 2.463 20 5 CEBDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710061 346675132 /nfs/dbraw/zinc/67/51/32/346675132.db2.gz NSVDVRMSKGNLCU-NTZNESFSSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129345103 365849516 /nfs/dbraw/zinc/84/95/16/365849516.db2.gz ODAUPDBISQNRGI-WYRIXSBYSA-N 1 0 284.381 2.150 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000601127227 346761428 /nfs/dbraw/zinc/76/14/28/346761428.db2.gz CJXWFJDEZMKLPY-WCBMZHEXSA-N 1 0 280.303 2.166 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000601130048 346763309 /nfs/dbraw/zinc/76/33/09/346763309.db2.gz DDGMWLZNXGHTAW-CMPLNLGQSA-N 1 0 294.330 2.049 20 5 CEBDRO C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])c1nccn1C ZINC000601199475 346785377 /nfs/dbraw/zinc/78/53/77/346785377.db2.gz VOUKXOWGTVHKGQ-ZETCQYMHSA-N 1 0 265.248 2.036 20 5 CEBDRO CCn1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602693959 347152250 /nfs/dbraw/zinc/15/22/50/347152250.db2.gz IBOQZOATYZKZLU-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO CCOc1cc(NC[C@H](C)C[NH2+]C)ccc1[N+](=O)[O-] ZINC000129546221 365871163 /nfs/dbraw/zinc/87/11/63/365871163.db2.gz NTRJGWDBTZHRDL-SNVBAGLBSA-N 1 0 267.329 2.261 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000602773328 347191916 /nfs/dbraw/zinc/19/19/16/347191916.db2.gz NTALVVZHYURCBL-CYBMUJFWSA-N 1 0 278.356 2.364 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000602775309 347193232 /nfs/dbraw/zinc/19/32/32/347193232.db2.gz HHHGAGRVVKXFEF-GHMZBOCLSA-N 1 0 266.345 2.363 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C(C)C)CC1 ZINC000602779933 347195082 /nfs/dbraw/zinc/19/50/82/347195082.db2.gz GMNXKSSLXQREES-UHFFFAOYSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000602801898 347204723 /nfs/dbraw/zinc/20/47/23/347204723.db2.gz VPGJZMSVKKRBGO-QWRGUYRKSA-N 1 0 266.345 2.078 20 5 CEBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803354 347205989 /nfs/dbraw/zinc/20/59/89/347205989.db2.gz XEDYMXNCSNKTMT-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814697 347211191 /nfs/dbraw/zinc/21/11/91/347211191.db2.gz NCQXTDZLRVZOQG-JQWIXIFHSA-N 1 0 266.345 2.339 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCC1 ZINC000602762088 347187911 /nfs/dbraw/zinc/18/79/11/347187911.db2.gz HAOYBXLDJHOTFD-UHFFFAOYSA-N 1 0 266.345 2.364 20 5 CEBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823562 347213571 /nfs/dbraw/zinc/21/35/71/347213571.db2.gz VNNPDFHGCMTWHC-VXGBXAGGSA-N 1 0 266.345 2.268 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc[nH]c(=O)c1 ZINC000602830113 347216382 /nfs/dbraw/zinc/21/63/82/347216382.db2.gz KPWNEYPMKNCSTE-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602832691 347217459 /nfs/dbraw/zinc/21/74/59/347217459.db2.gz VRCLHMJNQBMAMB-MNOVXSKESA-N 1 0 284.385 2.092 20 5 CEBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602844054 347221300 /nfs/dbraw/zinc/22/13/00/347221300.db2.gz YKHDKWXBSHPWSW-MFKMUULPSA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000602845126 347222271 /nfs/dbraw/zinc/22/22/71/347222271.db2.gz FNIYKGFFAKRMMQ-ZDUSSCGKSA-N 1 0 278.356 2.222 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602981335 347265035 /nfs/dbraw/zinc/26/50/35/347265035.db2.gz BQJBABXGEROTCK-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(CCCC[NH3+])nn1 ZINC000603186812 347303253 /nfs/dbraw/zinc/30/32/53/347303253.db2.gz WAZYFBRIMJDAAC-NSHDSACASA-N 1 0 289.339 2.077 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185818 347303433 /nfs/dbraw/zinc/30/34/33/347303433.db2.gz NZTKMMVXZZHPGD-HZMBPMFUSA-N 1 0 289.339 2.451 20 5 CEBDRO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610447439 347682041 /nfs/dbraw/zinc/68/20/41/347682041.db2.gz MLABPOANUARYKJ-UHFFFAOYSA-N 1 0 290.323 2.357 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccs1 ZINC000610782744 347714280 /nfs/dbraw/zinc/71/42/80/347714280.db2.gz VNGVYMJAQNXFSP-UHFFFAOYSA-N 1 0 280.353 2.293 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000610871130 347719889 /nfs/dbraw/zinc/71/98/89/347719889.db2.gz HRJNMNXMYAGVDX-ZDUSSCGKSA-N 1 0 290.319 2.129 20 5 CEBDRO COCC[N@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000611411521 347775479 /nfs/dbraw/zinc/77/54/79/347775479.db2.gz JUFWCVHYKCTGDW-UHFFFAOYSA-N 1 0 273.358 2.037 20 5 CEBDRO C[C@H](Cc1cnn(C)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000611255173 347759251 /nfs/dbraw/zinc/75/92/51/347759251.db2.gz WEHGLFAIRWZIHQ-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO CC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611617396 347799650 /nfs/dbraw/zinc/79/96/50/347799650.db2.gz MYVVHCBBXPQLKD-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CC ZINC000336843744 365917258 /nfs/dbraw/zinc/91/72/58/365917258.db2.gz XQBAEBFGNOAOJZ-NSHDSACASA-N 1 0 281.360 2.016 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000611515903 347789007 /nfs/dbraw/zinc/78/90/07/347789007.db2.gz QTNFZTRFXHWCFA-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336889113 365936210 /nfs/dbraw/zinc/93/62/10/365936210.db2.gz FWYHMUQCRNIMIM-YGRLFVJLSA-N 1 0 282.315 2.375 20 5 CEBDRO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCOC(C)(C)C1 ZINC000351926635 219251248 /nfs/dbraw/zinc/25/12/48/219251248.db2.gz OWZLAHJGAZEVOE-NSHDSACASA-N 1 0 296.371 2.108 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@H](C)CO ZINC000273347538 192121798 /nfs/dbraw/zinc/12/17/98/192121798.db2.gz AGQZTLJQSRDDRF-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000128878442 187395812 /nfs/dbraw/zinc/39/58/12/187395812.db2.gz HHTFWXXYYQIREB-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000128914164 187398824 /nfs/dbraw/zinc/39/88/24/187398824.db2.gz WCJDNYWEPDZPAA-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000617976685 348843179 /nfs/dbraw/zinc/84/31/79/348843179.db2.gz TUBMSDPWJUKOJX-GFCCVEGCSA-N 1 0 276.340 2.419 20 5 CEBDRO NC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000339533149 215232610 /nfs/dbraw/zinc/23/26/10/215232610.db2.gz CTCDKSAGAVTMNV-HNNXBMFYSA-N 1 0 299.330 2.301 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000619480699 349187207 /nfs/dbraw/zinc/18/72/07/349187207.db2.gz MQSAVQRJZVJGGC-LBPRGKRZSA-N 1 0 293.371 2.016 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC1CC([NH+]2CCCCC2)C1 ZINC000619503791 349189712 /nfs/dbraw/zinc/18/97/12/349189712.db2.gz LLWDCQSETUEHCS-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO COc1cc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621990 215272659 /nfs/dbraw/zinc/27/26/59/215272659.db2.gz WPWMSXTWRPUGJV-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000619695359 349219355 /nfs/dbraw/zinc/21/93/55/349219355.db2.gz VMNSPGXBBXQVJF-VIFPVBQESA-N 1 0 270.358 2.018 20 5 CEBDRO CC1(C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619705817 349225670 /nfs/dbraw/zinc/22/56/70/349225670.db2.gz SCNPXJXKUUXLBG-GFCCVEGCSA-N 1 0 277.324 2.312 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000619531341 349194629 /nfs/dbraw/zinc/19/46/29/349194629.db2.gz QAJFAWOVDISILD-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC(C)(C)C ZINC000619531595 349194786 /nfs/dbraw/zinc/19/47/86/349194786.db2.gz LRIYONYIOVGFCI-UHFFFAOYSA-N 1 0 296.367 2.444 20 5 CEBDRO CC[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692104 180024487 /nfs/dbraw/zinc/02/44/87/180024487.db2.gz FVVKBYQNXPBUAH-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721700 180032246 /nfs/dbraw/zinc/03/22/46/180032246.db2.gz SQWVXWYDNQTYST-DGCLKSJQSA-N 1 0 263.341 2.167 20 5 CEBDRO COc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720434 180029992 /nfs/dbraw/zinc/02/99/92/180029992.db2.gz IFNKUFBWOBHDHD-YPMHNXCESA-N 1 0 293.367 2.176 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411867472 233293479 /nfs/dbraw/zinc/29/34/79/233293479.db2.gz IWRYDLKAAVKHPX-UHFFFAOYSA-N 1 0 296.396 2.190 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000412062971 233326438 /nfs/dbraw/zinc/32/64/38/233326438.db2.gz AWZMQLURJQANOF-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[NH+]1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105454802 186057977 /nfs/dbraw/zinc/05/79/77/186057977.db2.gz UBEASEUQEMJINI-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO C[C@H](CNCc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000105489224 186060349 /nfs/dbraw/zinc/06/03/49/186060349.db2.gz YTQYPBOXPIKYGU-LLVKDONJSA-N 1 0 263.341 2.167 20 5 CEBDRO CC[N@H+](C[C@H](C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194207 219355362 /nfs/dbraw/zinc/35/53/62/219355362.db2.gz IRDNYNOIEUMRQL-WDEREUQCSA-N 1 0 252.314 2.359 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107692025 186186801 /nfs/dbraw/zinc/18/68/01/186186801.db2.gz YGAOKTZIFIBGAQ-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO [NH3+]CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000070187532 363049503 /nfs/dbraw/zinc/04/95/03/363049503.db2.gz CJULOFSDOKNQLI-UHFFFAOYSA-N 1 0 269.370 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000070187743 363049884 /nfs/dbraw/zinc/04/98/84/363049884.db2.gz MRCMGABFWQGNEU-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000291654577 198051814 /nfs/dbraw/zinc/05/18/14/198051814.db2.gz CECRIHUMUFNZJC-VIFPVBQESA-N 1 0 255.293 2.344 20 5 CEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC1 ZINC000271446948 191142458 /nfs/dbraw/zinc/14/24/58/191142458.db2.gz HOZVXOPNYCJDLG-JTQLQIEISA-N 1 0 277.324 2.454 20 5 CEBDRO Cc1ccnc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000131678095 366076398 /nfs/dbraw/zinc/07/63/98/366076398.db2.gz HACLRQAZFNKTLX-CYBMUJFWSA-N 1 0 290.367 2.220 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000123187816 187076167 /nfs/dbraw/zinc/07/61/67/187076167.db2.gz ZNNYSNJLPQRATG-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1nc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124122148 187123492 /nfs/dbraw/zinc/12/34/92/187123492.db2.gz HUHICJRJOXKRHR-LLVKDONJSA-N 1 0 264.329 2.100 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271528124 191193952 /nfs/dbraw/zinc/19/39/52/191193952.db2.gz PHNSWRLROAZPOS-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO Cn1nccc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075496 198154321 /nfs/dbraw/zinc/15/43/21/198154321.db2.gz FCXKWTAWCWXVIG-UHFFFAOYSA-N 1 0 288.351 2.396 20 5 CEBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000134762247 187771741 /nfs/dbraw/zinc/77/17/41/187771741.db2.gz OODWNRSVBXGMQO-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292147254 198181488 /nfs/dbraw/zinc/18/14/88/198181488.db2.gz TZPHWCZFILJSSQ-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463769 187831629 /nfs/dbraw/zinc/83/16/29/187831629.db2.gz XLUMKJAYPFXKFP-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1c([C@H](C)[NH2+]Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000152193863 188000829 /nfs/dbraw/zinc/00/08/29/188000829.db2.gz WAHVAWNUADEGLC-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000153804324 188104929 /nfs/dbraw/zinc/10/49/29/188104929.db2.gz QRSWMTGSVWOFKB-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO COC(=O)C1(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295173984 199386751 /nfs/dbraw/zinc/38/67/51/199386751.db2.gz HGMYBDMEMDKUSY-UHFFFAOYSA-N 1 0 292.335 2.373 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157314221 188309869 /nfs/dbraw/zinc/30/98/69/188309869.db2.gz ILVKJDNDJZJYGP-NSHDSACASA-N 1 0 252.318 2.056 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293185599 198553181 /nfs/dbraw/zinc/55/31/81/198553181.db2.gz WWFPVOFQLQKKPF-UHFFFAOYSA-N 1 0 292.335 2.324 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000161842675 188547051 /nfs/dbraw/zinc/54/70/51/188547051.db2.gz MZLAPPGHFBDJHG-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO COc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272839636 191940555 /nfs/dbraw/zinc/94/05/55/191940555.db2.gz GMCAGKJHMRJZQU-ZDUSSCGKSA-N 1 0 295.339 2.128 20 5 CEBDRO COC[C@@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000570129197 299240129 /nfs/dbraw/zinc/24/01/29/299240129.db2.gz XLXHLMWHEOFRQM-LBPRGKRZSA-N 1 0 266.341 2.352 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)nc1 ZINC000273633256 192239277 /nfs/dbraw/zinc/23/92/77/192239277.db2.gz QRWPBFDWFFKMOG-UHFFFAOYSA-N 1 0 293.371 2.453 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000133869634 366263588 /nfs/dbraw/zinc/26/35/88/366263588.db2.gz URIZGLFFCCTYBX-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134080962 366283307 /nfs/dbraw/zinc/28/33/07/366283307.db2.gz KMQFZTHMUIJHDM-WCQYABFASA-N 1 0 291.351 2.223 20 5 CEBDRO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000134507777 366329949 /nfs/dbraw/zinc/32/99/49/366329949.db2.gz PGSNDHIXMDHBAI-VXGBXAGGSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338390977 366336622 /nfs/dbraw/zinc/33/66/22/366336622.db2.gz YQVOQEAUGXNFAA-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000134630992 366349054 /nfs/dbraw/zinc/34/90/54/366349054.db2.gz MAVQXMIIIDSDPY-MBNYWOFBSA-N 1 0 276.336 2.491 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414486698 236381996 /nfs/dbraw/zinc/38/19/96/236381996.db2.gz UBTSTSROFJFHEM-LLVKDONJSA-N 1 0 252.314 2.357 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000414653390 236433702 /nfs/dbraw/zinc/43/37/02/236433702.db2.gz FGMJAIGHUSYEHY-JTQLQIEISA-N 1 0 280.328 2.152 20 5 CEBDRO C[C@H](CCCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294748063 199164307 /nfs/dbraw/zinc/16/43/07/199164307.db2.gz HUVIJTQGMCQIKI-SECBINFHSA-N 1 0 258.343 2.155 20 5 CEBDRO C[C@H](C[NH3+])NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414922217 236557069 /nfs/dbraw/zinc/55/70/69/236557069.db2.gz CMHLJSHUCNNXMO-SNVBAGLBSA-N 1 0 275.308 2.292 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338595791 366434172 /nfs/dbraw/zinc/43/41/72/366434172.db2.gz CANQSLMDKUVMHZ-ZDUSSCGKSA-N 1 0 291.351 2.050 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906829 199242884 /nfs/dbraw/zinc/24/28/84/199242884.db2.gz FHKMBBQNQYPDJX-RYUDHWBXSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000294922204 199250507 /nfs/dbraw/zinc/25/05/07/199250507.db2.gz TWJVGJLWFWUMOL-RTXFEEFZSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415509035 236676739 /nfs/dbraw/zinc/67/67/39/236676739.db2.gz VTCNJGJEHPDEQU-CMPLNLGQSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000135741684 366471914 /nfs/dbraw/zinc/47/19/14/366471914.db2.gz YAPCWEFDQSCYLG-LBPRGKRZSA-N 1 0 293.367 2.326 20 5 CEBDRO COc1cc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338783966 366520824 /nfs/dbraw/zinc/52/08/24/366520824.db2.gz IWPKHYOMHYJYOY-QWRGUYRKSA-N 1 0 279.340 2.132 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000570985965 299288587 /nfs/dbraw/zinc/28/85/87/299288587.db2.gz WQKHYJCFVNGKOZ-PHIMTYICSA-N 1 0 279.340 2.132 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)O1 ZINC000296842927 200012896 /nfs/dbraw/zinc/01/28/96/200012896.db2.gz OIJVAOBCXSLYKY-VDDIYKPWSA-N 1 0 290.323 2.127 20 5 CEBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453086445 283468557 /nfs/dbraw/zinc/46/85/57/283468557.db2.gz LGALGOUTKHYQCY-GFCCVEGCSA-N 1 0 294.351 2.269 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000148890995 366585461 /nfs/dbraw/zinc/58/54/61/366585461.db2.gz BUYATESCFUSSMT-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000453171744 283492371 /nfs/dbraw/zinc/49/23/71/283492371.db2.gz HQSGNTJZUGECNG-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@H]([NH2+]CCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000151236075 366631701 /nfs/dbraw/zinc/63/17/01/366631701.db2.gz RTISLCQNHYVWHO-NSHDSACASA-N 1 0 284.381 2.361 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264600 283515373 /nfs/dbraw/zinc/51/53/73/283515373.db2.gz WGUIMMXQPAWDGY-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])ccc1=O ZINC000339114750 366660137 /nfs/dbraw/zinc/66/01/37/366660137.db2.gz DXRQLCZISZXLJS-GFCCVEGCSA-N 1 0 279.340 2.019 20 5 CEBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[NH+](C)C ZINC000298248496 200370950 /nfs/dbraw/zinc/37/09/50/200370950.db2.gz MRBQOHIOEGFQKE-LBPRGKRZSA-N 1 0 279.340 2.490 20 5 CEBDRO C[NH2+]CCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000120618522 283525214 /nfs/dbraw/zinc/52/52/14/283525214.db2.gz DWTXNMBDQOCRTJ-UHFFFAOYSA-N 1 0 293.367 2.184 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000177592962 189058944 /nfs/dbraw/zinc/05/89/44/189058944.db2.gz LRRILXQFPCGDJC-OCCSQVGLSA-N 1 0 291.351 2.197 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177466876 189053348 /nfs/dbraw/zinc/05/33/48/189053348.db2.gz VXOYAOZHSIVRNY-MNOVXSKESA-N 1 0 297.380 2.259 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000177851377 189074317 /nfs/dbraw/zinc/07/43/17/189074317.db2.gz KSHZBZJSVGIXRZ-LBPRGKRZSA-N 1 0 293.367 2.421 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000178294204 189103563 /nfs/dbraw/zinc/10/35/63/189103563.db2.gz SEKYDROHZIGKAG-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(O)CCOCC1 ZINC000178809564 189147810 /nfs/dbraw/zinc/14/78/10/189147810.db2.gz IUVSGIRHTSNTJO-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1cc(C[NH2+][C@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218545 216264671 /nfs/dbraw/zinc/26/46/71/216264671.db2.gz IPZCOZXMQIKJQL-SFYZADRCSA-N 1 0 288.250 2.052 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000180634747 189267076 /nfs/dbraw/zinc/26/70/76/189267076.db2.gz ZDYKNCLECBNDQY-GFCCVEGCSA-N 1 0 252.314 2.091 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCC1 ZINC000013758075 361441160 /nfs/dbraw/zinc/44/11/60/361441160.db2.gz VQCQQAKLVVWSCX-UHFFFAOYSA-N 1 0 277.368 2.165 20 5 CEBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000029912132 361694158 /nfs/dbraw/zinc/69/41/58/361694158.db2.gz FBPXIWKHEAPGGQ-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000302153395 201369376 /nfs/dbraw/zinc/36/93/76/201369376.db2.gz MODHZKBGJLXDOF-UHFFFAOYSA-N 1 0 262.313 2.054 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000087519555 363859392 /nfs/dbraw/zinc/85/93/92/363859392.db2.gz RRDKBLNSLVPGNP-LLVKDONJSA-N 1 0 265.313 2.073 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000088147770 363878439 /nfs/dbraw/zinc/87/84/39/363878439.db2.gz NWPIJQMPOYNYBJ-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO CCCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000088147747 363878897 /nfs/dbraw/zinc/87/88/97/363878897.db2.gz OYQNIVCLSKZSOZ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOC(F)(F)F ZINC000089051783 363927557 /nfs/dbraw/zinc/92/75/57/363927557.db2.gz KFROZEZGTFXNLQ-UHFFFAOYSA-N 1 0 264.203 2.221 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089107579 363932109 /nfs/dbraw/zinc/93/21/09/363932109.db2.gz IBRSQJVJXIEWEX-OLZOCXBDSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237333179 370711950 /nfs/dbraw/zinc/71/19/50/370711950.db2.gz UUEDCXGVJPSSBW-ABAIWWIYSA-N 1 0 299.330 2.472 20 5 CEBDRO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237421900 370719616 /nfs/dbraw/zinc/71/96/16/370719616.db2.gz UUEDCXGVJPSSBW-IAQYHMDHSA-N 1 0 299.330 2.472 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094371909 364271918 /nfs/dbraw/zinc/27/19/18/364271918.db2.gz KQHFLGPCQOTTAS-DZGCQCFKSA-N 1 0 292.335 2.023 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059668 299342819 /nfs/dbraw/zinc/34/28/19/299342819.db2.gz GSAUVIGSIRDOIK-SMDDNHRTSA-N 1 0 294.351 2.223 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114679 364773839 /nfs/dbraw/zinc/77/38/39/364773839.db2.gz ICNYSCGQLFAFLM-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C2)nc1 ZINC000118865964 365186948 /nfs/dbraw/zinc/18/69/48/365186948.db2.gz JPZUYIDPMBURII-ZDUSSCGKSA-N 1 0 299.334 2.071 20 5 CEBDRO CCSCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000275795055 193129638 /nfs/dbraw/zinc/12/96/38/193129638.db2.gz OANUSSFWJKIQAP-UHFFFAOYSA-N 1 0 270.354 2.446 20 5 CEBDRO COCC(COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000572355129 299361084 /nfs/dbraw/zinc/36/10/84/299361084.db2.gz XLGFASXLWDSKAK-LLVKDONJSA-N 1 0 282.340 2.215 20 5 CEBDRO COCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159364169 366905822 /nfs/dbraw/zinc/90/58/22/366905822.db2.gz YGCFDMOYGSZWGF-CYBMUJFWSA-N 1 0 295.383 2.132 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000340879137 367071007 /nfs/dbraw/zinc/07/10/07/367071007.db2.gz TYYTYEXJUPAMNE-GHMZBOCLSA-N 1 0 281.360 2.014 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000341288192 367269734 /nfs/dbraw/zinc/26/97/34/367269734.db2.gz ZRMSIMZIHPAXKG-GXTWGEPZSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1cnccn1 ZINC000341309922 367279362 /nfs/dbraw/zinc/27/93/62/367279362.db2.gz PZDWCFUNDQCVPL-HYXAFXHYSA-N 1 0 284.319 2.230 20 5 CEBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341273739 367261373 /nfs/dbraw/zinc/26/13/73/367261373.db2.gz XPDSIYUIDSSSEI-OCCSQVGLSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168173110 367348236 /nfs/dbraw/zinc/34/82/36/367348236.db2.gz HJYNPCPDKDMJKV-DCXZOGHSSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166367948 367321325 /nfs/dbraw/zinc/32/13/25/367321325.db2.gz MAAJAZWLRHNHRD-TYNCELHUSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170735609 367402976 /nfs/dbraw/zinc/40/29/76/367402976.db2.gz IVAYOPDFXMGPTG-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766137 367409103 /nfs/dbraw/zinc/40/91/03/367409103.db2.gz GMDHIYRKMFVOIG-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO CCOc1cc(NCC(C)(C)[NH2+]C)ccc1[N+](=O)[O-] ZINC000342792328 367539180 /nfs/dbraw/zinc/53/91/80/367539180.db2.gz VUGYUIUIBOQLGL-UHFFFAOYSA-N 1 0 267.329 2.403 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000171562330 367566608 /nfs/dbraw/zinc/56/66/08/367566608.db2.gz LRBYFCADNREYSN-UHFFFAOYSA-N 1 0 297.380 2.070 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000342721532 367499403 /nfs/dbraw/zinc/49/94/03/367499403.db2.gz NKKKWSPZEQZCLT-NHYWBVRUSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009150 370869117 /nfs/dbraw/zinc/86/91/17/370869117.db2.gz CCCMGOBMTSEDBQ-UHIISALHSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172621682 367790161 /nfs/dbraw/zinc/79/01/61/367790161.db2.gz ZSCJTPTVTUVVKY-MWLCHTKSSA-N 1 0 297.380 2.211 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343439095 367815724 /nfs/dbraw/zinc/81/57/24/367815724.db2.gz IWYNEVFAVHLLCF-BXUZGUMPSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343530557 367866570 /nfs/dbraw/zinc/86/65/70/367866570.db2.gz ONSOXPPPGAASDR-UPJWGTAASA-N 1 0 294.351 2.065 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173345113 367899459 /nfs/dbraw/zinc/89/94/59/367899459.db2.gz CJFXJWQURPMQSZ-XVKPBYJWSA-N 1 0 278.230 2.169 20 5 CEBDRO COC[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245229 368000994 /nfs/dbraw/zinc/00/09/94/368000994.db2.gz LMSZFQBIVSIQBT-GFCCVEGCSA-N 1 0 294.351 2.473 20 5 CEBDRO CC(C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802955 368068500 /nfs/dbraw/zinc/06/85/00/368068500.db2.gz YCJDPJXGMKMXDG-UHFFFAOYSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@H+](CCCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176209624 368212961 /nfs/dbraw/zinc/21/29/61/368212961.db2.gz XDECFMRRWKQATH-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181547052 368468943 /nfs/dbraw/zinc/46/89/43/368468943.db2.gz FSZJSBIJGOHTOU-AWEZNQCLSA-N 1 0 291.351 2.162 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000181483936 368462068 /nfs/dbraw/zinc/46/20/68/368462068.db2.gz FTSAYNJGTVGLKZ-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1F ZINC000181951622 368509152 /nfs/dbraw/zinc/50/91/52/368509152.db2.gz TUQWZNCDVRWXHX-SECBINFHSA-N 1 0 296.277 2.420 20 5 CEBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000182662941 368575708 /nfs/dbraw/zinc/57/57/08/368575708.db2.gz RHQCCMKNZIEMBU-LBPRGKRZSA-N 1 0 294.351 2.411 20 5 CEBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348177083 368935060 /nfs/dbraw/zinc/93/50/60/368935060.db2.gz HAYYWTJHLMTERE-CHWSQXEVSA-N 1 0 292.383 2.395 20 5 CEBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186721830 369027605 /nfs/dbraw/zinc/02/76/05/369027605.db2.gz ALWQBODLSRHTJU-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@@H+]1CC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000349736964 369382307 /nfs/dbraw/zinc/38/23/07/369382307.db2.gz APIJLBWMWNOGQJ-JTQLQIEISA-N 1 0 274.280 2.064 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000276098111 193213808 /nfs/dbraw/zinc/21/38/08/193213808.db2.gz YQQNRSCZWDAHSY-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188801438 369411223 /nfs/dbraw/zinc/41/12/23/369411223.db2.gz PRORUSMBWXALFY-FZMZJTMJSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH+](C)C ZINC000349896553 369443085 /nfs/dbraw/zinc/44/30/85/369443085.db2.gz VORJBYHCWJYHNW-SNVBAGLBSA-N 1 0 294.355 2.283 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000189328506 369498853 /nfs/dbraw/zinc/49/88/53/369498853.db2.gz PQNGCVLZGWDNRG-OLZOCXBDSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189652131 369552805 /nfs/dbraw/zinc/55/28/05/369552805.db2.gz AZGKMOMUZADBLA-HNNXBMFYSA-N 1 0 278.352 2.374 20 5 CEBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000189686609 369558453 /nfs/dbraw/zinc/55/84/53/369558453.db2.gz YIBGKHWIXNBYMS-UHFFFAOYSA-N 1 0 270.358 2.338 20 5 CEBDRO CC[N@H+](C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189797174 369569853 /nfs/dbraw/zinc/56/98/53/369569853.db2.gz PWMNDXJFTMAKMV-UHFFFAOYSA-N 1 0 293.367 2.400 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352667901 369826704 /nfs/dbraw/zinc/82/67/04/369826704.db2.gz OBNZUQGNNATGJI-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO C[N@H+](CCOCC1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000352544536 369780597 /nfs/dbraw/zinc/78/05/97/369780597.db2.gz RNCHXDCVOFVDBP-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])nn1C ZINC000352549883 369783130 /nfs/dbraw/zinc/78/31/30/369783130.db2.gz IMZZIHSUPUGPMU-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902986 369942397 /nfs/dbraw/zinc/94/23/97/369942397.db2.gz ODCVLABKDNKFCQ-LRDDRELGSA-N 1 0 289.379 2.210 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000194632740 370060089 /nfs/dbraw/zinc/06/00/89/370060089.db2.gz DQNXTIRWIXQOJG-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000217391179 370195596 /nfs/dbraw/zinc/19/55/96/370195596.db2.gz YOQCRCXFIVFQIE-SNVBAGLBSA-N 1 0 271.386 2.476 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCC2CC2)c1 ZINC000224527057 370280378 /nfs/dbraw/zinc/28/03/78/370280378.db2.gz CXFGPJQHTUZDRM-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cncc(F)c2)cc1 ZINC000230940196 370471435 /nfs/dbraw/zinc/47/14/35/370471435.db2.gz YKDSWRHENARBIM-UHFFFAOYSA-N 1 0 275.283 2.461 20 5 CEBDRO CC[C@]1(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCC[NH2+]1 ZINC000231856175 370496258 /nfs/dbraw/zinc/49/62/58/370496258.db2.gz BUYSMPWLJYJTGU-OAHLLOKOSA-N 1 0 291.351 2.052 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247442192 371108177 /nfs/dbraw/zinc/10/81/77/371108177.db2.gz POCYXLHHBHTPQY-BXUZGUMPSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC(C)(C)C1 ZINC000344027252 217014715 /nfs/dbraw/zinc/01/47/15/217014715.db2.gz KTEFTTSVUSFCOH-JTQLQIEISA-N 1 0 266.345 2.196 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000359046251 371316239 /nfs/dbraw/zinc/31/62/39/371316239.db2.gz RFBBDZBQPROGQK-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251698508 371411996 /nfs/dbraw/zinc/41/19/96/371411996.db2.gz JUUAMLDIIRQJDJ-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252702206 371470780 /nfs/dbraw/zinc/47/07/80/371470780.db2.gz GVGRYTWUNIZQAP-QWHCGFSZSA-N 1 0 291.351 2.178 20 5 CEBDRO CC(=O)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252805543 371480918 /nfs/dbraw/zinc/48/09/18/371480918.db2.gz FWRXTIYLUCSSLM-ZDUSSCGKSA-N 1 0 289.335 2.082 20 5 CEBDRO COCC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000336809920 213675122 /nfs/dbraw/zinc/67/51/22/213675122.db2.gz GOXACJMGMLYLKO-UHFFFAOYSA-N 1 0 266.341 2.400 20 5 CEBDRO CCc1nn(C)c(NCCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000360961810 371564699 /nfs/dbraw/zinc/56/46/99/371564699.db2.gz UZBBADMLPDDHKL-UHFFFAOYSA-N 1 0 297.403 2.425 20 5 CEBDRO C[NH2+]C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000261592961 371669245 /nfs/dbraw/zinc/66/92/45/371669245.db2.gz MOXDERCNJZGHQJ-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261726043 371712307 /nfs/dbraw/zinc/71/23/07/371712307.db2.gz KSOBUJSIVDNABA-MBNYWOFBSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000361152108 371683530 /nfs/dbraw/zinc/68/35/30/371683530.db2.gz HZXDHLUXZXOPDG-OLZOCXBDSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361164071 371692127 /nfs/dbraw/zinc/69/21/27/371692127.db2.gz CYDJKZLDMOSKIQ-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361416511 371837494 /nfs/dbraw/zinc/83/74/94/371837494.db2.gz SQHIBRRYDORIND-CQSZACIVSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174521 217084965 /nfs/dbraw/zinc/08/49/65/217084965.db2.gz QQRBKHIALACVOM-JSGCOSHPSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344208706 217099044 /nfs/dbraw/zinc/09/90/44/217099044.db2.gz BFOSTVZLGDUIPC-HNNXBMFYSA-N 1 0 291.351 2.316 20 5 CEBDRO Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000269077826 372334264 /nfs/dbraw/zinc/33/42/64/372334264.db2.gz CKSDUYNNPBUGKU-GXTWGEPZSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269182570 372367923 /nfs/dbraw/zinc/36/79/23/372367923.db2.gz ILJJQHGDDFNXIM-WCBMZHEXSA-N 1 0 297.380 2.083 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868991 372583234 /nfs/dbraw/zinc/58/32/34/372583234.db2.gz YDSHJYKIQMTJKE-CMPLNLGQSA-N 1 0 282.315 2.469 20 5 CEBDRO C[NH2+]C(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000269984037 372623845 /nfs/dbraw/zinc/62/38/45/372623845.db2.gz RUKOHNQCZPIHSX-UHFFFAOYSA-N 1 0 258.709 2.053 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000270099031 372664467 /nfs/dbraw/zinc/66/44/67/372664467.db2.gz LBWFPRDFFGBLLK-JSGCOSHPSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270580452 372852529 /nfs/dbraw/zinc/85/25/29/372852529.db2.gz QPIWYMKITXNMNM-ZDUSSCGKSA-N 1 0 293.367 2.267 20 5 CEBDRO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491680 220115480 /nfs/dbraw/zinc/11/54/80/220115480.db2.gz SLVFTKPXDJXOCF-GXFFZTMASA-N 1 0 264.325 2.264 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000271002065 373058338 /nfs/dbraw/zinc/05/83/38/373058338.db2.gz QJDSJDOTSUEQCX-WDEREUQCSA-N 1 0 292.257 2.386 20 5 CEBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000353559633 220157429 /nfs/dbraw/zinc/15/74/29/220157429.db2.gz LHUUODUMTVVWNP-AGIUHOORSA-N 1 0 296.371 2.290 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272068309 373290966 /nfs/dbraw/zinc/29/09/66/373290966.db2.gz DWAQICWQZAFHBA-SMDDNHRTSA-N 1 0 293.367 2.358 20 5 CEBDRO Cc1cc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000369019091 373315455 /nfs/dbraw/zinc/31/54/55/373315455.db2.gz NWZOEUJJKICTJU-ZDUSSCGKSA-N 1 0 287.323 2.336 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272654030 373602524 /nfs/dbraw/zinc/60/25/24/373602524.db2.gz ZYEREJDDZRIVHP-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276836856 374320133 /nfs/dbraw/zinc/32/01/33/374320133.db2.gz BWBHWCXSVHWIIS-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC000373931046 374449742 /nfs/dbraw/zinc/44/97/42/374449742.db2.gz AIHPJPQAJVDSDA-NXEZZACHSA-N 1 0 295.364 2.013 20 5 CEBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368193 374851317 /nfs/dbraw/zinc/85/13/17/374851317.db2.gz WYTSLLXAKUIPKO-GXFFZTMASA-N 1 0 291.351 2.362 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378008648 375001122 /nfs/dbraw/zinc/00/11/22/375001122.db2.gz XUOHNSCTKKOPDD-GFCCVEGCSA-N 1 0 287.323 2.093 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000382458026 375186051 /nfs/dbraw/zinc/18/60/51/375186051.db2.gz LAXXWLQZQIHCJZ-IUCAKERBSA-N 1 0 270.720 2.325 20 5 CEBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000385023256 375224625 /nfs/dbraw/zinc/22/46/25/375224625.db2.gz OUENDTXGAVWYOA-VIFPVBQESA-N 1 0 270.304 2.373 20 5 CEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000282493184 375498483 /nfs/dbraw/zinc/49/84/83/375498483.db2.gz MUHATJDRDDGNRY-UHFFFAOYSA-N 1 0 282.315 2.469 20 5 CEBDRO CCOC(=O)[C@H](CC)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282508160 375501530 /nfs/dbraw/zinc/50/15/30/375501530.db2.gz RREVAMYYWRGKQB-AWEZNQCLSA-N 1 0 294.351 2.411 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282832334 375588725 /nfs/dbraw/zinc/58/87/25/375588725.db2.gz BTYMZBPXQUAUIX-UHFFFAOYSA-N 1 0 274.324 2.301 20 5 CEBDRO CC[NH+](CC)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690424 375746722 /nfs/dbraw/zinc/74/67/22/375746722.db2.gz ACYINRBZPLLICU-NSHDSACASA-N 1 0 280.372 2.169 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283715918 375749466 /nfs/dbraw/zinc/74/94/66/375749466.db2.gz FLPZEEMAPGUEEC-RYUDHWBXSA-N 1 0 278.356 2.462 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414541743 375844718 /nfs/dbraw/zinc/84/47/18/375844718.db2.gz JNVMNRZXHADXPG-WMADIVHISA-N 1 0 291.351 2.111 20 5 CEBDRO CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286221206 375876251 /nfs/dbraw/zinc/87/62/51/375876251.db2.gz CZWPDXUHALCHDN-NSHDSACASA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000414653297 375902602 /nfs/dbraw/zinc/90/26/02/375902602.db2.gz DZXLLHAEAUXSCU-WDEREUQCSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414661340 375906376 /nfs/dbraw/zinc/90/63/76/375906376.db2.gz PRDFNHRGSPVIJY-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CC[NH+](CC)CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286693940 376039203 /nfs/dbraw/zinc/03/92/03/376039203.db2.gz BTZGRVUWEIVKIS-UHFFFAOYSA-N 1 0 266.345 2.321 20 5 CEBDRO CCC([NH3+])(CC)CNCc1ccc([N+](=O)[O-])cc1 ZINC000414803687 375990061 /nfs/dbraw/zinc/99/00/61/375990061.db2.gz MPFXYRDMJNYYSG-UHFFFAOYSA-N 1 0 251.330 2.202 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000286997673 376124919 /nfs/dbraw/zinc/12/49/19/376124919.db2.gz OWIKXHVYFIZCJM-UHFFFAOYSA-N 1 0 266.345 2.177 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000287992931 376356917 /nfs/dbraw/zinc/35/69/17/376356917.db2.gz RSJGXFTVTFBFFQ-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO [NH3+]CCN(C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000289668771 376438789 /nfs/dbraw/zinc/43/87/89/376438789.db2.gz DJCDMVPXTGCBKJ-NSHDSACASA-N 1 0 281.381 2.113 20 5 CEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)C ZINC000263721233 190075088 /nfs/dbraw/zinc/07/50/88/190075088.db2.gz BEFGIFAVDOLKGN-UHFFFAOYSA-N 1 0 279.340 2.172 20 5 CEBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419376925 376447786 /nfs/dbraw/zinc/44/77/86/376447786.db2.gz UKSLYYVVYPQATR-OUAUKWLOSA-N 1 0 291.351 2.170 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000263872374 190083256 /nfs/dbraw/zinc/08/32/56/190083256.db2.gz GPGYYEFCEAOZNG-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000557466932 376556860 /nfs/dbraw/zinc/55/68/60/376556860.db2.gz FIYAGCSWULKDRO-VXGBXAGGSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000420253565 376663247 /nfs/dbraw/zinc/66/32/47/376663247.db2.gz BINJCSDWZFQDQC-BXKDBHETSA-N 1 0 278.356 2.170 20 5 CEBDRO COCCOCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290234287 376698857 /nfs/dbraw/zinc/69/88/57/376698857.db2.gz TZJQMXZASZITDY-FNORWQNLSA-N 1 0 294.351 2.203 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000315094381 376792790 /nfs/dbraw/zinc/79/27/90/376792790.db2.gz OVODVAWHIKVKIK-BQYQJAHWSA-N 1 0 291.351 2.242 20 5 CEBDRO C[NH2+]CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423208091 377124345 /nfs/dbraw/zinc/12/43/45/377124345.db2.gz YUYFGRDLTNFXJY-NSHDSACASA-N 1 0 251.330 2.163 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269703 377189890 /nfs/dbraw/zinc/18/98/90/377189890.db2.gz FTNILFLBFWISRW-ZWNOBZJWSA-N 1 0 263.341 2.291 20 5 CEBDRO CCC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330999941 377232385 /nfs/dbraw/zinc/23/23/85/377232385.db2.gz ZWFARXXNZNBIMM-LLVKDONJSA-N 1 0 266.345 2.340 20 5 CEBDRO CCC[C@H](N[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423318184 377247850 /nfs/dbraw/zinc/24/78/50/377247850.db2.gz CVOZLGBGILDBBE-MFKMUULPSA-N 1 0 251.330 2.373 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438183 377429387 /nfs/dbraw/zinc/42/93/87/377429387.db2.gz DCIYLBUUPLXYBC-HZMBPMFUSA-N 1 0 289.335 2.009 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCCn1ccnc1 ZINC000091554089 249309810 /nfs/dbraw/zinc/30/98/10/249309810.db2.gz VSXGKJWSJMFXEP-UHFFFAOYSA-N 1 0 292.343 2.208 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000265743278 190203616 /nfs/dbraw/zinc/20/36/16/190203616.db2.gz CUEDJYWPBLKOML-LLVKDONJSA-N 1 0 250.298 2.063 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COCC1(C)C ZINC000313067926 249377292 /nfs/dbraw/zinc/37/72/92/249377292.db2.gz QPHZKLNGPKKQNH-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000313303876 249392601 /nfs/dbraw/zinc/39/26/01/249392601.db2.gz DNTBPNHHLISDGT-PPGNKHEKSA-N 1 0 291.351 2.098 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313187065 249387940 /nfs/dbraw/zinc/38/79/40/249387940.db2.gz ZDDADNVCKWFSIZ-CHWSQXEVSA-N 1 0 270.304 2.373 20 5 CEBDRO Cc1cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293910507 377822282 /nfs/dbraw/zinc/82/22/82/377822282.db2.gz FZOVCZFFTAJIFL-TXEJJXNPSA-N 1 0 291.351 2.068 20 5 CEBDRO C[C@@H](NC[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293872204 377798241 /nfs/dbraw/zinc/79/82/41/377798241.db2.gz YGWURPHETMENFV-NWDGAFQWSA-N 1 0 265.357 2.443 20 5 CEBDRO Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000437779801 377862736 /nfs/dbraw/zinc/86/27/36/377862736.db2.gz WHQOHVWSQKWCCD-OKILXGFUSA-N 1 0 275.352 2.230 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000439118608 377919374 /nfs/dbraw/zinc/91/93/74/377919374.db2.gz LJANQGVLADISDE-CYBMUJFWSA-N 1 0 281.356 2.100 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000294170673 377927899 /nfs/dbraw/zinc/92/78/99/377927899.db2.gz WJWXWOHQJSAQTK-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@@H](CCCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294662560 378004332 /nfs/dbraw/zinc/00/43/32/378004332.db2.gz AHTQEUUKNCWSOU-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO C[N@@H+](Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295213185 378052843 /nfs/dbraw/zinc/05/28/43/378052843.db2.gz UWARHTWXQUYYLF-HNNXBMFYSA-N 1 0 287.319 2.155 20 5 CEBDRO C[NH+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295458068 378166880 /nfs/dbraw/zinc/16/68/80/378166880.db2.gz ODQZRNLYWKNNSO-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000266052305 190226670 /nfs/dbraw/zinc/22/66/70/190226670.db2.gz XEXJBEOFYPVSPO-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1nc(N(C)CC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000450431600 378414638 /nfs/dbraw/zinc/41/46/38/378414638.db2.gz AHGBVMKDVHXSEM-UHFFFAOYSA-N 1 0 295.387 2.248 20 5 CEBDRO Cc1nc(NC2CC[NH+](C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000296020882 378392173 /nfs/dbraw/zinc/39/21/73/378392173.db2.gz OGLKGGOXCNJRFP-UHFFFAOYSA-N 1 0 291.355 2.122 20 5 CEBDRO C[C@@H](O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450497906 378451422 /nfs/dbraw/zinc/45/14/22/378451422.db2.gz GYZJDSQOWSVEIS-LLVKDONJSA-N 1 0 264.325 2.330 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298461869 378734456 /nfs/dbraw/zinc/73/44/56/378734456.db2.gz XAYANESTAZOASB-UHFFFAOYSA-N 1 0 285.369 2.116 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CCC=CO2)c1 ZINC000278483349 194004729 /nfs/dbraw/zinc/00/47/29/194004729.db2.gz JVFMOGWLGZMCDA-CQSZACIVSA-N 1 0 262.309 2.420 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CCC=CO1 ZINC000278492140 194008902 /nfs/dbraw/zinc/00/89/02/194008902.db2.gz LMJZJTGHVUSCBB-CYBMUJFWSA-N 1 0 262.309 2.420 20 5 CEBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298730482 378815463 /nfs/dbraw/zinc/81/54/63/378815463.db2.gz LEBWDXLHJLRDQY-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298731182 378815978 /nfs/dbraw/zinc/81/59/78/378815978.db2.gz SXZHRVKCLOUKFZ-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453364027 378874962 /nfs/dbraw/zinc/87/49/62/378874962.db2.gz MNHJDSVBCDASEV-KGYLQXTDSA-N 1 0 291.351 2.208 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346989683 218081404 /nfs/dbraw/zinc/08/14/04/218081404.db2.gz SBOSEKCXAKVHBD-CQSZACIVSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347176763 218146699 /nfs/dbraw/zinc/14/66/99/218146699.db2.gz RHMDCPWQWPHBBV-KGLIPLIRSA-N 1 0 275.352 2.230 20 5 CEBDRO COc1cc(SCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000347291292 218180615 /nfs/dbraw/zinc/18/06/15/218180615.db2.gz NGLOUGJAMRPMFC-UHFFFAOYSA-N 1 0 286.353 2.266 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000347463580 218243852 /nfs/dbraw/zinc/24/38/52/218243852.db2.gz ZMWPBDYXBKZJCY-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1cccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000300421594 379170996 /nfs/dbraw/zinc/17/09/96/379170996.db2.gz OVPUFXASCGFJRI-STQMWFEESA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1nn(C)c(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301264685 379240052 /nfs/dbraw/zinc/24/00/52/379240052.db2.gz HVLBMLPZJYNFPC-UHFFFAOYSA-N 1 0 295.387 2.313 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000301334885 379259974 /nfs/dbraw/zinc/25/99/74/379259974.db2.gz CQCFVJJDFBNRHK-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516877726 379321583 /nfs/dbraw/zinc/32/15/83/379321583.db2.gz KTVGGEJTLKERAP-SMDDNHRTSA-N 1 0 278.352 2.436 20 5 CEBDRO Cc1cccc(N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000302490346 379383242 /nfs/dbraw/zinc/38/32/42/379383242.db2.gz JSYYFYSRRUHALM-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000518533271 379392243 /nfs/dbraw/zinc/39/22/43/379392243.db2.gz SKEPELKGKYVHGU-NXEZZACHSA-N 1 0 280.328 2.151 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000304258448 379538068 /nfs/dbraw/zinc/53/80/68/379538068.db2.gz SKEJPQYWGJYRNV-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000305197201 379681203 /nfs/dbraw/zinc/68/12/03/379681203.db2.gz UJRCQZXHXQLVJN-SNVBAGLBSA-N 1 0 270.354 2.392 20 5 CEBDRO CO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000267719584 190349945 /nfs/dbraw/zinc/34/99/45/190349945.db2.gz YIXATXFGJWIEIB-NSHDSACASA-N 1 0 270.716 2.469 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488746710 380129079 /nfs/dbraw/zinc/12/90/79/380129079.db2.gz MRHAGVFYULVIEI-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489436158 380189251 /nfs/dbraw/zinc/18/92/51/380189251.db2.gz LSXXLMVEGNBTCK-WFASDCNBSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1nnc([C@H](C)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000541686409 380277680 /nfs/dbraw/zinc/27/76/80/380277680.db2.gz DGPDFRPYMRRREC-QMMMGPOBSA-N 1 0 262.269 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000547363439 380433951 /nfs/dbraw/zinc/43/39/51/380433951.db2.gz QEMRXQWBFOPDQS-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)/C=C/C[NH+](C)C)cc1[N+](=O)[O-] ZINC000492072361 380439305 /nfs/dbraw/zinc/43/93/05/380439305.db2.gz IITXXJSIZJBNSB-FYJFLYSWSA-N 1 0 291.351 2.198 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000348159646 218482834 /nfs/dbraw/zinc/48/28/34/218482834.db2.gz KJTNONYWRPWAGZ-QWHCGFSZSA-N 1 0 294.351 2.244 20 5 CEBDRO [NH3+]CCN(Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000348936740 218778312 /nfs/dbraw/zinc/77/83/12/218778312.db2.gz UHMHFSZTJLWZMI-UHFFFAOYSA-N 1 0 261.281 2.153 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+](C)C ZINC000575738883 299566972 /nfs/dbraw/zinc/56/69/72/299566972.db2.gz XVYLKXNDJDIVOK-UHFFFAOYSA-N 1 0 295.383 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@@H+](C2CC2)CC1 ZINC000302794940 285118051 /nfs/dbraw/zinc/11/80/51/285118051.db2.gz JIUQRORVHMZXNF-UHFFFAOYSA-N 1 0 279.315 2.408 20 5 CEBDRO C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350254947 219004325 /nfs/dbraw/zinc/00/43/25/219004325.db2.gz RXCOUAHOQSXIAJ-GWCFXTLKSA-N 1 0 297.786 2.330 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301977670 285170190 /nfs/dbraw/zinc/17/01/90/285170190.db2.gz DNGJLPMAQJMBQC-JTQLQIEISA-N 1 0 267.354 2.331 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094371910 184790950 /nfs/dbraw/zinc/79/09/50/184790950.db2.gz KQHFLGPCQOTTAS-HIFRSBDPSA-N 1 0 292.335 2.023 20 5 CEBDRO CC(C)[N@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771898 184857807 /nfs/dbraw/zinc/85/78/07/184857807.db2.gz DIKGMGNRCUXVKA-UHFFFAOYSA-N 1 0 277.328 2.223 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094773824 184858778 /nfs/dbraw/zinc/85/87/78/184858778.db2.gz NCCFFBGXAFTDTG-GFCCVEGCSA-N 1 0 270.304 2.495 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])s1 ZINC000189681002 130008340 /nfs/dbraw/zinc/00/83/40/130008340.db2.gz FSKBFAVYPNJURB-UHFFFAOYSA-N 1 0 258.347 2.195 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000224409950 394466052 /nfs/dbraw/zinc/46/60/52/394466052.db2.gz NSPJWJHDADKCSU-JTQLQIEISA-N 1 0 252.339 2.438 20 5 CEBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)C(C)C ZINC000413114152 394485080 /nfs/dbraw/zinc/48/50/80/394485080.db2.gz LYYYXHOMTWHRLO-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000237478124 394491627 /nfs/dbraw/zinc/49/16/27/394491627.db2.gz FQDZVUTZHBAWAA-SNVBAGLBSA-N 1 0 279.340 2.065 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413179322 394499416 /nfs/dbraw/zinc/49/94/16/394499416.db2.gz WYUXSCLPNIOGOV-UWVGGRQHSA-N 1 0 282.319 2.414 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000413345512 394531453 /nfs/dbraw/zinc/53/14/53/394531453.db2.gz FSFXDENELFFBPB-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO CCc1nn(C)c(NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000413436916 394551113 /nfs/dbraw/zinc/55/11/13/394551113.db2.gz JLIAAJPOKOLZRU-LLVKDONJSA-N 1 0 295.387 2.035 20 5 CEBDRO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268448442 394694933 /nfs/dbraw/zinc/69/49/33/394694933.db2.gz FLTCHKUESBAPKS-CMPLNLGQSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422733628 394746121 /nfs/dbraw/zinc/74/61/21/394746121.db2.gz BPFFOTHKDPFZFN-NSHDSACASA-N 1 0 286.335 2.296 20 5 CEBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000268806281 394699716 /nfs/dbraw/zinc/69/97/16/394699716.db2.gz FWFFUFQIXLCWAZ-OLZOCXBDSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269413622 394717420 /nfs/dbraw/zinc/71/74/20/394717420.db2.gz XNLIAYUBWNRMFP-MWLCHTKSSA-N 1 0 298.774 2.420 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000422689990 394724246 /nfs/dbraw/zinc/72/42/46/394724246.db2.gz FZIOLZKGQNHAGS-GFCCVEGCSA-N 1 0 291.351 2.282 20 5 CEBDRO C[NH2+]CCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414857596 394773427 /nfs/dbraw/zinc/77/34/27/394773427.db2.gz FGMDULSSBHISMR-UHFFFAOYSA-N 1 0 265.357 2.417 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1 ZINC000414861068 394775870 /nfs/dbraw/zinc/77/58/70/394775870.db2.gz DUVNXTNRIUSSMT-TZMCWYRMSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@@H](NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422778594 394777569 /nfs/dbraw/zinc/77/75/69/394777569.db2.gz ATVSHZVMSUQOCE-TZMCWYRMSA-N 1 0 277.368 2.258 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000422788167 394785950 /nfs/dbraw/zinc/78/59/50/394785950.db2.gz SFNZQLOAHKSTNT-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CC[NH2+][C@H](C)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414938783 394813161 /nfs/dbraw/zinc/81/31/61/394813161.db2.gz DMTANYMOWDXLNV-WAFBPQNNSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414945721 394816950 /nfs/dbraw/zinc/81/69/50/394816950.db2.gz RYXBRMWVYAULTD-NOZJJQNGSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000422832257 394818443 /nfs/dbraw/zinc/81/84/43/394818443.db2.gz KZWFGNHAUPQBEZ-GFCCVEGCSA-N 1 0 293.367 2.315 20 5 CEBDRO [NH3+]CC[C@H](NCc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000415060442 394868498 /nfs/dbraw/zinc/86/84/98/394868498.db2.gz UKJWMRLKHXMBNN-ZETCQYMHSA-N 1 0 283.275 2.026 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCC[NH2+]C1 ZINC000415066047 394871879 /nfs/dbraw/zinc/87/18/79/394871879.db2.gz INBLNIHRACVACA-BRLPQQTGSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000278777141 394834888 /nfs/dbraw/zinc/83/48/88/394834888.db2.gz VEQBOHZSIQRCKT-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415491098 394937447 /nfs/dbraw/zinc/93/74/47/394937447.db2.gz YXPSVBDSWBEPHU-UWVGGRQHSA-N 1 0 280.328 2.069 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000286151890 395015682 /nfs/dbraw/zinc/01/56/82/395015682.db2.gz VYENUSSLCVQHFN-BXKDBHETSA-N 1 0 252.339 2.436 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286189969 395016630 /nfs/dbraw/zinc/01/66/30/395016630.db2.gz AZABJMSOOIANBA-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000423698194 394969527 /nfs/dbraw/zinc/96/95/27/394969527.db2.gz MMIMOHSUWKOIDF-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373566039 395062735 /nfs/dbraw/zinc/06/27/35/395062735.db2.gz GUTHGQJNZTYWOO-LLVKDONJSA-N 1 0 252.318 2.084 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375023673 395089280 /nfs/dbraw/zinc/08/92/80/395089280.db2.gz VHAZRUQMBBKQGH-ABAIWWIYSA-N 1 0 293.342 2.260 20 5 CEBDRO CCC[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376222820 395113622 /nfs/dbraw/zinc/11/36/22/395113622.db2.gz RSEQITQBJMUXOS-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)C[NH+](C)C ZINC000291791027 395160664 /nfs/dbraw/zinc/16/06/64/395160664.db2.gz WGKUEGLGVZPCPW-GFCCVEGCSA-N 1 0 295.383 2.281 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397974153 395231411 /nfs/dbraw/zinc/23/14/11/395231411.db2.gz ISATVVNELRMCRK-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292231007 395189911 /nfs/dbraw/zinc/18/99/11/395189911.db2.gz IUEVYKFALMDESZ-ZDUSSCGKSA-N 1 0 296.758 2.175 20 5 CEBDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613602 395201768 /nfs/dbraw/zinc/20/17/68/395201768.db2.gz PEMYHMDZZFDDPY-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000394076314 395204112 /nfs/dbraw/zinc/20/41/12/395204112.db2.gz BKNRIYMVTPPEMZ-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CCC[C@@H]([NH2+]C1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000519698478 395209807 /nfs/dbraw/zinc/20/98/07/395209807.db2.gz AEDDKKJTABZMMZ-OAHLLOKOSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295055748 395284862 /nfs/dbraw/zinc/28/48/62/395284862.db2.gz YOFZYEZNPNCYEC-NSHDSACASA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+][C@H](C)C1 ZINC000420288594 395297216 /nfs/dbraw/zinc/29/72/16/395297216.db2.gz JIXQIRYWNINFFN-NEPJUHHUSA-N 1 0 263.341 2.258 20 5 CEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465718 395300273 /nfs/dbraw/zinc/30/02/73/395300273.db2.gz HPEKJRQACPKYBS-GWCFXTLKSA-N 1 0 294.330 2.049 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@@H]2C2CCC2)n1 ZINC000419364221 395264127 /nfs/dbraw/zinc/26/41/27/395264127.db2.gz POZCXFKYLVQUOH-GFCCVEGCSA-N 1 0 296.396 2.009 20 5 CEBDRO Cc1cnc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189081907 395323802 /nfs/dbraw/zinc/32/38/02/395323802.db2.gz YSAXZPZCYRYGRJ-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1c(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420371775 395358883 /nfs/dbraw/zinc/35/88/83/395358883.db2.gz PRDOZRSADNQHGF-JVLSTEMRSA-N 1 0 277.368 2.379 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420361086 395348600 /nfs/dbraw/zinc/34/86/00/395348600.db2.gz HQJWKCOWNBUFHH-RULNRJAQSA-N 1 0 281.331 2.210 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)CC(F)F ZINC000566476238 395528917 /nfs/dbraw/zinc/52/89/17/395528917.db2.gz VJGBJSLFLIMSQI-GZMMTYOYSA-N 1 0 286.278 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1=O ZINC000567915915 395542591 /nfs/dbraw/zinc/54/25/91/395542591.db2.gz BTRYFZGVQLPCCP-RYUDHWBXSA-N 1 0 293.367 2.043 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000451241474 395597754 /nfs/dbraw/zinc/59/77/54/395597754.db2.gz KZCWAYROHQYSCI-ZDUSSCGKSA-N 1 0 280.324 2.261 20 5 CEBDRO CS[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451320528 395606284 /nfs/dbraw/zinc/60/62/84/395606284.db2.gz LPJSBXMXKMUWRD-CYBMUJFWSA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@](O)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000451439378 395618661 /nfs/dbraw/zinc/61/86/61/395618661.db2.gz NXKHFYJQZXXECV-CYBMUJFWSA-N 1 0 286.278 2.105 20 5 CEBDRO CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193559721 153235202 /nfs/dbraw/zinc/23/52/02/153235202.db2.gz YDPJHTQSVWBIAQ-BZPMIXESSA-N 1 0 296.367 2.359 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000220689677 153308517 /nfs/dbraw/zinc/30/85/17/153308517.db2.gz BVPAITNEYWDJKW-LLVKDONJSA-N 1 0 280.324 2.120 20 5 CEBDRO COc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000223449764 153315389 /nfs/dbraw/zinc/31/53/89/153315389.db2.gz VWNLPHAPNLNJAQ-WCQYABFASA-N 1 0 293.367 2.033 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227817808 153351066 /nfs/dbraw/zinc/35/10/66/153351066.db2.gz DRLLCTDNDMHRGC-RYUDHWBXSA-N 1 0 293.371 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000272260014 292295873 /nfs/dbraw/zinc/29/58/73/292295873.db2.gz BMRXDSDBTWSFND-WCQYABFASA-N 1 0 264.325 2.421 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000346662411 154294211 /nfs/dbraw/zinc/29/42/11/154294211.db2.gz BVWPLVLAMOZFOD-NEPJUHHUSA-N 1 0 293.367 2.163 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000367456245 156189999 /nfs/dbraw/zinc/18/99/99/156189999.db2.gz BCFLOTHEFJZNQY-HNNXBMFYSA-N 1 0 292.335 2.229 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367688494 156226026 /nfs/dbraw/zinc/22/60/26/156226026.db2.gz MYEWLYOSPSNSMI-NZPIUUIZSA-N 1 0 262.309 2.138 20 5 CEBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368477763 156349340 /nfs/dbraw/zinc/34/93/40/156349340.db2.gz LRBSXKPIJICVKO-GFCCVEGCSA-N 1 0 296.302 2.044 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016985 157040036 /nfs/dbraw/zinc/04/00/36/157040036.db2.gz GMJKUILECUPHBG-DOMZBBRYSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1c(C[N@H+]2CCOC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000376501433 157231398 /nfs/dbraw/zinc/23/13/98/157231398.db2.gz PMKVWOOZWZPLKG-NSHDSACASA-N 1 0 264.325 2.372 20 5 CEBDRO COCCC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000180414554 292377962 /nfs/dbraw/zinc/37/79/62/292377962.db2.gz PJTBISNRYPWEGH-LLVKDONJSA-N 1 0 252.314 2.500 20 5 CEBDRO CCCO[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236683 165158589 /nfs/dbraw/zinc/15/85/89/165158589.db2.gz ZMOLKQGZORRODR-CYBMUJFWSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279721848 287153140 /nfs/dbraw/zinc/15/31/40/287153140.db2.gz IYDGQWIBMYISIY-GWCFXTLKSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H](C)CC[NH+](C)C ZINC000563420263 298775976 /nfs/dbraw/zinc/77/59/76/298775976.db2.gz COVIQIGQPZKSRJ-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020013825 170969607 /nfs/dbraw/zinc/96/96/07/170969607.db2.gz IRXKHGANOAYGRW-UHFFFAOYSA-N 1 0 295.383 2.281 20 5 CEBDRO CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C)c2)[N@H+](C)C1 ZINC000284544503 196081440 /nfs/dbraw/zinc/08/14/40/196081440.db2.gz LXOARHWJIMKSQB-KBPBESRZSA-N 1 0 293.367 2.059 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CC1 ZINC000035142405 172009287 /nfs/dbraw/zinc/00/92/87/172009287.db2.gz NZIGZGFVLKTJRZ-VIFPVBQESA-N 1 0 250.298 2.492 20 5 CEBDRO COCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368208 172159815 /nfs/dbraw/zinc/15/98/15/172159815.db2.gz HMTQXVCUPWORSE-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO CCOCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677657 172348587 /nfs/dbraw/zinc/34/85/87/172348587.db2.gz LIWUQEXVOCSTED-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177001 173010893 /nfs/dbraw/zinc/01/08/93/173010893.db2.gz ZLTXUHOMVFKIGR-GXFFZTMASA-N 1 0 250.298 2.424 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044394 174052107 /nfs/dbraw/zinc/05/21/07/174052107.db2.gz LQMRHBYFMIRRHD-NSHDSACASA-N 1 0 250.298 2.111 20 5 CEBDRO Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000038075003 174085332 /nfs/dbraw/zinc/08/53/32/174085332.db2.gz XWEANFXTIDBDMN-UHFFFAOYSA-N 1 0 277.324 2.231 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454407 174267134 /nfs/dbraw/zinc/26/71/34/174267134.db2.gz YABXPLSLKZJKTM-NSHDSACASA-N 1 0 279.344 2.061 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000041069059 174469610 /nfs/dbraw/zinc/46/96/10/174469610.db2.gz SWYHVRWBFNYFEQ-UHFFFAOYSA-N 1 0 292.339 2.378 20 5 CEBDRO CCOC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000044724086 175237569 /nfs/dbraw/zinc/23/75/69/175237569.db2.gz LXKRIMLTVMUKOT-SNVBAGLBSA-N 1 0 268.313 2.118 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000045691570 175382506 /nfs/dbraw/zinc/38/25/06/175382506.db2.gz GTUYZPWPSHEYMV-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046444171 175396298 /nfs/dbraw/zinc/39/62/98/175396298.db2.gz UAIPSRUPIHFVGC-JSGCOSHPSA-N 1 0 294.351 2.066 20 5 CEBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000071147735 176044088 /nfs/dbraw/zinc/04/40/88/176044088.db2.gz JIZOEMCKPHJTHU-SNVBAGLBSA-N 1 0 283.759 2.290 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000071147733 176044215 /nfs/dbraw/zinc/04/42/15/176044215.db2.gz JIZOEMCKPHJTHU-JTQLQIEISA-N 1 0 283.759 2.290 20 5 CEBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000073000205 176447823 /nfs/dbraw/zinc/44/78/23/176447823.db2.gz ZODVUOHYWUGNPZ-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000078542711 177351861 /nfs/dbraw/zinc/35/18/61/177351861.db2.gz KVBWKCSGLJVTEP-ZDUSSCGKSA-N 1 0 267.304 2.486 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000252102368 287355371 /nfs/dbraw/zinc/35/53/71/287355371.db2.gz GLQDDCVWNXVQIC-RISCZKNCSA-N 1 0 263.341 2.154 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251100 260315734 /nfs/dbraw/zinc/31/57/34/260315734.db2.gz QTJDRDLRJGYZSS-KIMDAOQFSA-N 1 0 278.352 2.443 20 5 CEBDRO COC[C@@H](C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000518009628 260333579 /nfs/dbraw/zinc/33/35/79/260333579.db2.gz GYZWISQKKPENCB-NSHDSACASA-N 1 0 291.351 2.491 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000449276837 260344689 /nfs/dbraw/zinc/34/46/89/260344689.db2.gz DBBDOQHFBACCGN-WDEREUQCSA-N 1 0 289.339 2.005 20 5 CEBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000518361933 260383843 /nfs/dbraw/zinc/38/38/43/260383843.db2.gz IAGNWYLTALLRRM-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216265565 262022812 /nfs/dbraw/zinc/02/28/12/262022812.db2.gz IZXKISDZTOFTRX-DMTLFAOVSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425977204 264249019 /nfs/dbraw/zinc/24/90/19/264249019.db2.gz JSYUFSLAXRQHFF-YPMHNXCESA-N 1 0 264.325 2.106 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036959536 270224804 /nfs/dbraw/zinc/22/48/04/270224804.db2.gz TXFXUMAHNOHRLH-QWRGUYRKSA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162233 270332731 /nfs/dbraw/zinc/33/27/31/270332731.db2.gz FZGRUZYYAUQXEI-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000393620446 270343159 /nfs/dbraw/zinc/34/31/59/270343159.db2.gz QDRAITDYBIRYBG-UHFFFAOYSA-N 1 0 266.341 2.482 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C1(C[NH3+])CCC1 ZINC000395512264 270346799 /nfs/dbraw/zinc/34/67/99/270346799.db2.gz QKWVSSJLNHYABE-UHFFFAOYSA-N 1 0 267.304 2.047 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000398393530 270358223 /nfs/dbraw/zinc/35/82/23/270358223.db2.gz YCAHOQHUMUHQTC-BXUZGUMPSA-N 1 0 291.351 2.162 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000399618430 270370756 /nfs/dbraw/zinc/37/07/56/270370756.db2.gz ZVXFLRUBONMQHZ-MJVIPROJSA-N 1 0 293.367 2.391 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[C@H]1CCC[NH2+]1)CCN2 ZINC000420234233 270489814 /nfs/dbraw/zinc/48/98/14/270489814.db2.gz HFIRXYYWQGNBLP-SNVBAGLBSA-N 1 0 276.340 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420279054 270502589 /nfs/dbraw/zinc/50/25/89/270502589.db2.gz JOMCQBYUMBWQHH-QWRGUYRKSA-N 1 0 264.329 2.228 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000420282467 270503156 /nfs/dbraw/zinc/50/31/56/270503156.db2.gz NFNSINNRPHUWTO-BDAKNGLRSA-N 1 0 295.368 2.233 20 5 CEBDRO Cc1c([C@@H](C)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000423282639 270889045 /nfs/dbraw/zinc/88/90/45/270889045.db2.gz DBGDABAOOOFVBH-SNVBAGLBSA-N 1 0 251.330 2.291 20 5 CEBDRO CC(C)([NH3+])CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423288487 270890692 /nfs/dbraw/zinc/89/06/92/270890692.db2.gz SKSATALFAHJPSM-ZDUSSCGKSA-N 1 0 263.341 2.299 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[NH2+]C1 ZINC000423552414 270924357 /nfs/dbraw/zinc/92/43/57/270924357.db2.gz JXGHDELPFTXKFG-JSGCOSHPSA-N 1 0 277.368 2.258 20 5 CEBDRO COC(=O)CC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000424319205 271044343 /nfs/dbraw/zinc/04/43/43/271044343.db2.gz SALAAHLMZSOQAO-UHFFFAOYSA-N 1 0 292.335 2.069 20 5 CEBDRO Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424373864 271050635 /nfs/dbraw/zinc/05/06/35/271050635.db2.gz HOGSRODZAWMNIY-CHWSQXEVSA-N 1 0 263.341 2.263 20 5 CEBDRO CCN(CCC[NH+](C)C)c1cccc(OC)c1[N+](=O)[O-] ZINC000425253379 271147587 /nfs/dbraw/zinc/14/75/87/271147587.db2.gz JHGJRYVRQYNVRV-UHFFFAOYSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000428467924 271270367 /nfs/dbraw/zinc/27/03/67/271270367.db2.gz BXCKDAMUBSBSGN-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)F)c(Cl)c1 ZINC000428644236 271284145 /nfs/dbraw/zinc/28/41/45/271284145.db2.gz UNALYCXQDVDDPQ-QMMMGPOBSA-N 1 0 294.685 2.354 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCCCO ZINC000430235133 271364551 /nfs/dbraw/zinc/36/45/51/271364551.db2.gz XQKBFAJKPXOMLJ-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550697 271388925 /nfs/dbraw/zinc/38/89/25/271388925.db2.gz ZLYYDOVGIHNJHJ-DOMZBBRYSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000265654216 273740411 /nfs/dbraw/zinc/74/04/11/273740411.db2.gz ZMJUSZJXMKFBLJ-CYBMUJFWSA-N 1 0 293.367 2.331 20 5 CEBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000301778608 274034769 /nfs/dbraw/zinc/03/47/69/274034769.db2.gz QBVPXNXIKGOPLM-BETUJISGSA-N 1 0 293.367 2.140 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000229581801 274418340 /nfs/dbraw/zinc/41/83/40/274418340.db2.gz MKJGWCWDTHLJFB-WPRPVWTQSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(=O)NCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192631453 275480577 /nfs/dbraw/zinc/48/05/77/275480577.db2.gz YJWKLFDMKIGONX-HNNXBMFYSA-N 1 0 291.351 2.088 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000307903995 275879109 /nfs/dbraw/zinc/87/91/09/275879109.db2.gz YNPAWAUSQXODOS-NSHDSACASA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000353559636 276568877 /nfs/dbraw/zinc/56/88/77/276568877.db2.gz LHUUODUMTVVWNP-UPJWGTAASA-N 1 0 296.371 2.290 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000184367178 276584945 /nfs/dbraw/zinc/58/49/45/276584945.db2.gz LCTJFULKQRYXHK-NSHDSACASA-N 1 0 295.368 2.297 20 5 CEBDRO CN(CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415100992 276942374 /nfs/dbraw/zinc/94/23/74/276942374.db2.gz BGQCZQAFAJSBKT-UHFFFAOYSA-N 1 0 275.308 2.245 20 5 CEBDRO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000297236865 277004199 /nfs/dbraw/zinc/00/41/99/277004199.db2.gz UKXOVLQAETXULC-NSHDSACASA-N 1 0 289.339 2.002 20 5 CEBDRO C[NH+]1CCC2(CCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000373859462 277036781 /nfs/dbraw/zinc/03/67/81/277036781.db2.gz NAMMHLDTEKTEKA-UHFFFAOYSA-N 1 0 296.396 2.364 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272232340 277179008 /nfs/dbraw/zinc/17/90/08/277179008.db2.gz UXKDWTZPLPQWPA-CABZTGNLSA-N 1 0 296.758 2.174 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414663392 277284346 /nfs/dbraw/zinc/28/43/46/277284346.db2.gz RZKRDZVALAZMQA-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346630626 277285398 /nfs/dbraw/zinc/28/53/98/277285398.db2.gz BXIMNQHCGBWOOZ-BTKRWWFXSA-N 1 0 275.352 2.292 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126472304 277597989 /nfs/dbraw/zinc/59/79/89/277597989.db2.gz LHRDRHJMQCEZBV-LBPRGKRZSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000261709054 278121782 /nfs/dbraw/zinc/12/17/82/278121782.db2.gz BUIAMPHNVHCEJZ-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131785606 278213853 /nfs/dbraw/zinc/21/38/53/278213853.db2.gz TYGHHZPXJZZGGX-VWYCJHECSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1ccnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000070496656 278983954 /nfs/dbraw/zinc/98/39/54/278983954.db2.gz DILGFDRHECQNLO-CYBMUJFWSA-N 1 0 290.367 2.267 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000130026680 279404366 /nfs/dbraw/zinc/40/43/66/279404366.db2.gz SUYGIOFWKFJORR-ZANVPECISA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000246536128 280299801 /nfs/dbraw/zinc/29/98/01/280299801.db2.gz CSFMECSNLRBXSE-RYUDHWBXSA-N 1 0 266.345 2.159 20 5 CEBDRO CC[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248374722 280344989 /nfs/dbraw/zinc/34/49/89/280344989.db2.gz SUNQKYVATNDBMG-GHMZBOCLSA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[NH+](C)[C@@H](C)C2)n1 ZINC000338796468 280399732 /nfs/dbraw/zinc/39/97/32/280399732.db2.gz SLZILRSDLFRHIH-RYUDHWBXSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000352767522 281022704 /nfs/dbraw/zinc/02/27/04/281022704.db2.gz BYZVZOKSTTWMOL-MJVIPROJSA-N 1 0 264.325 2.277 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423437569 281041745 /nfs/dbraw/zinc/04/17/45/281041745.db2.gz GGDUSTDKXYQUTG-MXWKQRLJSA-N 1 0 281.356 2.380 20 5 CEBDRO CC[C@H](NC[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423513494 281058694 /nfs/dbraw/zinc/05/86/94/281058694.db2.gz LUDWQNVBJAKXSD-CABCVRRESA-N 1 0 293.367 2.014 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424310862 281146365 /nfs/dbraw/zinc/14/63/65/281146365.db2.gz DBHYOCCSAQOCHD-YNEHKIRRSA-N 1 0 250.298 2.159 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000424378788 281153654 /nfs/dbraw/zinc/15/36/54/281153654.db2.gz NTNNUZXCTJSZRD-KMVAXQJASA-N 1 0 275.352 2.468 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000439140325 281491620 /nfs/dbraw/zinc/49/16/20/281491620.db2.gz YZKZUQLZFCTCMN-LBPRGKRZSA-N 1 0 281.356 2.100 20 5 CEBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000445879921 281703776 /nfs/dbraw/zinc/70/37/76/281703776.db2.gz JPAOBRNNIZQZIV-SNVBAGLBSA-N 1 0 294.277 2.358 20 5 CEBDRO CN(C(=O)C12CCC[NH+]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000374006612 288790406 /nfs/dbraw/zinc/79/04/06/288790406.db2.gz VDRIRVVPFHJCJK-UHFFFAOYSA-N 1 0 289.335 2.186 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272621 289051449 /nfs/dbraw/zinc/05/14/49/289051449.db2.gz ZAXXZKSBQOOHOJ-DGCLKSJQSA-N 1 0 275.352 2.310 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000155879829 289185000 /nfs/dbraw/zinc/18/50/00/289185000.db2.gz KPLXARMVFNXABS-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000159220505 289249119 /nfs/dbraw/zinc/24/91/19/289249119.db2.gz UWQBRXRPHRDJSC-GHMZBOCLSA-N 1 0 250.298 2.219 20 5 CEBDRO Cc1cc(NC(=O)NC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455102243 289421912 /nfs/dbraw/zinc/42/19/12/289421912.db2.gz ZFUNPIPZNLUTPY-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150620 289947154 /nfs/dbraw/zinc/94/71/54/289947154.db2.gz CRJFBAMCXZNDGM-OVWNDWIMSA-N 1 0 282.365 2.157 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459745444 290225446 /nfs/dbraw/zinc/22/54/46/290225446.db2.gz SRHWQTULLZKMMY-YPMHNXCESA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000471723222 290279661 /nfs/dbraw/zinc/27/96/61/290279661.db2.gz DGRWJYMZHNBYGO-CABZTGNLSA-N 1 0 276.340 2.193 20 5 CEBDRO CC(C)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487080543 290331050 /nfs/dbraw/zinc/33/10/50/290331050.db2.gz SVFXONNILPTSPT-LBPRGKRZSA-N 1 0 298.774 2.420 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000487517209 290350586 /nfs/dbraw/zinc/35/05/86/290350586.db2.gz HOJZTBUNGPTIGV-ZVYZJRAXSA-N 1 0 275.352 2.290 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000157758886 295273530 /nfs/dbraw/zinc/27/35/30/295273530.db2.gz GYQPMUUPNCQIBM-LDYMZIIASA-N 1 0 297.742 2.105 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000376763292 295356017 /nfs/dbraw/zinc/35/60/17/295356017.db2.gz DKULHOQAHDHDJW-CYBMUJFWSA-N 1 0 290.367 2.242 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000539042726 298243778 /nfs/dbraw/zinc/24/37/78/298243778.db2.gz HQWRISKJBQYWRF-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000542522899 298291705 /nfs/dbraw/zinc/29/17/05/298291705.db2.gz YYHGSDPXGXYZFS-GFCCVEGCSA-N 1 0 282.340 2.364 20 5 CEBDRO Cc1ccnc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286472909 302275174 /nfs/dbraw/zinc/27/51/74/302275174.db2.gz VZELDZGSCHDHDR-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044541748 303396086 /nfs/dbraw/zinc/39/60/86/303396086.db2.gz TVECKHITIJJKPD-JTQLQIEISA-N 1 0 297.742 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000515390673 313069257 /nfs/dbraw/zinc/06/92/57/313069257.db2.gz MHWOFDADKYKSRM-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000557466930 313689105 /nfs/dbraw/zinc/68/91/05/313689105.db2.gz FIYAGCSWULKDRO-NWDGAFQWSA-N 1 0 293.367 2.012 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC=CCC2)c1 ZINC000570625964 314049684 /nfs/dbraw/zinc/04/96/84/314049684.db2.gz SFZLFTORRSQCHR-OCCSQVGLSA-N 1 0 292.335 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cncn1C ZINC000573528658 314164469 /nfs/dbraw/zinc/16/44/69/314164469.db2.gz KKKYFLRKZXCNRT-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1c(CN2CC[NH2+][C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000379440132 321825363 /nfs/dbraw/zinc/82/53/63/321825363.db2.gz QWKRWIWZUOKTHI-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157491049 533830801 /nfs/dbraw/zinc/83/08/01/533830801.db2.gz VDZWLKFRPBERBX-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000414714338 533911505 /nfs/dbraw/zinc/91/15/05/533911505.db2.gz VIXPZMDPVOPFJH-GHMZBOCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000357839894 533956397 /nfs/dbraw/zinc/95/63/97/533956397.db2.gz ZKWJRVNYAUJBML-WDEREUQCSA-N 1 0 279.340 2.031 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937109 534094172 /nfs/dbraw/zinc/09/41/72/534094172.db2.gz LTXSSQBGYQSSNZ-WCQYABFASA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[C@@H]([NH2+][C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161359013 520791858 /nfs/dbraw/zinc/79/18/58/520791858.db2.gz HXZANXLDRAYDBS-ZWNOBZJWSA-N 1 0 279.340 2.290 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000150285069 521188354 /nfs/dbraw/zinc/18/83/54/521188354.db2.gz NVYPQTIGXRXTNQ-LLVKDONJSA-N 1 0 280.328 2.234 20 5 CEBDRO COCCOCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443983 524010430 /nfs/dbraw/zinc/01/04/30/524010430.db2.gz BKDNHVSHFHEWIF-UHFFFAOYSA-N 1 0 288.731 2.001 20 5 CEBDRO COc1ccc(CN[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049557788 524088406 /nfs/dbraw/zinc/08/84/06/524088406.db2.gz QLFXGLDIPRVGLM-LLVKDONJSA-N 1 0 281.356 2.033 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650013 524925844 /nfs/dbraw/zinc/92/58/44/524925844.db2.gz JSBDAIVAYOVGRJ-VHSXEESVSA-N 1 0 290.323 2.128 20 5 CEBDRO CC(=O)NC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236636380 534840174 /nfs/dbraw/zinc/84/01/74/534840174.db2.gz DNEIMALGCKJUCH-UHFFFAOYSA-N 1 0 291.351 2.132 20 5 CEBDRO O=C(CCC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000050940992 526412291 /nfs/dbraw/zinc/41/22/91/526412291.db2.gz SIDWFFBPIHRUIT-UHFFFAOYSA-N 1 0 277.324 2.313 20 5 CEBDRO C[NH2+]C[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237282001 536460568 /nfs/dbraw/zinc/46/05/68/536460568.db2.gz HJZPQAIQETXITQ-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO [NH3+]C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444848 527218085 /nfs/dbraw/zinc/21/80/85/527218085.db2.gz OONCFIDPJBVATM-VIFPVBQESA-N 1 0 269.732 2.029 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000156421958 527390098 /nfs/dbraw/zinc/39/00/98/527390098.db2.gz MAWGWRMRJQYZGV-SECBINFHSA-N 1 0 265.288 2.383 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000174646748 527976859 /nfs/dbraw/zinc/97/68/59/527976859.db2.gz ADEHDXLCXGWSPA-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000133757806 529082122 /nfs/dbraw/zinc/08/21/22/529082122.db2.gz VSOGOMSEBUTNHL-LLVKDONJSA-N 1 0 279.340 2.500 20 5 CEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000742237541 575012789 /nfs/dbraw/zinc/01/27/89/575012789.db2.gz LQPIELIIYZBQNE-NSHDSACASA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cnc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742429519 575021740 /nfs/dbraw/zinc/02/17/40/575021740.db2.gz FFUCWPQMRZEOKI-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000747398931 575170028 /nfs/dbraw/zinc/17/00/28/575170028.db2.gz NUEZCPNHHABPOI-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO COc1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000749295830 575212852 /nfs/dbraw/zinc/21/28/52/575212852.db2.gz JHFXXOCIZXREQU-UHFFFAOYSA-N 1 0 294.351 2.387 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000235382247 625354238 /nfs/dbraw/zinc/35/42/38/625354238.db2.gz ZBAVKYPHFLBGRB-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO COC(C)(C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932372491 622689117 /nfs/dbraw/zinc/68/91/17/622689117.db2.gz MMOMJMGYPSGYIF-VIFPVBQESA-N 1 0 292.339 2.374 20 5 CEBDRO C[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000261602256 623393715 /nfs/dbraw/zinc/39/37/15/623393715.db2.gz QMIZCYZJYUOULF-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000891434856 623646390 /nfs/dbraw/zinc/64/63/90/623646390.db2.gz RIRGEZVUASCRTB-LLVKDONJSA-N 1 0 283.376 2.251 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178335441 623979948 /nfs/dbraw/zinc/97/99/48/623979948.db2.gz IBTVCZGQWXBHFO-UHFFFAOYSA-N 1 0 284.287 2.165 20 5 CEBDRO CCC[NH+](CCC)CCCNc1c([N+](=O)[O-])cnn1C ZINC000892311322 624707571 /nfs/dbraw/zinc/70/75/71/624707571.db2.gz XOMBNYRRIXHVHT-UHFFFAOYSA-N 1 0 283.376 2.252 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000926796136 627385833 /nfs/dbraw/zinc/38/58/33/627385833.db2.gz NKJXVOYJWAWUTA-WCQYABFASA-N 1 0 291.351 2.050 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278593 628231587 /nfs/dbraw/zinc/23/15/87/628231587.db2.gz HQWZAVBGFOKFCK-ZJUUUORDSA-N 1 0 266.297 2.197 20 5 CEBDRO CC[C@H](C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21)[NH+](C)C ZINC000840409985 634637960 /nfs/dbraw/zinc/63/79/60/634637960.db2.gz WZXSBDYQQSGDSY-GFCCVEGCSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000925694687 628519487 /nfs/dbraw/zinc/51/94/87/628519487.db2.gz RXJDXTUHFDXYEE-IJLUTSLNSA-N 1 0 291.351 2.303 20 5 CEBDRO C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779477 628804379 /nfs/dbraw/zinc/80/43/79/628804379.db2.gz ODEDBVSHLTXSPL-ZYHUDNBSSA-N 1 0 299.321 2.490 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931774364 628842778 /nfs/dbraw/zinc/84/27/78/628842778.db2.gz XJMZBQFDPCUAON-VIFPVBQESA-N 1 0 292.257 2.474 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@H+](C)C(C)C ZINC000893915301 629044289 /nfs/dbraw/zinc/04/42/89/629044289.db2.gz XHOBLECDBRLWKM-SNVBAGLBSA-N 1 0 282.344 2.139 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC000261736673 629171022 /nfs/dbraw/zinc/17/10/22/629171022.db2.gz LOVROAYAGLXQSC-RISCZKNCSA-N 1 0 295.770 2.432 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C)([NH+](C)C)CC1 ZINC000894850192 629689096 /nfs/dbraw/zinc/68/90/96/629689096.db2.gz VFWSUTAPNTVTFQ-UHFFFAOYSA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CC[NH+](C)C)C2)n1 ZINC000895331695 630119606 /nfs/dbraw/zinc/11/96/06/630119606.db2.gz VPDDMGFFXKNXGA-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC(=O)c1c(N[C@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000895734232 630324628 /nfs/dbraw/zinc/32/46/28/630324628.db2.gz KVRIQBADDMOMDK-KOLCDFICSA-N 1 0 277.324 2.302 20 5 CEBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895785568 630344094 /nfs/dbraw/zinc/34/40/94/630344094.db2.gz VBCDASLIJNAELY-QKMKSPIGSA-N 1 0 290.367 2.377 20 5 CEBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000896116272 630468706 /nfs/dbraw/zinc/46/87/06/630468706.db2.gz FUYGKWOWQIPIOE-SECBINFHSA-N 1 0 273.358 2.035 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913940 630797722 /nfs/dbraw/zinc/79/77/22/630797722.db2.gz YYRPGCUSTAELRO-YGRLFVJLSA-N 1 0 279.315 2.122 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847836 631148806 /nfs/dbraw/zinc/14/88/06/631148806.db2.gz KFPZBCLHAPCNIX-GFCCVEGCSA-N 1 0 278.356 2.144 20 5 CEBDRO C[C@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000800854437 631149514 /nfs/dbraw/zinc/14/95/14/631149514.db2.gz FIEABVPTIAKAPF-ONGXEEELSA-N 1 0 264.329 2.072 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000089168840 631184454 /nfs/dbraw/zinc/18/44/54/631184454.db2.gz YAOHLKHHAQNCOC-OCCSQVGLSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)(C)C[NH+](C)C ZINC000897419754 631338028 /nfs/dbraw/zinc/33/80/28/631338028.db2.gz QWNAEYDGVBRBBN-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO C[C@@H](C[NH2+][C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897466434 631532742 /nfs/dbraw/zinc/53/27/42/631532742.db2.gz UMRVAARCJSIYGP-NWDGAFQWSA-N 1 0 264.325 2.467 20 5 CEBDRO C[C@H](C[NH2+]Cc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000897470110 631538187 /nfs/dbraw/zinc/53/81/87/631538187.db2.gz YJIVDAKJAKYQQH-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO COC[C@](C)([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804458735 631687385 /nfs/dbraw/zinc/68/73/85/631687385.db2.gz ODYHJVHHLAJVPQ-LLVKDONJSA-N 1 0 273.720 2.024 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000041123350 632383525 /nfs/dbraw/zinc/38/35/25/632383525.db2.gz FFYDRAVFTYJIRJ-JTQLQIEISA-N 1 0 262.269 2.301 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@H]2CCCCO2)cs1 ZINC000813333484 632671923 /nfs/dbraw/zinc/67/19/23/632671923.db2.gz QJYQOHBPSZLQBA-LBPRGKRZSA-N 1 0 286.353 2.289 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579748 633033512 /nfs/dbraw/zinc/03/35/12/633033512.db2.gz UDEUXZINIAEZQM-QMTHXVAHSA-N 1 0 279.340 2.254 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817368554 633642756 /nfs/dbraw/zinc/64/27/56/633642756.db2.gz IPFACPPQWCWHMD-LBPRGKRZSA-N 1 0 264.329 2.261 20 5 CEBDRO C[C@@H]([NH2+]C1CCS(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000042353817 633781350 /nfs/dbraw/zinc/78/13/50/633781350.db2.gz DBNZMIRGSBBUKF-GHFMQEIDSA-N 1 0 282.365 2.157 20 5 CEBDRO C[C@H]([NH2+]C1CCS(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000042353814 633781540 /nfs/dbraw/zinc/78/15/40/633781540.db2.gz DBNZMIRGSBBUKF-HJXMOBQMSA-N 1 0 282.365 2.157 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCSCC2)c1 ZINC000818995553 634032685 /nfs/dbraw/zinc/03/26/85/634032685.db2.gz XTMNVFSSQWOQJU-ZDUSSCGKSA-N 1 0 282.365 2.113 20 5 CEBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000819142632 634081750 /nfs/dbraw/zinc/08/17/50/634081750.db2.gz SFAGABXMDJDBFG-AWEZNQCLSA-N 1 0 294.351 2.035 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000819170737 634091247 /nfs/dbraw/zinc/09/12/47/634091247.db2.gz NPUGAXLUXXKRJO-CMPLNLGQSA-N 1 0 286.278 2.406 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000819194054 634100409 /nfs/dbraw/zinc/10/04/09/634100409.db2.gz OCFPQPXYKUODAJ-IINYFYTJSA-N 1 0 275.308 2.307 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000822642518 634961657 /nfs/dbraw/zinc/96/16/57/634961657.db2.gz CTTCPGIRBMZIHI-ZDUSSCGKSA-N 1 0 299.415 2.060 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)cc1 ZINC000822644089 634961721 /nfs/dbraw/zinc/96/17/21/634961721.db2.gz MSGBGLJZRUAXCB-RISCZKNCSA-N 1 0 286.291 2.112 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646385 634962258 /nfs/dbraw/zinc/96/22/58/634962258.db2.gz GDGICVGSUPFCQL-ONGXEEELSA-N 1 0 288.307 2.034 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903090786 634964637 /nfs/dbraw/zinc/96/46/37/634964637.db2.gz HIVDTCKRAKZGRH-GHMZBOCLSA-N 1 0 281.356 2.204 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(O)CCC2)cc([N+](=O)[O-])c1 ZINC000903093808 634975051 /nfs/dbraw/zinc/97/50/51/634975051.db2.gz VFOOMEMSQOMSNH-JTQLQIEISA-N 1 0 280.324 2.169 20 5 CEBDRO Cc1ccc(-c2noc(CC[C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722088 634980650 /nfs/dbraw/zinc/98/06/50/634980650.db2.gz BAJFQDHYANWSGO-SECBINFHSA-N 1 0 276.296 2.233 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903182970 635001369 /nfs/dbraw/zinc/00/13/69/635001369.db2.gz JEXGZUSSMZZGFI-BONVTDFDSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)cc([N+](=O)[O-])c1 ZINC000903204212 635012144 /nfs/dbraw/zinc/01/21/44/635012144.db2.gz RPRCTZPVDPJCLU-FZQKWOKYSA-N 1 0 280.324 2.431 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903300623 635048149 /nfs/dbraw/zinc/04/81/49/635048149.db2.gz JUISPSFXDIXIBT-COPLHBTASA-N 1 0 293.367 2.347 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903300626 635048363 /nfs/dbraw/zinc/04/83/63/635048363.db2.gz JUISPSFXDIXIBT-WDMOLILDSA-N 1 0 293.367 2.347 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903287944 635051438 /nfs/dbraw/zinc/05/14/38/635051438.db2.gz UBTMFZYLNISCMQ-BYPHJPMVSA-N 1 0 289.335 2.003 20 5 CEBDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903403450 635111886 /nfs/dbraw/zinc/11/18/86/635111886.db2.gz CLCSKFHXRXVWTN-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(-c2noc([C@H]3CC[NH2+][C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000823269623 635118950 /nfs/dbraw/zinc/11/89/50/635118950.db2.gz JJTTXVINXSXRNT-SKDRFNHKSA-N 1 0 288.307 2.419 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903553301 635166869 /nfs/dbraw/zinc/16/68/69/635166869.db2.gz STWWMUAMRQUNIB-AWEZNQCLSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1cccc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000825265174 635602201 /nfs/dbraw/zinc/60/22/01/635602201.db2.gz KVAUTPDBLJODGP-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000904405220 635612349 /nfs/dbraw/zinc/61/23/49/635612349.db2.gz IYXDPSFXDMMGEJ-SNVBAGLBSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000825648488 635685951 /nfs/dbraw/zinc/68/59/51/635685951.db2.gz SQLITPFPCJWTQW-ZDUSSCGKSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000924800289 635698831 /nfs/dbraw/zinc/69/88/31/635698831.db2.gz XOIUTMNJRQRZIL-ZLDLUXBVSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000905072141 635812594 /nfs/dbraw/zinc/81/25/94/635812594.db2.gz RIBWERVEYRJRHN-UHFFFAOYSA-N 1 0 267.716 2.230 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000905254626 636176885 /nfs/dbraw/zinc/17/68/85/636176885.db2.gz DLZMZTKFCOHGMU-UHFFFAOYSA-N 1 0 267.716 2.161 20 5 CEBDRO Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1Br ZINC000905408276 636260485 /nfs/dbraw/zinc/26/04/85/636260485.db2.gz NGGFAHDCSLVRAJ-UHFFFAOYSA-N 1 0 273.130 2.124 20 5 CEBDRO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828838206 636696817 /nfs/dbraw/zinc/69/68/17/636696817.db2.gz ZLYRFIXWUSAZLS-CABCVRRESA-N 1 0 294.351 2.128 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000830480779 637081874 /nfs/dbraw/zinc/08/18/74/637081874.db2.gz TWVFNNLHIAKKSN-SECBINFHSA-N 1 0 299.277 2.106 20 5 CEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832575201 637617773 /nfs/dbraw/zinc/61/77/73/637617773.db2.gz ZFVUIQNEGYDCFK-RBSFLKMASA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1O ZINC000166145629 639450280 /nfs/dbraw/zinc/45/02/80/639450280.db2.gz ZNQJYVXNGNYONI-ZANVPECISA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058340811 639506918 /nfs/dbraw/zinc/50/69/18/639506918.db2.gz KBBOOWTWJNQSCH-UHFFFAOYSA-N 1 0 294.311 2.401 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000841036057 639627554 /nfs/dbraw/zinc/62/75/54/639627554.db2.gz NSKNZHFIDLBZIM-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO CCC[NH2+]CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841046589 639631066 /nfs/dbraw/zinc/63/10/66/639631066.db2.gz IGGRMUWUGRGPBC-UHFFFAOYSA-N 1 0 271.748 2.337 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCOC3CCCC3)C2)c1 ZINC000876985316 650519710 /nfs/dbraw/zinc/51/97/10/650519710.db2.gz YILNWUNUSCSDKQ-UHFFFAOYSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918413 639827866 /nfs/dbraw/zinc/82/78/66/639827866.db2.gz YQXJUMAJLUFZPA-GHMZBOCLSA-N 1 0 252.318 2.259 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000231885346 639881651 /nfs/dbraw/zinc/88/16/51/639881651.db2.gz IRCNGVSWLCYWTK-CYBMUJFWSA-N 1 0 276.292 2.319 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477080 640076561 /nfs/dbraw/zinc/07/65/61/640076561.db2.gz GBKIETUOUHSTNX-WFASDCNBSA-N 1 0 275.352 2.484 20 5 CEBDRO CO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877066967 650557537 /nfs/dbraw/zinc/55/75/37/650557537.db2.gz BNWWOIOPXLZFKQ-XIVSLSHWSA-N 1 0 296.371 2.146 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843057857 640260199 /nfs/dbraw/zinc/26/01/99/640260199.db2.gz MRTSRRRUGCOMQJ-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843074667 640269409 /nfs/dbraw/zinc/26/94/09/640269409.db2.gz HPVKVSZPMMDMNH-CORIIIEPSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843129533 640296328 /nfs/dbraw/zinc/29/63/28/640296328.db2.gz PMSLEGRGRQZCTB-BDAKNGLRSA-N 1 0 271.748 2.464 20 5 CEBDRO COc1cccc(-c2nc([C@H]([NH3+])C(C)C)no2)c1[N+](=O)[O-] ZINC000843151155 640309420 /nfs/dbraw/zinc/30/94/20/640309420.db2.gz CUPOWQOPTUQCHT-SNVBAGLBSA-N 1 0 292.295 2.309 20 5 CEBDRO Cc1ccc(-c2noc(CC[NH2+]C(C)C)n2)cc1[N+](=O)[O-] ZINC000843179194 640330402 /nfs/dbraw/zinc/33/04/02/640330402.db2.gz ZWSWHJDNTZHNJO-UHFFFAOYSA-N 1 0 290.323 2.494 20 5 CEBDRO CCC[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192381 640343514 /nfs/dbraw/zinc/34/35/14/640343514.db2.gz TXIHMLMFPLMISU-VIFPVBQESA-N 1 0 291.311 2.024 20 5 CEBDRO Cc1cc(-c2noc([C@@]3(C)CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239934 640366405 /nfs/dbraw/zinc/36/64/05/640366405.db2.gz RDBYOVCLKHVLHS-AWEZNQCLSA-N 1 0 288.307 2.204 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324259416 640378540 /nfs/dbraw/zinc/37/85/40/640378540.db2.gz CFJULRLDOUKUMU-UONOGXRCSA-N 1 0 264.325 2.406 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843365395 640405215 /nfs/dbraw/zinc/40/52/15/640405215.db2.gz HJKRIWZMMCTJKK-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCC(F)(F)C3)C2)c1 ZINC000877107181 650576680 /nfs/dbraw/zinc/57/66/80/650576680.db2.gz YUEGGKZBLSGLLQ-XNWIYYODSA-N 1 0 286.282 2.272 20 5 CEBDRO CC(=O)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000153498442 640520416 /nfs/dbraw/zinc/52/04/16/640520416.db2.gz OUPYRRQTGGHOAJ-UHFFFAOYSA-N 1 0 292.335 2.431 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153586202 640552292 /nfs/dbraw/zinc/55/22/92/640552292.db2.gz XFISNFBKFOFRKO-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000915624209 640595171 /nfs/dbraw/zinc/59/51/71/640595171.db2.gz MASSWWLYGPKCAY-CYBMUJFWSA-N 1 0 293.367 2.219 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844374909 640698479 /nfs/dbraw/zinc/69/84/79/640698479.db2.gz MGBLNJZQGQSKQI-GLQYFDAESA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3C4CCC3CC4)n2)c1 ZINC000917422376 640885277 /nfs/dbraw/zinc/88/52/77/640885277.db2.gz HKCZWSYDUMYTMV-UHFFFAOYSA-N 1 0 299.334 2.438 20 5 CEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845673677 641045053 /nfs/dbraw/zinc/04/50/53/641045053.db2.gz ISRVYRJSINHRFG-NSHDSACASA-N 1 0 278.308 2.236 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000920864437 641207808 /nfs/dbraw/zinc/20/78/08/641207808.db2.gz VVMPUADEWXTVET-CQSZACIVSA-N 1 0 293.367 2.219 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000174991763 641299586 /nfs/dbraw/zinc/29/95/86/641299586.db2.gz AYOHVHIBKMFOKR-UHFFFAOYSA-N 1 0 293.367 2.273 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071300338 641740034 /nfs/dbraw/zinc/74/00/34/641740034.db2.gz XWIPBOCIXXKABW-IINYFYTJSA-N 1 0 264.325 2.325 20 5 CEBDRO [NH3+]CCN(CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000877521952 650765092 /nfs/dbraw/zinc/76/50/92/650765092.db2.gz HQIBDBFJHCDDQE-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000850444991 642715873 /nfs/dbraw/zinc/71/58/73/642715873.db2.gz MUQOMPOLWHMYSS-HZMBPMFUSA-N 1 0 294.351 2.415 20 5 CEBDRO CON(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850481215 642727663 /nfs/dbraw/zinc/72/76/63/642727663.db2.gz ZKAVFHIGINKSPS-LLVKDONJSA-N 1 0 267.329 2.047 20 5 CEBDRO Cn1cc(C[NH+]2CCCCCCCC2)c([N+](=O)[O-])n1 ZINC000877569683 650794278 /nfs/dbraw/zinc/79/42/78/650794278.db2.gz XEHSQFZYRCWZDX-UHFFFAOYSA-N 1 0 266.345 2.485 20 5 CEBDRO COC(OC)[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000922312769 643020911 /nfs/dbraw/zinc/02/09/11/643020911.db2.gz AZKWVGCDEBZJMP-LLVKDONJSA-N 1 0 282.340 2.309 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccns1 ZINC000877659688 650838198 /nfs/dbraw/zinc/83/81/98/650838198.db2.gz ZMFVAZVBPSOLEE-XNWIYYODSA-N 1 0 293.352 2.302 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000852535036 643462100 /nfs/dbraw/zinc/46/21/00/643462100.db2.gz UEFBQAQOWIDYFJ-BXUZGUMPSA-N 1 0 280.299 2.202 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000923441278 643717677 /nfs/dbraw/zinc/71/76/77/643717677.db2.gz IYQLYTDYUAYOTE-DCAQKATOSA-N 1 0 281.331 2.305 20 5 CEBDRO Cc1c(CN(C)[C@@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000877705946 650861840 /nfs/dbraw/zinc/86/18/40/650861840.db2.gz BIWPBCNZSMGSRC-MRXNPFEDSA-N 1 0 289.379 2.429 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC000923497952 643740071 /nfs/dbraw/zinc/74/00/71/643740071.db2.gz NNBBHNLSYZUMTC-MNOVXSKESA-N 1 0 281.331 2.151 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000853634432 643839379 /nfs/dbraw/zinc/83/93/79/643839379.db2.gz RHXXZFWULZHTIJ-RYUDHWBXSA-N 1 0 264.329 2.403 20 5 CEBDRO COc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853649085 643846013 /nfs/dbraw/zinc/84/60/13/643846013.db2.gz XPLYQGZDPQBECJ-TXEJJXNPSA-N 1 0 293.367 2.441 20 5 CEBDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1C ZINC000853696250 643868314 /nfs/dbraw/zinc/86/83/14/643868314.db2.gz CHRSJQYWEYJYAH-LBPRGKRZSA-N 1 0 293.367 2.442 20 5 CEBDRO Cc1cc(-c2noc([C@H]3C[C@H]([NH3+])C3)n2)cc([N+](=O)[O-])c1 ZINC000854159553 644001192 /nfs/dbraw/zinc/00/11/92/644001192.db2.gz FTIBYJWNQILYSZ-MGCOHNPYSA-N 1 0 274.280 2.158 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000788132747 644145706 /nfs/dbraw/zinc/14/57/06/644145706.db2.gz HZLHTFQKTYDGBL-OCCSQVGLSA-N 1 0 290.319 2.378 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839672379 644780382 /nfs/dbraw/zinc/78/03/82/644780382.db2.gz FVKQADUSYLENOP-PWSUYJOCSA-N 1 0 282.315 2.327 20 5 CEBDRO COC(C)(C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000758411945 644927627 /nfs/dbraw/zinc/92/76/27/644927627.db2.gz LAOGAKBOPZSQOY-UHFFFAOYSA-N 1 0 292.339 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)F)cc1Cl ZINC000763540933 645556072 /nfs/dbraw/zinc/55/60/72/645556072.db2.gz MJBYCYRLSVMEHI-QMMMGPOBSA-N 1 0 294.685 2.354 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686971 645568834 /nfs/dbraw/zinc/56/88/34/645568834.db2.gz YLYMJQPMGNDMOE-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860357509 645771555 /nfs/dbraw/zinc/77/15/55/645771555.db2.gz GIBWHHHLCFYYBT-UHFFFAOYSA-N 1 0 299.330 2.184 20 5 CEBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849916 645816572 /nfs/dbraw/zinc/81/65/72/645816572.db2.gz UVXKLHGAJZADMM-XUJVJEKNSA-N 1 0 294.351 2.033 20 5 CEBDRO O=C(OCCC[N+](=O)[O-])c1cccc(C[NH+]2CCCC2)c1 ZINC000860918269 645947086 /nfs/dbraw/zinc/94/70/86/645947086.db2.gz DZEJRUJRHFMPJN-UHFFFAOYSA-N 1 0 292.335 2.106 20 5 CEBDRO CS[C@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000767292965 645974523 /nfs/dbraw/zinc/97/45/23/645974523.db2.gz WDLPLWCTNXVRIA-KGLIPLIRSA-N 1 0 295.408 2.385 20 5 CEBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000013758072 646257499 /nfs/dbraw/zinc/25/74/99/646257499.db2.gz QQJITXSNTXFJSV-UHFFFAOYSA-N 1 0 277.368 2.165 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000863562890 646757103 /nfs/dbraw/zinc/75/71/03/646757103.db2.gz MGBUVRJOPCKFHX-IUODEOHRSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)[NH3+] ZINC000863569917 646759423 /nfs/dbraw/zinc/75/94/23/646759423.db2.gz XYLYMMKISIOAKR-NSHDSACASA-N 1 0 281.356 2.161 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000775549910 646964982 /nfs/dbraw/zinc/96/49/82/646964982.db2.gz RQDYHBFCENPLEI-NSHDSACASA-N 1 0 293.323 2.006 20 5 CEBDRO CC1(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590940 647076114 /nfs/dbraw/zinc/07/61/14/647076114.db2.gz KPEUNGUWMLTIRA-LBPRGKRZSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1nn(CN2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000780497035 647434813 /nfs/dbraw/zinc/43/48/13/647434813.db2.gz LKPFZOMUWIOZSW-GFCCVEGCSA-N 1 0 266.345 2.425 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866207042 647670817 /nfs/dbraw/zinc/67/08/17/647670817.db2.gz UTBFYHBRPWGDMM-YPMHNXCESA-N 1 0 291.351 2.134 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000866207037 647670901 /nfs/dbraw/zinc/67/09/01/647670901.db2.gz UTBFYHBRPWGDMM-DGCLKSJQSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](C)O ZINC000866267795 647706162 /nfs/dbraw/zinc/70/61/62/647706162.db2.gz SUDIIGIYBCORJM-ZJUUUORDSA-N 1 0 270.304 2.025 20 5 CEBDRO Cc1cccc(C[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000866307835 647728732 /nfs/dbraw/zinc/72/87/32/647728732.db2.gz KVMSTKFOGIYDLC-ZDUSSCGKSA-N 1 0 288.351 2.321 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CC2)cc1Cl ZINC000783648384 647744105 /nfs/dbraw/zinc/74/41/05/647744105.db2.gz HEIGLIWLKSXTGP-NSHDSACASA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1O ZINC000783680069 647747341 /nfs/dbraw/zinc/74/73/41/647747341.db2.gz PTXKALMAQTZYAT-NOZJJQNGSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000866346546 647747822 /nfs/dbraw/zinc/74/78/22/647747822.db2.gz AXYZRRCFXQWWFX-IFQILLTASA-N 1 0 296.342 2.416 20 5 CEBDRO Cc1ccc(CN[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000866661660 647859576 /nfs/dbraw/zinc/85/95/76/647859576.db2.gz RVTYPTMBGMSYMW-AWEZNQCLSA-N 1 0 265.357 2.366 20 5 CEBDRO CCC(CC)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956116 648001107 /nfs/dbraw/zinc/00/11/07/648001107.db2.gz NOQCOCYGLBFSNZ-OAHLLOKOSA-N 1 0 293.367 2.321 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788592688 648205740 /nfs/dbraw/zinc/20/57/40/648205740.db2.gz FFNWSAMMIMZIGY-PWSUYJOCSA-N 1 0 290.367 2.064 20 5 CEBDRO CC[NH+](CC)CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000789940835 648360590 /nfs/dbraw/zinc/36/05/90/648360590.db2.gz DHEYYPQUVBMBEY-YFHOEESVSA-N 1 0 292.335 2.493 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000872232025 649323014 /nfs/dbraw/zinc/32/30/14/649323014.db2.gz XLURNSLXTWXPCN-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872251591 649328990 /nfs/dbraw/zinc/32/89/90/649328990.db2.gz OTRQERWSDFJWAH-CYBMUJFWSA-N 1 0 289.335 2.456 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCCC1 ZINC000873008228 649529708 /nfs/dbraw/zinc/52/97/08/649529708.db2.gz PMYQTYYEPUZDLG-UHFFFAOYSA-N 1 0 277.368 2.397 20 5 CEBDRO CCCNC(=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873022989 649534531 /nfs/dbraw/zinc/53/45/31/649534531.db2.gz VNZSLHUPSVPSRQ-UHFFFAOYSA-N 1 0 293.367 2.218 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000873109548 649559689 /nfs/dbraw/zinc/55/96/89/649559689.db2.gz XIZOPDLHYLNMOT-KGLIPLIRSA-N 1 0 278.352 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000873113222 649559800 /nfs/dbraw/zinc/55/98/00/649559800.db2.gz UVKJMJCKCSHXIV-STQMWFEESA-N 1 0 278.352 2.462 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000873130380 649565153 /nfs/dbraw/zinc/56/51/53/649565153.db2.gz CVFXWJJDGXXPQQ-CMPLNLGQSA-N 1 0 288.294 2.397 20 5 CEBDRO CO[C@H]1C[C@@H](C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000878598801 651137935 /nfs/dbraw/zinc/13/79/35/651137935.db2.gz NRQBLSYAPHOTLC-XBXGTLAGSA-N 1 0 278.352 2.494 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000880131373 651387706 /nfs/dbraw/zinc/38/77/06/651387706.db2.gz KDXYEXYFNRQDJN-CABCVRRESA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880136587 651389329 /nfs/dbraw/zinc/38/93/29/651389329.db2.gz OQXVMDMHPXOCAC-HUUCEWRRSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(F)CC2)cc1 ZINC000880239700 651407141 /nfs/dbraw/zinc/40/71/41/651407141.db2.gz DKBVFZFDLDMOAA-CYBMUJFWSA-N 1 0 268.288 2.062 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(F)CC2)c1 ZINC000880240132 651407225 /nfs/dbraw/zinc/40/72/25/651407225.db2.gz MNZSPZTZJBTQPO-CYBMUJFWSA-N 1 0 268.288 2.062 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000882018235 651939690 /nfs/dbraw/zinc/93/96/90/651939690.db2.gz RZYYJOFTWPBASY-RKDXNWHRSA-N 1 0 268.292 2.024 20 5 CEBDRO C[NH+](C)C1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882473076 652088508 /nfs/dbraw/zinc/08/85/08/652088508.db2.gz WTHSTEKSDFKQMF-UHFFFAOYSA-N 1 0 282.319 2.414 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882494171 652107072 /nfs/dbraw/zinc/10/70/72/652107072.db2.gz OAYYMQCOFZAXQC-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ccnc(N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882963981 652294429 /nfs/dbraw/zinc/29/44/29/652294429.db2.gz PASGWZNDDKELGZ-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CON(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000883172036 652388464 /nfs/dbraw/zinc/38/84/64/652388464.db2.gz RLTOAQBAUYCBRB-XFXZXTDPSA-N 1 0 279.340 2.081 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C[C@@H]2C[C@H](F)C[NH2+]2)C2CC2)cc1 ZINC000883430671 652467279 /nfs/dbraw/zinc/46/72/79/652467279.db2.gz ZXWGRWDAVLPHFR-STQMWFEESA-N 1 0 293.342 2.259 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442431 652471713 /nfs/dbraw/zinc/47/17/13/652471713.db2.gz LCNQDQUCKKYGTH-NEPJUHHUSA-N 1 0 283.759 2.464 20 5 CEBDRO COC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131997621 652485583 /nfs/dbraw/zinc/48/55/83/652485583.db2.gz XPHNIELCTCGNFL-LBPRGKRZSA-N 1 0 293.367 2.188 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132279962 652509804 /nfs/dbraw/zinc/50/98/04/652509804.db2.gz JLOTWDDOMOUWNZ-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[NH2+]CC2)c1C ZINC000884265696 652773465 /nfs/dbraw/zinc/77/34/65/652773465.db2.gz QRMBXBGXTZTOOB-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC000611615952 721946208 /nfs/dbraw/zinc/94/62/08/721946208.db2.gz NCBGVIRQHRXJQO-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO COc1cccc(O[C@H](C)C[N+](C)(C)C)c1C(C)=O ZINC001226651509 805674407 /nfs/dbraw/zinc/67/44/07/805674407.db2.gz HBQYFUPWDGABFN-LLVKDONJSA-N 1 0 266.361 2.371 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(O)CCC1 ZINC000127405432 806290052 /nfs/dbraw/zinc/29/00/52/806290052.db2.gz KDRJGVRUCFYESP-UHFFFAOYSA-N 1 0 270.716 2.253 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160419042 806870905 /nfs/dbraw/zinc/87/09/05/806870905.db2.gz BUVFWWHVIHEVHD-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001266708971 802855167 /nfs/dbraw/zinc/85/51/67/802855167.db2.gz QWWTUEWLDXHGEI-UHFFFAOYSA-N 1 0 297.380 2.004 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712530610 814764009 /nfs/dbraw/zinc/76/40/09/814764009.db2.gz PIJPHFOAVFPTIZ-VIFPVBQESA-N 1 0 255.705 2.364 20 5 CEBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218043167 803540448 /nfs/dbraw/zinc/54/04/48/803540448.db2.gz FEJAFEDQWHYWGE-PRHODGIISA-N 1 0 268.288 2.419 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216826 815623577 /nfs/dbraw/zinc/62/35/77/815623577.db2.gz NEYFVCQQWCEXGG-WDEREUQCSA-N 1 0 252.314 2.150 20 5 CEBDRO Cc1c(NC(=O)CCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000037029857 814985485 /nfs/dbraw/zinc/98/54/85/814985485.db2.gz NYGOXVXDSMXKCT-UHFFFAOYSA-N 1 0 265.313 2.361 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225664654 805108342 /nfs/dbraw/zinc/10/83/42/805108342.db2.gz RASNRZTVXVALEA-VIFPVBQESA-N 1 0 254.261 2.207 20 5 CEBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225912787 805374876 /nfs/dbraw/zinc/37/48/76/805374876.db2.gz OEWQHUCDFHOSGJ-JTQLQIEISA-N 1 0 254.261 2.207 20 5 CEBDRO CC(C)[C@H](O)CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306149 815087368 /nfs/dbraw/zinc/08/73/68/815087368.db2.gz MZFKDUPAKQNZKE-CQSZACIVSA-N 1 0 264.325 2.317 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000168971085 808137197 /nfs/dbraw/zinc/13/71/97/808137197.db2.gz WSMVMNKNNZGPPR-ZETCQYMHSA-N 1 0 259.256 2.235 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]2C1 ZINC001120072935 815196478 /nfs/dbraw/zinc/19/64/78/815196478.db2.gz TUNXAQSZGZIWRH-HBNTYKKESA-N 1 0 296.396 2.218 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627528 809333695 /nfs/dbraw/zinc/33/36/95/809333695.db2.gz BRSBFMDAIDCULZ-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001120883794 815290827 /nfs/dbraw/zinc/29/08/27/815290827.db2.gz LULZSVIJAHEDQA-RYUDHWBXSA-N 1 0 292.339 2.037 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000702057652 809490576 /nfs/dbraw/zinc/49/05/76/809490576.db2.gz XSPAMRPZDYUFRX-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000707131731 809880135 /nfs/dbraw/zinc/88/01/35/809880135.db2.gz UOYRTDKMHFOEIM-ZDUSSCGKSA-N 1 0 282.315 2.469 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000708388472 809928455 /nfs/dbraw/zinc/92/84/55/809928455.db2.gz LXNCVUFZFUNIBK-CYBMUJFWSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896471 809999706 /nfs/dbraw/zinc/99/97/06/809999706.db2.gz BGDJOGJQVANBGR-JBLDHEPKSA-N 1 0 250.298 2.280 20 5 CEBDRO C[NH2+]CCN(C)c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001163718920 810177158 /nfs/dbraw/zinc/17/71/58/810177158.db2.gz HYEXEIVKCFQABO-UHFFFAOYSA-N 1 0 294.742 2.452 20 5 CEBDRO CCOc1cnc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001168764396 810184569 /nfs/dbraw/zinc/18/45/69/810184569.db2.gz TYVWVFQMPXRFDB-UHFFFAOYSA-N 1 0 296.371 2.388 20 5 CEBDRO C[C@@H](CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC001119386661 810463215 /nfs/dbraw/zinc/46/32/15/810463215.db2.gz OTFVKBSRCQOOBM-VIFPVBQESA-N 1 0 298.318 2.196 20 5 CEBDRO Cc1ccc(CNC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC001122108347 815384915 /nfs/dbraw/zinc/38/49/15/815384915.db2.gz OTXXPNYTJDLXFA-CYBMUJFWSA-N 1 0 293.367 2.283 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154974972 810865691 /nfs/dbraw/zinc/86/56/91/810865691.db2.gz GMECUJRFMKUGSC-HTQZYQBOSA-N 1 0 270.720 2.325 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2O)C1 ZINC001168976342 811305041 /nfs/dbraw/zinc/30/50/41/811305041.db2.gz CWYUJBCOOCNCAJ-WXYCVUISSA-N 1 0 290.363 2.070 20 5 CEBDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977791 811306936 /nfs/dbraw/zinc/30/69/36/811306936.db2.gz LYCHQZMZIZSUOK-RWMBFGLXSA-N 1 0 263.341 2.486 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C1 ZINC001168978859 811308607 /nfs/dbraw/zinc/30/86/07/811308607.db2.gz UZFJVVOSJTUKEZ-DDTOSNHZSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001168981919 811309801 /nfs/dbraw/zinc/30/98/01/811309801.db2.gz HROJEVZCEYTHPJ-QWHCGFSZSA-N 1 0 275.352 2.148 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)C1 ZINC001168984669 811310946 /nfs/dbraw/zinc/31/09/46/811310946.db2.gz PQJHSZIPXJQRNT-XWIASGKRSA-N 1 0 280.299 2.294 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985276 811311432 /nfs/dbraw/zinc/31/14/32/811311432.db2.gz SRGMJFSXBYFGMF-JSGCOSHPSA-N 1 0 276.336 2.294 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC001168955752 811312373 /nfs/dbraw/zinc/31/23/73/811312373.db2.gz BWFOEZCROZKQON-STQMWFEESA-N 1 0 264.325 2.100 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001168959361 811313364 /nfs/dbraw/zinc/31/33/64/811313364.db2.gz VEPNASMZMGTFJE-WDEREUQCSA-N 1 0 270.279 2.500 20 5 CEBDRO CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965673 811317384 /nfs/dbraw/zinc/31/73/84/811317384.db2.gz BWZMMTLWKDLEFY-BMFZPTHFSA-N 1 0 291.395 2.324 20 5 CEBDRO CN(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168965674 811317830 /nfs/dbraw/zinc/31/78/30/811317830.db2.gz BWZMMTLWKDLEFY-BPUTZDHNSA-N 1 0 291.395 2.324 20 5 CEBDRO COc1ccccc1OCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967177 811318921 /nfs/dbraw/zinc/31/89/21/811318921.db2.gz NWRQVMKNBCGUQN-QWHCGFSZSA-N 1 0 294.351 2.109 20 5 CEBDRO CN(C)c1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967542 811319457 /nfs/dbraw/zinc/31/94/57/811319457.db2.gz QJWIJNBUMFXYOM-GJZGRUSLSA-N 1 0 291.395 2.330 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001168970745 811319780 /nfs/dbraw/zinc/31/97/80/811319780.db2.gz IVTPLESWXAMGJG-NEPJUHHUSA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)COC2)C1 ZINC001168972558 811321976 /nfs/dbraw/zinc/32/19/76/811321976.db2.gz NIAYEQBJPSGDTP-RISCZKNCSA-N 1 0 294.326 2.086 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001168973353 811322486 /nfs/dbraw/zinc/32/24/86/811322486.db2.gz ONGCUZCQZASSLM-BPLDGKMQSA-N 1 0 278.352 2.145 20 5 CEBDRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998191 811326930 /nfs/dbraw/zinc/32/69/30/811326930.db2.gz JMLWCPATMPABDV-NEPJUHHUSA-N 1 0 258.362 2.227 20 5 CEBDRO Cc1cccnc1C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999071 811327091 /nfs/dbraw/zinc/32/70/91/811327091.db2.gz RSKDOSSKEOATRO-UONOGXRCSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CCCC3)C2)C1 ZINC001168997237 811327194 /nfs/dbraw/zinc/32/71/94/811327194.db2.gz YFAIAIMFVXPPGG-PMPSAXMXSA-N 1 0 295.427 2.286 20 5 CEBDRO C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011796 811335437 /nfs/dbraw/zinc/33/54/37/811335437.db2.gz MJGZQMAXLMADHQ-OLZOCXBDSA-N 1 0 264.325 2.269 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2F)C1 ZINC001168988125 811337467 /nfs/dbraw/zinc/33/74/67/811337467.db2.gz OBCFQVWZWZABNB-ONGXEEELSA-N 1 0 268.288 2.066 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2noc3ccccc23)C1 ZINC001168987974 811337677 /nfs/dbraw/zinc/33/76/77/811337677.db2.gz LYEFSRYXMALPNX-GHMZBOCLSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001168988101 811337687 /nfs/dbraw/zinc/33/76/87/811337687.db2.gz NUKUOIGVOLOTRP-ONGXEEELSA-N 1 0 269.732 2.270 20 5 CEBDRO C[N@H+](CC1CC(F)(F)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034165 811345568 /nfs/dbraw/zinc/34/55/68/811345568.db2.gz FPWGSJYJMGMWGF-MWLCHTKSSA-N 1 0 262.300 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001169036317 811347567 /nfs/dbraw/zinc/34/75/67/811347567.db2.gz NJUVHHSNDOCKRO-BBBLOLIVSA-N 1 0 266.263 2.316 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001169040449 811350423 /nfs/dbraw/zinc/35/04/23/811350423.db2.gz ZWWHQUKDQMUKII-KFWWJZLASA-N 1 0 282.384 2.180 20 5 CEBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043505 811351118 /nfs/dbraw/zinc/35/11/18/811351118.db2.gz GXKFHIBUVYGTJB-JSGCOSHPSA-N 1 0 298.383 2.240 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](C2CCC2)C2CCOCC2)C1 ZINC001169057432 811358735 /nfs/dbraw/zinc/35/87/35/811358735.db2.gz VGIURQUUSLAKBC-SWLSCSKDSA-N 1 0 282.384 2.465 20 5 CEBDRO COc1cc(-n2ccc([C@@H](C)[NH3+])n2)cc([N+](=O)[O-])c1C ZINC001169232750 811447784 /nfs/dbraw/zinc/44/77/84/811447784.db2.gz KAYNFRJXHZAKPU-SECBINFHSA-N 1 0 276.296 2.117 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC001169718779 811641372 /nfs/dbraw/zinc/64/13/72/811641372.db2.gz XCDOOGJFFUYNHB-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CC(C)(C)c1ccc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170045491 811999556 /nfs/dbraw/zinc/99/95/56/811999556.db2.gz VELUPFIUZMMCOB-LBPRGKRZSA-N 1 0 293.367 2.293 20 5 CEBDRO Cc1c(C)c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157266468 812063432 /nfs/dbraw/zinc/06/34/32/812063432.db2.gz SRSUYFYEFVADEH-OCCSQVGLSA-N 1 0 290.367 2.137 20 5 CEBDRO C[NH+]1CC(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001170256352 812363583 /nfs/dbraw/zinc/36/35/83/812363583.db2.gz HUWMMEUWCYJCKW-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO COCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170294595 812375015 /nfs/dbraw/zinc/37/50/15/812375015.db2.gz BOUAUURTJWNKFT-LLVKDONJSA-N 1 0 282.340 2.161 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC001170295248 812375810 /nfs/dbraw/zinc/37/58/10/812375810.db2.gz BWBJYTCFZFGPPW-VXGBXAGGSA-N 1 0 295.383 2.074 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170299210 812376688 /nfs/dbraw/zinc/37/66/88/812376688.db2.gz SJKOUEUHISQHQC-KGYLQXTDSA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)N2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317894 812385161 /nfs/dbraw/zinc/38/51/61/812385161.db2.gz LTFCIDXQMNBWSN-LLVKDONJSA-N 1 0 289.335 2.206 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336192 812390441 /nfs/dbraw/zinc/39/04/41/812390441.db2.gz VQXRJHQXKLOGGX-RISCZKNCSA-N 1 0 294.351 2.255 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170308204 812391699 /nfs/dbraw/zinc/39/16/99/812391699.db2.gz MIHVQWIJERJRJT-QKCSRTOESA-N 1 0 294.351 2.301 20 5 CEBDRO CC(C)(CN)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899006 815539576 /nfs/dbraw/zinc/53/95/76/815539576.db2.gz KKQOOAFJAZXVLV-CYBMUJFWSA-N 1 0 277.368 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)C1CC1)CC2 ZINC001172898443 815539665 /nfs/dbraw/zinc/53/96/65/815539665.db2.gz AYFGORZEQXXSOI-HOCLYGCPSA-N 1 0 290.363 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC001172901630 815539901 /nfs/dbraw/zinc/53/99/01/815539901.db2.gz PCRWGZCNOGFWLC-DJSGYFEHSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897643 815540032 /nfs/dbraw/zinc/54/00/32/815540032.db2.gz BWCYRJHQEPAAMR-DOMZBBRYSA-N 1 0 291.395 2.382 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170891318 813621085 /nfs/dbraw/zinc/62/10/85/813621085.db2.gz SWUPXRMEIMRIEH-ZCFIWIBFSA-N 1 0 278.234 2.158 20 5 CEBDRO Cc1cc(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001171322715 814528115 /nfs/dbraw/zinc/52/81/15/814528115.db2.gz ZHNGQOZITCVBHU-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])c1c[nH]c2nc(NC[C@@H]3CCCC[NH2+]3)ccc12 ZINC001171326992 814542262 /nfs/dbraw/zinc/54/22/62/814542262.db2.gz BKHZZPRRZCEBMH-VIFPVBQESA-N 1 0 275.312 2.025 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000712555792 814766045 /nfs/dbraw/zinc/76/60/45/814766045.db2.gz HLNYXDOPEQSIBZ-GFCCVEGCSA-N 1 0 272.308 2.259 20 5 CEBDRO CS[C@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116202354 814840286 /nfs/dbraw/zinc/84/02/86/814840286.db2.gz JDIJZRKAJRTXJS-MNOVXSKESA-N 1 0 284.385 2.007 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000713505291 814860985 /nfs/dbraw/zinc/86/09/85/814860985.db2.gz DBSBFXLFXPDZMJ-NQHOJNORSA-N 1 0 262.309 2.350 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(COC2)C1 ZINC001173220945 815625853 /nfs/dbraw/zinc/62/58/53/815625853.db2.gz DJHPFYGJRLZVSG-GFCCVEGCSA-N 1 0 276.336 2.248 20 5 CEBDRO COC(=O)CCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220611 815625945 /nfs/dbraw/zinc/62/59/45/815625945.db2.gz GEJRBJDPRYNARR-GFCCVEGCSA-N 1 0 294.351 2.459 20 5 CEBDRO COC[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221066 815626049 /nfs/dbraw/zinc/62/60/49/815626049.db2.gz FRIREOMLQIXSBT-JSGCOSHPSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CO)CC1 ZINC001173221665 815626595 /nfs/dbraw/zinc/62/65/95/815626595.db2.gz LFFOHXLFJBMPIO-GFCCVEGCSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1(C)COC1 ZINC001173234536 815633754 /nfs/dbraw/zinc/63/37/54/815633754.db2.gz RUURYSKIGPEAET-NSHDSACASA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])c1 ZINC001173209351 815635358 /nfs/dbraw/zinc/63/53/58/815635358.db2.gz BONQVHQUPCWZBZ-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)cn1 ZINC001173210016 815635695 /nfs/dbraw/zinc/63/56/95/815635695.db2.gz GQCDZXWBUWZNTC-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO CCOC(=O)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212134 815635905 /nfs/dbraw/zinc/63/59/05/815635905.db2.gz WZKXCELOJFSDFJ-LLVKDONJSA-N 1 0 280.324 2.069 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001173214463 815637000 /nfs/dbraw/zinc/63/70/00/815637000.db2.gz CFDPCNATMBRMHA-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)CN(C)C ZINC001173213687 815637365 /nfs/dbraw/zinc/63/73/65/815637365.db2.gz JUKWPAAKHAXXPD-VXGBXAGGSA-N 1 0 265.357 2.066 20 5 CEBDRO Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000036964535 816378524 /nfs/dbraw/zinc/37/85/24/816378524.db2.gz HKUHDTGJPGVLOL-ZDUSSCGKSA-N 1 0 261.325 2.409 20 5 CEBDRO C[C@H](OCCC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001206286700 816486389 /nfs/dbraw/zinc/48/63/89/816486389.db2.gz NHTNMFGJINUJAK-JTQLQIEISA-N 1 0 296.323 2.353 20 5 CEBDRO C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001141891484 816597220 /nfs/dbraw/zinc/59/72/20/816597220.db2.gz UGLLBIYSUQPUOM-NEPJUHHUSA-N 1 0 293.367 2.360 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292610 346813547 /nfs/dbraw/zinc/81/35/47/346813547.db2.gz ZYIUAHQCDCLBDI-SGMGOOAPSA-N 1 0 278.352 2.276 20 5 CEBDRO CC(C)OC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337490417 214117380 /nfs/dbraw/zinc/11/73/80/214117380.db2.gz DPZUSNKZQFLHTC-SNVBAGLBSA-N 1 0 292.339 2.374 20 5 CEBDRO O=C(CC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000035875025 361823745 /nfs/dbraw/zinc/82/37/45/361823745.db2.gz HLKVJYCVSYMPAZ-UHFFFAOYSA-N 1 0 263.297 2.019 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329029 346822131 /nfs/dbraw/zinc/82/21/31/346822131.db2.gz DIKCFQMLNDKCMQ-WCFLWFBJSA-N 1 0 261.325 2.092 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125368297 187182136 /nfs/dbraw/zinc/18/21/36/187182136.db2.gz KTVQUBDJRUKSJA-RBZYPMLTSA-N 1 0 296.754 2.451 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000449194866 282138177 /nfs/dbraw/zinc/13/81/77/282138177.db2.gz PRLSVXLKNGCBFQ-CYBMUJFWSA-N 1 0 266.345 2.350 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721141 361852255 /nfs/dbraw/zinc/85/22/55/361852255.db2.gz LQSJEGWTTKKUMC-AAEUAGOBSA-N 1 0 252.314 2.406 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794624 361859727 /nfs/dbraw/zinc/85/97/27/361859727.db2.gz GYCHDOQNXMVWCJ-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449232675 282151128 /nfs/dbraw/zinc/15/11/28/282151128.db2.gz ISXOGSSTHUUBMK-SRVKXCTJSA-N 1 0 266.341 2.275 20 5 CEBDRO C[C@H](NC(=O)C1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766590 361932560 /nfs/dbraw/zinc/93/25/60/361932560.db2.gz PCBZHLCJZBBESR-JTQLQIEISA-N 1 0 277.324 2.044 20 5 CEBDRO C[C@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000037775635 361935850 /nfs/dbraw/zinc/93/58/50/361935850.db2.gz ODSIHZOWZIWRGQ-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449308234 282181845 /nfs/dbraw/zinc/18/18/45/282181845.db2.gz VORSCVXSVDFTSY-LLVKDONJSA-N 1 0 293.367 2.334 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCN2CCCCC2)c1 ZINC000042314589 362082386 /nfs/dbraw/zinc/08/23/86/362082386.db2.gz DXNHMXLCTPYDPV-UHFFFAOYSA-N 1 0 263.341 2.170 20 5 CEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449458326 282245071 /nfs/dbraw/zinc/24/50/71/282245071.db2.gz JAGLTEWXLJZUDS-UKRRQHHQSA-N 1 0 294.351 2.044 20 5 CEBDRO COc1ccc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493511 282257453 /nfs/dbraw/zinc/25/74/53/282257453.db2.gz DZWXRSDMCNWCNS-RISCZKNCSA-N 1 0 294.351 2.460 20 5 CEBDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766528 343431063 /nfs/dbraw/zinc/43/10/63/343431063.db2.gz APXYSQTXUNTTLE-GXFFZTMASA-N 1 0 279.340 2.145 20 5 CEBDRO CC[N@H+](CC(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000042185586 343448671 /nfs/dbraw/zinc/44/86/71/343448671.db2.gz IDSNQRGBASEZON-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294991129 199288177 /nfs/dbraw/zinc/28/81/77/199288177.db2.gz HMYBLMNIPCTKIF-SKDRFNHKSA-N 1 0 284.743 2.499 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000601969788 346945875 /nfs/dbraw/zinc/94/58/75/346945875.db2.gz FLMACCMIUDTMRR-ZDUSSCGKSA-N 1 0 277.368 2.463 20 5 CEBDRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000047339093 343513992 /nfs/dbraw/zinc/51/39/92/343513992.db2.gz STPDKQDSYWMWKT-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO Cc1c(C(=O)NCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000046855243 343504619 /nfs/dbraw/zinc/50/46/19/343504619.db2.gz VSBDHOJNQKZDQH-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO CC(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000058851274 343648923 /nfs/dbraw/zinc/64/89/23/343648923.db2.gz LTDUGHSZSVYQDS-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602021639 346962544 /nfs/dbraw/zinc/96/25/44/346962544.db2.gz QTWHQBPGSJMPBX-VDKLAZJHSA-N 1 0 273.336 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000602018301 346961356 /nfs/dbraw/zinc/96/13/56/346961356.db2.gz YMVIJKDIQHAQGJ-UHFFFAOYSA-N 1 0 287.363 2.311 20 5 CEBDRO C[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068045516 343752691 /nfs/dbraw/zinc/75/26/91/343752691.db2.gz OKYYUALTHSOOPH-UHFFFAOYSA-N 1 0 269.732 2.390 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449603633 282301453 /nfs/dbraw/zinc/30/14/53/282301453.db2.gz RDZUKOHKCLXGLQ-VXGBXAGGSA-N 1 0 293.367 2.030 20 5 CEBDRO CC1(C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076014248 343876164 /nfs/dbraw/zinc/87/61/64/343876164.db2.gz IHWLQINQSUFYJU-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000081788112 344065102 /nfs/dbraw/zinc/06/51/02/344065102.db2.gz GEEPRVHYAVULBV-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049096448 362338600 /nfs/dbraw/zinc/33/86/00/362338600.db2.gz ZQWHVPRXIQKNGH-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927358 344131887 /nfs/dbraw/zinc/13/18/87/344131887.db2.gz VMGHSXCBCIWFJI-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413100 344139693 /nfs/dbraw/zinc/13/96/93/344139693.db2.gz BEXRFFFGRZYEID-FZMZJTMJSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144069 344215185 /nfs/dbraw/zinc/21/51/85/344215185.db2.gz ZQLNKMRHECJKRV-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO Cc1cc(N(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000092649981 344197515 /nfs/dbraw/zinc/19/75/15/344197515.db2.gz PGHGJDWGMXVOQI-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602454620 347040470 /nfs/dbraw/zinc/04/04/70/347040470.db2.gz OKNNDTHRJKIWHH-PWSUYJOCSA-N 1 0 264.329 2.093 20 5 CEBDRO C[C@@H](CO)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121624510 344303916 /nfs/dbraw/zinc/30/39/16/344303916.db2.gz SBNIMAAFKADCLF-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1cc(OCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122501818 344306465 /nfs/dbraw/zinc/30/64/65/344306465.db2.gz PLXSNDMLSXUSBX-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122585467 344307060 /nfs/dbraw/zinc/30/70/60/344307060.db2.gz GKEKLTZWYHFJLI-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134430598 344374182 /nfs/dbraw/zinc/37/41/82/344374182.db2.gz BEFUSMPUDSSVHF-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852753 344409777 /nfs/dbraw/zinc/40/97/77/344409777.db2.gz BOWVGZMQELWCOX-CYBMUJFWSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050015582 362390258 /nfs/dbraw/zinc/39/02/58/362390258.db2.gz CUHXWXGFEJIYKH-DYEKYZERSA-N 1 0 277.368 2.413 20 5 CEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415297919 529983992 /nfs/dbraw/zinc/98/39/92/529983992.db2.gz OUQLZLUGBUPMBK-SECBINFHSA-N 1 0 294.355 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)C2CCCC2)cc1 ZINC000050107054 362401657 /nfs/dbraw/zinc/40/16/57/362401657.db2.gz FFNSCHRREKWCKM-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000211108502 344531533 /nfs/dbraw/zinc/53/15/33/344531533.db2.gz CADXFFPPWORCBO-JTQLQIEISA-N 1 0 250.298 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCSC2)cc1 ZINC000222021246 344539836 /nfs/dbraw/zinc/53/98/36/344539836.db2.gz WHEVAVCMRZWILC-JTQLQIEISA-N 1 0 268.338 2.069 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCC(O)CC1 ZINC000227651386 344556114 /nfs/dbraw/zinc/55/61/14/344556114.db2.gz BLAFVEBASKPQGN-UHFFFAOYSA-N 1 0 264.325 2.236 20 5 CEBDRO CC[C@@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926703 344569815 /nfs/dbraw/zinc/56/98/15/344569815.db2.gz PWEQQGCUXVUSKO-MRVPVSSYSA-N 1 0 281.703 2.239 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000449738801 282347428 /nfs/dbraw/zinc/34/74/28/282347428.db2.gz FSZSXWMIVGZOLO-ABAIWWIYSA-N 1 0 278.352 2.276 20 5 CEBDRO COCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512531 347062494 /nfs/dbraw/zinc/06/24/94/347062494.db2.gz BWWMYSSBWXTUJL-UHFFFAOYSA-N 1 0 279.296 2.252 20 5 CEBDRO C[C@@H](NCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000311950934 344736749 /nfs/dbraw/zinc/73/67/49/344736749.db2.gz LMGAPDVPAREUQF-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO C[C@H](CC[NH+](C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532147 347068909 /nfs/dbraw/zinc/06/89/09/347068909.db2.gz IPEAZOXEVPBHHI-SNVBAGLBSA-N 1 0 292.339 2.166 20 5 CEBDRO CCN(CC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000305922659 344711373 /nfs/dbraw/zinc/71/13/73/344711373.db2.gz BXYHSKNHMQJCQH-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000093873274 282365128 /nfs/dbraw/zinc/36/51/28/282365128.db2.gz UHJLLHUZVHBLTH-BQYQJAHWSA-N 1 0 291.351 2.051 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590403181 345133750 /nfs/dbraw/zinc/13/37/50/345133750.db2.gz JAOSAZSXCJQLJQ-SMDDNHRTSA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000590646742 345155234 /nfs/dbraw/zinc/15/52/34/345155234.db2.gz CQFOPHUMFWLVFH-BJHJDKERSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591144274 345224290 /nfs/dbraw/zinc/22/42/90/345224290.db2.gz FCCBWDAPAQHDKB-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148364 345224989 /nfs/dbraw/zinc/22/49/89/345224989.db2.gz AQYHPTQMZXHYCY-LLVKDONJSA-N 1 0 296.346 2.297 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CCC2(CC[NH2+]C2)CC1 ZINC000591442481 345255723 /nfs/dbraw/zinc/25/57/23/345255723.db2.gz PSMDHXIOCXAAPT-UHFFFAOYSA-N 1 0 279.315 2.314 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591270343 345236433 /nfs/dbraw/zinc/23/64/33/345236433.db2.gz VYEWDFKEMPZSAH-LBPRGKRZSA-N 1 0 292.339 2.167 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591447816 345257265 /nfs/dbraw/zinc/25/72/65/345257265.db2.gz AFRPJZWGTKEJGJ-TYNCELHUSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000591431614 345252464 /nfs/dbraw/zinc/25/24/64/345252464.db2.gz RLRXRGAOHHDKMX-CYBMUJFWSA-N 1 0 294.330 2.097 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000591440892 345255191 /nfs/dbraw/zinc/25/51/91/345255191.db2.gz XRFYRNDVHLPWLP-OAHLLOKOSA-N 1 0 275.352 2.483 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccsc1[N+](=O)[O-] ZINC000591464228 345259626 /nfs/dbraw/zinc/25/96/26/345259626.db2.gz RKEOJDXRGBDCFB-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(CO)cc2)c1 ZINC000602579131 347086213 /nfs/dbraw/zinc/08/62/13/347086213.db2.gz AJAVJKRXDQZPDD-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO O=[N+]([O-])c1cc(CN(C2CC2)C2CC[NH2+]CC2)cs1 ZINC000592424419 345351923 /nfs/dbraw/zinc/35/19/23/345351923.db2.gz QDGRTMNDIZBXCC-UHFFFAOYSA-N 1 0 281.381 2.373 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593044388 345427641 /nfs/dbraw/zinc/42/76/41/345427641.db2.gz GUJOUQWNXLAOIX-UHFFFAOYSA-N 1 0 276.336 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CCF ZINC000593718623 345526598 /nfs/dbraw/zinc/52/65/98/345526598.db2.gz NLGSQIMGMCNMMK-GHMZBOCLSA-N 1 0 270.304 2.274 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000594064176 345577035 /nfs/dbraw/zinc/57/70/35/345577035.db2.gz LCLXROZGLVYLPE-NSHDSACASA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594424346 345625159 /nfs/dbraw/zinc/62/51/59/345625159.db2.gz BFSFPMAXYBPCJK-ABAIWWIYSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000059035279 362645936 /nfs/dbraw/zinc/64/59/36/362645936.db2.gz NMNHGCLMBWICFW-JTQLQIEISA-N 1 0 265.288 2.383 20 5 CEBDRO CC[C@H](C)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594717933 345677817 /nfs/dbraw/zinc/67/78/17/345677817.db2.gz IGDKPMYZRVDKJI-JSGCOSHPSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C\CO ZINC000595074884 345739986 /nfs/dbraw/zinc/73/99/86/345739986.db2.gz XKOHQMUJPACPKL-DLRQAJBASA-N 1 0 250.298 2.102 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000595105061 345742620 /nfs/dbraw/zinc/74/26/20/345742620.db2.gz WMBGHRUXPYJYLH-IHRRRGAJSA-N 1 0 276.336 2.029 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000595103298 345742955 /nfs/dbraw/zinc/74/29/55/345742955.db2.gz KZGXDAIJCKPBCZ-MXAVVETBSA-N 1 0 290.363 2.419 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@]1(C)OC ZINC000595104996 345743007 /nfs/dbraw/zinc/74/30/07/345743007.db2.gz COUCEXBSQHOAGT-FZZIBODNSA-N 1 0 280.324 2.431 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C/CO ZINC000594974227 345720252 /nfs/dbraw/zinc/72/02/52/345720252.db2.gz ITHQZDZLRCXCFX-LDEIZCIFSA-N 1 0 262.309 2.136 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988541 345722861 /nfs/dbraw/zinc/72/28/61/345722861.db2.gz QJFAFSGEMYGUDV-KBPBESRZSA-N 1 0 276.336 2.296 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CO ZINC000595021008 345728673 /nfs/dbraw/zinc/72/86/73/345728673.db2.gz BULPLUJOXROVMC-JTQLQIEISA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000595039639 345733109 /nfs/dbraw/zinc/73/31/09/345733109.db2.gz UPDZHLAOHRUHAL-RYUDHWBXSA-N 1 0 295.383 2.452 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C/C=C/CO ZINC000595065410 345738202 /nfs/dbraw/zinc/73/82/02/345738202.db2.gz AYIPZXKXGKEXDN-MXKYZYEVSA-N 1 0 290.363 2.444 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595347253 345766381 /nfs/dbraw/zinc/76/63/81/345766381.db2.gz PESDCWZFCYEFEN-JQWIXIFHSA-N 1 0 296.371 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC=CC3)C2)nc1 ZINC000595370877 345769941 /nfs/dbraw/zinc/76/99/41/345769941.db2.gz KSFKCIHNHMKTMS-CYBMUJFWSA-N 1 0 288.351 2.442 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000595407146 345775436 /nfs/dbraw/zinc/77/54/36/345775436.db2.gz HYTBEXRJQJIEFS-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595413072 345776776 /nfs/dbraw/zinc/77/67/76/345776776.db2.gz VKLQKOPPUMCLLT-JTQLQIEISA-N 1 0 251.286 2.123 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456514 345787408 /nfs/dbraw/zinc/78/74/08/345787408.db2.gz YZPLZQRVHLSCAX-TVQRCGJNSA-N 1 0 268.288 2.391 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456513 345787458 /nfs/dbraw/zinc/78/74/58/345787458.db2.gz YZPLZQRVHLSCAX-RNCFNFMXSA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595515586 345801505 /nfs/dbraw/zinc/80/15/05/345801505.db2.gz YRJDOKNFJSGTBU-TUAOUCFPSA-N 1 0 295.339 2.017 20 5 CEBDRO CO[C@@H]1C[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595520713 345802615 /nfs/dbraw/zinc/80/26/15/345802615.db2.gz SPDOCBQKFBBSPM-NWDGAFQWSA-N 1 0 295.339 2.281 20 5 CEBDRO Cc1c(C[NH2+][C@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595615483 345828311 /nfs/dbraw/zinc/82/83/11/345828311.db2.gz HJRVILJXEBYVRO-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000595838262 345893704 /nfs/dbraw/zinc/89/37/04/345893704.db2.gz UJGVQCZVIQDTEF-CYBMUJFWSA-N 1 0 278.356 2.303 20 5 CEBDRO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748824 345865018 /nfs/dbraw/zinc/86/50/18/345865018.db2.gz IBMDJLPBOPLPON-GHMZBOCLSA-N 1 0 264.325 2.044 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595805987 345879607 /nfs/dbraw/zinc/87/96/07/345879607.db2.gz CLXHDGNRIJXPMG-VXGBXAGGSA-N 1 0 262.309 2.315 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595861402 345900277 /nfs/dbraw/zinc/90/02/77/345900277.db2.gz VLMAQBSCARUCLN-HZMBPMFUSA-N 1 0 282.315 2.184 20 5 CEBDRO CC12CC(C1)C[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595915035 345912584 /nfs/dbraw/zinc/91/25/84/345912584.db2.gz IEAYYBBPDXWAPL-UHFFFAOYSA-N 1 0 262.309 2.458 20 5 CEBDRO Cc1c(C(=O)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000595951226 345917284 /nfs/dbraw/zinc/91/72/84/345917284.db2.gz ODEGZONDFARONU-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000595982693 345920663 /nfs/dbraw/zinc/92/06/63/345920663.db2.gz LWJURDOQEUZMFD-MRVPVSSYSA-N 1 0 293.348 2.147 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000596305884 345994976 /nfs/dbraw/zinc/99/49/76/345994976.db2.gz BYODMMGUHZMOHB-VIFPVBQESA-N 1 0 284.385 2.006 20 5 CEBDRO Cc1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307415 345995382 /nfs/dbraw/zinc/99/53/82/345995382.db2.gz MUNKMRALLCSDAC-LBPRGKRZSA-N 1 0 292.383 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000596553405 346053222 /nfs/dbraw/zinc/05/32/22/346053222.db2.gz RWXVOKQGXYTARG-AWEZNQCLSA-N 1 0 298.346 2.098 20 5 CEBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596453697 346027835 /nfs/dbraw/zinc/02/78/35/346027835.db2.gz LYNCYYRBQNZYJG-JTQLQIEISA-N 1 0 280.328 2.057 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597047273 346120182 /nfs/dbraw/zinc/12/01/82/346120182.db2.gz PWUCLEQAWXCITA-GXTWGEPZSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597052420 346120689 /nfs/dbraw/zinc/12/06/89/346120689.db2.gz BTWCEEVRFCUNPO-SWLSCSKDSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597061061 346122918 /nfs/dbraw/zinc/12/29/18/346122918.db2.gz JFCVJNLIXQYKHU-UKRRQHHQSA-N 1 0 276.336 2.294 20 5 CEBDRO COCCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000597183581 346143592 /nfs/dbraw/zinc/14/35/92/346143592.db2.gz MECHDQXUVUZZHV-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@@H](C)O)CC1 ZINC000597235058 346157654 /nfs/dbraw/zinc/15/76/54/346157654.db2.gz SNQXLIHHLUTJTO-VXGBXAGGSA-N 1 0 278.352 2.419 20 5 CEBDRO CCOC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602585974 347089231 /nfs/dbraw/zinc/08/92/31/347089231.db2.gz LVFDLRKQWQEIRX-UHFFFAOYSA-N 1 0 264.325 2.500 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597854370 346238053 /nfs/dbraw/zinc/23/80/53/346238053.db2.gz GTRCKJLOSBSIIV-SNVBAGLBSA-N 1 0 295.339 2.038 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597926113 346254753 /nfs/dbraw/zinc/25/47/53/346254753.db2.gz VSTIELJGGFIJSY-SNVBAGLBSA-N 1 0 297.380 2.259 20 5 CEBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000062070271 362703546 /nfs/dbraw/zinc/70/35/46/362703546.db2.gz LLCGGRQGSBJQFR-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676751 346399005 /nfs/dbraw/zinc/39/90/05/346399005.db2.gz KEFWSCZSXZKNTM-RISCZKNCSA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598719191 346407320 /nfs/dbraw/zinc/40/73/20/346407320.db2.gz LWDKAGRQGUKSHS-ZFWWWQNUSA-N 1 0 275.352 2.216 20 5 CEBDRO C/C=C\C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599006363 346445384 /nfs/dbraw/zinc/44/53/84/346445384.db2.gz VZCOLWQNSDFWEH-IHWYPQMZSA-N 1 0 264.281 2.032 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCc3[nH+]ccc(N)c3C2)c1 ZINC000598941510 346435076 /nfs/dbraw/zinc/43/50/76/346435076.db2.gz FKNMTPHLMKLVRJ-UHFFFAOYSA-N 1 0 284.319 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)CCC2 ZINC000599083505 346457253 /nfs/dbraw/zinc/45/72/53/346457253.db2.gz XYSJWRPDEDJJRK-RIEGTJTDSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000602600198 347094710 /nfs/dbraw/zinc/09/47/10/347094710.db2.gz NJHMIRXNTGSIHF-WXHSDQCUSA-N 1 0 278.356 2.339 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571747 346540670 /nfs/dbraw/zinc/54/06/70/346540670.db2.gz UEKQJAOICCGTAE-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599593963 346543879 /nfs/dbraw/zinc/54/38/79/346543879.db2.gz IDLLYEQFDPQETQ-KOLCDFICSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000599624002 346547828 /nfs/dbraw/zinc/54/78/28/346547828.db2.gz JCBALUGGYIXMRZ-OHTBPHCPSA-N 1 0 294.351 2.375 20 5 CEBDRO Cc1c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600747825 346683776 /nfs/dbraw/zinc/68/37/76/346683776.db2.gz LRCPTPUKDXKJSA-IYBDPMFKSA-N 1 0 289.379 2.335 20 5 CEBDRO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000601169605 346775780 /nfs/dbraw/zinc/77/57/80/346775780.db2.gz DLXKHGSYLFMZEI-JTQLQIEISA-N 1 0 294.330 2.049 20 5 CEBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601217055 346792458 /nfs/dbraw/zinc/79/24/58/346792458.db2.gz VTYTWVJILALJPX-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129458119 365860225 /nfs/dbraw/zinc/86/02/25/365860225.db2.gz KYCOSMJJPNLPRQ-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1cnc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602687251 347147079 /nfs/dbraw/zinc/14/70/79/347147079.db2.gz IXJUKGUIIRRZGJ-UHFFFAOYSA-N 1 0 286.335 2.068 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689541 347147900 /nfs/dbraw/zinc/14/79/00/347147900.db2.gz FGCICKCWNXRFDS-KOLCDFICSA-N 1 0 291.307 2.393 20 5 CEBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602818772 347212349 /nfs/dbraw/zinc/21/23/49/347212349.db2.gz WVUCNRPUMJENST-VIFPVBQESA-N 1 0 294.277 2.395 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000602787517 347197928 /nfs/dbraw/zinc/19/79/28/347197928.db2.gz ZCVDMDDYDWPRBJ-QWRGUYRKSA-N 1 0 266.345 2.220 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802049 347204760 /nfs/dbraw/zinc/20/47/60/347204760.db2.gz OLDDZYCZLJZUAU-ZWNOBZJWSA-N 1 0 287.323 2.024 20 5 CEBDRO CCSCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733901 347177395 /nfs/dbraw/zinc/17/73/95/347177395.db2.gz XIDRRNAGQBZAQC-ZDUSSCGKSA-N 1 0 284.381 2.145 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602733939 347177584 /nfs/dbraw/zinc/17/75/84/347177584.db2.gz GLWJVFOAGZQBOG-FXPVBKGRSA-N 1 0 291.307 2.392 20 5 CEBDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602760404 347187125 /nfs/dbraw/zinc/18/71/25/347187125.db2.gz SSIFYDFOFOMEGM-NWDGAFQWSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000602764270 347188772 /nfs/dbraw/zinc/18/87/72/347188772.db2.gz VTIWKFBLYGMUPO-SNVBAGLBSA-N 1 0 278.356 2.363 20 5 CEBDRO Cc1cc(NC(=O)NCC2([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000602928086 347249792 /nfs/dbraw/zinc/24/97/92/347249792.db2.gz XDBNEEBRGCOMBO-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO Cn1cc(CN2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])n1 ZINC000602826709 347215487 /nfs/dbraw/zinc/21/54/87/347215487.db2.gz IWGBHTBOOLBCJD-UHFFFAOYSA-N 1 0 299.334 2.013 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220315 347312443 /nfs/dbraw/zinc/31/24/43/347312443.db2.gz SRCZIOMBZYUQIL-VHSXEESVSA-N 1 0 275.312 2.076 20 5 CEBDRO Cc1cc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000603419376 347365876 /nfs/dbraw/zinc/36/58/76/347365876.db2.gz NBFBALPXYUOKDW-QMMMGPOBSA-N 1 0 273.383 2.082 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609508346 347641462 /nfs/dbraw/zinc/64/14/62/347641462.db2.gz QMNZARNCUQDXMF-VIFPVBQESA-N 1 0 255.343 2.187 20 5 CEBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000609583501 347645382 /nfs/dbraw/zinc/64/53/82/347645382.db2.gz MJCLDXBZVXDOAL-LLVKDONJSA-N 1 0 291.351 2.055 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000610390218 347678001 /nfs/dbraw/zinc/67/80/01/347678001.db2.gz LFEGCUHHWXILMN-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420509 347680013 /nfs/dbraw/zinc/68/00/13/347680013.db2.gz CWRXTCOJSQNTEL-STQMWFEESA-N 1 0 294.351 2.299 20 5 CEBDRO CC[N@@H+]1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084505 347737469 /nfs/dbraw/zinc/73/74/69/347737469.db2.gz BWZMKAMUKFXCSI-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC(C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253930 347759295 /nfs/dbraw/zinc/75/92/95/347759295.db2.gz YZXGBUJWAUVZPC-UHFFFAOYSA-N 1 0 280.324 2.454 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467289 179296983 /nfs/dbraw/zinc/29/69/83/179296983.db2.gz ZHIJXTVRWOMMDA-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000450357786 282570922 /nfs/dbraw/zinc/57/09/22/282570922.db2.gz NQSAYJCEYZHNDC-ZDUSSCGKSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1c(C[NH2+]CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000087028860 179382515 /nfs/dbraw/zinc/38/25/15/179382515.db2.gz LRQZAQVGOMODOF-UHFFFAOYSA-N 1 0 264.325 2.298 20 5 CEBDRO C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000619651986 349209708 /nfs/dbraw/zinc/20/97/08/349209708.db2.gz YPLJTFFHRTYSDY-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823354 349238271 /nfs/dbraw/zinc/23/82/71/349238271.db2.gz WDUKSQFVTLKCCC-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619567079 349199893 /nfs/dbraw/zinc/19/98/93/349199893.db2.gz MTYVEPNPEXNLOS-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825125 539731241 /nfs/dbraw/zinc/73/12/41/539731241.db2.gz AHYOZPFHQURLRZ-GWCFXTLKSA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692234 180024459 /nfs/dbraw/zinc/02/44/59/180024459.db2.gz LUGUKOORRSGPOJ-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@H](CF)C2)cc1 ZINC000411866049 233294478 /nfs/dbraw/zinc/29/44/78/233294478.db2.gz WYIOJFCVPFPLTL-CQSZACIVSA-N 1 0 282.315 2.198 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091672583 180224105 /nfs/dbraw/zinc/22/41/05/180224105.db2.gz AODNJKHTYOVYTB-ZIAGYGMSSA-N 1 0 291.351 2.178 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339710137 215309818 /nfs/dbraw/zinc/30/98/18/215309818.db2.gz FZGNHHPEGIDVFP-GHMZBOCLSA-N 1 0 278.356 2.339 20 5 CEBDRO CC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352183135 219348108 /nfs/dbraw/zinc/34/81/08/219348108.db2.gz AAJRFHCPFWSGGF-LLVKDONJSA-N 1 0 269.276 2.013 20 5 CEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000106904344 186148099 /nfs/dbraw/zinc/14/80/99/186148099.db2.gz ZMGVYCPVKXQPPA-UHFFFAOYSA-N 1 0 277.324 2.068 20 5 CEBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204396 219359793 /nfs/dbraw/zinc/35/97/93/219359793.db2.gz XPUPIDHHLKBVAB-GHMZBOCLSA-N 1 0 252.314 2.359 20 5 CEBDRO C[N@H+](CC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109131039 186243946 /nfs/dbraw/zinc/24/39/46/186243946.db2.gz QNQJIDDTJHBYPT-AWEZNQCLSA-N 1 0 289.335 2.042 20 5 CEBDRO COc1cc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000111052069 186348519 /nfs/dbraw/zinc/34/85/19/186348519.db2.gz QXXAANFTKGNMLQ-NSHDSACASA-N 1 0 279.340 2.405 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070173366 363047356 /nfs/dbraw/zinc/04/73/56/363047356.db2.gz UQHQCZWGTZNFAV-WDEREUQCSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000070361299 363075697 /nfs/dbraw/zinc/07/56/97/363075697.db2.gz NBWRCBNZNSHSIU-CMPLNLGQSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131200906 366029017 /nfs/dbraw/zinc/02/90/17/366029017.db2.gz MJEKYZMSVIYCCA-DGCLKSJQSA-N 1 0 250.298 2.424 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123192684 187076636 /nfs/dbraw/zinc/07/66/36/187076636.db2.gz SXTOKOMDMVRIAS-IUODEOHRSA-N 1 0 294.351 2.359 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123243616 187080337 /nfs/dbraw/zinc/08/03/37/187080337.db2.gz PGPHMGWGCAOAMX-RYUDHWBXSA-N 1 0 291.351 2.430 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131683790 187580478 /nfs/dbraw/zinc/58/04/78/187580478.db2.gz CMHADWLTEWOQKY-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CC(C)=CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665251 363155353 /nfs/dbraw/zinc/15/53/53/363155353.db2.gz VBLFNVPMFYQJFQ-GFCCVEGCSA-N 1 0 276.340 2.442 20 5 CEBDRO CN(C(=O)C[N@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000072721946 363162954 /nfs/dbraw/zinc/16/29/54/363162954.db2.gz IRKPXSOXYIATTH-UHFFFAOYSA-N 1 0 277.324 2.042 20 5 CEBDRO Cc1c(C[N@@H+](C)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000292164536 198187800 /nfs/dbraw/zinc/18/78/00/198187800.db2.gz OWLPTGHJKOFXCH-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000151701401 187974218 /nfs/dbraw/zinc/97/42/18/187974218.db2.gz LBFIYXQVOMRZCE-SWLSCSKDSA-N 1 0 294.351 2.441 20 5 CEBDRO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152886259 188050723 /nfs/dbraw/zinc/05/07/23/188050723.db2.gz NFBJUHWUXVLBRO-RYUDHWBXSA-N 1 0 289.335 2.265 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000155149448 188186961 /nfs/dbraw/zinc/18/69/61/188186961.db2.gz LRRHTBLXLVWZOD-ONGXEEELSA-N 1 0 268.288 2.249 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)c1 ZINC000155812730 188228711 /nfs/dbraw/zinc/22/87/11/188228711.db2.gz VMLHLDXOIKRRDO-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132071485 366115570 /nfs/dbraw/zinc/11/55/70/366115570.db2.gz PHUCAFVHMZNWKI-LBPRGKRZSA-N 1 0 250.298 2.124 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488705 283007247 /nfs/dbraw/zinc/00/72/47/283007247.db2.gz GOJAETCUZAOQRD-UONOGXRCSA-N 1 0 294.351 2.377 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488706 283007275 /nfs/dbraw/zinc/00/72/75/283007275.db2.gz GOJAETCUZAOQRD-ZIAGYGMSSA-N 1 0 294.351 2.377 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000340307400 215532587 /nfs/dbraw/zinc/53/25/87/215532587.db2.gz ZAOWHJFLZWPYKD-CYBMUJFWSA-N 1 0 278.356 2.494 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272232350 283079040 /nfs/dbraw/zinc/07/90/40/283079040.db2.gz UXKDWTZPLPQWPA-SKDRFNHKSA-N 1 0 296.758 2.174 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569929360 299227240 /nfs/dbraw/zinc/22/72/40/299227240.db2.gz PRBQDUMVMPGDPN-WDEREUQCSA-N 1 0 293.367 2.376 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000174147904 188884239 /nfs/dbraw/zinc/88/42/39/188884239.db2.gz SMCDLVHXUJDZHY-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO COCCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338348074 366308268 /nfs/dbraw/zinc/30/82/68/366308268.db2.gz CPARXUCORNTRKX-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000312961894 535362361 /nfs/dbraw/zinc/36/23/61/535362361.db2.gz AZFKCNCERXSTRA-LBPRGKRZSA-N 1 0 250.298 2.109 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414658622 236434849 /nfs/dbraw/zinc/43/48/49/236434849.db2.gz LNHMTKCTPTUDLM-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1c(NC(=O)NCC[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414698213 236449660 /nfs/dbraw/zinc/44/96/60/236449660.db2.gz ISKJHZSRQJKGRO-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135128027 366399506 /nfs/dbraw/zinc/39/95/06/366399506.db2.gz BBMLLPLEIGWQBG-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000294829745 199201490 /nfs/dbraw/zinc/20/14/90/199201490.db2.gz PULXIKROMXDICN-UHFFFAOYSA-N 1 0 252.314 2.045 20 5 CEBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135203937 366408688 /nfs/dbraw/zinc/40/86/88/366408688.db2.gz ZEUKLMHNXDNVEU-PSASIEDQSA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000135204461 366408834 /nfs/dbraw/zinc/40/88/34/366408834.db2.gz NRSYDGWZRAQUFK-JQWIXIFHSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577953642 366420396 /nfs/dbraw/zinc/42/03/96/366420396.db2.gz FESXSBQNOKFZLT-BDAKNGLRSA-N 1 0 291.307 2.197 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463188 366442063 /nfs/dbraw/zinc/44/20/63/366442063.db2.gz QGBPIXAGUOLSJH-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469211 366444469 /nfs/dbraw/zinc/44/44/69/366444469.db2.gz RRGOZTQRBFMJRR-ZYHUDNBSSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1nn(C[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000578186348 366455829 /nfs/dbraw/zinc/45/58/29/366455829.db2.gz HETIBDDOFYBCLJ-HAQNSBGRSA-N 1 0 266.345 2.173 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C[NH+](C)C)C1 ZINC000338688082 366469572 /nfs/dbraw/zinc/46/95/72/366469572.db2.gz AAXPFXGRPBHLKH-GFCCVEGCSA-N 1 0 291.351 2.185 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000338687373 366469788 /nfs/dbraw/zinc/46/97/88/366469788.db2.gz INGYLXMQRXELKX-JQWIXIFHSA-N 1 0 279.340 2.498 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136166845 366500631 /nfs/dbraw/zinc/50/06/31/366500631.db2.gz VIMODLKNBRYHDJ-HNNXBMFYSA-N 1 0 291.351 2.085 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000136300513 366507633 /nfs/dbraw/zinc/50/76/33/366507633.db2.gz BTDYEVPFWZLDSZ-JTQLQIEISA-N 1 0 295.339 2.134 20 5 CEBDRO COc1cccc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338784993 366522308 /nfs/dbraw/zinc/52/23/08/366522308.db2.gz BCEULRWADWMWPH-QWRGUYRKSA-N 1 0 279.340 2.132 20 5 CEBDRO CC[C@H](COC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000079713263 363624269 /nfs/dbraw/zinc/62/42/69/363624269.db2.gz TVAQWCCCPDEJHE-GFCCVEGCSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)O1 ZINC000296842924 200013102 /nfs/dbraw/zinc/01/31/02/200013102.db2.gz OIJVAOBCXSLYKY-PTRXPTGYSA-N 1 0 290.323 2.127 20 5 CEBDRO CC[NH+](CC)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000141207653 366564218 /nfs/dbraw/zinc/56/42/18/366564218.db2.gz FWESHBAITDCNNA-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCN1CCC1 ZINC000571224587 299300522 /nfs/dbraw/zinc/30/05/22/299300522.db2.gz CSDXJIIKFFYRJT-UHFFFAOYSA-N 1 0 263.341 2.089 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236968391 370668439 /nfs/dbraw/zinc/66/84/39/370668439.db2.gz URAZYYLNYWZBGL-UDZFHETQSA-N 1 0 293.367 2.454 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571523800 299314032 /nfs/dbraw/zinc/31/40/32/299314032.db2.gz OSBQTFXPGSGMHD-WDEREUQCSA-N 1 0 294.355 2.459 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539715 189200859 /nfs/dbraw/zinc/20/08/59/189200859.db2.gz KJYDVUNCGFULKT-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)C(C)C ZINC000342206811 216260554 /nfs/dbraw/zinc/26/05/54/216260554.db2.gz JTTCGGAMUNHYMS-CYBMUJFWSA-N 1 0 296.367 2.348 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000179867436 189224868 /nfs/dbraw/zinc/22/48/68/189224868.db2.gz OXCJFDFCVFARFW-LBPRGKRZSA-N 1 0 294.351 2.378 20 5 CEBDRO CC(C)[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000180451344 189255967 /nfs/dbraw/zinc/25/59/67/189255967.db2.gz HSLPSXXPWVEZBF-UHFFFAOYSA-N 1 0 279.340 2.313 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153912916 366743538 /nfs/dbraw/zinc/74/35/38/366743538.db2.gz XNLIAYUBWNRMFP-ONGXEEELSA-N 1 0 298.774 2.420 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000181872724 189308950 /nfs/dbraw/zinc/30/89/50/189308950.db2.gz XYEGNXDNRGCFIM-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO CC1CC[NH+](C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301528810 201049344 /nfs/dbraw/zinc/04/93/44/201049344.db2.gz IUZSKKYRUJCSCW-HNNXBMFYSA-N 1 0 293.367 2.100 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237094013 370689786 /nfs/dbraw/zinc/68/97/86/370689786.db2.gz URAZYYLNYWZBGL-NURSFMCSSA-N 1 0 293.367 2.454 20 5 CEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340149278 366783974 /nfs/dbraw/zinc/78/39/74/366783974.db2.gz MTKXIWHHTZBUES-ZDUSSCGKSA-N 1 0 292.383 2.478 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000023745323 361603203 /nfs/dbraw/zinc/60/32/03/361603203.db2.gz JJIPHGOVLUSNGS-UHFFFAOYSA-N 1 0 282.300 2.255 20 5 CEBDRO Cn1cc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000084439886 363809389 /nfs/dbraw/zinc/80/93/89/363809389.db2.gz OCHPAJNIDCBUHN-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000088147697 363878736 /nfs/dbraw/zinc/87/87/36/363878736.db2.gz XXJSTQSYZJPBAS-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517642 364059985 /nfs/dbraw/zinc/05/99/85/364059985.db2.gz LNXAVWWYIOSDNV-CHWSQXEVSA-N 1 0 293.367 2.267 20 5 CEBDRO CC(C)[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634017 364205237 /nfs/dbraw/zinc/20/52/37/364205237.db2.gz SRCIPNGDCQAJHD-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000237839652 370754481 /nfs/dbraw/zinc/75/44/81/370754481.db2.gz BNPGZOSZDAFDTR-UHFFFAOYSA-N 1 0 291.351 2.376 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093983204 364244861 /nfs/dbraw/zinc/24/48/61/364244861.db2.gz RBRKXIOHSOEUJJ-QWHCGFSZSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000097436347 364500846 /nfs/dbraw/zinc/50/08/46/364500846.db2.gz GZSANWPXATVLNL-QWRGUYRKSA-N 1 0 252.314 2.264 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000103481485 364659017 /nfs/dbraw/zinc/65/90/17/364659017.db2.gz ZASYTKYAVSCNJS-GFCCVEGCSA-N 1 0 293.342 2.404 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793727 364845297 /nfs/dbraw/zinc/84/52/97/364845297.db2.gz NLQOKHYBXLKJCI-PWSUYJOCSA-N 1 0 250.298 2.424 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112989759 364866224 /nfs/dbraw/zinc/86/62/24/364866224.db2.gz SZRJHPMIFBHXFS-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000217371366 189709540 /nfs/dbraw/zinc/70/95/40/189709540.db2.gz HDKQKACQRJPHNZ-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO C[NH+](C)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000120353881 365412461 /nfs/dbraw/zinc/41/24/61/365412461.db2.gz GMMXMGCDISPNSN-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO CCC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000120924686 365497349 /nfs/dbraw/zinc/49/73/49/365497349.db2.gz MJHSPMYNSLVUQA-GFCCVEGCSA-N 1 0 266.345 2.303 20 5 CEBDRO C[C@@]1(F)C[NH2+]CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000583253156 367022258 /nfs/dbraw/zinc/02/22/58/367022258.db2.gz HWEIBJQLHQLCPG-GFCCVEGCSA-N 1 0 287.722 2.386 20 5 CEBDRO CCC(CC)(CO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000161566191 367097191 /nfs/dbraw/zinc/09/71/91/367097191.db2.gz ZMVOMBAEZKJAKU-UHFFFAOYSA-N 1 0 266.341 2.483 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245534492 370833468 /nfs/dbraw/zinc/83/34/68/370833468.db2.gz VZEMMVNZFXUZJC-NWDGAFQWSA-N 1 0 293.367 2.278 20 5 CEBDRO CC[NH+]1CCC(CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000162727733 367183506 /nfs/dbraw/zinc/18/35/06/367183506.db2.gz GIVNDUHWZGHLDN-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC12CCC[NH+]1CCC2 ZINC000588036890 367189698 /nfs/dbraw/zinc/18/96/98/367189698.db2.gz SPHXUSJOKAUBGK-UHFFFAOYSA-N 1 0 293.371 2.160 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172605165 367786395 /nfs/dbraw/zinc/78/63/95/367786395.db2.gz ZINYUUHTNAKCBK-ONGXEEELSA-N 1 0 297.380 2.069 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343542537 367873881 /nfs/dbraw/zinc/87/38/81/367873881.db2.gz YHDQBHBYSWWNCI-SCZZXKLOSA-N 1 0 297.380 2.177 20 5 CEBDRO COc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343594480 367904756 /nfs/dbraw/zinc/90/47/56/367904756.db2.gz LBNCYNSKDLNHMK-CMPLNLGQSA-N 1 0 279.340 2.498 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176189036 368210008 /nfs/dbraw/zinc/21/00/08/368210008.db2.gz YKGJJZNEKDXKGA-NSHDSACASA-N 1 0 252.318 2.056 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176192528 368210428 /nfs/dbraw/zinc/21/04/28/368210428.db2.gz YQRVVIBNDGLMPE-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222136 368538493 /nfs/dbraw/zinc/53/84/93/368538493.db2.gz XWUOLIPUHICLTO-XQQFMLRXSA-N 1 0 296.367 2.359 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346692065 368774416 /nfs/dbraw/zinc/77/44/16/368774416.db2.gz XNQVOHIPMJHTLK-YPMHNXCESA-N 1 0 292.335 2.287 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185499455 368816302 /nfs/dbraw/zinc/81/63/02/368816302.db2.gz PGKAEPVQNFFGPS-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO COc1cccc(N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000185339993 368790813 /nfs/dbraw/zinc/79/08/13/368790813.db2.gz OSGAXDUOWHKBKN-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000348287299 368985324 /nfs/dbraw/zinc/98/53/24/368985324.db2.gz HNWZIUXVOLPNFC-QWHCGFSZSA-N 1 0 279.384 2.456 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348543103 369079922 /nfs/dbraw/zinc/07/99/22/369079922.db2.gz FSXLXOAMSBEAPH-GXTWGEPZSA-N 1 0 264.325 2.248 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348543105 369080246 /nfs/dbraw/zinc/08/02/46/369080246.db2.gz FSXLXOAMSBEAPH-OCCSQVGLSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000330658912 203088072 /nfs/dbraw/zinc/08/80/72/203088072.db2.gz PIPRZNZFXLSSLT-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO CSC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188101797 369295828 /nfs/dbraw/zinc/29/58/28/369295828.db2.gz NKLXGPVVARSQFY-CYBMUJFWSA-N 1 0 296.392 2.283 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCN2CCCOCC2)c(Cl)c1 ZINC000188492178 369364476 /nfs/dbraw/zinc/36/44/76/369364476.db2.gz XKBMVMTZNXNFLD-UHFFFAOYSA-N 1 0 299.758 2.382 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(Cl)c1 ZINC000188847233 369418038 /nfs/dbraw/zinc/41/80/38/369418038.db2.gz ROQKPGDXDRDZKC-SKDRFNHKSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189633313 369551074 /nfs/dbraw/zinc/55/10/74/369551074.db2.gz DDBKLZYYJBOCCQ-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO C[C@@H]1CSCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190463219 369626768 /nfs/dbraw/zinc/62/67/68/369626768.db2.gz LJOCEQXJKGKKEF-FZMZJTMJSA-N 1 0 296.392 2.313 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000352472521 369746581 /nfs/dbraw/zinc/74/65/81/369746581.db2.gz GFLKUXOUMFUSJH-UHFFFAOYSA-N 1 0 296.327 2.226 20 5 CEBDRO C[N@H+](CCCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276521890 193366135 /nfs/dbraw/zinc/36/61/35/193366135.db2.gz CFHZDPIJOGBPRC-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000352883118 369929497 /nfs/dbraw/zinc/92/94/97/369929497.db2.gz JAICDSKLKPGRMG-GZNWPSJOSA-N 1 0 296.392 2.326 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000195663374 370144633 /nfs/dbraw/zinc/14/46/33/370144633.db2.gz MCZAWCYZQVWXII-WDEREUQCSA-N 1 0 280.324 2.213 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715804 370382566 /nfs/dbraw/zinc/38/25/66/370382566.db2.gz RWPYRSGTSVKYQQ-WCQYABFASA-N 1 0 282.340 2.215 20 5 CEBDRO C[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227960239 370389461 /nfs/dbraw/zinc/38/94/61/370389461.db2.gz WKMNZIUTDWEODA-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230221999 370446747 /nfs/dbraw/zinc/44/67/47/370446747.db2.gz INFFVOMYJNYRMR-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230376378 370458880 /nfs/dbraw/zinc/45/88/80/370458880.db2.gz KLHPNEUYWHTLES-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000277394505 193640763 /nfs/dbraw/zinc/64/07/63/193640763.db2.gz XWPBLKNIQOYMCL-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@H]([NH2+]CCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358343720 371023952 /nfs/dbraw/zinc/02/39/52/371023952.db2.gz UAEXNWOMJHLTLF-AWEZNQCLSA-N 1 0 263.341 2.341 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000358346567 371026615 /nfs/dbraw/zinc/02/66/15/371026615.db2.gz RONZWEMEUSGPIF-GFCCVEGCSA-N 1 0 293.367 2.350 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CC[NH+](C)C)n1 ZINC000359098699 371337137 /nfs/dbraw/zinc/33/71/37/371337137.db2.gz AZPGOFAAYSQWHK-SNVBAGLBSA-N 1 0 266.345 2.359 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252666931 371465242 /nfs/dbraw/zinc/46/52/42/371465242.db2.gz CZCVJKWBGVOHSG-NEPJUHHUSA-N 1 0 281.381 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674035 371466193 /nfs/dbraw/zinc/46/61/93/371466193.db2.gz NZBPTKGHGVTEDE-KGLIPLIRSA-N 1 0 275.352 2.311 20 5 CEBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000254955435 371543336 /nfs/dbraw/zinc/54/33/36/371543336.db2.gz ZWGYJJCMMRSSOJ-VURMDHGXSA-N 1 0 292.335 2.493 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C2CC2)CC1 ZINC000255657283 371595377 /nfs/dbraw/zinc/59/53/77/371595377.db2.gz JWQPQHLGJLPCAV-HYXAFXHYSA-N 1 0 287.363 2.388 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000361040728 371613755 /nfs/dbraw/zinc/61/37/55/371613755.db2.gz ARCYHHKFAJBHFH-MNOVXSKESA-N 1 0 295.387 2.039 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000261705910 371707227 /nfs/dbraw/zinc/70/72/27/371707227.db2.gz ILFOTFVGUVMAHW-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261652635 371692521 /nfs/dbraw/zinc/69/25/21/371692521.db2.gz DLABRQWVNZBFKL-FRRDWIJNSA-N 1 0 275.352 2.197 20 5 CEBDRO Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261929651 371775337 /nfs/dbraw/zinc/77/53/37/371775337.db2.gz LKLSDZYIJRCIAZ-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cncc(F)c1 ZINC000344058790 217031962 /nfs/dbraw/zinc/03/19/62/217031962.db2.gz FOTYXVYDFAQWHG-UHFFFAOYSA-N 1 0 275.283 2.461 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000344116050 217057460 /nfs/dbraw/zinc/05/74/60/217057460.db2.gz AUORZXBMOURGBW-NWDGAFQWSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344126601 217062854 /nfs/dbraw/zinc/06/28/54/217062854.db2.gz IZUJSCHQBBRMRX-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344126602 217063979 /nfs/dbraw/zinc/06/39/79/217063979.db2.gz IZUJSCHQBBRMRX-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344446256 217191913 /nfs/dbraw/zinc/19/19/13/217191913.db2.gz YRDWYRFYYAKELR-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000269748172 372554998 /nfs/dbraw/zinc/55/49/98/372554998.db2.gz ZFWYHNJYIKHUEB-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270063026 372653283 /nfs/dbraw/zinc/65/32/83/372653283.db2.gz HFVKDBPJXZBVIM-MNOVXSKESA-N 1 0 270.354 2.249 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H](C)CO ZINC000270307878 372735731 /nfs/dbraw/zinc/73/57/31/372735731.db2.gz UJNYTJUQTQXBMM-LBPRGKRZSA-N 1 0 296.367 2.492 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000270996138 373055146 /nfs/dbraw/zinc/05/51/46/373055146.db2.gz YMQHOSVVDQBSPE-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505321 299443241 /nfs/dbraw/zinc/44/32/41/299443241.db2.gz DYNPDFRUMSAILV-MFKMUULPSA-N 1 0 264.325 2.333 20 5 CEBDRO CC[N@H+](CCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272363935 373449371 /nfs/dbraw/zinc/44/93/71/373449371.db2.gz SPAOPISKJLDILM-LLVKDONJSA-N 1 0 252.314 2.278 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000272560423 373551288 /nfs/dbraw/zinc/55/12/88/373551288.db2.gz NLGXRFWYKOFCFN-SNVBAGLBSA-N 1 0 289.339 2.223 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000370231700 373612294 /nfs/dbraw/zinc/61/22/94/373612294.db2.gz FNYNYNBNPJJWFH-SWLSCSKDSA-N 1 0 292.335 2.084 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000274376827 373901304 /nfs/dbraw/zinc/90/13/04/373901304.db2.gz RQXURRCMZHCSGJ-UHFFFAOYSA-N 1 0 251.330 2.371 20 5 CEBDRO Nc1c(F)c(NCCCn2ccnc2)ccc1[N+](=O)[O-] ZINC000274629094 373990555 /nfs/dbraw/zinc/99/05/55/373990555.db2.gz BKNYVKRJOIMTME-UHFFFAOYSA-N 1 0 279.275 2.015 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000274802598 374055162 /nfs/dbraw/zinc/05/51/62/374055162.db2.gz KSISJXZYQPOXTQ-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276984185 374368972 /nfs/dbraw/zinc/36/89/72/374368972.db2.gz YTCOSTPTXAYHDR-ZDUSSCGKSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000277299490 374469703 /nfs/dbraw/zinc/46/97/03/374469703.db2.gz CGSAQJHPZMQWJQ-GXFFZTMASA-N 1 0 264.325 2.418 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC000374984149 374639294 /nfs/dbraw/zinc/63/92/94/374639294.db2.gz FOZBLCPXRGZHBF-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO CCC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377481460 374862377 /nfs/dbraw/zinc/86/23/77/374862377.db2.gz KVMIDPAXKCSXFI-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000385756074 375242763 /nfs/dbraw/zinc/24/27/63/375242763.db2.gz WZMDEJSYNAHOKP-UONOGXRCSA-N 1 0 278.352 2.496 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000382458023 375186386 /nfs/dbraw/zinc/18/63/86/375186386.db2.gz LAXXWLQZQIHCJZ-DTWKUNHWSA-N 1 0 270.720 2.325 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072696 375649240 /nfs/dbraw/zinc/64/92/40/375649240.db2.gz KFKBVMLIIFZMQU-CMPLNLGQSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@H]([NH2+]CCCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283870495 375774865 /nfs/dbraw/zinc/77/48/65/375774865.db2.gz BVKPXIOEWBYKLE-NSHDSACASA-N 1 0 289.339 2.114 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283900457 375778512 /nfs/dbraw/zinc/77/85/12/375778512.db2.gz CWPXMZYITQBISR-LLVKDONJSA-N 1 0 286.335 2.465 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414650727 375901050 /nfs/dbraw/zinc/90/10/50/375901050.db2.gz BIHCFQOVZVZENR-AWEZNQCLSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000414658618 375904058 /nfs/dbraw/zinc/90/40/58/375904058.db2.gz LLZBFATWKKBDLG-MNOVXSKESA-N 1 0 292.339 2.152 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1NCCCC[NH+]1CCOCC1 ZINC000286515666 375980493 /nfs/dbraw/zinc/98/04/93/375980493.db2.gz XBHQGJPKVQFUAP-UHFFFAOYSA-N 1 0 297.330 2.258 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000286954684 376112820 /nfs/dbraw/zinc/11/28/20/376112820.db2.gz HNWZIUXVOLPNFC-STQMWFEESA-N 1 0 279.384 2.456 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000287197379 376172181 /nfs/dbraw/zinc/17/21/81/376172181.db2.gz DIIDCSKASABWBZ-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289772055 376493717 /nfs/dbraw/zinc/49/37/17/376493717.db2.gz XQWGKIFBDMYOGJ-TZMCWYRMSA-N 1 0 291.351 2.476 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000289779377 376495944 /nfs/dbraw/zinc/49/59/44/376495944.db2.gz KJFUTIKOVZYRTQ-GFCCVEGCSA-N 1 0 252.314 2.418 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000557572292 376567311 /nfs/dbraw/zinc/56/73/11/376567311.db2.gz OVTBWBZBUMCEBJ-LLVKDONJSA-N 1 0 279.315 2.408 20 5 CEBDRO C[C@@H](C[NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420213800 376620307 /nfs/dbraw/zinc/62/03/07/376620307.db2.gz IAUXLUPCNQSODS-LURJTMIESA-N 1 0 278.234 2.015 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+](CC)CC ZINC000312546519 376719865 /nfs/dbraw/zinc/71/98/65/376719865.db2.gz JGGGLJVJIRUARW-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO C[C@@H](NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000423017613 376934403 /nfs/dbraw/zinc/93/44/03/376934403.db2.gz WUXBJQPEVSFMRU-DOMZBBRYSA-N 1 0 277.368 2.258 20 5 CEBDRO [NH3+][C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332329 377263687 /nfs/dbraw/zinc/26/36/87/377263687.db2.gz UZGFHGAFLVDUJQ-CABCVRRESA-N 1 0 275.352 2.299 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264897456 190142492 /nfs/dbraw/zinc/14/24/92/190142492.db2.gz KYURITZPVOPLMP-LZGFCCKTSA-N 1 0 291.351 2.064 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000331132013 377296373 /nfs/dbraw/zinc/29/63/73/377296373.db2.gz JKGLYEMPESBVJK-CQSZACIVSA-N 1 0 291.351 2.007 20 5 CEBDRO CO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000292906731 377346413 /nfs/dbraw/zinc/34/64/13/377346413.db2.gz FBKIAMUHFGVRHJ-SNVBAGLBSA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873955 377460524 /nfs/dbraw/zinc/46/05/24/377460524.db2.gz MCGAOYCOIRLPFX-WCQYABFASA-N 1 0 286.335 2.457 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293210661 377474390 /nfs/dbraw/zinc/47/43/90/377474390.db2.gz YFGYVLAZCHXECH-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293336465 377525978 /nfs/dbraw/zinc/52/59/78/377525978.db2.gz GVZZFFMGAFZLKI-GHMZBOCLSA-N 1 0 250.298 2.314 20 5 CEBDRO C[NH2+]CCSCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000565361090 377649144 /nfs/dbraw/zinc/64/91/44/377649144.db2.gz FCBNJBJDCKPVCJ-UHFFFAOYSA-N 1 0 274.317 2.195 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000265824199 190210492 /nfs/dbraw/zinc/21/04/92/190210492.db2.gz SNCFUYSYKUSVIP-NSHDSACASA-N 1 0 280.324 2.072 20 5 CEBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293715867 377720050 /nfs/dbraw/zinc/72/00/50/377720050.db2.gz SWGIQGGGIBCVBD-NSHDSACASA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)CCOC(C)C)cccc1[N+](=O)[O-] ZINC000567161327 377805547 /nfs/dbraw/zinc/80/55/47/377805547.db2.gz UHVQPRXRQJIOEL-CQSZACIVSA-N 1 0 296.367 2.169 20 5 CEBDRO C[NH2+]CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435877937 377812727 /nfs/dbraw/zinc/81/27/27/377812727.db2.gz WMNFHJPIQNOFSQ-UHFFFAOYSA-N 1 0 293.367 2.048 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCC1)CCC2 ZINC000447588244 378122869 /nfs/dbraw/zinc/12/28/69/378122869.db2.gz TVGCFVMAHSPVBY-HNNXBMFYSA-N 1 0 275.352 2.268 20 5 CEBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000447392822 378107049 /nfs/dbraw/zinc/10/70/49/378107049.db2.gz CKTLSGBTNOXSKG-AWEZNQCLSA-N 1 0 296.371 2.109 20 5 CEBDRO CCOc1cc(CN(C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000295528681 378197969 /nfs/dbraw/zinc/19/79/69/378197969.db2.gz VGWJSUMGGVDXCW-UHFFFAOYSA-N 1 0 292.335 2.357 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449694265 378220124 /nfs/dbraw/zinc/22/01/24/378220124.db2.gz BGDTXGWKSAHQNN-NSHDSACASA-N 1 0 297.380 2.083 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777405 378230362 /nfs/dbraw/zinc/23/03/62/378230362.db2.gz QIXMGEJRCWRXPD-WCQYABFASA-N 1 0 293.367 2.030 20 5 CEBDRO Cc1ccccc1CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000295800297 378308857 /nfs/dbraw/zinc/30/88/57/378308857.db2.gz VXNWWVSOHFUYSJ-UHFFFAOYSA-N 1 0 288.351 2.274 20 5 CEBDRO Cc1cc(F)c(NC(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296710943 378626909 /nfs/dbraw/zinc/62/69/09/378626909.db2.gz LEFYHABISGMZQL-UHFFFAOYSA-N 1 0 298.318 2.068 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632495 378598042 /nfs/dbraw/zinc/59/80/42/378598042.db2.gz VSQHVTCAFZFHNR-SECBINFHSA-N 1 0 282.319 2.212 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296659335 378608604 /nfs/dbraw/zinc/60/86/04/378608604.db2.gz GETGTUZPVBMJLI-UHFFFAOYSA-N 1 0 298.318 2.162 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000453171742 378822639 /nfs/dbraw/zinc/82/26/39/378822639.db2.gz HQSGNTJZUGECNG-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037951 218100286 /nfs/dbraw/zinc/10/02/86/218100286.db2.gz GEMJYPIWPBPIMG-TZMCWYRMSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299262310 378946160 /nfs/dbraw/zinc/94/61/60/378946160.db2.gz VTPYCXFQSZGPBH-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000347106437 218123278 /nfs/dbraw/zinc/12/32/78/218123278.db2.gz LULYDYFHPAAHGP-YPMHNXCESA-N 1 0 263.341 2.072 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347197965 218153787 /nfs/dbraw/zinc/15/37/87/218153787.db2.gz IITNFIRUQBMYMI-FZMZJTMJSA-N 1 0 292.335 2.021 20 5 CEBDRO CC[N@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347326942 218192065 /nfs/dbraw/zinc/19/20/65/218192065.db2.gz XNXPZVITNWQITM-FMIVXFBMSA-N 1 0 264.325 2.312 20 5 CEBDRO CCn1nccc1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000507131413 379097813 /nfs/dbraw/zinc/09/78/13/379097813.db2.gz ARXMVRLCILKVRR-UHFFFAOYSA-N 1 0 274.324 2.443 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO)s2)cc1 ZINC000304233309 379533672 /nfs/dbraw/zinc/53/36/72/379533672.db2.gz ONWVTNBZKOHPMV-UHFFFAOYSA-N 1 0 278.333 2.405 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000266854709 190284535 /nfs/dbraw/zinc/28/45/35/190284535.db2.gz SUVYORZAOKSCBU-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267049308 190299337 /nfs/dbraw/zinc/29/93/37/190299337.db2.gz QINWFXQHWVTTGJ-GFCCVEGCSA-N 1 0 268.288 2.345 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289442843 197349697 /nfs/dbraw/zinc/34/96/97/197349697.db2.gz FFRAQPZLLWHKHF-CYBMUJFWSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305206587 379683550 /nfs/dbraw/zinc/68/35/50/379683550.db2.gz YEDHTKDJNUVZFN-RISCZKNCSA-N 1 0 264.325 2.188 20 5 CEBDRO C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267169004 190308441 /nfs/dbraw/zinc/30/84/41/190308441.db2.gz HQOJVNHSDAKVDG-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000305196201 379681168 /nfs/dbraw/zinc/68/11/68/379681168.db2.gz UBEKPRHOMHEWMF-ZDUSSCGKSA-N 1 0 264.325 2.330 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000267535436 190336078 /nfs/dbraw/zinc/33/60/78/190336078.db2.gz NCWPMCWWWXNIPE-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO CC[NH+](CC)CCOCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000347849455 218375522 /nfs/dbraw/zinc/37/55/22/218375522.db2.gz CUINPDZDFQIDDY-UHFFFAOYSA-N 1 0 296.371 2.069 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458187250 380035995 /nfs/dbraw/zinc/03/59/95/380035995.db2.gz LJSZOHCGOPDLEI-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000268486161 190406093 /nfs/dbraw/zinc/40/60/93/190406093.db2.gz MKWJZNPEKBEMDY-WCQYABFASA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891207 380286734 /nfs/dbraw/zinc/28/67/34/380286734.db2.gz WQFRKPCXRLDEMU-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000279186906 194323837 /nfs/dbraw/zinc/32/38/37/194323837.db2.gz DLYKCIRNCSCFGP-WFASDCNBSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153683373 285091866 /nfs/dbraw/zinc/09/18/66/285091866.db2.gz HQDQMIBPNGBQKF-NSHDSACASA-N 1 0 296.758 2.318 20 5 CEBDRO COCCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275560681 285114140 /nfs/dbraw/zinc/11/41/40/285114140.db2.gz NRSQXRMOXSIISF-STQMWFEESA-N 1 0 294.351 2.393 20 5 CEBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000350511760 219032177 /nfs/dbraw/zinc/03/21/77/219032177.db2.gz HERRCFKNRZHIQR-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCOCC2)n1 ZINC000331887566 285169007 /nfs/dbraw/zinc/16/90/07/285169007.db2.gz JOCVYRCUXJWEHS-OLZOCXBDSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@H](NC(=O)CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000094294277 184777464 /nfs/dbraw/zinc/77/74/64/184777464.db2.gz UQMOLIVVURUSSO-JTQLQIEISA-N 1 0 277.324 2.044 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000094753409 184853235 /nfs/dbraw/zinc/85/32/35/184853235.db2.gz HTOCEMUYUREQRP-UONOGXRCSA-N 1 0 291.351 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000094772171 184859219 /nfs/dbraw/zinc/85/92/19/184859219.db2.gz XMGJLALZHGLPLC-JTQLQIEISA-N 1 0 289.339 2.273 20 5 CEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000281804986 195388632 /nfs/dbraw/zinc/38/86/32/195388632.db2.gz UCFCCKDOAMLILL-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO Nc1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000283575407 195880922 /nfs/dbraw/zinc/88/09/22/195880922.db2.gz OLYMNBRFMXFUHO-UHFFFAOYSA-N 1 0 278.356 2.465 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189925361 130039858 /nfs/dbraw/zinc/03/98/58/130039858.db2.gz AULLBCIHDVFWPC-OLZOCXBDSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187215 130198220 /nfs/dbraw/zinc/19/82/20/130198220.db2.gz WWHKPKKRZMQBOP-VXGBXAGGSA-N 1 0 294.351 2.207 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237424277 131029005 /nfs/dbraw/zinc/02/90/05/131029005.db2.gz YLHSVJAPOKULGC-WPRPVWTQSA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237430166 131030248 /nfs/dbraw/zinc/03/02/48/131030248.db2.gz RIEQKILXVVNLMA-DGCLKSJQSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063192312 291995310 /nfs/dbraw/zinc/99/53/10/291995310.db2.gz QBAWEENPWKSQJY-BXUZGUMPSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000261601834 131155786 /nfs/dbraw/zinc/15/57/86/131155786.db2.gz BVPLPRKTDLHUKN-WCQYABFASA-N 1 0 291.351 2.304 20 5 CEBDRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967752 394458517 /nfs/dbraw/zinc/45/85/17/394458517.db2.gz AJLRILOBLUHJKC-NWDGAFQWSA-N 1 0 291.351 2.032 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000301429394 394460484 /nfs/dbraw/zinc/46/04/84/394460484.db2.gz JASHHANWGHDOFB-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421012936 394462319 /nfs/dbraw/zinc/46/23/19/394462319.db2.gz UHNCMQQATMZDIM-CYBMUJFWSA-N 1 0 263.341 2.121 20 5 CEBDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020017326 394470516 /nfs/dbraw/zinc/47/05/16/394470516.db2.gz AJPQLHKJXXIQPR-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO C[NH+](C)C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302414531 394475962 /nfs/dbraw/zinc/47/59/62/394475962.db2.gz HNKHKAJAMMBJKA-UHFFFAOYSA-N 1 0 290.367 2.093 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236601135 394485127 /nfs/dbraw/zinc/48/51/27/394485127.db2.gz RLGZQZOEIMPZLN-SECBINFHSA-N 1 0 299.758 2.351 20 5 CEBDRO CC(=O)c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000035239361 394493703 /nfs/dbraw/zinc/49/37/03/394493703.db2.gz DQZWXRPROMLFJV-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000307896623 394524119 /nfs/dbraw/zinc/52/41/19/394524119.db2.gz LTOMXXLZVXIAAM-LLVKDONJSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000308667135 394529847 /nfs/dbraw/zinc/52/98/47/394529847.db2.gz KILVYKFETXUEJX-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+](C)C1CC1 ZINC000413350678 394533442 /nfs/dbraw/zinc/53/34/42/394533442.db2.gz XQISFWGBTXXBJV-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356768374 394607262 /nfs/dbraw/zinc/60/72/62/394607262.db2.gz JQXBQNQRRUNIDH-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421856600 394618203 /nfs/dbraw/zinc/61/82/03/394618203.db2.gz NPZVHMGIZJVWIT-LLVKDONJSA-N 1 0 291.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414852690 394771305 /nfs/dbraw/zinc/77/13/05/394771305.db2.gz WJYAROKSLKLIFY-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422836147 394820070 /nfs/dbraw/zinc/82/00/70/394820070.db2.gz ZZCJSRXARGLHQL-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1=CC[N@H+](C)CC1 ZINC000281902074 394872279 /nfs/dbraw/zinc/87/22/79/394872279.db2.gz MUQRSGQEVSCPNG-MRVPVSSYSA-N 1 0 268.342 2.114 20 5 CEBDRO CC(C)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000361827757 394835886 /nfs/dbraw/zinc/83/58/86/394835886.db2.gz BPQSQRAHZBBDQA-UHFFFAOYSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414986769 394837597 /nfs/dbraw/zinc/83/75/97/394837597.db2.gz YEUHALUUKBFHRE-SECBINFHSA-N 1 0 257.721 2.075 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278881252 394838237 /nfs/dbraw/zinc/83/82/37/394838237.db2.gz SOEVOKJTNYNEIT-UGFHNGPFSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423399205 394914710 /nfs/dbraw/zinc/91/47/10/394914710.db2.gz WDJWQNMRYYKBHK-NWDGAFQWSA-N 1 0 265.357 2.113 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423453776 394924206 /nfs/dbraw/zinc/92/42/06/394924206.db2.gz KUXKAXSJCLBNKM-SNVBAGLBSA-N 1 0 279.340 2.043 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000285978355 394994174 /nfs/dbraw/zinc/99/41/74/394994174.db2.gz HOYNZNGHUAHNIL-SNVBAGLBSA-N 1 0 297.380 2.308 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842737 395000309 /nfs/dbraw/zinc/00/03/09/395000309.db2.gz KGFQLBGDBPSXRQ-ZDUSSCGKSA-N 1 0 299.758 2.382 20 5 CEBDRO Cc1cnc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286322450 395019521 /nfs/dbraw/zinc/01/95/21/395019521.db2.gz KYUBIYNTGRGUHD-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286394990 395021403 /nfs/dbraw/zinc/02/14/03/395021403.db2.gz PDUNVWWSPOVCCR-DGCLKSJQSA-N 1 0 290.367 2.361 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415765413 394961822 /nfs/dbraw/zinc/96/18/22/394961822.db2.gz QVOATDQLIWOWJU-GFCCVEGCSA-N 1 0 292.339 2.016 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000343988408 395047685 /nfs/dbraw/zinc/04/76/85/395047685.db2.gz WXHIBMSQGTZYOR-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494206629 395100065 /nfs/dbraw/zinc/10/00/65/395100065.db2.gz YIFPJYOILWMDDN-SMDDNHRTSA-N 1 0 280.324 2.131 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](c2ccccc2)C1 ZINC000344414767 395054427 /nfs/dbraw/zinc/05/44/27/395054427.db2.gz GNWQKCAHPADTIF-OAHLLOKOSA-N 1 0 298.346 2.483 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000289810837 395088493 /nfs/dbraw/zinc/08/84/93/395088493.db2.gz ZRTLSVJUIPLABO-QWRGUYRKSA-N 1 0 277.324 2.230 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375016988 395089285 /nfs/dbraw/zinc/08/92/85/395089285.db2.gz GMJKUILECUPHBG-WFASDCNBSA-N 1 0 275.352 2.121 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000423961361 395035910 /nfs/dbraw/zinc/03/59/10/395035910.db2.gz TXZPNVSUKHHQPE-CYBMUJFWSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000175013272 395130270 /nfs/dbraw/zinc/13/02/70/395130270.db2.gz QUMCDBSDHMNEBP-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000290591615 395109475 /nfs/dbraw/zinc/10/94/75/395109475.db2.gz DBFYXXONIDMEMN-SNVBAGLBSA-N 1 0 266.345 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC000262089288 296503863 /nfs/dbraw/zinc/50/38/63/296503863.db2.gz UQQCNRGCZBKIDG-INIZCTEOSA-N 1 0 298.346 2.136 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CO1 ZINC000418028893 395174570 /nfs/dbraw/zinc/17/45/70/395174570.db2.gz HWTPAPNKUVLAPO-SECBINFHSA-N 1 0 290.323 2.128 20 5 CEBDRO COc1ccc(C[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397851206 395226461 /nfs/dbraw/zinc/22/64/61/395226461.db2.gz ZROWRVBJNGMRAG-UHFFFAOYSA-N 1 0 278.308 2.040 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000519711366 395212508 /nfs/dbraw/zinc/21/25/08/395212508.db2.gz KAGYNGKTOCOQTI-MGCOHNPYSA-N 1 0 299.758 2.175 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353432165 395297089 /nfs/dbraw/zinc/29/70/89/395297089.db2.gz BAHWGYLEXSNLMC-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CCO)CC2)cc1 ZINC000401101092 395255739 /nfs/dbraw/zinc/25/57/39/395255739.db2.gz ZOFOJFZMZHVFEC-UHFFFAOYSA-N 1 0 278.352 2.232 20 5 CEBDRO C[NH2+]CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420399824 395370485 /nfs/dbraw/zinc/37/04/85/395370485.db2.gz IEIQYFZFKNERDX-LLVKDONJSA-N 1 0 251.330 2.163 20 5 CEBDRO COCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593557 395387699 /nfs/dbraw/zinc/38/76/99/395387699.db2.gz VDZDUTKQNVTGIS-ZDUSSCGKSA-N 1 0 250.298 2.208 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000420627949 395391909 /nfs/dbraw/zinc/39/19/09/395391909.db2.gz OFIVUXZQTYNAOZ-UHFFFAOYSA-N 1 0 295.387 2.404 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420628931 395393149 /nfs/dbraw/zinc/39/31/49/395393149.db2.gz BPBCQYSUHFQKSW-LLVKDONJSA-N 1 0 289.339 2.002 20 5 CEBDRO C[NH2+]CCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000435879804 395393772 /nfs/dbraw/zinc/39/37/72/395393772.db2.gz FJQJAOFHIRBDPM-UHFFFAOYSA-N 1 0 265.357 2.415 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977112 395352054 /nfs/dbraw/zinc/35/20/54/395352054.db2.gz GJPMJXOYMBGYAB-NILFDRSVSA-N 1 0 294.351 2.439 20 5 CEBDRO CC1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000355311489 395406360 /nfs/dbraw/zinc/40/63/60/395406360.db2.gz FZLYMXIOOSLVQI-UHFFFAOYSA-N 1 0 295.364 2.038 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](O)CC1 ZINC000565785226 395484877 /nfs/dbraw/zinc/48/48/77/395484877.db2.gz QFQRQKWKZUDHDV-MJVIPROJSA-N 1 0 276.336 2.475 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451256076 395599725 /nfs/dbraw/zinc/59/97/25/395599725.db2.gz OIUBJVKTVCVFBP-MFKMUULPSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000572831323 395589161 /nfs/dbraw/zinc/58/91/61/395589161.db2.gz PCDUKKIFHPJQAH-CYBMUJFWSA-N 1 0 276.336 2.474 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451202728 395593363 /nfs/dbraw/zinc/59/33/63/395593363.db2.gz NYAIJOGCKBVSQC-HNNXBMFYSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000574401897 395629383 /nfs/dbraw/zinc/62/93/83/395629383.db2.gz AOZNWLJODNBVMF-ABAIWWIYSA-N 1 0 291.351 2.223 20 5 CEBDRO CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000189334402 153091836 /nfs/dbraw/zinc/09/18/36/153091836.db2.gz UIHXFUNLSHHHLO-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193559734 153234235 /nfs/dbraw/zinc/23/42/35/153234235.db2.gz YDPJHTQSVWBIAQ-SCRDCRAPSA-N 1 0 296.367 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000195336837 153288206 /nfs/dbraw/zinc/28/82/06/153288206.db2.gz KTOMZCCPLLHLLD-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226881624 153336571 /nfs/dbraw/zinc/33/65/71/153336571.db2.gz HZUJLQVVYNSADH-GXSJLCMTSA-N 1 0 281.360 2.014 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829879 153352007 /nfs/dbraw/zinc/35/20/07/153352007.db2.gz KDOYXAHLIVMFCR-QWHCGFSZSA-N 1 0 264.325 2.498 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825870 153352066 /nfs/dbraw/zinc/35/20/66/153352066.db2.gz FMOJILSTZHSLPE-QWHCGFSZSA-N 1 0 264.325 2.498 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227860869 153353065 /nfs/dbraw/zinc/35/30/65/153353065.db2.gz MPWXUSVEWIRCFE-MRVPVSSYSA-N 1 0 271.292 2.010 20 5 CEBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230153267 153385409 /nfs/dbraw/zinc/38/54/09/153385409.db2.gz VIOCJEWEBOXERW-QMTHXVAHSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249955199 153712033 /nfs/dbraw/zinc/71/20/33/153712033.db2.gz JDJHQJLWPFAEHG-MJBXVCDLSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000272260020 292295360 /nfs/dbraw/zinc/29/53/60/292295360.db2.gz BMRXDSDBTWSFND-YPMHNXCESA-N 1 0 264.325 2.421 20 5 CEBDRO CCc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000261846086 153857586 /nfs/dbraw/zinc/85/75/86/153857586.db2.gz SLEFROKIKBUERE-VIFPVBQESA-N 1 0 290.323 2.358 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368409861 292297098 /nfs/dbraw/zinc/29/70/98/292297098.db2.gz HTCDWKYIPOWRPO-SMDDNHRTSA-N 1 0 276.336 2.421 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352661881 154323600 /nfs/dbraw/zinc/32/36/00/154323600.db2.gz ZJHCDPTWEYZSOE-UONOGXRCSA-N 1 0 264.325 2.248 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000360990960 155425603 /nfs/dbraw/zinc/42/56/03/155425603.db2.gz PGSJGKYXYOJLGH-NWDGAFQWSA-N 1 0 295.387 2.404 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430891 155011738 /nfs/dbraw/zinc/01/17/38/155011738.db2.gz SVRSMIWLJHJCIT-DOMZBBRYSA-N 1 0 294.351 2.359 20 5 CEBDRO CO[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662441 155101253 /nfs/dbraw/zinc/10/12/53/155101253.db2.gz GSAHZJQWWVCYDU-ZDTYVGOBSA-N 1 0 292.335 2.003 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000363878014 156045163 /nfs/dbraw/zinc/04/51/63/156045163.db2.gz XRWJDMLKEWKXND-CJNGLKHVSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000363878018 156045904 /nfs/dbraw/zinc/04/59/04/156045904.db2.gz XRWJDMLKEWKXND-XJKSGUPXSA-N 1 0 289.379 2.429 20 5 CEBDRO CSC1(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368578445 156368472 /nfs/dbraw/zinc/36/84/72/156368472.db2.gz NBMMLQQHVHRYBR-LLVKDONJSA-N 1 0 296.396 2.324 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375033546 157041793 /nfs/dbraw/zinc/04/17/93/157041793.db2.gz WTLIGFYABIAXLN-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000375328012 157081547 /nfs/dbraw/zinc/08/15/47/157081547.db2.gz SEFWLHFJGBNNFJ-HNNXBMFYSA-N 1 0 292.335 2.229 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000376007858 157174517 /nfs/dbraw/zinc/17/45/17/157174517.db2.gz PBNJMCRIRRYSML-HUUCEWRRSA-N 1 0 292.335 2.227 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000174811987 165119647 /nfs/dbraw/zinc/11/96/47/165119647.db2.gz HBCWDINMAVUFKD-JSGCOSHPSA-N 1 0 278.356 2.446 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000408227080 165706806 /nfs/dbraw/zinc/70/68/06/165706806.db2.gz QXPXTRTXXXYUAL-WPRPVWTQSA-N 1 0 297.380 2.177 20 5 CEBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000285395473 196271710 /nfs/dbraw/zinc/27/17/10/196271710.db2.gz ASNJCPQUUSDUSI-ZWNOBZJWSA-N 1 0 266.366 2.478 20 5 CEBDRO C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000037420871 173197339 /nfs/dbraw/zinc/19/73/39/173197339.db2.gz RZSKSFXSBKPSCC-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810260 173753774 /nfs/dbraw/zinc/75/37/74/173753774.db2.gz TTWLHCOXFOXPRR-GFCCVEGCSA-N 1 0 279.340 2.071 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060576 174071659 /nfs/dbraw/zinc/07/16/59/174071659.db2.gz YVHUJWXPCGHHNP-KGLIPLIRSA-N 1 0 280.324 2.051 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690806 174376792 /nfs/dbraw/zinc/37/67/92/174376792.db2.gz JSDQBFWCTXXSAI-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040777407 174403179 /nfs/dbraw/zinc/40/31/79/174403179.db2.gz DTNWABOCNKHGQA-CYBMUJFWSA-N 1 0 266.341 2.134 20 5 CEBDRO COC[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044478241 175179124 /nfs/dbraw/zinc/17/91/24/175179124.db2.gz JXPURXXEPWTXBK-SNVBAGLBSA-N 1 0 252.314 2.275 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300300 176113512 /nfs/dbraw/zinc/11/35/12/176113512.db2.gz WGGBKFHGKJMMOB-NOZJJQNGSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1O ZINC000449139018 260244551 /nfs/dbraw/zinc/24/45/51/260244551.db2.gz JQECVJLBNYJOLY-UXIGCNINSA-N 1 0 278.352 2.419 20 5 CEBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449534963 260702395 /nfs/dbraw/zinc/70/23/95/260702395.db2.gz CRSUUAKPRFNVMO-RXVTVFCNSA-N 1 0 264.325 2.357 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448370578 261131627 /nfs/dbraw/zinc/13/16/27/261131627.db2.gz JKOQHFOKXCLQAC-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000449073927 261149912 /nfs/dbraw/zinc/14/99/12/261149912.db2.gz JSBFPRQSANIJGS-OLZOCXBDSA-N 1 0 288.351 2.401 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488746708 262385667 /nfs/dbraw/zinc/38/56/67/262385667.db2.gz MRHAGVFYULVIEI-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO COCCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419376767 270442552 /nfs/dbraw/zinc/44/25/52/270442552.db2.gz BNEOJLPBEYXAOP-UHFFFAOYSA-N 1 0 292.339 2.330 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C3CCCC3)C2)n1 ZINC000420961962 270578800 /nfs/dbraw/zinc/57/88/00/270578800.db2.gz JRYZNUMUYRQSHY-CYBMUJFWSA-N 1 0 278.356 2.303 20 5 CEBDRO CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422738934 270748064 /nfs/dbraw/zinc/74/80/64/270748064.db2.gz KLKKXQRZYNZXKY-GJZGRUSLSA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000424045234 271004214 /nfs/dbraw/zinc/00/42/14/271004214.db2.gz HLZCAWYOLYEJSZ-UHFFFAOYSA-N 1 0 299.758 2.034 20 5 CEBDRO CSc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424062093 271008380 /nfs/dbraw/zinc/00/83/80/271008380.db2.gz RZIHWSCYUVNWTK-UHFFFAOYSA-N 1 0 297.380 2.174 20 5 CEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CC2 ZINC000424317799 271043521 /nfs/dbraw/zinc/04/35/21/271043521.db2.gz GYRVSZPNBJUKFL-GXFFZTMASA-N 1 0 289.335 2.454 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551616 271168597 /nfs/dbraw/zinc/16/85/97/271168597.db2.gz QNFFAVOFDOOUOI-CMPLNLGQSA-N 1 0 287.323 2.263 20 5 CEBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425977939 271193682 /nfs/dbraw/zinc/19/36/82/271193682.db2.gz NLZHJRLXVYLZQM-UDGJJRABSA-N 1 0 276.336 2.311 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CCSC3)nc2c1 ZINC000425996440 271194573 /nfs/dbraw/zinc/19/45/73/271194573.db2.gz PYNOEOPJAMCQIR-SECBINFHSA-N 1 0 292.364 2.314 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000428445605 271266719 /nfs/dbraw/zinc/26/67/19/271266719.db2.gz GTXFFSWOOGCKNW-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000430205997 271363180 /nfs/dbraw/zinc/36/31/80/271363180.db2.gz VIHRWPMNNPQJDR-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C(C)(C)C ZINC000430234361 271364561 /nfs/dbraw/zinc/36/45/61/271364561.db2.gz ADUNOHBRNDPTAM-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000430232007 271365426 /nfs/dbraw/zinc/36/54/26/271365426.db2.gz DXHHLOVUANEJOQ-GWCFXTLKSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000361251636 274275321 /nfs/dbraw/zinc/27/53/21/274275321.db2.gz MXEYAGMWXGEPJQ-SSDOTTSWSA-N 1 0 291.336 2.233 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465704 275676317 /nfs/dbraw/zinc/67/63/17/275676317.db2.gz PRSXVBCRTDROST-MFKMUULPSA-N 1 0 252.314 2.262 20 5 CEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000276523113 276324325 /nfs/dbraw/zinc/32/43/25/276324325.db2.gz XVAPIDWFBTUYOR-UHFFFAOYSA-N 1 0 297.355 2.382 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000276431733 276343821 /nfs/dbraw/zinc/34/38/21/276343821.db2.gz KIWXWLXEYQTRJA-UHFFFAOYSA-N 1 0 295.339 2.136 20 5 CEBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188247522 278298422 /nfs/dbraw/zinc/29/84/22/278298422.db2.gz KUHIUISGCIOVSD-NSHDSACASA-N 1 0 292.314 2.151 20 5 CEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000182736074 278350749 /nfs/dbraw/zinc/35/07/49/278350749.db2.gz APUSMXHREMPBQZ-RYUDHWBXSA-N 1 0 293.367 2.171 20 5 CEBDRO C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000252463895 278483984 /nfs/dbraw/zinc/48/39/84/278483984.db2.gz MIJYSSLPZAUYPC-KOLCDFICSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@@H]1CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212293 278605384 /nfs/dbraw/zinc/60/53/84/278605384.db2.gz ZFQOLGAETSEYFL-OLZOCXBDSA-N 1 0 290.367 2.300 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000151916574 278864909 /nfs/dbraw/zinc/86/49/09/278864909.db2.gz YPRDLMVVXHRVSQ-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000133503233 280014350 /nfs/dbraw/zinc/01/43/50/280014350.db2.gz DXSDZEWRXINXKV-UWVGGRQHSA-N 1 0 262.313 2.027 20 5 CEBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000354006856 280329231 /nfs/dbraw/zinc/32/92/31/280329231.db2.gz OBFHBXMUTXAWQU-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916925 280963951 /nfs/dbraw/zinc/96/39/51/280963951.db2.gz BXTBTJQPPBSYHH-GHMZBOCLSA-N 1 0 263.341 2.162 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343424470 281195075 /nfs/dbraw/zinc/19/50/75/281195075.db2.gz DOYGAIRPAGCIBI-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC2)n1 ZINC000447506998 281830079 /nfs/dbraw/zinc/83/00/79/281830079.db2.gz GAJCJUJJFDJKOR-MNOVXSKESA-N 1 0 250.302 2.027 20 5 CEBDRO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511334 281830691 /nfs/dbraw/zinc/83/06/91/281830691.db2.gz LMOOSBLWAZILQO-OLZOCXBDSA-N 1 0 296.371 2.291 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000459621024 290197244 /nfs/dbraw/zinc/19/72/44/290197244.db2.gz OHMVFBQBSQKKLV-UHFFFAOYSA-N 1 0 262.309 2.207 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488059702 290376521 /nfs/dbraw/zinc/37/65/21/290376521.db2.gz UEANQTPFGHZANV-UHFFFAOYSA-N 1 0 288.351 2.365 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278889357 293166101 /nfs/dbraw/zinc/16/61/01/293166101.db2.gz XEBAIUZJTWAINV-ZLDLUXBVSA-N 1 0 294.351 2.439 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000044528610 295268881 /nfs/dbraw/zinc/26/88/81/295268881.db2.gz VMBNXBQIBJAMPR-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000530464096 298073633 /nfs/dbraw/zinc/07/36/33/298073633.db2.gz WUAZDKOVJOOXSW-IJVDHGTGSA-N 1 0 276.336 2.455 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCCOC1)C2 ZINC000535247167 298184511 /nfs/dbraw/zinc/18/45/11/298184511.db2.gz RASAUGGDYFHXBV-GFCCVEGCSA-N 1 0 276.336 2.380 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000538420070 298227940 /nfs/dbraw/zinc/22/79/40/298227940.db2.gz GOANCTPUGCKYBZ-ZDUSSCGKSA-N 1 0 290.319 2.129 20 5 CEBDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426984 312767879 /nfs/dbraw/zinc/76/78/79/312767879.db2.gz PQJSUMGAAUVKSA-NEPJUHHUSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC[N@@H+]1C ZINC000351283061 313005170 /nfs/dbraw/zinc/00/51/70/313005170.db2.gz VLZKXHBLIRZDED-IUCAKERBSA-N 1 0 292.295 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(CC[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000517555558 313111139 /nfs/dbraw/zinc/11/11/39/313111139.db2.gz JASRYHFRBQQVRR-LBPRGKRZSA-N 1 0 286.335 2.458 20 5 CEBDRO CCC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548783705 313575714 /nfs/dbraw/zinc/57/57/14/313575714.db2.gz STOMLNXXKKZZON-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO CC/C=C/C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570444792 314039779 /nfs/dbraw/zinc/03/97/79/314039779.db2.gz NOCWQUXGNSMTHU-ZZXKWVIFSA-N 1 0 277.324 2.479 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(C)C)CC1 ZINC000576121778 314244705 /nfs/dbraw/zinc/24/47/05/314244705.db2.gz MTTHJVPVXVYSLN-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)C(F)F ZINC000577443805 314376925 /nfs/dbraw/zinc/37/69/25/314376925.db2.gz LUWLUCHIKGISAW-GZMMTYOYSA-N 1 0 274.267 2.180 20 5 CEBDRO Cc1cccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000577728262 314406838 /nfs/dbraw/zinc/40/68/38/314406838.db2.gz UYRQHSZBGHZCAK-HNNXBMFYSA-N 1 0 275.352 2.483 20 5 CEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000387641473 321880408 /nfs/dbraw/zinc/88/04/08/321880408.db2.gz IFRMCEVWKKFCJZ-CYBMUJFWSA-N 1 0 293.367 2.235 20 5 CEBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000580712773 322337783 /nfs/dbraw/zinc/33/77/83/322337783.db2.gz QZLXIBPSIHTVAI-JTQLQIEISA-N 1 0 297.380 2.183 20 5 CEBDRO C[C@H](O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000580948170 322356511 /nfs/dbraw/zinc/35/65/11/322356511.db2.gz GMPCEMBQSCWWTE-IUCAKERBSA-N 1 0 272.732 2.150 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000581005683 322361507 /nfs/dbraw/zinc/36/15/07/322361507.db2.gz YTXHCDVTWCMCGW-RYUDHWBXSA-N 1 0 291.351 2.163 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000583261714 322534853 /nfs/dbraw/zinc/53/48/53/322534853.db2.gz CXSAPHGXLJEUOT-AXFHLTTASA-N 1 0 294.355 2.081 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000584390504 329325285 /nfs/dbraw/zinc/32/52/85/329325285.db2.gz IDLVVSXUKOGMAM-YVECIDJPSA-N 1 0 294.355 2.042 20 5 CEBDRO CCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480655 521484035 /nfs/dbraw/zinc/48/40/35/521484035.db2.gz GWIQTTAFEPUSJJ-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO COC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000045696085 522204524 /nfs/dbraw/zinc/20/45/24/522204524.db2.gz VKSQRIFSMDSDLR-JTQLQIEISA-N 1 0 252.314 2.275 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174874218 533824690 /nfs/dbraw/zinc/82/46/90/533824690.db2.gz GPJDPQOQMWVZSV-NEPJUHHUSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000097928101 534055006 /nfs/dbraw/zinc/05/50/06/534055006.db2.gz HLWZVPIUVLFWBN-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000414657991 534342767 /nfs/dbraw/zinc/34/27/67/534342767.db2.gz KWDQDMDDERXNQU-ZWNOBZJWSA-N 1 0 292.339 2.023 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000156716321 519817488 /nfs/dbraw/zinc/81/74/88/519817488.db2.gz QPGMKBXIPSCVKC-CYBMUJFWSA-N 1 0 294.355 2.432 20 5 CEBDRO CCC[NH2+]CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000154147025 519916976 /nfs/dbraw/zinc/91/69/76/519916976.db2.gz VSBGHMBMVAXLNG-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO CCOC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727267 520672533 /nfs/dbraw/zinc/67/25/33/520672533.db2.gz ADHDRLFGEFQGJO-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428448 523672374 /nfs/dbraw/zinc/67/23/74/523672374.db2.gz HSGGMXKLFIYLGT-CYBMUJFWSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000058003214 524513071 /nfs/dbraw/zinc/51/30/71/524513071.db2.gz PBCGNGCLWXXILU-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000415491749 534848309 /nfs/dbraw/zinc/84/83/09/534848309.db2.gz BIMUMXPGDXRKJR-LLVKDONJSA-N 1 0 292.339 2.249 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000056197197 525535360 /nfs/dbraw/zinc/53/53/60/525535360.db2.gz VDPBKCSTQLPPNL-RYUDHWBXSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000070089151 527356170 /nfs/dbraw/zinc/35/61/70/527356170.db2.gz VCJMKKZIYGJPAT-QMMMGPOBSA-N 1 0 256.689 2.237 20 5 CEBDRO Cn1cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050596153 527398025 /nfs/dbraw/zinc/39/80/25/527398025.db2.gz FGHONPSOSFPKKH-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860800 574969877 /nfs/dbraw/zinc/96/98/77/574969877.db2.gz INPWSUCNRIQAJH-IUCAKERBSA-N 1 0 252.318 2.096 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742424730 575021292 /nfs/dbraw/zinc/02/12/92/575021292.db2.gz CKVRGQNROYQDRC-NSHDSACASA-N 1 0 289.339 2.139 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954333 575241836 /nfs/dbraw/zinc/24/18/36/575241836.db2.gz MYVKNARVLQAIDS-VHSXEESVSA-N 1 0 289.339 2.336 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000892459439 625522618 /nfs/dbraw/zinc/52/26/18/625522618.db2.gz BYUIDXGQPZKMJI-NSHDSACASA-N 1 0 294.355 2.285 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932372490 622689640 /nfs/dbraw/zinc/68/96/40/622689640.db2.gz MMOMJMGYPSGYIF-SECBINFHSA-N 1 0 292.339 2.374 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C(C)C)CC1 ZINC000891571455 623792820 /nfs/dbraw/zinc/79/28/20/623792820.db2.gz SVJOMPYDHSDOLO-UHFFFAOYSA-N 1 0 294.355 2.283 20 5 CEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891853065 624027757 /nfs/dbraw/zinc/02/77/57/624027757.db2.gz AMUVXQSYFCJOJG-VXGBXAGGSA-N 1 0 295.387 2.108 20 5 CEBDRO C[C@H]1CSCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000934297007 624395915 /nfs/dbraw/zinc/39/59/15/624395915.db2.gz WZOVZGZTZWVFGQ-JTQLQIEISA-N 1 0 267.354 2.317 20 5 CEBDRO [NH3+]CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CCCC1 ZINC000843237462 625023221 /nfs/dbraw/zinc/02/32/21/625023221.db2.gz BRYJGXXTGMIOPM-UHFFFAOYSA-N 1 0 278.268 2.008 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc3nonc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000892673062 627387743 /nfs/dbraw/zinc/38/77/43/627387743.db2.gz FJULOPRIPPCKNN-RKDXNWHRSA-N 1 0 291.311 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccn2C2CC2)cc1 ZINC000892936345 627860505 /nfs/dbraw/zinc/86/05/05/627860505.db2.gz GCIUMXOMBRZOLS-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCCON)c2cc([N+](=O)[O-])ccc21 ZINC000902424721 634646508 /nfs/dbraw/zinc/64/65/08/634646508.db2.gz JZSVIBOQVXCZRK-CYBMUJFWSA-N 1 0 279.340 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CCC2 ZINC000902465158 634683339 /nfs/dbraw/zinc/68/33/39/634683339.db2.gz FHENVOPBPRGVCT-AEAUEXCSSA-N 1 0 287.363 2.455 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000841693792 628924352 /nfs/dbraw/zinc/92/43/52/628924352.db2.gz VMRSJMFIABNIRV-QXEWZRGKSA-N 1 0 252.318 2.034 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000261732262 629165622 /nfs/dbraw/zinc/16/56/22/629165622.db2.gz LGIRWUQIILZRMA-AWEZNQCLSA-N 1 0 295.770 2.434 20 5 CEBDRO Cc1ccnc(N)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000894241989 629248554 /nfs/dbraw/zinc/24/85/54/629248554.db2.gz QJENJWJZFDRPGH-UHFFFAOYSA-N 1 0 286.335 2.213 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261973549 629407517 /nfs/dbraw/zinc/40/75/17/629407517.db2.gz QOMWFHMIFBIJBQ-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010907 629435398 /nfs/dbraw/zinc/43/53/98/629435398.db2.gz VACGMOFITJASQI-ONGXEEELSA-N 1 0 283.759 2.417 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc[nH]1 ZINC000894422000 629457241 /nfs/dbraw/zinc/45/72/41/629457241.db2.gz ZBKLEGHDRITZLG-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894657706 629577660 /nfs/dbraw/zinc/57/76/60/629577660.db2.gz NEVCWRJADWJKSE-UWVGGRQHSA-N 1 0 266.297 2.197 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000894720628 629607671 /nfs/dbraw/zinc/60/76/71/629607671.db2.gz WXPJWLLSQXCVDJ-LBPRGKRZSA-N 1 0 293.371 2.147 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC1CCC(C)([NH+](C)C)CC1 ZINC000895002132 629788094 /nfs/dbraw/zinc/78/80/94/629788094.db2.gz BAVHQGIHBHTSDE-UHFFFAOYSA-N 1 0 281.360 2.003 20 5 CEBDRO CCC[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059810 629833018 /nfs/dbraw/zinc/83/30/18/629833018.db2.gz XWQCTNRXPHLLAC-JTQLQIEISA-N 1 0 267.304 2.312 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccncc1N)c1ccccc1[N+](=O)[O-] ZINC000902670766 634776533 /nfs/dbraw/zinc/77/65/33/634776533.db2.gz DVUZCDCWUXZHKV-LLVKDONJSA-N 1 0 286.335 2.465 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)C(C)C ZINC000797421792 630231544 /nfs/dbraw/zinc/23/15/44/630231544.db2.gz CJNKJOWGCWDCQR-UHFFFAOYSA-N 1 0 267.285 2.258 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1Cl ZINC000895781546 630349736 /nfs/dbraw/zinc/34/97/36/630349736.db2.gz YGUGTIIQAMJQEF-UHIISALHSA-N 1 0 296.754 2.451 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000895798120 630353241 /nfs/dbraw/zinc/35/32/41/630353241.db2.gz ATNVCCFFJPMKBG-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000896650669 630625224 /nfs/dbraw/zinc/62/52/24/630625224.db2.gz KTHMULSNJWSPQU-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCO1 ZINC000896923038 630809911 /nfs/dbraw/zinc/80/99/11/630809911.db2.gz FAYIPFMEGRHJOW-YIZWMMSDSA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000320558230 630933374 /nfs/dbraw/zinc/93/33/74/630933374.db2.gz QLPHAGPTUZFYBF-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800848406 631149052 /nfs/dbraw/zinc/14/90/52/631149052.db2.gz NNDPUKYLQOBATG-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO C[C@H](C[NH2+]Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897469093 631536018 /nfs/dbraw/zinc/53/60/18/631536018.db2.gz CVSZKWHYLHTPPO-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503923 631696792 /nfs/dbraw/zinc/69/67/92/631696792.db2.gz JUAABWHZOJSDTL-NXEZZACHSA-N 1 0 294.311 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000841026483 631806876 /nfs/dbraw/zinc/80/68/76/631806876.db2.gz DOWHWWXIXFSRNX-RNCFNFMXSA-N 1 0 281.743 2.042 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064486 632381344 /nfs/dbraw/zinc/38/13/44/632381344.db2.gz RDCOXVGXLSPNDU-JOYOIKCWSA-N 1 0 283.759 2.336 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)c1 ZINC000813615648 632717567 /nfs/dbraw/zinc/71/75/67/632717567.db2.gz ZBWJVXYUFXJQDB-SECBINFHSA-N 1 0 285.319 2.352 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000905188325 635857463 /nfs/dbraw/zinc/85/74/63/635857463.db2.gz FBKVLMPVDHVTLK-UHFFFAOYSA-N 1 0 272.707 2.377 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578270 633033164 /nfs/dbraw/zinc/03/31/64/633033164.db2.gz LFYHBMVDABHJDU-RYUDHWBXSA-N 1 0 292.383 2.169 20 5 CEBDRO COC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815589180 633036057 /nfs/dbraw/zinc/03/60/57/633036057.db2.gz KMPPFVOVXATZGT-SECBINFHSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@@H]([NH2+]CCOC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619726 633039732 /nfs/dbraw/zinc/03/97/32/633039732.db2.gz WJDDDMQKLCQVGQ-SSDOTTSWSA-N 1 0 293.245 2.364 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957303 633800130 /nfs/dbraw/zinc/80/01/30/633800130.db2.gz AIHXIFRODRRZKI-JQWIXIFHSA-N 1 0 280.372 2.201 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000819170740 634091241 /nfs/dbraw/zinc/09/12/41/634091241.db2.gz NPUGAXLUXXKRJO-ZYHUDNBSSA-N 1 0 286.278 2.406 20 5 CEBDRO CO[C@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819325137 634141174 /nfs/dbraw/zinc/14/11/74/634141174.db2.gz YCBVEAGXVCXZFL-LSDHHAIUSA-N 1 0 294.351 2.033 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819339843 634145824 /nfs/dbraw/zinc/14/58/24/634145824.db2.gz UCKSFFYUOCMJDS-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H](C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819341484 634146161 /nfs/dbraw/zinc/14/61/61/634146161.db2.gz QOCNDSQOEKLKMA-GLQYFDAESA-N 1 0 296.367 2.279 20 5 CEBDRO CO[C@@H]([C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819352573 634150681 /nfs/dbraw/zinc/15/06/81/634150681.db2.gz PCEDLHVJQHUHIG-LKTVYLICSA-N 1 0 294.351 2.031 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000819353647 634150888 /nfs/dbraw/zinc/15/08/88/634150888.db2.gz GLXQTPVLCXFAJP-WFASDCNBSA-N 1 0 294.351 2.035 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056188 634948560 /nfs/dbraw/zinc/94/85/60/634948560.db2.gz RIOYOQFVTLXCHI-GWCFXTLKSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903209742 635016617 /nfs/dbraw/zinc/01/66/17/635016617.db2.gz OSQOHWUAQYJXDO-JBLDHEPKSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903261475 635033842 /nfs/dbraw/zinc/03/38/42/635033842.db2.gz XEKLQWSKLJNWRI-PKPZWWHKSA-N 1 0 291.351 2.395 20 5 CEBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000903300434 635047579 /nfs/dbraw/zinc/04/75/79/635047579.db2.gz HXULAUJFWZTABW-HONMWMINSA-N 1 0 275.352 2.264 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN2C)cccc1[N+](=O)[O-] ZINC000903321391 635054942 /nfs/dbraw/zinc/05/49/42/635054942.db2.gz DEMGVSABVVCHIC-NWDGAFQWSA-N 1 0 263.341 2.258 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823070110 635059353 /nfs/dbraw/zinc/05/93/53/635059353.db2.gz ZGXBYEONGSGBJK-NKWVEPMBSA-N 1 0 280.309 2.172 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000823069040 635059375 /nfs/dbraw/zinc/05/93/75/635059375.db2.gz BLQDTJCJOSDJRC-SSDOTTSWSA-N 1 0 280.309 2.173 20 5 CEBDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903327845 635076885 /nfs/dbraw/zinc/07/68/85/635076885.db2.gz AACUGODUYVDIAJ-XSRFYTQQSA-N 1 0 264.325 2.406 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000903529694 635161809 /nfs/dbraw/zinc/16/18/09/635161809.db2.gz RJPNETKKCISYTL-NSHDSACASA-N 1 0 281.331 2.308 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[C@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903856199 635307624 /nfs/dbraw/zinc/30/76/24/635307624.db2.gz QWMRIBMUAHHUHB-HIFRSBDPSA-N 1 0 275.352 2.216 20 5 CEBDRO Cc1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903954215 635387920 /nfs/dbraw/zinc/38/79/20/635387920.db2.gz AOBAFGPIYZITMY-GFCCVEGCSA-N 1 0 299.321 2.238 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000904462260 635634893 /nfs/dbraw/zinc/63/48/93/635634893.db2.gz PJCDMRXKVRVCNL-GFCCVEGCSA-N 1 0 283.759 2.336 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000904919914 635761490 /nfs/dbraw/zinc/76/14/90/635761490.db2.gz UHWZBGGPQDREPA-AWEZNQCLSA-N 1 0 277.324 2.001 20 5 CEBDRO Cc1ccc(CSCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905023250 635791637 /nfs/dbraw/zinc/79/16/37/635791637.db2.gz GNKBQKSACIWVLH-UHFFFAOYSA-N 1 0 254.355 2.095 20 5 CEBDRO Cc1cc(Br)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905107243 635818933 /nfs/dbraw/zinc/81/89/33/635818933.db2.gz XLEAXXPEGQNJSR-UHFFFAOYSA-N 1 0 273.130 2.124 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000905159520 635834479 /nfs/dbraw/zinc/83/44/79/635834479.db2.gz MDIVXOUCOBWWPH-IUCAKERBSA-N 1 0 254.252 2.221 20 5 CEBDRO CCOc1ccc(C[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905280586 636207030 /nfs/dbraw/zinc/20/70/30/636207030.db2.gz OXWNMZQYTXHYJR-LBPRGKRZSA-N 1 0 266.341 2.130 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905422719 636260541 /nfs/dbraw/zinc/26/05/41/636260541.db2.gz JFGBQCKPWSTGIH-VQTKUKTRSA-N 1 0 292.335 2.056 20 5 CEBDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000827340883 636299064 /nfs/dbraw/zinc/29/90/64/636299064.db2.gz SVUOGQCORUPOJL-UHFFFAOYSA-N 1 0 295.339 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000905667904 636374556 /nfs/dbraw/zinc/37/45/56/636374556.db2.gz RRZVEVCBYGMXOH-JUDXGUMMSA-N 1 0 276.336 2.406 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)cccc1[N+](=O)[O-] ZINC000876550128 650320335 /nfs/dbraw/zinc/32/03/35/650320335.db2.gz PWOUKFIQUXNZPL-BXKDBHETSA-N 1 0 277.324 2.215 20 5 CEBDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616053 637621560 /nfs/dbraw/zinc/62/15/60/637621560.db2.gz QAHPKVLXAJKKIB-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(C)([NH3+])CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911846095 638442401 /nfs/dbraw/zinc/44/24/01/638442401.db2.gz MTVBIGHUWMCLMG-UHFFFAOYSA-N 1 0 299.758 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000876792531 650433737 /nfs/dbraw/zinc/43/37/37/650433737.db2.gz XEGMERQOHZTADX-CQSZACIVSA-N 1 0 264.325 2.168 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827147 650449027 /nfs/dbraw/zinc/44/90/27/650449027.db2.gz LRJZVGJEBQEANH-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@H](Cc1ccco1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916524 650485239 /nfs/dbraw/zinc/48/52/39/650485239.db2.gz CLUBPSHPUSMNNV-VOMCLLRMSA-N 1 0 290.323 2.309 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000044572439 639342720 /nfs/dbraw/zinc/34/27/20/639342720.db2.gz PXFRVZVWVWRRLR-VIFPVBQESA-N 1 0 293.327 2.273 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226129966 639525844 /nfs/dbraw/zinc/52/58/44/639525844.db2.gz RCRCHQRBBSJHOF-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000227015276 639570790 /nfs/dbraw/zinc/57/07/90/639570790.db2.gz CAEBFGXPKUUCMX-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841063876 639640058 /nfs/dbraw/zinc/64/00/58/639640058.db2.gz BHLQBDCRKQLDLE-NOZJJQNGSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[C@@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841069921 639642769 /nfs/dbraw/zinc/64/27/69/639642769.db2.gz HPEBDRNNMIUUNW-SECBINFHSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000228560001 639644608 /nfs/dbraw/zinc/64/46/08/639644608.db2.gz RQVSIELXIIJMFP-MRVPVSSYSA-N 1 0 292.270 2.251 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841103224 639679249 /nfs/dbraw/zinc/67/92/49/639679249.db2.gz NPIBLLYNZHFCHF-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C[S@@](=O)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229229684 639684880 /nfs/dbraw/zinc/68/48/80/639684880.db2.gz HFEVVIZZMNWYSJ-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000229300308 639690643 /nfs/dbraw/zinc/69/06/43/639690643.db2.gz TWOYXDNUORJVAW-MPKXVKKWSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000229300289 639690829 /nfs/dbraw/zinc/69/08/29/639690829.db2.gz TWOYXDNUORJVAW-SCDSUCTJSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210370 639746634 /nfs/dbraw/zinc/74/66/34/639746634.db2.gz BJENWCKURXPKER-ZWNOBZJWSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877025737 650536554 /nfs/dbraw/zinc/53/65/54/650536554.db2.gz ULXNADRBDZUMST-YUVKLTJASA-N 1 0 264.329 2.273 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094773825 639971155 /nfs/dbraw/zinc/97/11/55/639971155.db2.gz NCCFFBGXAFTDTG-LBPRGKRZSA-N 1 0 270.304 2.495 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842474507 640073827 /nfs/dbraw/zinc/07/38/27/640073827.db2.gz UIWGEDFQXOCILF-BETUJISGSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842478075 640076751 /nfs/dbraw/zinc/07/67/51/640076751.db2.gz LYIMVHJOFPHNIT-IUODEOHRSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000877085322 650565484 /nfs/dbraw/zinc/56/54/84/650565484.db2.gz SHTVLKSCGVRPOF-XIVSLSHWSA-N 1 0 296.396 2.370 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843058720 640261724 /nfs/dbraw/zinc/26/17/24/640261724.db2.gz WYERFQKHXMRHJB-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084192 640274509 /nfs/dbraw/zinc/27/45/09/640274509.db2.gz VUECUXMJOCKUPO-UONOGXRCSA-N 1 0 296.367 2.015 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000843187497 640338402 /nfs/dbraw/zinc/33/84/02/640338402.db2.gz RCUWSPCYJHBUOB-AWEZNQCLSA-N 1 0 288.307 2.204 20 5 CEBDRO CC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187961 640338448 /nfs/dbraw/zinc/33/84/48/640338448.db2.gz VQPAPDJTDWBXEX-UHFFFAOYSA-N 1 0 262.269 2.063 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)s1 ZINC000843219191 640351094 /nfs/dbraw/zinc/35/10/94/640351094.db2.gz ZSXDRSZTYFUKOZ-ZETCQYMHSA-N 1 0 280.309 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CCC3CC[NH2+]CC3)n2)o1 ZINC000843237909 640364152 /nfs/dbraw/zinc/36/41/52/640364152.db2.gz HYHRLSZZYFDXKY-UHFFFAOYSA-N 1 0 292.295 2.170 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000843357060 640401012 /nfs/dbraw/zinc/40/10/12/640401012.db2.gz APAXBXIKDRENIJ-SNVBAGLBSA-N 1 0 283.759 2.290 20 5 CEBDRO O=C(Cc1ccccc1[N+](=O)[O-])OCC[NH+]1CCCCC1 ZINC000844264608 640647620 /nfs/dbraw/zinc/64/76/20/640647620.db2.gz KTGXXECTTLSMON-UHFFFAOYSA-N 1 0 292.335 2.166 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844472334 640741557 /nfs/dbraw/zinc/74/15/57/640741557.db2.gz WJKCMTVGLIOQBO-QWHCGFSZSA-N 1 0 298.289 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844472336 640742152 /nfs/dbraw/zinc/74/21/52/640742152.db2.gz WJKCMTVGLIOQBO-STQMWFEESA-N 1 0 298.289 2.359 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000917347715 640877731 /nfs/dbraw/zinc/87/77/31/640877731.db2.gz WGOXLMUEMONHFH-JTQLQIEISA-N 1 0 253.327 2.176 20 5 CEBDRO CC1(C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000232928971 641122605 /nfs/dbraw/zinc/12/26/05/641122605.db2.gz HEQSURRMTBUKHN-YPMHNXCESA-N 1 0 264.325 2.264 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847825123 641794807 /nfs/dbraw/zinc/79/48/07/641794807.db2.gz AEIXYENHANSKPJ-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO Cc1cc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000847830815 641798437 /nfs/dbraw/zinc/79/84/37/641798437.db2.gz VTQIHWGZDZMMNH-GFCCVEGCSA-N 1 0 292.335 2.402 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000877441398 650723418 /nfs/dbraw/zinc/72/34/18/650723418.db2.gz JHOASFGWZZTJPN-UHFFFAOYSA-N 1 0 293.367 2.115 20 5 CEBDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000849001555 642220138 /nfs/dbraw/zinc/22/01/38/642220138.db2.gz ZAPQFVJWRRBPBN-UHFFFAOYSA-N 1 0 276.340 2.148 20 5 CEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877474327 650738711 /nfs/dbraw/zinc/73/87/11/650738711.db2.gz SYPQGQKYKIQESV-AAEUAGOBSA-N 1 0 292.335 2.335 20 5 CEBDRO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850555117 642751271 /nfs/dbraw/zinc/75/12/71/642751271.db2.gz MDRRHIBASSNRCW-YPMHNXCESA-N 1 0 292.383 2.312 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN1C ZINC000922574683 643133272 /nfs/dbraw/zinc/13/32/72/643133272.db2.gz PSQFRIVIZWTOKZ-GFCCVEGCSA-N 1 0 263.341 2.005 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3=CCCC3)C2)c1 ZINC000877636091 650826403 /nfs/dbraw/zinc/82/64/03/650826403.db2.gz NAMPGLNBASPRSR-UHFFFAOYSA-N 1 0 262.313 2.195 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155978692 643287179 /nfs/dbraw/zinc/28/71/79/643287179.db2.gz FQXQTDUTUHJMRZ-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852534740 643461404 /nfs/dbraw/zinc/46/14/04/643461404.db2.gz OUZQUGDUBKTASE-SMDDNHRTSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCc2ccco2)c1 ZINC000853123147 643667002 /nfs/dbraw/zinc/66/70/02/643667002.db2.gz WBJBTKAONCDDDR-OAHLLOKOSA-N 1 0 290.319 2.444 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000923441281 643717756 /nfs/dbraw/zinc/71/77/56/643717756.db2.gz IYQLYTDYUAYOTE-VWYCJHECSA-N 1 0 281.331 2.305 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(F)c1 ZINC000923532843 643753754 /nfs/dbraw/zinc/75/37/54/643753754.db2.gz CPYFRESZCUYOKR-OAHLLOKOSA-N 1 0 293.342 2.452 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923533823 643754166 /nfs/dbraw/zinc/75/41/66/643754166.db2.gz IVUFNYWIRVWHKQ-INIZCTEOSA-N 1 0 289.379 2.355 20 5 CEBDRO Cc1c(-c2noc(C[NH2+]C(C)C)n2)cccc1[N+](=O)[O-] ZINC000854160168 644001476 /nfs/dbraw/zinc/00/14/76/644001476.db2.gz NDKGHXFIVLMDHW-UHFFFAOYSA-N 1 0 276.296 2.451 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000788132748 644146118 /nfs/dbraw/zinc/14/61/18/644146118.db2.gz HZLHTFQKTYDGBL-TZMCWYRMSA-N 1 0 290.319 2.378 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000754542272 644388012 /nfs/dbraw/zinc/38/80/12/644388012.db2.gz UFDZQWVKXZFXJR-GFCCVEGCSA-N 1 0 296.298 2.165 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199790 644486548 /nfs/dbraw/zinc/48/65/48/644486548.db2.gz PDCVKTPRBFYQGF-BXUZGUMPSA-N 1 0 296.392 2.456 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843046880 644748357 /nfs/dbraw/zinc/74/83/57/644748357.db2.gz DESDIGNNFWGMFG-JTQLQIEISA-N 1 0 283.759 2.419 20 5 CEBDRO C[NH2+]C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843052094 644760018 /nfs/dbraw/zinc/76/00/18/644760018.db2.gz FZQJUVPKMPBAPT-SNVBAGLBSA-N 1 0 283.759 2.290 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000757703011 644838117 /nfs/dbraw/zinc/83/81/17/644838117.db2.gz FUNAAGXTZLPXHR-SWLSCSKDSA-N 1 0 289.379 2.476 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859684546 645567928 /nfs/dbraw/zinc/56/79/28/645567928.db2.gz DHGQCLGOMPMRCV-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740239 645573144 /nfs/dbraw/zinc/57/31/44/645573144.db2.gz YVDFMJAFZCBRNV-GXFFZTMASA-N 1 0 290.319 2.341 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000772054318 646590507 /nfs/dbraw/zinc/59/05/07/646590507.db2.gz OASUTOZFYAAXDZ-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OCC ZINC000863565325 646757813 /nfs/dbraw/zinc/75/78/13/646757813.db2.gz GUQIBKAAKGTOLG-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863576761 646761374 /nfs/dbraw/zinc/76/13/74/646761374.db2.gz UMUMCULZFCFYIA-ZFWWWQNUSA-N 1 0 296.367 2.015 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776485685 647065877 /nfs/dbraw/zinc/06/58/77/647065877.db2.gz UNTROEQIRSODBG-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000776580330 647073580 /nfs/dbraw/zinc/07/35/80/647073580.db2.gz UMKVVHZSUGRJLJ-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865692107 647426177 /nfs/dbraw/zinc/42/61/77/647426177.db2.gz BHKOAIODZQTTJQ-WPTOEGHWSA-N 1 0 274.320 2.108 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865692858 647427017 /nfs/dbraw/zinc/42/70/17/647427017.db2.gz GVWONGDTSALUTQ-JVSQWTDWSA-N 1 0 274.320 2.108 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866283073 647716330 /nfs/dbraw/zinc/71/63/30/647716330.db2.gz VITFQVOCVAEBRT-ZWNOBZJWSA-N 1 0 284.331 2.271 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866282962 647716560 /nfs/dbraw/zinc/71/65/60/647716560.db2.gz QFBDPFYUHDLQBL-QWRGUYRKSA-N 1 0 284.331 2.416 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC(O)C1 ZINC000783673637 647746632 /nfs/dbraw/zinc/74/66/32/647746632.db2.gz RAWNUSNOPKYCSP-UHFFFAOYSA-N 1 0 270.716 2.203 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)O ZINC000866344171 647746864 /nfs/dbraw/zinc/74/68/64/647746864.db2.gz UNJZFPVULNCLAJ-JTQLQIEISA-N 1 0 284.331 2.416 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679480 647747405 /nfs/dbraw/zinc/74/74/05/647747405.db2.gz IIVVGKMABFJQJC-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679477 647747441 /nfs/dbraw/zinc/74/74/41/647747441.db2.gz IIVVGKMABFJQJC-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO OC[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000785981217 647975786 /nfs/dbraw/zinc/97/57/86/647975786.db2.gz QBYKUFJCLYJHQB-HNNXBMFYSA-N 1 0 281.355 2.436 20 5 CEBDRO CC(C)(C)CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867946134 647997151 /nfs/dbraw/zinc/99/71/51/647997151.db2.gz CDSXXFHIOWSWOT-HNNXBMFYSA-N 1 0 293.367 2.321 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868001526 648017064 /nfs/dbraw/zinc/01/70/64/648017064.db2.gz GTGJLJADJBPOHP-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000869897487 648642703 /nfs/dbraw/zinc/64/27/03/648642703.db2.gz VXZHGTODQRSABU-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000794685591 648902929 /nfs/dbraw/zinc/90/29/29/648902929.db2.gz MCCHJUZTDIPQGE-JTQLQIEISA-N 1 0 252.318 2.259 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)O ZINC000872015944 649241207 /nfs/dbraw/zinc/24/12/07/649241207.db2.gz ANXHEUGWIQHLDA-RKDXNWHRSA-N 1 0 270.354 2.348 20 5 CEBDRO C[C@H](NCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018194 649242121 /nfs/dbraw/zinc/24/21/21/649242121.db2.gz JHZLRXILFJVQAL-NSHDSACASA-N 1 0 281.331 2.480 20 5 CEBDRO COCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016111 649242140 /nfs/dbraw/zinc/24/21/40/649242140.db2.gz FAUCQMVQDWHCMJ-VIFPVBQESA-N 1 0 256.277 2.421 20 5 CEBDRO CO[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064944 649260236 /nfs/dbraw/zinc/26/02/36/649260236.db2.gz PQUHAOUSZBZSSM-BDAKNGLRSA-N 1 0 256.277 2.419 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090358 649270394 /nfs/dbraw/zinc/27/03/94/649270394.db2.gz BOWTWYAWKNKJEC-GMSGAONNSA-N 1 0 292.257 2.401 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000872153716 649297281 /nfs/dbraw/zinc/29/72/81/649297281.db2.gz NYXULUKCBFUEHB-SMDDNHRTSA-N 1 0 295.770 2.290 20 5 CEBDRO COC(C)(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872225390 649321911 /nfs/dbraw/zinc/32/19/11/649321911.db2.gz ACXHKLQMZSSWBM-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO C[NH2+]C1(CNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC000872629944 649445260 /nfs/dbraw/zinc/44/52/60/649445260.db2.gz UNUZODIVVPNIAK-UHFFFAOYSA-N 1 0 264.329 2.324 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781732 649488981 /nfs/dbraw/zinc/48/89/81/649488981.db2.gz XWAHCWQHJLTSER-RYUDHWBXSA-N 1 0 296.758 2.316 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)O ZINC000873050757 649543988 /nfs/dbraw/zinc/54/39/88/649543988.db2.gz RNSZZJAUZJJPOB-SNVBAGLBSA-N 1 0 252.314 2.072 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000873163553 649576569 /nfs/dbraw/zinc/57/65/69/649576569.db2.gz SAEXIHKGZCCQPW-LBPRGKRZSA-N 1 0 278.308 2.028 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccccc1[N+](=O)[O-] ZINC000880128962 651386650 /nfs/dbraw/zinc/38/66/50/651386650.db2.gz AQZBLFQICSMAEG-HUUCEWRRSA-N 1 0 275.352 2.263 20 5 CEBDRO CC(=O)c1c(NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881773161 651879987 /nfs/dbraw/zinc/87/99/87/651879987.db2.gz WEGPVFRKYHEXTI-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000881958136 651924991 /nfs/dbraw/zinc/92/49/91/651924991.db2.gz CGKCIXJJZLSBNI-LLVKDONJSA-N 1 0 294.330 2.194 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000129592625 652035593 /nfs/dbraw/zinc/03/55/93/652035593.db2.gz WFHNUYFRNYEDPT-NSHDSACASA-N 1 0 252.318 2.259 20 5 CEBDRO CC(=O)c1c(N(C)C[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000882473351 652088924 /nfs/dbraw/zinc/08/89/24/652088924.db2.gz RTBPMYGYCOLEFC-GFCCVEGCSA-N 1 0 291.351 2.328 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000883360781 652443649 /nfs/dbraw/zinc/44/36/49/652443649.db2.gz KEEJUXZGOWPNQB-DYLGSBMWSA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000132279745 652509724 /nfs/dbraw/zinc/50/97/24/652509724.db2.gz JLOTWDDOMOUWNZ-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000132830419 652559827 /nfs/dbraw/zinc/55/98/27/652559827.db2.gz LYICPHAJJOXXQG-UHFFFAOYSA-N 1 0 295.314 2.076 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000884021232 652633001 /nfs/dbraw/zinc/63/30/01/652633001.db2.gz VVBVSYMRYJVUED-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164632261 719184742 /nfs/dbraw/zinc/18/47/42/719184742.db2.gz DRNXAZZYDHGPGT-ZJUUUORDSA-N 1 0 298.774 2.480 20 5 CEBDRO Cc1cnc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078659460 721930953 /nfs/dbraw/zinc/93/09/53/721930953.db2.gz XAIQGGHMCTUHQK-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153704754 721930968 /nfs/dbraw/zinc/93/09/68/721930968.db2.gz MJBXJOVSVJSBNJ-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO C[NH+](C)CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928730 721942694 /nfs/dbraw/zinc/94/26/94/721942694.db2.gz APFXDSJIQSSWCC-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1c(C[NH2+]CCO[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000690952804 805842656 /nfs/dbraw/zinc/84/26/56/805842656.db2.gz MTBYBFRWLOCCGN-GFCCVEGCSA-N 1 0 286.278 2.417 20 5 CEBDRO CCCc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227173186 805873143 /nfs/dbraw/zinc/87/31/43/805873143.db2.gz RYJLGLQFKDSUBH-CQSZACIVSA-N 1 0 280.388 2.002 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159933774 806846962 /nfs/dbraw/zinc/84/69/62/806846962.db2.gz FHLWYZVFWKEOOM-SNVBAGLBSA-N 1 0 280.259 2.440 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001167278303 802625156 /nfs/dbraw/zinc/62/51/56/802625156.db2.gz GPVCFVQKARARNY-ZETCQYMHSA-N 1 0 290.245 2.125 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724998653 803382329 /nfs/dbraw/zinc/38/23/29/803382329.db2.gz MZPQLHUWGOAUKP-YXMLORGKSA-N 1 0 282.727 2.251 20 5 CEBDRO Cc1cc(O[C@H]2C[NH2+][C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218389309 803596756 /nfs/dbraw/zinc/59/67/56/803596756.db2.gz YBWUCXUGSWVVQK-PWSUYJOCSA-N 1 0 250.298 2.259 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc([N+](=O)[O-])cn1 ZINC001167752015 803837841 /nfs/dbraw/zinc/83/78/41/803837841.db2.gz AXYRTWLHQDQYCY-LLVKDONJSA-N 1 0 279.344 2.061 20 5 CEBDRO CC[N@@H+]1CC[C@@H](OCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001223650392 804605473 /nfs/dbraw/zinc/60/54/73/804605473.db2.gz HPAUJXVNSCPLOC-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001119249275 815079669 /nfs/dbraw/zinc/07/96/69/815079669.db2.gz AUNUFBLPBCSDET-GHMZBOCLSA-N 1 0 284.385 2.044 20 5 CEBDRO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])cn2)c2ccc(O)cc12 ZINC001167983630 805520732 /nfs/dbraw/zinc/52/07/32/805520732.db2.gz HLHWMYOAVJWYAO-UHFFFAOYSA-N 1 0 298.302 2.141 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000698226466 807056819 /nfs/dbraw/zinc/05/68/19/807056819.db2.gz IGGMOZDSYGFDQD-SNVBAGLBSA-N 1 0 295.236 2.055 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000696078120 807134446 /nfs/dbraw/zinc/13/44/46/807134446.db2.gz CSKLJIVAZFIRNO-SECBINFHSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH2+]CC2(O)CCCCC2)cc1 ZINC001120468904 807216928 /nfs/dbraw/zinc/21/69/28/807216928.db2.gz PPYRGXVVHDSCKC-UHFFFAOYSA-N 1 0 293.367 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000699010371 807553823 /nfs/dbraw/zinc/55/38/23/807553823.db2.gz GOYAOBGRVAAUHZ-AEGPPILISA-N 1 0 276.336 2.264 20 5 CEBDRO CC1(C)CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000232810262 807640135 /nfs/dbraw/zinc/64/01/35/807640135.db2.gz ZQBOEVGSXBMQKF-UHFFFAOYSA-N 1 0 271.267 2.061 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc2cc(F)cnc21 ZINC001234894234 807730295 /nfs/dbraw/zinc/73/02/95/807730295.db2.gz PXTUNWMFRALAIJ-SNVBAGLBSA-N 1 0 264.324 2.242 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000699780857 807842155 /nfs/dbraw/zinc/84/21/55/807842155.db2.gz CMDQMAQEKHLSPT-PRHODGIISA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789815 807845966 /nfs/dbraw/zinc/84/59/66/807845966.db2.gz QWEXXLJWERSWEE-KCJUWKMLSA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699841833 807869265 /nfs/dbraw/zinc/86/92/65/807869265.db2.gz AAHWCTQLWHCMRU-UFBFGSQYSA-N 1 0 270.716 2.373 20 5 CEBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001124056096 808073946 /nfs/dbraw/zinc/07/39/46/808073946.db2.gz FISPVERTHOWXTR-GFCCVEGCSA-N 1 0 293.367 2.445 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CC(=O)N(C)C1 ZINC001168724904 809146260 /nfs/dbraw/zinc/14/62/60/809146260.db2.gz CFJUVFVPNWIYLV-AWEZNQCLSA-N 1 0 290.431 2.173 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701042157 809383139 /nfs/dbraw/zinc/38/31/39/809383139.db2.gz MJYRNTQWALRMDI-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701042060 809383777 /nfs/dbraw/zinc/38/37/77/809383777.db2.gz LPBHUNYNCDNXGN-UWVGGRQHSA-N 1 0 297.742 2.104 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000701046227 809384035 /nfs/dbraw/zinc/38/40/35/809384035.db2.gz NODVULOOOBWAJT-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711703218 810093183 /nfs/dbraw/zinc/09/31/83/810093183.db2.gz PRZDXUXSIWSNMX-BXUZGUMPSA-N 1 0 262.309 2.184 20 5 CEBDRO [NH3+][C@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001164281765 810338489 /nfs/dbraw/zinc/33/84/89/810338489.db2.gz MHKHHUVLBCHKEU-ZETCQYMHSA-N 1 0 275.230 2.151 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC001122166356 815389555 /nfs/dbraw/zinc/38/95/55/815389555.db2.gz IXXIJUOETAWRNS-CYZMBNFOSA-N 1 0 291.351 2.290 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168769396 810719967 /nfs/dbraw/zinc/71/99/67/810719967.db2.gz QKDUEJXXISXRHM-UHFFFAOYSA-N 1 0 291.355 2.471 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC23CC(O)C3)c(Cl)c1 ZINC000725001163 811056673 /nfs/dbraw/zinc/05/66/73/811056673.db2.gz ZGEHQZSKWAKHMT-YXMLORGKSA-N 1 0 282.727 2.251 20 5 CEBDRO CSCC[C@H]([NH3+])CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511386 815420469 /nfs/dbraw/zinc/42/04/69/815420469.db2.gz OBVJERXIUVPJFC-JTQLQIEISA-N 1 0 297.380 2.312 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3[C@H]2O)C1 ZINC001168976767 811305031 /nfs/dbraw/zinc/30/50/31/811305031.db2.gz GHTGLAOXNMJHPN-SHPPOPEUSA-N 1 0 290.363 2.070 20 5 CEBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976697 811305134 /nfs/dbraw/zinc/30/51/34/811305134.db2.gz FEBAJRWKOPIAFY-SDDRHHMPSA-N 1 0 256.346 2.169 20 5 CEBDRO CC1(C)CC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)N1O ZINC001168976221 811305437 /nfs/dbraw/zinc/30/54/37/811305437.db2.gz ZSFONCLLDQIXLK-NWDGAFQWSA-N 1 0 299.415 2.432 20 5 CEBDRO Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977836 811306773 /nfs/dbraw/zinc/30/67/73/811306773.db2.gz MMXBAJZNTJFOEP-QWRGUYRKSA-N 1 0 267.304 2.064 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2cccnc2)C1 ZINC001168977038 811307137 /nfs/dbraw/zinc/30/71/37/811307137.db2.gz HEHQTRQCKDEGIK-KGLIPLIRSA-N 1 0 263.341 2.049 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168980619 811309012 /nfs/dbraw/zinc/30/90/12/811309012.db2.gz DZEXJRKGHZQWBZ-XDQVBPFNSA-N 1 0 298.383 2.143 20 5 CEBDRO COc1cc(F)ccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986167 811310149 /nfs/dbraw/zinc/31/01/49/811310149.db2.gz WWNJJBZZZKFYBC-GWCFXTLKSA-N 1 0 282.315 2.369 20 5 CEBDRO COc1cc(F)ccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986173 811310283 /nfs/dbraw/zinc/31/02/83/811310283.db2.gz WWNJJBZZZKFYBC-ZWNOBZJWSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001168984601 811311696 /nfs/dbraw/zinc/31/16/96/811311696.db2.gz OYZLHJLSLFQMDF-YPMHNXCESA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC001168955751 811312992 /nfs/dbraw/zinc/31/29/92/811312992.db2.gz BWFOEZCROZKQON-QWHCGFSZSA-N 1 0 264.325 2.100 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001168959643 811314851 /nfs/dbraw/zinc/31/48/51/811314851.db2.gz XSAPTFWZXAZLQI-AAEUAGOBSA-N 1 0 266.316 2.403 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966059 811317210 /nfs/dbraw/zinc/31/72/10/811317210.db2.gz GAODEFUOSKNYPV-IVZWLZJFSA-N 1 0 255.343 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC001168966356 811319171 /nfs/dbraw/zinc/31/91/71/811319171.db2.gz IGZLAZBXNMXOPV-NEPJUHHUSA-N 1 0 282.315 2.240 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168968392 811320418 /nfs/dbraw/zinc/32/04/18/811320418.db2.gz YPCIAQDVIDCMAN-UFBFGSQYSA-N 1 0 283.278 2.325 20 5 CEBDRO Cc1ccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974510 811323771 /nfs/dbraw/zinc/32/37/71/811323771.db2.gz RBNYSFJHQNBLID-HIFRSBDPSA-N 1 0 290.363 2.256 20 5 CEBDRO CC1(C)C[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001168994102 811325535 /nfs/dbraw/zinc/32/55/35/811325535.db2.gz PBLXNRUPHLQGQI-XQQFMLRXSA-N 1 0 270.373 2.227 20 5 CEBDRO COc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168996658 811325898 /nfs/dbraw/zinc/32/58/98/811325898.db2.gz WSQAADBMXOGLFM-CMPLNLGQSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C1 ZINC001168994617 811325970 /nfs/dbraw/zinc/32/59/70/811325970.db2.gz QKMJNTHILJAWBI-ZBFHGGJFSA-N 1 0 295.427 2.286 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2CC2CCC2)C1 ZINC001168997433 811327081 /nfs/dbraw/zinc/32/70/81/811327081.db2.gz ZJRYGOMGUMDXDZ-KBPBESRZSA-N 1 0 292.383 2.218 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001169000894 811328793 /nfs/dbraw/zinc/32/87/93/811328793.db2.gz ZCXJWZLYIOYLOA-NEPJUHHUSA-N 1 0 278.356 2.143 20 5 CEBDRO CCOC(=O)CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013749 811336411 /nfs/dbraw/zinc/33/64/11/811336411.db2.gz WDYQAKJFKMDZMD-ZIAGYGMSSA-N 1 0 298.383 2.097 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987260 811336584 /nfs/dbraw/zinc/33/65/84/811336584.db2.gz HSVMFNDPLRIYGB-VXGBXAGGSA-N 1 0 282.315 2.369 20 5 CEBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987224 811336678 /nfs/dbraw/zinc/33/66/78/811336678.db2.gz HQRMGNIODHAYDX-YWPYICTPSA-N 1 0 296.342 2.203 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1O ZINC001168988582 811338279 /nfs/dbraw/zinc/33/82/79/811338279.db2.gz SPOZLWKPHFIISM-CHWSQXEVSA-N 1 0 294.351 2.326 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1O ZINC001168988584 811338435 /nfs/dbraw/zinc/33/84/35/811338435.db2.gz SPOZLWKPHFIISM-QWHCGFSZSA-N 1 0 294.351 2.326 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)C1 ZINC001169030299 811344300 /nfs/dbraw/zinc/34/43/00/811344300.db2.gz YFRZYPIMZJAQMO-BPLDGKMQSA-N 1 0 275.352 2.316 20 5 CEBDRO C[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035803 811345996 /nfs/dbraw/zinc/34/59/96/811345996.db2.gz CJVSZTQVVCVOKC-GXTWGEPZSA-N 1 0 276.336 2.247 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035960 811347499 /nfs/dbraw/zinc/34/74/99/811347499.db2.gz MJOQWYHQKMQSBX-BXUZGUMPSA-N 1 0 276.336 2.456 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC001169024480 811354288 /nfs/dbraw/zinc/35/42/88/811354288.db2.gz HKOABEPZVCHCDH-MGPQQGTHSA-N 1 0 275.352 2.316 20 5 CEBDRO Cn1ccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169046754 811356912 /nfs/dbraw/zinc/35/69/12/811356912.db2.gz MNZADHALNGWKBQ-TZMCWYRMSA-N 1 0 292.383 2.045 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](C2CCC2)C2CCOCC2)C1 ZINC001169057433 811357994 /nfs/dbraw/zinc/35/79/94/811357994.db2.gz VGIURQUUSLAKBC-WFASDCNBSA-N 1 0 282.384 2.465 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NCC1OCCO1 ZINC001169067810 811361938 /nfs/dbraw/zinc/36/19/38/811361938.db2.gz VJOLPCDFPVNABG-UHFFFAOYSA-N 1 0 265.377 2.068 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001169234229 811449875 /nfs/dbraw/zinc/44/98/75/811449875.db2.gz VQCBWXQANKICDE-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)cc1F ZINC001169564147 811569853 /nfs/dbraw/zinc/56/98/53/811569853.db2.gz HJNBEWNHJLBXQF-SECBINFHSA-N 1 0 283.303 2.297 20 5 CEBDRO COc1cc(NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001169568224 811571044 /nfs/dbraw/zinc/57/10/44/811571044.db2.gz VJYULVXKADZTBF-LLVKDONJSA-N 1 0 279.340 2.466 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1cccnc1[N+](=O)[O-] ZINC001169719037 811642442 /nfs/dbraw/zinc/64/24/42/811642442.db2.gz ZNIHEAGENFICNX-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CC(C)(C)c1ccc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170045489 811999587 /nfs/dbraw/zinc/99/95/87/811999587.db2.gz VELUPFIUZMMCOB-GFCCVEGCSA-N 1 0 293.367 2.293 20 5 CEBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001123366050 815510607 /nfs/dbraw/zinc/51/06/07/815510607.db2.gz GGHHQZCUCXBOJP-LBPRGKRZSA-N 1 0 286.372 2.240 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC001170299596 812377340 /nfs/dbraw/zinc/37/73/40/812377340.db2.gz VDWSGZJFZQERFD-SMDDNHRTSA-N 1 0 296.367 2.141 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170308205 812392777 /nfs/dbraw/zinc/39/27/77/812392777.db2.gz MIHVQWIJERJRJT-VHRBIJSZSA-N 1 0 294.351 2.301 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(C[NH3+])cn1 ZINC001254536076 812476981 /nfs/dbraw/zinc/47/69/81/812476981.db2.gz AGVDMYTUJACGST-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnccn1)CC2 ZINC001172897832 815539512 /nfs/dbraw/zinc/53/95/12/815539512.db2.gz CCRDEUMOCYZGIQ-AWEZNQCLSA-N 1 0 298.346 2.422 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(O)CC1)CC2 ZINC001172908305 815540456 /nfs/dbraw/zinc/54/04/56/815540456.db2.gz LQKVCCHSWUQURK-AWEZNQCLSA-N 1 0 290.363 2.299 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H]3C[C@@H]31)CC2 ZINC001172919190 815544405 /nfs/dbraw/zinc/54/44/05/815544405.db2.gz FEBKXGSREWZQFA-VNQPRFMTSA-N 1 0 288.347 2.315 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158175065 812619091 /nfs/dbraw/zinc/61/90/91/812619091.db2.gz BJCSUFLPFRBZCR-RKDXNWHRSA-N 1 0 284.747 2.138 20 5 CEBDRO C[C@]1(C[NH3+])CCCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001158674694 812889629 /nfs/dbraw/zinc/88/96/29/812889629.db2.gz AQEQEYUNBKRUQZ-GFCCVEGCSA-N 1 0 284.747 2.208 20 5 CEBDRO Cc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001124126377 815599647 /nfs/dbraw/zinc/59/96/47/815599647.db2.gz LULDZFBSPLMXJN-CYBMUJFWSA-N 1 0 279.340 2.428 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)nc1NC[C@H]1CCCC[NH2+]1 ZINC001171333459 814586178 /nfs/dbraw/zinc/58/61/78/814586178.db2.gz DFMCUYCTAXIUDW-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]C2)cc1 ZINC000697067299 814644596 /nfs/dbraw/zinc/64/45/96/814644596.db2.gz YPHWNMBSJOXQLE-NSHDSACASA-N 1 0 250.298 2.363 20 5 CEBDRO COc1ccc(CNCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000697936424 814653807 /nfs/dbraw/zinc/65/38/07/814653807.db2.gz NYCGPQZBBGKPEA-NSHDSACASA-N 1 0 281.356 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCO)CC2)cc1F ZINC000401157939 814721471 /nfs/dbraw/zinc/72/14/71/814721471.db2.gz YYQWSXLATWQNCI-UHFFFAOYSA-N 1 0 282.315 2.328 20 5 CEBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000712581561 814752780 /nfs/dbraw/zinc/75/27/80/814752780.db2.gz NAIPFXZHTKZXBG-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000712565728 814767054 /nfs/dbraw/zinc/76/70/54/814767054.db2.gz QVCAQVMOHQGYDU-UONOGXRCSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001173221252 815626011 /nfs/dbraw/zinc/62/60/11/815626011.db2.gz GQTPFPISQUMKKL-LALPHHSUSA-N 1 0 278.352 2.229 20 5 CEBDRO CC(=O)NCCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222191 815627206 /nfs/dbraw/zinc/62/72/06/815627206.db2.gz UZZHYXDGPRILLF-LBPRGKRZSA-N 1 0 293.367 2.032 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001173223593 815627975 /nfs/dbraw/zinc/62/79/75/815627975.db2.gz BHVBQAFOUIGHIO-ZOWXZIJZSA-N 1 0 278.352 2.229 20 5 CEBDRO COCC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224370 815628162 /nfs/dbraw/zinc/62/81/62/815628162.db2.gz FFZBWBJCZPILNL-LLVKDONJSA-N 1 0 252.314 2.104 20 5 CEBDRO CC[N@H+](CCOC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226180 815629626 /nfs/dbraw/zinc/62/96/26/815629626.db2.gz LEOLTQOHBPWQGM-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC001173225114 815629775 /nfs/dbraw/zinc/62/97/75/815629775.db2.gz BLKHJZNRHVHVNE-ZDUSSCGKSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC001173228459 815631411 /nfs/dbraw/zinc/63/14/11/815631411.db2.gz XEOIFPFTGUVUKF-CJNGLKHVSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)([NH+](C)C)C1 ZINC001173234909 815634337 /nfs/dbraw/zinc/63/43/37/815634337.db2.gz UNDDMZHJHLIFIQ-GFCCVEGCSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ncccn1 ZINC001173236235 815635605 /nfs/dbraw/zinc/63/56/05/815635605.db2.gz ZBHLBTARHBHGEN-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1C[NH3+] ZINC001173212193 815635922 /nfs/dbraw/zinc/63/59/22/815635922.db2.gz XBFXUTWUKJVAKC-JTQLQIEISA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC1 ZINC001173214834 815637008 /nfs/dbraw/zinc/63/70/08/815637008.db2.gz QTJMZCJQUKCEST-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO CN(c1cc(N)cc[nH+]1)c1cc([N+](=O)[O-])ccc1F ZINC001175735111 816271588 /nfs/dbraw/zinc/27/15/88/816271588.db2.gz ISSAKQOSPCGSDA-UHFFFAOYSA-N 1 0 262.244 2.479 20 5 CEBDRO Cn1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001178326138 816727044 /nfs/dbraw/zinc/72/70/44/816727044.db2.gz BEWHRXMXMJTFNF-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000567619336 299067087 /nfs/dbraw/zinc/06/70/87/299067087.db2.gz SLMDZIWYQPPGSR-UHFFFAOYSA-N 1 0 278.308 2.089 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160292 282125359 /nfs/dbraw/zinc/12/53/59/282125359.db2.gz LHUIJYNNYKUFBQ-WCQYABFASA-N 1 0 298.408 2.229 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125202044 187174315 /nfs/dbraw/zinc/17/43/15/187174315.db2.gz GMPIXKYLOVMLSO-GXTWGEPZSA-N 1 0 294.351 2.066 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601325028 346821420 /nfs/dbraw/zinc/82/14/20/346821420.db2.gz XLTRUMQYOGRMTB-ZDUSSCGKSA-N 1 0 263.341 2.298 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCCC[C@@H]([NH3+])C1 ZINC000601324500 346821596 /nfs/dbraw/zinc/82/15/96/346821596.db2.gz PBHMBJOHEJEURL-CYBMUJFWSA-N 1 0 293.367 2.307 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335245 346823576 /nfs/dbraw/zinc/82/35/76/346823576.db2.gz RYHQZVZALRYJSQ-RISCZKNCSA-N 1 0 293.342 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(F)c1 ZINC000601334457 346823696 /nfs/dbraw/zinc/82/36/96/346823696.db2.gz KUDNFLKUNQBCDN-ABAIWWIYSA-N 1 0 293.342 2.308 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000125346075 187180630 /nfs/dbraw/zinc/18/06/30/187180630.db2.gz JZTLNEQDEOUHIG-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601540073 346847113 /nfs/dbraw/zinc/84/71/13/346847113.db2.gz ONGCIFTXFULDAW-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCCn2ccnc2)cs1 ZINC000037562689 361903231 /nfs/dbraw/zinc/90/32/31/361903231.db2.gz UUUSBQVPPAMOLZ-UHFFFAOYSA-N 1 0 266.326 2.033 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125447021 187185500 /nfs/dbraw/zinc/18/55/00/187185500.db2.gz KQMSZWWTZBDTBT-WYRIXSBYSA-N 1 0 284.381 2.150 20 5 CEBDRO Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000080611260 344016873 /nfs/dbraw/zinc/01/68/73/344016873.db2.gz QOGFOQHQRXTRBS-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415251748 529565018 /nfs/dbraw/zinc/56/50/18/529565018.db2.gz AEHHMKOCSMCJTB-SNVBAGLBSA-N 1 0 280.328 2.070 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027270896 343392287 /nfs/dbraw/zinc/39/22/87/343392287.db2.gz VXVUFYBMOZJZIO-CYBMUJFWSA-N 1 0 291.351 2.458 20 5 CEBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449483513 282254449 /nfs/dbraw/zinc/25/44/49/282254449.db2.gz JCTLETOGJJPTLS-ZJUUUORDSA-N 1 0 280.324 2.445 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449507324 282262959 /nfs/dbraw/zinc/26/29/59/282262959.db2.gz LVTJPILQLJUPSS-GOEBONIOSA-N 1 0 290.363 2.482 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041926615 343444526 /nfs/dbraw/zinc/44/45/26/343444526.db2.gz WIOHTKBLKLWAEN-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000044990926 343479055 /nfs/dbraw/zinc/47/90/55/343479055.db2.gz SHGCJAVAIOOICY-UHFFFAOYSA-N 1 0 277.280 2.060 20 5 CEBDRO Cc1ccc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000449516497 282268988 /nfs/dbraw/zinc/26/89/88/282268988.db2.gz GKGLZCNMJVFJAM-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000047142638 343511818 /nfs/dbraw/zinc/51/18/18/343511818.db2.gz BKARGOYFLFFZBH-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO CC(C)CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051451236 343551049 /nfs/dbraw/zinc/55/10/49/343551049.db2.gz QWMPDGZXIOTCPT-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601974899 346947908 /nfs/dbraw/zinc/94/79/08/346947908.db2.gz XCSHXBGMRAOBGV-HIFRSBDPSA-N 1 0 275.352 2.135 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)O ZINC000295060226 199324037 /nfs/dbraw/zinc/32/40/37/199324037.db2.gz BUNUEDLLKNECMK-SECBINFHSA-N 1 0 270.304 2.325 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000601985819 346950518 /nfs/dbraw/zinc/95/05/18/346950518.db2.gz ZAONMJSTMKWADD-SECBINFHSA-N 1 0 298.774 2.255 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000060375363 343657502 /nfs/dbraw/zinc/65/75/02/343657502.db2.gz JSNAMDCFAZJBCL-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000066137774 343708333 /nfs/dbraw/zinc/70/83/33/343708333.db2.gz HTFGQAFEXZVJSB-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO COCCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000066378575 343712637 /nfs/dbraw/zinc/71/26/37/343712637.db2.gz BPIQJNOFFUHSJB-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccncc2[N+](=O)[O-])C1 ZINC000066808978 343722263 /nfs/dbraw/zinc/72/22/63/343722263.db2.gz YCZIEZZTRDEFRM-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000128069616 187349639 /nfs/dbraw/zinc/34/96/39/187349639.db2.gz XKTKCEJEFRBSGB-LLVKDONJSA-N 1 0 292.314 2.324 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128089252 187350400 /nfs/dbraw/zinc/35/04/00/187350400.db2.gz DNFRDHWUINFVMR-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449601998 282300287 /nfs/dbraw/zinc/30/02/87/282300287.db2.gz NYMWSZBPZOURLV-YTRUQHMWSA-N 1 0 291.351 2.112 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449601996 282300394 /nfs/dbraw/zinc/30/03/94/282300394.db2.gz NYMWSZBPZOURLV-SEVUFMINSA-N 1 0 291.351 2.112 20 5 CEBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000602160201 346984615 /nfs/dbraw/zinc/98/46/15/346984615.db2.gz LQEAKZHABZFUTG-SNVBAGLBSA-N 1 0 294.355 2.304 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000602170377 346986683 /nfs/dbraw/zinc/98/66/83/346986683.db2.gz JGENKBNJMCGMIS-ZJUUUORDSA-N 1 0 297.380 2.115 20 5 CEBDRO CCO[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076403495 343889605 /nfs/dbraw/zinc/88/96/05/343889605.db2.gz KSURZMWHENJDKC-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000077994908 343939038 /nfs/dbraw/zinc/93/90/38/343939038.db2.gz ZMZXKHNFDSWYCB-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cnc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078658339 343960340 /nfs/dbraw/zinc/96/03/40/343960340.db2.gz QRWTVRQAKYKHJP-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1(C[NH3+])CCC1 ZINC000449666553 282323613 /nfs/dbraw/zinc/32/36/13/282323613.db2.gz HLDQIWIKNUOFSF-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602456645 347041519 /nfs/dbraw/zinc/04/15/19/347041519.db2.gz BQCUDWPJXQPZFJ-CYBMUJFWSA-N 1 0 293.367 2.017 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000122539915 344306965 /nfs/dbraw/zinc/30/69/65/344306965.db2.gz HPHACINPMASUNY-SECBINFHSA-N 1 0 254.261 2.112 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000122623764 344307028 /nfs/dbraw/zinc/30/70/28/344307028.db2.gz PPAZUQMLVYZEKJ-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CO ZINC000151740561 344422983 /nfs/dbraw/zinc/42/29/83/344422983.db2.gz UHKFUFBMZZEDLH-KOLCDFICSA-N 1 0 252.314 2.182 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475380 347049719 /nfs/dbraw/zinc/04/97/19/347049719.db2.gz VOOGZUQBYRSKDB-GHMZBOCLSA-N 1 0 266.345 2.339 20 5 CEBDRO CCCO[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602475670 347049728 /nfs/dbraw/zinc/04/97/28/347049728.db2.gz QINLMUVETXDYMJ-ZDUSSCGKSA-N 1 0 296.371 2.109 20 5 CEBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484077 344398374 /nfs/dbraw/zinc/39/83/74/344398374.db2.gz QKONOSBDUSCMSB-ZDUSSCGKSA-N 1 0 291.351 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000156202636 344441462 /nfs/dbraw/zinc/44/14/62/344441462.db2.gz NJZAEMZQLHRKIH-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000157012183 344444965 /nfs/dbraw/zinc/44/49/65/344444965.db2.gz NFWLFFYQWDWEBE-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[N@H+](CCC(=O)OC)CCc1ccc([N+](=O)[O-])cc1 ZINC000050055046 362394409 /nfs/dbraw/zinc/39/44/09/362394409.db2.gz JUWDPNCCCJCVIJ-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO COc1ccc(C[N@H+](CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000050106614 362402203 /nfs/dbraw/zinc/40/22/03/362402203.db2.gz SMMWZBJUYHMNGI-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000602501868 347059150 /nfs/dbraw/zinc/05/91/50/347059150.db2.gz USWZPHGJGKRYGP-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO Cc1c(CNC(=O)[C@H]([NH3+])CCC(C)C)cccc1[N+](=O)[O-] ZINC000602499159 347058474 /nfs/dbraw/zinc/05/84/74/347058474.db2.gz NNNGGAWYNGPAPP-CYBMUJFWSA-N 1 0 293.367 2.283 20 5 CEBDRO CCc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237140260 344600395 /nfs/dbraw/zinc/60/03/95/344600395.db2.gz RNECMYUMOWAMIB-CYBMUJFWSA-N 1 0 291.351 2.029 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000053047432 362478663 /nfs/dbraw/zinc/47/86/63/362478663.db2.gz FFYSQLZCVPPFKW-UHFFFAOYSA-N 1 0 252.314 2.236 20 5 CEBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270854007 344666609 /nfs/dbraw/zinc/66/66/09/344666609.db2.gz HECNASPFVUIOMW-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[NH+]1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000311672995 344735221 /nfs/dbraw/zinc/73/52/21/344735221.db2.gz LYSLZBLPLKPOGJ-UHFFFAOYSA-N 1 0 284.747 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000293022453 344690233 /nfs/dbraw/zinc/69/02/33/344690233.db2.gz FNABPGFUEKVJGF-AWEZNQCLSA-N 1 0 278.352 2.232 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293104617 344690887 /nfs/dbraw/zinc/69/08/87/344690887.db2.gz LIEJKEQDADJMDK-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC(n2cccn2)C1 ZINC000602555877 347075125 /nfs/dbraw/zinc/07/51/25/347075125.db2.gz CLSKNBHVRNWAKE-UHFFFAOYSA-N 1 0 286.335 2.327 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555449 347075176 /nfs/dbraw/zinc/07/51/76/347075176.db2.gz QZUUVXFHBRXTAQ-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCC[C@H]1CCO1 ZINC000602556394 347075395 /nfs/dbraw/zinc/07/53/95/347075395.db2.gz FKGHPPDWMJAJDA-ZDUSSCGKSA-N 1 0 264.325 2.296 20 5 CEBDRO C[NH+](C)C1(CNc2ncc(F)cc2[N+](=O)[O-])CCC1 ZINC000401162655 344867201 /nfs/dbraw/zinc/86/72/01/344867201.db2.gz MKTKNEWNYMUOKB-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000404563972 344881397 /nfs/dbraw/zinc/88/13/97/344881397.db2.gz YXBFUPDJEZQPLB-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO C[C@H](F)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195019 345120672 /nfs/dbraw/zinc/12/06/72/345120672.db2.gz QSCCGPRUYQIAEB-VIFPVBQESA-N 1 0 284.287 2.204 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000590702024 345163838 /nfs/dbraw/zinc/16/38/38/345163838.db2.gz NSURPFLXRNBJEH-ZDUSSCGKSA-N 1 0 293.367 2.162 20 5 CEBDRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000590404115 345134034 /nfs/dbraw/zinc/13/40/34/345134034.db2.gz UPIYKYUDQYTAOV-FZMZJTMJSA-N 1 0 291.351 2.068 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000590657127 345155800 /nfs/dbraw/zinc/15/58/00/345155800.db2.gz DLUIUDZETCEMIU-YPMHNXCESA-N 1 0 296.298 2.165 20 5 CEBDRO C[N@H+](CCCCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000591166398 345227241 /nfs/dbraw/zinc/22/72/41/345227241.db2.gz LNRZGYXSEWGPBD-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[NH2+]CC1 ZINC000591278458 345236847 /nfs/dbraw/zinc/23/68/47/345236847.db2.gz DMDXDZLMNBCGIJ-CYBMUJFWSA-N 1 0 293.367 2.225 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591436868 345253565 /nfs/dbraw/zinc/25/35/65/345253565.db2.gz BZISXBKHBMIPJI-WCQYABFASA-N 1 0 291.351 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000591451246 345257802 /nfs/dbraw/zinc/25/78/02/345257802.db2.gz QYRQAZGFCPUYGJ-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000591579987 345266814 /nfs/dbraw/zinc/26/68/14/345266814.db2.gz DGKQLHSNRLUVEZ-SLEUVZQESA-N 1 0 293.342 2.262 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2C2CCC2)n1 ZINC000592197615 345336140 /nfs/dbraw/zinc/33/61/40/345336140.db2.gz GALGGNGRGPVAPU-CYBMUJFWSA-N 1 0 278.356 2.446 20 5 CEBDRO CC1(C)C[NH2+]CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592427714 345352234 /nfs/dbraw/zinc/35/22/34/345352234.db2.gz SZSCJAHARWHSKJ-ALCCZGGFSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000592466765 345357184 /nfs/dbraw/zinc/35/71/84/345357184.db2.gz YONBSILAXQZLAU-LBPRGKRZSA-N 1 0 290.367 2.423 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000593188225 345450875 /nfs/dbraw/zinc/45/08/75/345450875.db2.gz ZALQNFVSFXXXKM-TUAOUCFPSA-N 1 0 291.351 2.148 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127437423 187306088 /nfs/dbraw/zinc/30/60/88/187306088.db2.gz SDVCRLJDUOPGGO-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593722028 345527393 /nfs/dbraw/zinc/52/73/93/345527393.db2.gz GMUDOPXUXJFZIP-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339107641 214957001 /nfs/dbraw/zinc/95/70/01/214957001.db2.gz NEWBYGJTOIDXIM-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594514525 345641472 /nfs/dbraw/zinc/64/14/72/345641472.db2.gz KKXCFMRCFFGUCO-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594653041 345667624 /nfs/dbraw/zinc/66/76/24/345667624.db2.gz XHAPYUBBZOCSDE-CYBMUJFWSA-N 1 0 289.339 2.281 20 5 CEBDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594717935 345678791 /nfs/dbraw/zinc/67/87/91/345678791.db2.gz IGDKPMYZRVDKJI-TZMCWYRMSA-N 1 0 296.367 2.360 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000595311915 345760023 /nfs/dbraw/zinc/76/00/23/345760023.db2.gz JLPAXOUYFPPBTP-SNVBAGLBSA-N 1 0 270.304 2.325 20 5 CEBDRO Cc1c[nH]c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000594952953 345714343 /nfs/dbraw/zinc/71/43/43/345714343.db2.gz FPOJUZRPPBOTAI-UHFFFAOYSA-N 1 0 299.334 2.440 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000594974411 345720255 /nfs/dbraw/zinc/72/02/55/345720255.db2.gz KALWEWAWTNLKGA-LBPRGKRZSA-N 1 0 262.309 2.396 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000273938126 192370743 /nfs/dbraw/zinc/37/07/43/192370743.db2.gz CVTHTQZSTYHQLH-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000595017710 345728283 /nfs/dbraw/zinc/72/82/83/345728283.db2.gz NDJVENSLNUIFOF-VXGBXAGGSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)O ZINC000595033696 345731580 /nfs/dbraw/zinc/73/15/80/345731580.db2.gz RZKPKSZDYPGNAM-DCAQKATOSA-N 1 0 282.340 2.413 20 5 CEBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000595421987 345778003 /nfs/dbraw/zinc/77/80/03/345778003.db2.gz DELKAEOZVYYBGY-LLVKDONJSA-N 1 0 283.328 2.186 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504540 345797634 /nfs/dbraw/zinc/79/76/34/345797634.db2.gz FOSVYWIDCKNLED-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1COCCO1 ZINC000595742194 345864424 /nfs/dbraw/zinc/86/44/24/345864424.db2.gz PEBHLHRSZRXHLA-NEPJUHHUSA-N 1 0 280.324 2.003 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595615484 345827673 /nfs/dbraw/zinc/82/76/73/345827673.db2.gz HJRVILJXEBYVRO-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(F)c1 ZINC000595827005 345887023 /nfs/dbraw/zinc/88/70/23/345887023.db2.gz BVUNYYABPOEMLP-RYUDHWBXSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(F)c1 ZINC000595827004 345887400 /nfs/dbraw/zinc/88/74/00/345887400.db2.gz BVUNYYABPOEMLP-NWDGAFQWSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595829374 345888631 /nfs/dbraw/zinc/88/86/31/345888631.db2.gz HJAQJOHZDGSILA-CHWSQXEVSA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595835060 345891560 /nfs/dbraw/zinc/89/15/60/345891560.db2.gz UJIREJGUBSROEL-KGLIPLIRSA-N 1 0 276.336 2.372 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595754218 345867411 /nfs/dbraw/zinc/86/74/11/345867411.db2.gz XBCCDWMNDFWBQP-UHFFFAOYSA-N 1 0 276.336 2.416 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595765428 345870636 /nfs/dbraw/zinc/87/06/36/345870636.db2.gz KYMZAKJZPJTFLG-VHRBIJSZSA-N 1 0 262.309 2.113 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595766503 345870806 /nfs/dbraw/zinc/87/08/06/345870806.db2.gz WXOOBNVUYUEXGA-AWEZNQCLSA-N 1 0 291.351 2.336 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595782433 345875054 /nfs/dbraw/zinc/87/50/54/345875054.db2.gz ZUGHONWCVWSZFP-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595785207 345876172 /nfs/dbraw/zinc/87/61/72/345876172.db2.gz XAXLJGQBPHEKBY-CHWSQXEVSA-N 1 0 293.367 2.267 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595811607 345882158 /nfs/dbraw/zinc/88/21/58/345882158.db2.gz VVQVBLBQBMMCQQ-RYUDHWBXSA-N 1 0 289.335 2.265 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812697 345882754 /nfs/dbraw/zinc/88/27/54/345882754.db2.gz YMMLMDJLKMJACT-WOPDTQHZSA-N 1 0 289.335 2.264 20 5 CEBDRO CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595917194 345912740 /nfs/dbraw/zinc/91/27/40/345912740.db2.gz XYUIIFSOTMWMHM-UHFFFAOYSA-N 1 0 289.335 2.408 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595929369 345914365 /nfs/dbraw/zinc/91/43/65/345914365.db2.gz SQKGNBAZDPRNBA-JOCQHMNTSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC2(CC[NH2+]C2)CC1 ZINC000596012905 345923128 /nfs/dbraw/zinc/92/31/28/345923128.db2.gz CFEMCSYSXHDFEY-UHFFFAOYSA-N 1 0 291.351 2.183 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596086220 345936655 /nfs/dbraw/zinc/93/66/55/345936655.db2.gz WIBJGHRNRCUACC-WDEREUQCSA-N 1 0 294.355 2.228 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596090270 345937154 /nfs/dbraw/zinc/93/71/54/345937154.db2.gz ANBWUKOKIOCITJ-JTQLQIEISA-N 1 0 277.324 2.252 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH+](C)C ZINC000596427930 346020762 /nfs/dbraw/zinc/02/07/62/346020762.db2.gz CHTQCBQYUFMOGC-LLVKDONJSA-N 1 0 281.356 2.493 20 5 CEBDRO CCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596517566 346044554 /nfs/dbraw/zinc/04/45/54/346044554.db2.gz OTFOPCTVWBGASL-VIFPVBQESA-N 1 0 268.292 2.025 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000596654535 346072797 /nfs/dbraw/zinc/07/27/97/346072797.db2.gz PYZFJRFKPFXAIE-GHMZBOCLSA-N 1 0 281.356 2.252 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654006 346072864 /nfs/dbraw/zinc/07/28/64/346072864.db2.gz NJMRREUFFALWLC-GXSJLCMTSA-N 1 0 251.330 2.162 20 5 CEBDRO CC[C@@H](N[C@@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655722 346073555 /nfs/dbraw/zinc/07/35/55/346073555.db2.gz XSOCIKHYEOKCBY-GXFFZTMASA-N 1 0 251.330 2.243 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597061062 346123048 /nfs/dbraw/zinc/12/30/48/346123048.db2.gz JFCVJNLIXQYKHU-ZFWWWQNUSA-N 1 0 276.336 2.294 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC3(COC3)C2)cc1[N+](=O)[O-] ZINC000597231476 346156033 /nfs/dbraw/zinc/15/60/33/346156033.db2.gz XVEBSIWOJYWNDW-UHFFFAOYSA-N 1 0 262.309 2.126 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCCN1C ZINC000597665686 346212606 /nfs/dbraw/zinc/21/26/06/346212606.db2.gz DXQXRDLOXAUYQX-GFCCVEGCSA-N 1 0 277.324 2.244 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597858139 346239836 /nfs/dbraw/zinc/23/98/36/346239836.db2.gz KGHZYACSYLWTIZ-NSHDSACASA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000598001001 346266278 /nfs/dbraw/zinc/26/62/78/346266278.db2.gz WWAYZQACCVVVST-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598041234 346274537 /nfs/dbraw/zinc/27/45/37/346274537.db2.gz JYVNWCDSHJBFQD-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000598343464 346331742 /nfs/dbraw/zinc/33/17/42/346331742.db2.gz VXFAURJRGJZEEO-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676752 346398198 /nfs/dbraw/zinc/39/81/98/346398198.db2.gz KEFWSCZSXZKNTM-SMDDNHRTSA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598718653 346406981 /nfs/dbraw/zinc/40/69/81/346406981.db2.gz LWDKAGRQGUKSHS-DZGCQCFKSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644994 346391533 /nfs/dbraw/zinc/39/15/33/346391533.db2.gz CMHPRKPJTKUYPF-DGCLKSJQSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062856226 362725411 /nfs/dbraw/zinc/72/54/11/362725411.db2.gz PTAQGNFKTNIAFK-NHYWBVRUSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599015429 346445855 /nfs/dbraw/zinc/44/58/55/346445855.db2.gz YMDTVLBOROSREZ-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[NH+](C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599013334 346446340 /nfs/dbraw/zinc/44/63/40/346446340.db2.gz IBYPGGONSZRNSF-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000599084517 346457921 /nfs/dbraw/zinc/45/79/21/346457921.db2.gz TUDWDHBLCUJHJY-JYAVWHMHSA-N 1 0 298.346 2.139 20 5 CEBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000599098692 346460334 /nfs/dbraw/zinc/46/03/34/346460334.db2.gz YFUHUXYIHNCVPS-UHFFFAOYSA-N 1 0 283.376 2.310 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599606963 346545390 /nfs/dbraw/zinc/54/53/90/346545390.db2.gz SFBFOQCSKWLOMB-WDEREUQCSA-N 1 0 292.339 2.084 20 5 CEBDRO C/C=C/C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599691946 346568324 /nfs/dbraw/zinc/56/83/24/346568324.db2.gz VEKQUKLTPJRIIQ-IBUXWKBASA-N 1 0 278.356 2.470 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000600883748 346703941 /nfs/dbraw/zinc/70/39/41/346703941.db2.gz AQZVWIWPVMXRCV-ONGXEEELSA-N 1 0 296.758 2.222 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000601111683 346756155 /nfs/dbraw/zinc/75/61/55/346756155.db2.gz XUHFGTYJZLYUEE-JTQLQIEISA-N 1 0 285.369 2.179 20 5 CEBDRO CC[NH+](CC)CCOCCNc1ccsc1[N+](=O)[O-] ZINC000601142761 346768565 /nfs/dbraw/zinc/76/85/65/346768565.db2.gz ZMRLMYIFHZTNRB-UHFFFAOYSA-N 1 0 287.385 2.427 20 5 CEBDRO C[C@H]1COCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170398 346776437 /nfs/dbraw/zinc/77/64/37/346776437.db2.gz QRUZWRANRIAHOM-JTQLQIEISA-N 1 0 273.292 2.368 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000336818074 365863067 /nfs/dbraw/zinc/86/30/67/365863067.db2.gz TWMTYTWOFYRCML-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602677100 347139147 /nfs/dbraw/zinc/13/91/47/347139147.db2.gz SFPVURCCKPWICV-VXGBXAGGSA-N 1 0 278.356 2.339 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798247 347202569 /nfs/dbraw/zinc/20/25/69/347202569.db2.gz NIPKEDZKDJWATB-JQWIXIFHSA-N 1 0 266.345 2.363 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798253 347203185 /nfs/dbraw/zinc/20/31/85/347203185.db2.gz NIPKEDZKDJWATB-PWSUYJOCSA-N 1 0 266.345 2.363 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602744076 347182824 /nfs/dbraw/zinc/18/28/24/347182824.db2.gz OERLUWAGXPMUOU-KCJUWKMLSA-N 1 0 292.257 2.039 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000602916653 347246349 /nfs/dbraw/zinc/24/63/49/347246349.db2.gz PEVLFUSFTWVTPT-NEPJUHHUSA-N 1 0 296.396 2.070 20 5 CEBDRO CCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965922 347258407 /nfs/dbraw/zinc/25/84/07/347258407.db2.gz RHXRHXRRNXPKMN-ZDUSSCGKSA-N 1 0 252.314 2.192 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000603399978 347358842 /nfs/dbraw/zinc/35/88/42/347358842.db2.gz GCRWTQCOCATDNW-QWRGUYRKSA-N 1 0 295.387 2.260 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000085985267 179211255 /nfs/dbraw/zinc/21/12/55/179211255.db2.gz NGBUOXQQGUFQKD-GXTWGEPZSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000603864292 347393308 /nfs/dbraw/zinc/39/33/08/347393308.db2.gz XJKHKKZLQUWDRN-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000604552487 347421940 /nfs/dbraw/zinc/42/19/40/347421940.db2.gz RKHYABSEABCFJC-VIFPVBQESA-N 1 0 297.380 2.116 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000609851251 347653112 /nfs/dbraw/zinc/65/31/12/347653112.db2.gz ZEJIHYRYMVHQFD-LLVKDONJSA-N 1 0 297.380 2.261 20 5 CEBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610479262 347683379 /nfs/dbraw/zinc/68/33/79/347683379.db2.gz LAHHEKIBYIWJMR-UHFFFAOYSA-N 1 0 299.396 2.203 20 5 CEBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000610571745 347692675 /nfs/dbraw/zinc/69/26/75/347692675.db2.gz GMCQQGMATCXNCC-CYBMUJFWSA-N 1 0 284.743 2.451 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000611091785 347739017 /nfs/dbraw/zinc/73/90/17/347739017.db2.gz NVOZMGJCQFFELQ-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])ncn1 ZINC000611134727 347742924 /nfs/dbraw/zinc/74/29/24/347742924.db2.gz GAPKMMYMCUDVNI-XQRVVYSFSA-N 1 0 284.319 2.496 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)CO ZINC000611235462 347754593 /nfs/dbraw/zinc/75/45/93/347754593.db2.gz BMXOMLFPAYPWGJ-LBPRGKRZSA-N 1 0 266.341 2.434 20 5 CEBDRO COc1ccc(C[N@H+](C)CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000611268088 347761336 /nfs/dbraw/zinc/76/13/36/347761336.db2.gz HYMFXXUYRIIJHO-UHFFFAOYSA-N 1 0 292.335 2.382 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C1CC1 ZINC000611785752 347816831 /nfs/dbraw/zinc/81/68/31/347816831.db2.gz ZAIRLHORKMPVFL-ZDUSSCGKSA-N 1 0 284.743 2.451 20 5 CEBDRO COc1cc(CN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000351971629 219271823 /nfs/dbraw/zinc/27/18/23/219271823.db2.gz VEXNGKGCKTUXCI-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252621 348658329 /nfs/dbraw/zinc/65/83/29/348658329.db2.gz WPJOWUZQGSGUCV-LKFCYVNXSA-N 1 0 291.307 2.393 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000339574588 215250836 /nfs/dbraw/zinc/25/08/36/215250836.db2.gz PPJWYQUSSOVVOJ-GHMZBOCLSA-N 1 0 277.324 2.264 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617295 215271395 /nfs/dbraw/zinc/27/13/95/215271395.db2.gz ROIWIORMXQRKBI-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000619844967 349239471 /nfs/dbraw/zinc/23/94/71/349239471.db2.gz GYOMLDBPDDNKOV-SNVBAGLBSA-N 1 0 254.334 2.063 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000619785406 349236815 /nfs/dbraw/zinc/23/68/15/349236815.db2.gz GLJATJFJCBTBSG-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCN(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000619823378 349238043 /nfs/dbraw/zinc/23/80/43/349238043.db2.gz YQDTZMMZWUQRBP-ZIAGYGMSSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090553957 180002684 /nfs/dbraw/zinc/00/26/84/180002684.db2.gz VZRBTBUUDWVWCH-UHFFFAOYSA-N 1 0 293.367 2.410 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691981 180024912 /nfs/dbraw/zinc/02/49/12/180024912.db2.gz BRQJWQUTRJSBHW-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cnc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692625 180025555 /nfs/dbraw/zinc/02/55/55/180025555.db2.gz YSTJOOWVUKWMLX-LLVKDONJSA-N 1 0 264.329 2.100 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847940 180044189 /nfs/dbraw/zinc/04/41/89/180044189.db2.gz XHZBROFGIDSXBJ-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000412062969 233326792 /nfs/dbraw/zinc/32/67/92/233326792.db2.gz AWZMQLURJQANOF-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071897 233329861 /nfs/dbraw/zinc/32/98/61/233329861.db2.gz HAEHHVABVCVDIE-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412095724 233337956 /nfs/dbraw/zinc/33/79/56/233337956.db2.gz TYHRPOSGXRYLRP-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108433501 186216419 /nfs/dbraw/zinc/21/64/19/186216419.db2.gz KCHCXMJWIIKBMW-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[NH3+] ZINC000109504831 186257722 /nfs/dbraw/zinc/25/77/22/186257722.db2.gz MGCBMETYNLDRNM-SFYZADRCSA-N 1 0 262.269 2.096 20 5 CEBDRO CC[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504863 186257768 /nfs/dbraw/zinc/25/77/68/186257768.db2.gz DWNRCLYLEQWMFU-QMMMGPOBSA-N 1 0 262.269 2.315 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000109705474 186268640 /nfs/dbraw/zinc/26/86/40/186268640.db2.gz IZXKISDZTOFTRX-OQHXTRMZSA-N 1 0 291.351 2.098 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109805274 186273282 /nfs/dbraw/zinc/27/32/82/186273282.db2.gz LUKGBLNBQNPPKF-CQSZACIVSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111255065 186379222 /nfs/dbraw/zinc/37/92/22/186379222.db2.gz ZDEZIZHVVVYTQP-OCCSQVGLSA-N 1 0 296.367 2.312 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070173258 363046956 /nfs/dbraw/zinc/04/69/56/363046956.db2.gz QQPNKTACXGNCOF-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131201325 366029618 /nfs/dbraw/zinc/02/96/18/366029618.db2.gz MJEKYZMSVIYCCA-WCQYABFASA-N 1 0 250.298 2.424 20 5 CEBDRO CC[NH+](CC)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070495771 363090883 /nfs/dbraw/zinc/09/08/83/363090883.db2.gz RJOJNBMLMLYVDD-UHFFFAOYSA-N 1 0 252.318 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccncc3)C2)nc1 ZINC000122266282 187023612 /nfs/dbraw/zinc/02/36/12/187023612.db2.gz SFMMXHZYSLIHQU-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123884089 187113383 /nfs/dbraw/zinc/11/33/83/187113383.db2.gz POXBANQKOHYVHT-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000072560318 363145879 /nfs/dbraw/zinc/14/58/79/363145879.db2.gz VVPXZQGQTTTYEN-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535152 191198923 /nfs/dbraw/zinc/19/89/23/191198923.db2.gz SPVGHQNZABCYJA-WCQYABFASA-N 1 0 291.351 2.255 20 5 CEBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494207159 290961120 /nfs/dbraw/zinc/96/11/20/290961120.db2.gz BMDJKGMQFUPOTK-QMTHXVAHSA-N 1 0 280.324 2.261 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292133805 198176374 /nfs/dbraw/zinc/17/63/74/198176374.db2.gz RUZODLKSBVIBSK-LLVKDONJSA-N 1 0 293.367 2.405 20 5 CEBDRO COCC[N@H+](C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780153 188103905 /nfs/dbraw/zinc/10/39/05/188103905.db2.gz OLJURTHRKFVGFW-ZDUSSCGKSA-N 1 0 295.383 2.214 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCn2ccnc2)cccc1[N+](=O)[O-] ZINC000155690733 188221305 /nfs/dbraw/zinc/22/13/05/188221305.db2.gz FCSRQGDHJDXDEW-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000157924485 188347348 /nfs/dbraw/zinc/34/73/48/188347348.db2.gz ZELHEOQRZMWEEG-UHFFFAOYSA-N 1 0 256.277 2.202 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358530 219420873 /nfs/dbraw/zinc/42/08/73/219420873.db2.gz YJUBUDILNAYZIF-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292983915 198484706 /nfs/dbraw/zinc/48/47/06/198484706.db2.gz LKZCYOBMZGHQIU-CABZTGNLSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132155635 366122575 /nfs/dbraw/zinc/12/25/75/366122575.db2.gz CIYUKIDAIKMOSQ-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271731898 191294131 /nfs/dbraw/zinc/29/41/31/191294131.db2.gz SPZLBZLHEXTAFC-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000162861360 188593014 /nfs/dbraw/zinc/59/30/14/188593014.db2.gz CTDOMFGBNKBWTR-NSHDSACASA-N 1 0 264.329 2.100 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000451502032 283013107 /nfs/dbraw/zinc/01/31/07/283013107.db2.gz PHBPKLLOYLZRMR-KGLIPLIRSA-N 1 0 294.351 2.377 20 5 CEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941014 366181326 /nfs/dbraw/zinc/18/13/26/366181326.db2.gz GSUGUNHJPYRUPL-TYNCELHUSA-N 1 0 294.351 2.439 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451544152 283028148 /nfs/dbraw/zinc/02/81/48/283028148.db2.gz MJAYNHFWZPOTKO-SWLSCSKDSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074749683 363382577 /nfs/dbraw/zinc/38/25/77/363382577.db2.gz CUAVMLOFZAEWOB-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451625983 283055979 /nfs/dbraw/zinc/05/59/79/283055979.db2.gz DYWYMJFFJBYLSU-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO CO[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076348017 363541441 /nfs/dbraw/zinc/54/14/41/363541441.db2.gz KDEAOMPHOHQBJQ-LBPRGKRZSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000134468802 366326367 /nfs/dbraw/zinc/32/63/67/366326367.db2.gz DCSOHVIWWOMXLE-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338376157 366326852 /nfs/dbraw/zinc/32/68/52/366326852.db2.gz LMYOGQZCGQWYCL-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491862748 290539091 /nfs/dbraw/zinc/53/90/91/290539091.db2.gz BGOWHXAXWHPAAT-LAUAKBEESA-N 1 0 291.351 2.064 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428827 199036357 /nfs/dbraw/zinc/03/63/57/199036357.db2.gz URMGKHKYQXZCMA-UTLUCORTSA-N 1 0 267.329 2.251 20 5 CEBDRO Cc1nc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000570668156 299271136 /nfs/dbraw/zinc/27/11/36/299271136.db2.gz FTNHFPFWXSZOBF-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000294687074 199134504 /nfs/dbraw/zinc/13/45/04/199134504.db2.gz IKOIFPCSMZOTMO-SNVBAGLBSA-N 1 0 289.339 2.244 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414524376 236398026 /nfs/dbraw/zinc/39/80/26/236398026.db2.gz ZLXXMWJWGNPWSP-MDZLAQPJSA-N 1 0 264.325 2.498 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000414664019 236437174 /nfs/dbraw/zinc/43/71/74/236437174.db2.gz SRJDMZMMNPNWKB-MNOVXSKESA-N 1 0 292.339 2.234 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294772479 199175382 /nfs/dbraw/zinc/17/53/82/199175382.db2.gz NGMIBBINBCHKFJ-SNVBAGLBSA-N 1 0 274.324 2.366 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000135073149 366392329 /nfs/dbraw/zinc/39/23/29/366392329.db2.gz DXRPOZBSTNRAOW-UHFFFAOYSA-N 1 0 264.325 2.237 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922752 199251541 /nfs/dbraw/zinc/25/15/41/199251541.db2.gz XDGQIALJKSIJEZ-MRVPVSSYSA-N 1 0 275.312 2.059 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668481 366531650 /nfs/dbraw/zinc/53/16/50/366531650.db2.gz DRNXINWKSIDXTK-ZWNOBZJWSA-N 1 0 296.392 2.286 20 5 CEBDRO Cc1cc(Cl)c(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296418184 199885489 /nfs/dbraw/zinc/88/54/89/199885489.db2.gz MJDNYZLWAZVTBU-UHFFFAOYSA-N 1 0 299.758 2.238 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000079743114 363626635 /nfs/dbraw/zinc/62/66/35/363626635.db2.gz CMFISACTGWEKGF-NSHDSACASA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417146202 237017676 /nfs/dbraw/zinc/01/76/76/237017676.db2.gz XVNCKOZJKQEGSU-WDEREUQCSA-N 1 0 294.355 2.082 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000341574983 216019508 /nfs/dbraw/zinc/01/95/08/216019508.db2.gz LTYYXESRZKLJOW-OAHLLOKOSA-N 1 0 299.330 2.204 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC000176271092 188987530 /nfs/dbraw/zinc/98/75/30/188987530.db2.gz XKAYCJZZSJCCIS-UHFFFAOYSA-N 1 0 292.261 2.066 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000148890722 366584632 /nfs/dbraw/zinc/58/46/32/366584632.db2.gz BUYATESCFUSSMT-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000080760558 363682271 /nfs/dbraw/zinc/68/22/71/363682271.db2.gz CFHOTHRPOXJFPB-NSHDSACASA-N 1 0 288.303 2.115 20 5 CEBDRO C[C@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000339027943 366619465 /nfs/dbraw/zinc/61/94/65/366619465.db2.gz WSOKCBVZHKHHMR-LBPRGKRZSA-N 1 0 295.387 2.252 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243705 283507951 /nfs/dbraw/zinc/50/79/51/283507951.db2.gz AEECNTVTLNUWAF-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339104784 366655886 /nfs/dbraw/zinc/65/58/86/366655886.db2.gz DDDDNBZRPGQRDJ-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCn2ccnc21 ZINC000297968127 200310544 /nfs/dbraw/zinc/31/05/44/200310544.db2.gz ZRSLXMNVLLXNBS-LBPRGKRZSA-N 1 0 272.308 2.068 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949440 366677351 /nfs/dbraw/zinc/67/73/51/366677351.db2.gz QJJLLQBSMPCADG-GXSJLCMTSA-N 1 0 252.314 2.325 20 5 CEBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298289997 200385125 /nfs/dbraw/zinc/38/51/25/200385125.db2.gz HGNXTLUIVPINHI-AWEZNQCLSA-N 1 0 294.351 2.207 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177219778 189037622 /nfs/dbraw/zinc/03/76/22/189037622.db2.gz KWERVXCVEKRYKS-JTQLQIEISA-N 1 0 291.351 2.314 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413939 283563092 /nfs/dbraw/zinc/56/30/92/283563092.db2.gz WVKGDIUNAGHRRN-ABAIWWIYSA-N 1 0 291.351 2.223 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1O ZINC000342218539 216265188 /nfs/dbraw/zinc/26/51/88/216265188.db2.gz IPZCOZXMQIKJQL-JGVFFNPUSA-N 1 0 288.250 2.052 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342235509 216272621 /nfs/dbraw/zinc/27/26/21/216272621.db2.gz QOVFAGKRLHIOKB-LLVKDONJSA-N 1 0 270.304 2.088 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@H+]1CC=CCC1 ZINC000339973379 366733945 /nfs/dbraw/zinc/73/39/45/366733945.db2.gz ANWJEXDAGGZEPE-UHFFFAOYSA-N 1 0 298.346 2.239 20 5 CEBDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])cc1Cl ZINC000301600230 201090520 /nfs/dbraw/zinc/09/05/20/201090520.db2.gz IJRTUGWYUGSYHB-UHFFFAOYSA-N 1 0 261.734 2.297 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000089580563 363979412 /nfs/dbraw/zinc/97/94/12/363979412.db2.gz WLKZEMVHTDAATN-LBPRGKRZSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000092567463 364082094 /nfs/dbraw/zinc/08/20/94/364082094.db2.gz APZFFUAFYFCCJK-VXGBXAGGSA-N 1 0 266.345 2.207 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCOC1)CCO2 ZINC000356535290 370745104 /nfs/dbraw/zinc/74/51/04/370745104.db2.gz XYJXNUPPMHCNPB-GFCCVEGCSA-N 1 0 292.335 2.216 20 5 CEBDRO Cc1ccc(NC(=O)CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000094293496 364265242 /nfs/dbraw/zinc/26/52/42/364265242.db2.gz AOXMNVNMYAXJCL-UHFFFAOYSA-N 1 0 263.297 2.113 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339786 364266449 /nfs/dbraw/zinc/26/64/49/364266449.db2.gz HBAYCOJXXQCQEZ-GZMMTYOYSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111829580 364762942 /nfs/dbraw/zinc/76/29/42/364762942.db2.gz XQUWOKGSFIYKCT-NSHDSACASA-N 1 0 280.328 2.090 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199455 364930960 /nfs/dbraw/zinc/93/09/60/364930960.db2.gz UZGIGBOHWDLUFE-AWEZNQCLSA-N 1 0 277.368 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCCCO)C2CC2)cc1 ZINC000118844555 365183833 /nfs/dbraw/zinc/18/38/33/365183833.db2.gz IWSQAHZIIOEMHR-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119008056 365199254 /nfs/dbraw/zinc/19/92/54/365199254.db2.gz BXEWFXYHBPJFML-RISCZKNCSA-N 1 0 278.352 2.276 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119865877 365336203 /nfs/dbraw/zinc/33/62/03/365336203.db2.gz LPAFFZMTHIAYDN-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000275791677 193129529 /nfs/dbraw/zinc/12/95/29/193129529.db2.gz LDUQCPCIGCEDRA-NSHDSACASA-N 1 0 293.367 2.398 20 5 CEBDRO Cc1c(CN(C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160165044 366977773 /nfs/dbraw/zinc/97/77/73/366977773.db2.gz JCDHOTGHBFMVNX-CQSZACIVSA-N 1 0 263.341 2.072 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000340896651 367079781 /nfs/dbraw/zinc/07/97/81/367079781.db2.gz HNZYJQBMVOBZCO-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)CCN(C)C)c1 ZINC000341055750 367151231 /nfs/dbraw/zinc/15/12/31/367151231.db2.gz ZJZDRHDDPIUKKZ-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000163274125 367227045 /nfs/dbraw/zinc/22/70/45/367227045.db2.gz WDATVHINMXODTR-OCCSQVGLSA-N 1 0 293.367 2.315 20 5 CEBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341273736 367261413 /nfs/dbraw/zinc/26/14/13/367261413.db2.gz XPDSIYUIDSSSEI-JSGCOSHPSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638490 367356940 /nfs/dbraw/zinc/35/69/40/367356940.db2.gz NKGBYYITPMPSHO-QWRGUYRKSA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605124 367357399 /nfs/dbraw/zinc/35/73/99/367357399.db2.gz XDTKJDKBAVFHOH-QWRGUYRKSA-N 1 0 251.330 2.196 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000245901618 370884955 /nfs/dbraw/zinc/88/49/55/370884955.db2.gz PZLDMEGLQJHHOJ-ZIAGYGMSSA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343439098 367815527 /nfs/dbraw/zinc/81/55/27/367815527.db2.gz IWYNEVFAVHLLCF-SMDDNHRTSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343530735 367867367 /nfs/dbraw/zinc/86/73/67/367867367.db2.gz OXAMGEOLRZXQGW-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173391121 367906476 /nfs/dbraw/zinc/90/64/76/367906476.db2.gz UZCZGPXHKHOXFE-VIFPVBQESA-N 1 0 276.296 2.180 20 5 CEBDRO COc1cc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000343807436 368014266 /nfs/dbraw/zinc/01/42/66/368014266.db2.gz OFHJAJZGNXJAPU-QMMMGPOBSA-N 1 0 271.292 2.105 20 5 CEBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000174431969 368022472 /nfs/dbraw/zinc/02/24/72/368022472.db2.gz DQMCAVYAVYKKRQ-UHFFFAOYSA-N 1 0 286.353 2.478 20 5 CEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344438538 368123652 /nfs/dbraw/zinc/12/36/52/368123652.db2.gz XCOCEHWUOXKOAD-TXEJJXNPSA-N 1 0 291.351 2.150 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)C2CCCC2)c1 ZINC000174817933 368070346 /nfs/dbraw/zinc/07/03/46/368070346.db2.gz KVQRFOITZLDSMS-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000174879449 368075852 /nfs/dbraw/zinc/07/58/52/368075852.db2.gz IFWVNOWWNVJMPB-UHFFFAOYSA-N 1 0 292.261 2.066 20 5 CEBDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427004 368381930 /nfs/dbraw/zinc/38/19/30/368381930.db2.gz PQJSUMGAAUVKSA-RYUDHWBXSA-N 1 0 293.367 2.406 20 5 CEBDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000181463160 368458686 /nfs/dbraw/zinc/45/86/86/368458686.db2.gz VWKFFFZWJWWETH-JTQLQIEISA-N 1 0 293.323 2.004 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183220030 368616838 /nfs/dbraw/zinc/61/68/38/368616838.db2.gz PHJYPEJDJBMODP-SNVBAGLBSA-N 1 0 279.340 2.018 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000186789342 369042598 /nfs/dbraw/zinc/04/25/98/369042598.db2.gz LOZJCSSLJKLBOB-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187103551 369101376 /nfs/dbraw/zinc/10/13/76/369101376.db2.gz YIIWNQFWUKZHAE-LALPHHSUSA-N 1 0 292.335 2.261 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000572751640 299396619 /nfs/dbraw/zinc/39/66/19/299396619.db2.gz OLJXVYDTQZTPSO-SNVBAGLBSA-N 1 0 295.364 2.019 20 5 CEBDRO C[NH+](C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187415963 369156337 /nfs/dbraw/zinc/15/63/37/369156337.db2.gz HERYUBDHRZUNAP-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188800648 369410687 /nfs/dbraw/zinc/41/06/87/369410687.db2.gz GHDHURACSQNGII-CABZTGNLSA-N 1 0 284.743 2.499 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188850187 369419718 /nfs/dbraw/zinc/41/97/18/369419718.db2.gz SQDYMKBYJHFPAS-RISCZKNCSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206402 370950816 /nfs/dbraw/zinc/95/08/16/370950816.db2.gz SNAOZGIMVTTWSQ-CJNGLKHVSA-N 1 0 291.395 2.457 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000350006925 369481961 /nfs/dbraw/zinc/48/19/61/369481961.db2.gz GGYZJSIIESJKMV-ZDUSSCGKSA-N 1 0 291.351 2.133 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276175086 193233946 /nfs/dbraw/zinc/23/39/46/193233946.db2.gz DJIGMRWJEKBFFD-LLVKDONJSA-N 1 0 299.758 2.381 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189387629 369508379 /nfs/dbraw/zinc/50/83/79/369508379.db2.gz JGDXXRJKXMKRTM-UHFFFAOYSA-N 1 0 298.705 2.374 20 5 CEBDRO CCCN(CCC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000276184140 193236500 /nfs/dbraw/zinc/23/65/00/193236500.db2.gz HQKUVKIDHUTGFI-UHFFFAOYSA-N 1 0 299.396 2.460 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189315343 369495356 /nfs/dbraw/zinc/49/53/56/369495356.db2.gz VWKUEASCUSTJDP-WDMOLILDSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189322112 369497153 /nfs/dbraw/zinc/49/71/53/369497153.db2.gz KAOQFAFUQVBSSQ-WFASDCNBSA-N 1 0 294.351 2.330 20 5 CEBDRO CCCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000352414544 369719668 /nfs/dbraw/zinc/71/96/68/369719668.db2.gz IEDDWZRZZMVABU-LLVKDONJSA-N 1 0 254.334 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000191185477 369689927 /nfs/dbraw/zinc/68/99/27/369689927.db2.gz AJHWMVBFHMLOEF-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000276635923 193409348 /nfs/dbraw/zinc/40/93/48/193409348.db2.gz PHDPOOWLIMPGTR-ZDUSSCGKSA-N 1 0 266.341 2.480 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1O ZINC000352668215 369826823 /nfs/dbraw/zinc/82/68/23/369826823.db2.gz QKSLOLZHGWLCRT-OLZOCXBDSA-N 1 0 268.288 2.079 20 5 CEBDRO CCCNC(=O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192608626 369833702 /nfs/dbraw/zinc/83/37/02/369833702.db2.gz TYSMHXRPHHWRBW-CQSZACIVSA-N 1 0 291.351 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)C2CC2)c(Cl)c1 ZINC000353158540 370046318 /nfs/dbraw/zinc/04/63/18/370046318.db2.gz WJGACMRQDQPRST-LLVKDONJSA-N 1 0 284.743 2.356 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCO ZINC000194224559 370016531 /nfs/dbraw/zinc/01/65/31/370016531.db2.gz IBGQWPJBEMHKHS-LBPRGKRZSA-N 1 0 266.341 2.278 20 5 CEBDRO COCC[C@H](COC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353129850 370031132 /nfs/dbraw/zinc/03/11/32/370031132.db2.gz TZRLPKVDXBJGQE-HZRUHFOJSA-N 1 0 294.351 2.249 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000353149378 370041181 /nfs/dbraw/zinc/04/11/81/370041181.db2.gz IDSUSTUEYWDMHO-JTQLQIEISA-N 1 0 271.386 2.475 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000353191703 370063029 /nfs/dbraw/zinc/06/30/29/370063029.db2.gz KDMSBUDDTGJCMQ-MOBDVTQCSA-N 1 0 276.336 2.359 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000221679855 370242819 /nfs/dbraw/zinc/24/28/19/370242819.db2.gz JJHVFCIWYSBALO-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO COc1cc(NCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000223225563 370262243 /nfs/dbraw/zinc/26/22/43/370262243.db2.gz UCRPJUJOGWPHQQ-UHFFFAOYSA-N 1 0 283.303 2.250 20 5 CEBDRO Cc1c(CN2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000227197635 370363520 /nfs/dbraw/zinc/36/35/20/370363520.db2.gz NLKMYQRMCPCUBS-IAQYHMDHSA-N 1 0 277.368 2.462 20 5 CEBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227647476 370378180 /nfs/dbraw/zinc/37/81/80/370378180.db2.gz BEAUWJFDMFSAMJ-UHFFFAOYSA-N 1 0 272.736 2.397 20 5 CEBDRO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227953080 370389445 /nfs/dbraw/zinc/38/94/45/370389445.db2.gz TYIVLCUITJUKGG-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230377263 370457693 /nfs/dbraw/zinc/45/76/93/370457693.db2.gz XGBQILGWXYMBRI-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231383054 370478840 /nfs/dbraw/zinc/47/88/40/370478840.db2.gz YCJCZIAGTZUJGN-GFCCVEGCSA-N 1 0 296.367 2.492 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000232234730 370504023 /nfs/dbraw/zinc/50/40/23/370504023.db2.gz HJBWLQXENDYMNC-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO CCC[C@H]([NH2+][C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233358669 370518241 /nfs/dbraw/zinc/51/82/41/370518241.db2.gz LFISWJAEKICBCP-OCCSQVGLSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000234888557 370547209 /nfs/dbraw/zinc/54/72/09/370547209.db2.gz JYBJRLKIBFCKEN-HZMBPMFUSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000355512575 370581586 /nfs/dbraw/zinc/58/15/86/370581586.db2.gz KCMPNRIPPLEOKB-CQSZACIVSA-N 1 0 296.392 2.285 20 5 CEBDRO Cc1sc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236670245 370606418 /nfs/dbraw/zinc/60/64/18/370606418.db2.gz RYIUEHGRCVJPJC-LBPRGKRZSA-N 1 0 285.369 2.068 20 5 CEBDRO CC[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958057 371037651 /nfs/dbraw/zinc/03/76/51/371037651.db2.gz LAVJXZSVMBTOOJ-SWLSCSKDSA-N 1 0 277.368 2.415 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249115905 371296725 /nfs/dbraw/zinc/29/67/25/371296725.db2.gz RWODQTORMUVACP-SMDDNHRTSA-N 1 0 292.335 2.226 20 5 CEBDRO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249521681 371330535 /nfs/dbraw/zinc/33/05/35/371330535.db2.gz NPQZZQFGHRRDRX-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000249217703 371306298 /nfs/dbraw/zinc/30/62/98/371306298.db2.gz FMVNPOHALBZNDN-WCQYABFASA-N 1 0 290.367 2.098 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000252892092 371488695 /nfs/dbraw/zinc/48/86/95/371488695.db2.gz MWVNKGJQDDBWAQ-SMDDNHRTSA-N 1 0 263.341 2.025 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC)C1 ZINC000360956151 371561030 /nfs/dbraw/zinc/56/10/30/371561030.db2.gz YWCZPJHWJZRGRW-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H](C)O ZINC000361045617 371617903 /nfs/dbraw/zinc/61/79/03/371617903.db2.gz YDYIWQZSBVTHIS-MNOVXSKESA-N 1 0 282.340 2.243 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000361046004 371619594 /nfs/dbraw/zinc/61/95/94/371619594.db2.gz ZGUITIXSDFNHMU-MWLCHTKSSA-N 1 0 281.360 2.014 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000261738312 371715192 /nfs/dbraw/zinc/71/51/92/371715192.db2.gz RWLAYOAKPJASRR-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353331884 220032495 /nfs/dbraw/zinc/03/24/95/220032495.db2.gz WVTILOZJTQYAQD-HNNXBMFYSA-N 1 0 275.352 2.263 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000361372321 371813920 /nfs/dbraw/zinc/81/39/20/371813920.db2.gz MPURUYYQGGUSKD-GHMZBOCLSA-N 1 0 250.298 2.377 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361471279 371864608 /nfs/dbraw/zinc/86/46/08/371864608.db2.gz YTJJPNLUJUOTGW-SNVBAGLBSA-N 1 0 266.345 2.339 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264005970 371955434 /nfs/dbraw/zinc/95/54/34/371955434.db2.gz JEAWAGMHZVBWHG-CYBMUJFWSA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1nc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268482676 372114707 /nfs/dbraw/zinc/11/47/07/372114707.db2.gz LUMNJQDJOQKOTL-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000267565218 372076167 /nfs/dbraw/zinc/07/61/67/372076167.db2.gz VYKMTWMKGZGKNQ-NEPJUHHUSA-N 1 0 276.340 2.053 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000362027769 372178204 /nfs/dbraw/zinc/17/82/04/372178204.db2.gz OKTYNALTJHEVJA-UKRRQHHQSA-N 1 0 294.351 2.187 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268921118 372287120 /nfs/dbraw/zinc/28/71/20/372287120.db2.gz WTDOAGQFGSWITL-GXSJLCMTSA-N 1 0 252.314 2.325 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000269038484 372320934 /nfs/dbraw/zinc/32/09/34/372320934.db2.gz SXWIJIYXWHPUHN-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353145 217164314 /nfs/dbraw/zinc/16/43/14/217164314.db2.gz JJTCTEYQMGRRHC-ONGXEEELSA-N 1 0 269.370 2.229 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000269658274 372523091 /nfs/dbraw/zinc/52/30/91/372523091.db2.gz NSPMBMGRLJJJSE-ZDUSSCGKSA-N 1 0 266.341 2.434 20 5 CEBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344583271 217239524 /nfs/dbraw/zinc/23/95/24/217239524.db2.gz SWFYBNYFGNUVGC-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270774432 372946749 /nfs/dbraw/zinc/94/67/49/372946749.db2.gz REXMOGDKKIKDKH-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000344761798 217304226 /nfs/dbraw/zinc/30/42/26/217304226.db2.gz QSPMTBCJFKBNOH-LBPRGKRZSA-N 1 0 278.352 2.421 20 5 CEBDRO CCN(C)C(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344788493 217312534 /nfs/dbraw/zinc/31/25/34/217312534.db2.gz FUVKMGVXBNMJTJ-WQLSENKSSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000272314822 373427296 /nfs/dbraw/zinc/42/72/96/373427296.db2.gz SGGGGBBBBXPGNZ-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H](CCCCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000272245562 373382586 /nfs/dbraw/zinc/38/25/86/373382586.db2.gz BHUHJAQSJCOFGE-LLVKDONJSA-N 1 0 252.314 2.236 20 5 CEBDRO COc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272257544 373390114 /nfs/dbraw/zinc/39/01/14/373390114.db2.gz ZNPGBOXINSXBHK-FZMZJTMJSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000272539137 373542617 /nfs/dbraw/zinc/54/26/17/373542617.db2.gz PPTJPFGQOSXSKR-NSHDSACASA-N 1 0 278.356 2.156 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000370044793 373564256 /nfs/dbraw/zinc/56/42/56/373564256.db2.gz HUCJUWIBDKMSGI-CYBMUJFWSA-N 1 0 286.335 2.318 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272667337 373606605 /nfs/dbraw/zinc/60/66/05/373606605.db2.gz SMVLXUWKFADZCJ-NWDGAFQWSA-N 1 0 281.381 2.182 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCCC2)cs1 ZINC000289546519 197397943 /nfs/dbraw/zinc/39/79/43/197397943.db2.gz NZJGLKRWLRPJFQ-LLVKDONJSA-N 1 0 270.354 2.297 20 5 CEBDRO CCOc1cc(C[N@H+](C)CCCCO)ccc1[N+](=O)[O-] ZINC000276944986 374354701 /nfs/dbraw/zinc/35/47/01/374354701.db2.gz SVKMLTYZUUPRKM-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000388009255 375283104 /nfs/dbraw/zinc/28/31/04/375283104.db2.gz GRUIPJZMKBIGQJ-UFBFGSQYSA-N 1 0 270.716 2.061 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000387339667 375273824 /nfs/dbraw/zinc/27/38/24/375273824.db2.gz DZSMOHNSNCUYAZ-CWSCBRNRSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137917 375411054 /nfs/dbraw/zinc/41/10/54/375411054.db2.gz BUXZJKXHMGEPEO-APBUJDDRSA-N 1 0 282.365 2.157 20 5 CEBDRO Cc1nn(C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283169580 375667872 /nfs/dbraw/zinc/66/78/72/375667872.db2.gz YXVUIHPIKKHXRU-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283715917 375750595 /nfs/dbraw/zinc/75/05/95/375750595.db2.gz FLPZEEMAPGUEEC-NWDGAFQWSA-N 1 0 278.356 2.462 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345967340 217764776 /nfs/dbraw/zinc/76/47/76/217764776.db2.gz SBGXYGIHAAOUQJ-NEPJUHHUSA-N 1 0 291.351 2.150 20 5 CEBDRO CCCN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000286312599 375909499 /nfs/dbraw/zinc/90/94/99/375909499.db2.gz JBJMAMUZNXBSTH-UHFFFAOYSA-N 1 0 293.371 2.087 20 5 CEBDRO Cc1c(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414696440 375925231 /nfs/dbraw/zinc/92/52/31/375925231.db2.gz HNVCWBZVCUWKQK-ONGXEEELSA-N 1 0 292.339 2.104 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000287197381 376172651 /nfs/dbraw/zinc/17/26/51/376172651.db2.gz DIIDCSKASABWBZ-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000289725766 376465507 /nfs/dbraw/zinc/46/55/07/376465507.db2.gz FXPJEZGXALVXOY-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO C[C@H]1C[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942893 376521828 /nfs/dbraw/zinc/52/18/28/376521828.db2.gz OWYLUCVOMKVDRA-QWHCGFSZSA-N 1 0 289.379 2.341 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887409 376529832 /nfs/dbraw/zinc/52/98/32/376529832.db2.gz YWAWHLVEDVELDU-JSGCOSHPSA-N 1 0 294.351 2.209 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000264231371 190097909 /nfs/dbraw/zinc/09/79/09/190097909.db2.gz RRCCXFOOMLIOCG-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423432 190108801 /nfs/dbraw/zinc/10/88/01/190108801.db2.gz MVNUBCTWJBQNBM-IUODEOHRSA-N 1 0 294.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000311325438 376663389 /nfs/dbraw/zinc/66/33/89/376663389.db2.gz BLKCMFYEXVIEOW-AAEUAGOBSA-N 1 0 264.325 2.236 20 5 CEBDRO NC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000315283983 376797626 /nfs/dbraw/zinc/79/76/26/376797626.db2.gz MSLGCWBAGWNVFZ-UHFFFAOYSA-N 1 0 299.330 2.026 20 5 CEBDRO CC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000290988321 377017793 /nfs/dbraw/zinc/01/77/93/377017793.db2.gz RGQLPEJCNWEDCO-UHFFFAOYSA-N 1 0 255.293 2.406 20 5 CEBDRO CCC[C@@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200264 377116392 /nfs/dbraw/zinc/11/63/92/377116392.db2.gz FEVQSHTWAALCCF-GXTWGEPZSA-N 1 0 263.341 2.388 20 5 CEBDRO CC[NH2+]CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423242945 377161731 /nfs/dbraw/zinc/16/17/31/377161731.db2.gz JSDWELKXYYOVFH-NSHDSACASA-N 1 0 251.330 2.163 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000563419431 377219595 /nfs/dbraw/zinc/21/95/95/377219595.db2.gz VBRBWNJNKVNYBU-SUNKGSAMSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[N@H+](C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000563423022 377221040 /nfs/dbraw/zinc/22/10/40/377221040.db2.gz KIHDNPROSIPLOX-ZDUSSCGKSA-N 1 0 284.381 2.141 20 5 CEBDRO Cc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292807134 377292450 /nfs/dbraw/zinc/29/24/50/377292450.db2.gz OGYRKAKJYBZMTG-MRXNPFEDSA-N 1 0 289.379 2.431 20 5 CEBDRO Cc1sc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000264867565 190140500 /nfs/dbraw/zinc/14/05/00/190140500.db2.gz GGSSRGSUXKJRRR-UHFFFAOYSA-N 1 0 285.369 2.036 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCC2)nc1 ZINC000292828561 377303419 /nfs/dbraw/zinc/30/34/19/377303419.db2.gz PMOSFIDVZJRSCV-UHFFFAOYSA-N 1 0 279.344 2.063 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000293250709 377493816 /nfs/dbraw/zinc/49/38/16/377493816.db2.gz ZUEKKSQIIIMIFI-LBPRGKRZSA-N 1 0 263.341 2.291 20 5 CEBDRO CCOCC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000293356394 377535123 /nfs/dbraw/zinc/53/51/23/377535123.db2.gz UGCFFDVKVIUSHA-UHFFFAOYSA-N 1 0 282.340 2.378 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[NH2+]CC1 ZINC000332357217 377580043 /nfs/dbraw/zinc/58/00/43/377580043.db2.gz SMGHMOMXBFFUEA-UHFFFAOYSA-N 1 0 292.339 2.039 20 5 CEBDRO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000565198834 377602215 /nfs/dbraw/zinc/60/22/15/377602215.db2.gz HPGANTNPWFAHJO-RYUDHWBXSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217956 377610170 /nfs/dbraw/zinc/61/01/70/377610170.db2.gz NKVGNKCQFKKSND-MFKMUULPSA-N 1 0 264.325 2.190 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000439122078 377918840 /nfs/dbraw/zinc/91/88/40/377918840.db2.gz XHCWMYLDTZRODG-ZDUSSCGKSA-N 1 0 295.383 2.408 20 5 CEBDRO C[N@@H+](Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000295213188 378053459 /nfs/dbraw/zinc/05/34/59/378053459.db2.gz UWARHTWXQUYYLF-OAHLLOKOSA-N 1 0 287.319 2.155 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)(C)O ZINC000295226496 378059243 /nfs/dbraw/zinc/05/92/43/378059243.db2.gz WHZPVXJESAPXCS-SNVBAGLBSA-N 1 0 282.340 2.195 20 5 CEBDRO CCCC[N@H+](C)CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447694033 378131405 /nfs/dbraw/zinc/13/14/05/378131405.db2.gz PKGXJSBXZBOFLM-UHFFFAOYSA-N 1 0 291.355 2.037 20 5 CEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[NH+](C)C ZINC000295544242 378203665 /nfs/dbraw/zinc/20/36/65/378203665.db2.gz UGMHRYSFIJWOEI-UHFFFAOYSA-N 1 0 290.323 2.125 20 5 CEBDRO Cc1nc(NC[C@@H](C)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000295636723 378245515 /nfs/dbraw/zinc/24/55/15/378245515.db2.gz XVURVZDIIJLZQG-LLVKDONJSA-N 1 0 293.371 2.227 20 5 CEBDRO Cc1cnccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000295931991 378358857 /nfs/dbraw/zinc/35/88/57/378358857.db2.gz FRZCBTDAISIPRI-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO Cc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1F ZINC000295763524 378294540 /nfs/dbraw/zinc/29/45/40/378294540.db2.gz QJNVCXORTOAERF-UHFFFAOYSA-N 1 0 278.287 2.029 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[NH+]1CCC(O)CC1 ZINC000296142374 378430951 /nfs/dbraw/zinc/43/09/51/378430951.db2.gz XIDYOBOEWLTWKN-UHFFFAOYSA-N 1 0 299.758 2.117 20 5 CEBDRO CCC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000296422143 378525709 /nfs/dbraw/zinc/52/57/09/378525709.db2.gz UWOWYVSGZCFMON-UHFFFAOYSA-N 1 0 252.318 2.104 20 5 CEBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296520294 378561300 /nfs/dbraw/zinc/56/13/00/378561300.db2.gz PXFXNLWSXFPSOQ-QWRGUYRKSA-N 1 0 281.356 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)nc1 ZINC000450880576 378627594 /nfs/dbraw/zinc/62/75/94/378627594.db2.gz WYYHPBTUXHLOMC-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400145 378886166 /nfs/dbraw/zinc/88/61/66/378886166.db2.gz KTTMXZVSFLCRSA-ZYHUDNBSSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)NC ZINC000453400142 378886217 /nfs/dbraw/zinc/88/62/17/378886217.db2.gz KTTMXZVSFLCRSA-CMPLNLGQSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034383 218099125 /nfs/dbraw/zinc/09/91/25/218099125.db2.gz FYAWLNDFZLUYPY-ZDUSSCGKSA-N 1 0 263.341 2.074 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000347024721 218096954 /nfs/dbraw/zinc/09/69/54/218096954.db2.gz RFRGDEKYBAGQDJ-MVTQWGDUSA-N 1 0 275.352 2.290 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170227 218142995 /nfs/dbraw/zinc/14/29/95/218142995.db2.gz NMMSMRBTHGMXCE-WXJAXGNASA-N 1 0 275.352 2.279 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278693000 194106204 /nfs/dbraw/zinc/10/62/04/194106204.db2.gz GXUQGUZXDSWLLF-YWPYICTPSA-N 1 0 294.351 2.094 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(O)C1 ZINC000347363560 218206369 /nfs/dbraw/zinc/20/63/69/218206369.db2.gz RWGGDCMEXJUPAV-JQVXPOPVSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@]1(F)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000347361747 218206848 /nfs/dbraw/zinc/20/68/48/218206848.db2.gz VRTNEHXAMBELIU-AWEZNQCLSA-N 1 0 295.314 2.357 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000289461701 197358663 /nfs/dbraw/zinc/35/86/63/197358663.db2.gz GZIUWIJIZVNWEP-OAHLLOKOSA-N 1 0 278.352 2.278 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)C1CC1 ZINC000507139158 379097424 /nfs/dbraw/zinc/09/74/24/379097424.db2.gz AIOJLZUCXGZFHG-HYXAFXHYSA-N 1 0 262.309 2.065 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922723 379146835 /nfs/dbraw/zinc/14/68/35/379146835.db2.gz POUDCHXUWPMJSZ-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952361 379327470 /nfs/dbraw/zinc/32/74/70/379327470.db2.gz SYQHJGKWXCTYQI-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000303976670 379500785 /nfs/dbraw/zinc/50/07/85/379500785.db2.gz CIPKAQMDJMJNDF-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000267132843 190305401 /nfs/dbraw/zinc/30/54/01/190305401.db2.gz WAEPNUSBAHWKPB-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000267610387 190341552 /nfs/dbraw/zinc/34/15/52/190341552.db2.gz BCXOJBURESIMLJ-LBPRGKRZSA-N 1 0 250.298 2.124 20 5 CEBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000268342116 190396519 /nfs/dbraw/zinc/39/65/19/190396519.db2.gz SGVWAAOJAYAERR-UHFFFAOYSA-N 1 0 290.323 2.151 20 5 CEBDRO Cc1cnc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268208330 190386429 /nfs/dbraw/zinc/38/64/29/190386429.db2.gz YXACFJBCEBFOSE-ZYHUDNBSSA-N 1 0 276.340 2.193 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268273795 190391769 /nfs/dbraw/zinc/39/17/69/190391769.db2.gz HWGMLPDDLQLKKO-JTQLQIEISA-N 1 0 280.324 2.445 20 5 CEBDRO Cc1cc(N2CC[C@H](OCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000538937476 380247777 /nfs/dbraw/zinc/24/77/77/380247777.db2.gz XRLFHQKJVWGOAR-AWEZNQCLSA-N 1 0 293.367 2.060 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000540469194 380251971 /nfs/dbraw/zinc/25/19/71/380251971.db2.gz JFFUGUAGVDZBGC-JTQLQIEISA-N 1 0 279.340 2.065 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491827890 380352099 /nfs/dbraw/zinc/35/20/99/380352099.db2.gz KYURITZPVOPLMP-OJIASSBASA-N 1 0 291.351 2.064 20 5 CEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000280596159 194896564 /nfs/dbraw/zinc/89/65/64/194896564.db2.gz BTKAVPRAFSMYRY-YPMHNXCESA-N 1 0 292.335 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)nc1 ZINC000189074614 285123645 /nfs/dbraw/zinc/12/36/45/285123645.db2.gz JARGCMFGEQQJAS-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CC[NH2+]CC1)CCC2 ZINC000332208319 285143702 /nfs/dbraw/zinc/14/37/02/285143702.db2.gz HZECTDVDGHPICB-HNNXBMFYSA-N 1 0 275.352 2.314 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000189684537 130008246 /nfs/dbraw/zinc/00/82/46/130008246.db2.gz PXRKUJBTBFJHCA-VIFPVBQESA-N 1 0 270.358 2.338 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191266920 130211373 /nfs/dbraw/zinc/21/13/73/130211373.db2.gz DXCUYGHABZAGOA-GHMZBOCLSA-N 1 0 264.325 2.329 20 5 CEBDRO CC(C)(CCCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221380947 130783955 /nfs/dbraw/zinc/78/39/55/130783955.db2.gz ROJRLRKLJCCVOI-UHFFFAOYSA-N 1 0 266.341 2.483 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235445089 130949598 /nfs/dbraw/zinc/94/95/98/130949598.db2.gz XMFOPKZCOISDIN-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO CCc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237142785 131007477 /nfs/dbraw/zinc/00/74/77/131007477.db2.gz LDVCUOJLKSLHAU-HNNXBMFYSA-N 1 0 291.351 2.014 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261610900 131156568 /nfs/dbraw/zinc/15/65/68/131156568.db2.gz DXAAMOHVZSYSPL-ZDUSSCGKSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284045842 195967946 /nfs/dbraw/zinc/96/79/46/195967946.db2.gz KBACGPJMFMQNSP-DCAQKATOSA-N 1 0 281.356 2.235 20 5 CEBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271089648 135091416 /nfs/dbraw/zinc/09/14/16/135091416.db2.gz KOLPJXFEUIHZJU-JTQLQIEISA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000301589299 394462259 /nfs/dbraw/zinc/46/22/59/394462259.db2.gz XYCWCSKEUXELFG-CYBMUJFWSA-N 1 0 273.336 2.354 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000305205164 394500722 /nfs/dbraw/zinc/50/07/22/394500722.db2.gz XQNPJWBFJUMYJP-JSGCOSHPSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[N@H+](CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000052560851 394558138 /nfs/dbraw/zinc/55/81/38/394558138.db2.gz XXXCJHTXRVDSSW-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO CN(C)CC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000308636642 394529579 /nfs/dbraw/zinc/52/95/79/394529579.db2.gz MZPBXKAWTAZNAL-UHFFFAOYSA-N 1 0 265.357 2.067 20 5 CEBDRO Cc1ccnc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413345823 394531701 /nfs/dbraw/zinc/53/17/01/394531701.db2.gz GOKWUVZERQPXDM-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000311740541 394538308 /nfs/dbraw/zinc/53/83/08/394538308.db2.gz RTYWCIRDZDFMPA-NSHDSACASA-N 1 0 266.345 2.439 20 5 CEBDRO [NH3+]CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000313968744 394543581 /nfs/dbraw/zinc/54/35/81/394543581.db2.gz IETUYGAUMURYNB-UHFFFAOYSA-N 1 0 291.351 2.090 20 5 CEBDRO Cc1cc(N2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000266839301 394670562 /nfs/dbraw/zinc/67/05/62/394670562.db2.gz LIIMNZXBFYLPAO-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356769924 394607889 /nfs/dbraw/zinc/60/78/89/394607889.db2.gz BEBUMUIYGNVGHT-VIFPVBQESA-N 1 0 285.369 2.115 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263277564 394628125 /nfs/dbraw/zinc/62/81/25/394628125.db2.gz TVBSAMNBWZRGQA-OCCSQVGLSA-N 1 0 277.324 2.441 20 5 CEBDRO COC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000086697689 394645001 /nfs/dbraw/zinc/64/50/01/394645001.db2.gz UZEPKLUDJAIHKF-JTQLQIEISA-N 1 0 258.343 2.417 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000359060342 394739181 /nfs/dbraw/zinc/73/91/81/394739181.db2.gz PPVFLHQRBWGDKS-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000357008808 394680380 /nfs/dbraw/zinc/68/03/80/394680380.db2.gz UXNGPHLQDGGMFD-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000414091494 394700399 /nfs/dbraw/zinc/70/03/99/394700399.db2.gz DHQOBYNGTWKWPU-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414852689 394771106 /nfs/dbraw/zinc/77/11/06/394771106.db2.gz WJYAROKSLKLIFY-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO CC[C@@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422780752 394779886 /nfs/dbraw/zinc/77/98/86/394779886.db2.gz DJNHNYBFYNIFBR-KGLIPLIRSA-N 1 0 277.368 2.258 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)c1 ZINC000274425379 394797806 /nfs/dbraw/zinc/79/78/06/394797806.db2.gz CYMAEJBARZWUGH-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422832817 394818137 /nfs/dbraw/zinc/81/81/37/394818137.db2.gz GDSGPJCOJHPMRW-NSHDSACASA-N 1 0 291.351 2.152 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000415056648 394866998 /nfs/dbraw/zinc/86/69/98/394866998.db2.gz QBFLYESDDUYRHX-SECBINFHSA-N 1 0 257.359 2.119 20 5 CEBDRO CO[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336819485 394879029 /nfs/dbraw/zinc/87/90/29/394879029.db2.gz ZZRHOHRHDISYMO-CQSZACIVSA-N 1 0 264.325 2.500 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278853633 394837077 /nfs/dbraw/zinc/83/70/77/394837077.db2.gz XOFCNNWXHLVOES-AOOOYVTPSA-N 1 0 281.743 2.246 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000127451583 394851873 /nfs/dbraw/zinc/85/18/73/394851873.db2.gz XWESNHVPIVNJCE-XVJNWHFHSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916927 394862020 /nfs/dbraw/zinc/86/20/20/394862020.db2.gz BXTBTJQPPBSYHH-QWRGUYRKSA-N 1 0 263.341 2.162 20 5 CEBDRO Cc1c([C@H](C)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339169 394891011 /nfs/dbraw/zinc/89/10/11/394891011.db2.gz ZHONLOPBQDSKDX-GXFFZTMASA-N 1 0 263.341 2.291 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415251747 394913692 /nfs/dbraw/zinc/91/36/92/394913692.db2.gz AEHHMKOCSMCJTB-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415297413 394919258 /nfs/dbraw/zinc/91/92/58/394919258.db2.gz NZZSRLQBVNZMBD-LLVKDONJSA-N 1 0 292.339 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CC[NH3+] ZINC000415300044 394919897 /nfs/dbraw/zinc/91/98/97/394919897.db2.gz QWXBKWNQABLCRV-VIFPVBQESA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000338786864 394928924 /nfs/dbraw/zinc/92/89/24/394928924.db2.gz QFIISZWMFJNVCN-TXEJJXNPSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415420020 394930130 /nfs/dbraw/zinc/93/01/30/394930130.db2.gz RUHUAYAPJBUBHN-CQSZACIVSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415422347 394930935 /nfs/dbraw/zinc/93/09/35/394930935.db2.gz WKVQGMWRSIZFNF-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415448154 394933441 /nfs/dbraw/zinc/93/34/41/394933441.db2.gz XNBYKIJMCXUCIA-PWSUYJOCSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415504886 394939062 /nfs/dbraw/zinc/93/90/62/394939062.db2.gz PSWBLYPCVCSAQE-QWRGUYRKSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415508510 394939995 /nfs/dbraw/zinc/93/99/95/394939995.db2.gz VDBXFQIRFGQSSN-GWCFXTLKSA-N 1 0 292.339 2.023 20 5 CEBDRO CC(C)[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000284333899 394942963 /nfs/dbraw/zinc/94/29/63/394942963.db2.gz QOGGOWJKBCKYAW-CYBMUJFWSA-N 1 0 252.314 2.044 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415581905 394945697 /nfs/dbraw/zinc/94/56/97/394945697.db2.gz OALXVOYMKPBPHF-LLVKDONJSA-N 1 0 292.339 2.070 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000368305446 394983817 /nfs/dbraw/zinc/98/38/17/394983817.db2.gz VSAAJLYQYUGZPU-CQSZACIVSA-N 1 0 279.315 2.266 20 5 CEBDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851368 395003080 /nfs/dbraw/zinc/00/30/80/395003080.db2.gz RUMBGRLSKNBTEP-QMMMGPOBSA-N 1 0 297.742 2.005 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000286151897 395015262 /nfs/dbraw/zinc/01/52/62/395015262.db2.gz VYENUSSLCVQHFN-JOYOIKCWSA-N 1 0 252.339 2.436 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000286272625 395018611 /nfs/dbraw/zinc/01/86/11/395018611.db2.gz HLLLXDNSASWFDN-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423683883 394964587 /nfs/dbraw/zinc/96/45/87/394964587.db2.gz QPXDUKMMYAAEMV-NXEZZACHSA-N 1 0 279.340 2.184 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000339623356 394965392 /nfs/dbraw/zinc/96/53/92/394965392.db2.gz XILIECGNXRIABH-TXEJJXNPSA-N 1 0 263.341 2.119 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158495539 395046406 /nfs/dbraw/zinc/04/64/06/395046406.db2.gz HZUJLQVVYNSADH-KOLCDFICSA-N 1 0 281.360 2.014 20 5 CEBDRO CN(C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000286990619 395032223 /nfs/dbraw/zinc/03/22/23/395032223.db2.gz JOXVRXVDIXZTFJ-CQSZACIVSA-N 1 0 277.368 2.468 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000287483617 395042319 /nfs/dbraw/zinc/04/23/19/395042319.db2.gz SKIMHGIOODWYOB-LLVKDONJSA-N 1 0 252.314 2.188 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494408951 395111614 /nfs/dbraw/zinc/11/16/14/395111614.db2.gz FOQWPFOKYHEDCQ-LYKUJDHUSA-N 1 0 298.346 2.409 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430247115 395164109 /nfs/dbraw/zinc/16/41/09/395164109.db2.gz YBBBLRGVAVMBIR-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000350023579 395179498 /nfs/dbraw/zinc/17/94/98/395179498.db2.gz ZQKLTKIFOAKLPV-LBPRGKRZSA-N 1 0 263.341 2.039 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000351509827 395226732 /nfs/dbraw/zinc/22/67/32/395226732.db2.gz MWRWZFZUTQGQGM-VHSXEESVSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000398921903 395239708 /nfs/dbraw/zinc/23/97/08/395239708.db2.gz OKWMNDWXRIQLSU-TZMCWYRMSA-N 1 0 278.352 2.088 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613604 395201361 /nfs/dbraw/zinc/20/13/61/395201361.db2.gz PEMYHMDZZFDDPY-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000292778400 395205503 /nfs/dbraw/zinc/20/55/03/395205503.db2.gz LQEZUNNTXWEUFL-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000395921700 395214437 /nfs/dbraw/zinc/21/44/37/395214437.db2.gz UEQIVKJYXYQSTB-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000185317223 395277758 /nfs/dbraw/zinc/27/77/58/395277758.db2.gz BGSKKWGUAHWYLQ-ZDUSSCGKSA-N 1 0 266.341 2.434 20 5 CEBDRO C[N@H+](CCCCCO)Cc1csc([N+](=O)[O-])c1 ZINC000434660602 395318288 /nfs/dbraw/zinc/31/82/88/395318288.db2.gz AJFPLQHZWZOECF-UHFFFAOYSA-N 1 0 258.343 2.251 20 5 CEBDRO Cc1c(CN[C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420367451 395354294 /nfs/dbraw/zinc/35/42/94/395354294.db2.gz SDDIXDHBJMYZCN-ZDUSSCGKSA-N 1 0 265.357 2.366 20 5 CEBDRO Cc1c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435245632 395360347 /nfs/dbraw/zinc/36/03/47/395360347.db2.gz MWJJMANJBGZQEB-CQSZACIVSA-N 1 0 275.352 2.230 20 5 CEBDRO CN(C)C(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192791586 395392607 /nfs/dbraw/zinc/39/26/07/395392607.db2.gz NGNDHVAOUNIUMU-CQSZACIVSA-N 1 0 291.351 2.040 20 5 CEBDRO CC(C)(O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189896394 395333249 /nfs/dbraw/zinc/33/32/49/395333249.db2.gz ZVBXCZVRFBAQQK-UHFFFAOYSA-N 1 0 294.351 2.209 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000446065987 395480189 /nfs/dbraw/zinc/48/01/89/395480189.db2.gz GDDKNETUJMGCLE-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(C[N@H+](C)CC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000451247932 395598306 /nfs/dbraw/zinc/59/83/06/395598306.db2.gz CILSUERDQLLCSZ-UHFFFAOYSA-N 1 0 282.340 2.054 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000451262253 395600665 /nfs/dbraw/zinc/60/06/65/395600665.db2.gz XCHUFIXYGRUEGN-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000451356266 395609738 /nfs/dbraw/zinc/60/97/38/395609738.db2.gz AOCABHXTKNBTPB-MRVPVSSYSA-N 1 0 258.343 2.248 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291911 395627503 /nfs/dbraw/zinc/62/75/03/395627503.db2.gz JMRFSGICFNIYDS-REWMRKHYSA-N 1 0 296.392 2.329 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363395762 296517179 /nfs/dbraw/zinc/51/71/79/296517179.db2.gz MVRPSQCSPSSJCX-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000360042164 155198748 /nfs/dbraw/zinc/19/87/48/155198748.db2.gz UECNBMZAQROHTB-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261994743 153888879 /nfs/dbraw/zinc/88/88/79/153888879.db2.gz NALNQJKXAMHXGR-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]([NH+](CC)CC)C1 ZINC000360984791 155422782 /nfs/dbraw/zinc/42/27/82/155422782.db2.gz LUUCLPAFWZNHQJ-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO COc1cc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000166905557 162354797 /nfs/dbraw/zinc/35/47/97/162354797.db2.gz XVTDXENGJWBUJB-SNVBAGLBSA-N 1 0 265.313 2.157 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@H]1C(F)F ZINC000563135550 298741104 /nfs/dbraw/zinc/74/11/04/298741104.db2.gz MNWIAYYIXFOHHC-LQPUYASZSA-N 1 0 297.305 2.147 20 5 CEBDRO CO[C@H]1C[C@@H](CN(C)c2cc(C)ccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000284504027 196071337 /nfs/dbraw/zinc/07/13/37/196071337.db2.gz ILSKNMIGQUALFG-STQMWFEESA-N 1 0 293.367 2.059 20 5 CEBDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020544135 171243108 /nfs/dbraw/zinc/24/31/08/171243108.db2.gz DIOOZHZVRPBQFV-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120556 196201157 /nfs/dbraw/zinc/20/11/57/196201157.db2.gz KZYYIXKZJJKRIC-MJVIPROJSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285151484 196208335 /nfs/dbraw/zinc/20/83/35/196208335.db2.gz MFUBJKFESOEKKE-LLVKDONJSA-N 1 0 281.356 2.380 20 5 CEBDRO CO[C@@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285206968 196220444 /nfs/dbraw/zinc/22/04/44/196220444.db2.gz DIPDCNAQTQAKEI-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602243 172291042 /nfs/dbraw/zinc/29/10/42/172291042.db2.gz KPGHISIHKSJWQS-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CCO)CCCC2)c1 ZINC000285660500 196358802 /nfs/dbraw/zinc/35/88/02/196358802.db2.gz ZCBJPNBLRLVRRF-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177000 173010479 /nfs/dbraw/zinc/01/04/79/173010479.db2.gz ZLTXUHOMVFKIGR-MFKMUULPSA-N 1 0 250.298 2.424 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060577 174071402 /nfs/dbraw/zinc/07/14/02/174071402.db2.gz YVHUJWXPCGHHNP-ZIAGYGMSSA-N 1 0 280.324 2.051 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000038079453 174089233 /nfs/dbraw/zinc/08/92/33/174089233.db2.gz UGTGNOQEBOOHMO-JTQLQIEISA-N 1 0 250.298 2.362 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000038094236 174107360 /nfs/dbraw/zinc/10/73/60/174107360.db2.gz XPPCNILOJBPONZ-LLVKDONJSA-N 1 0 250.298 2.029 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000040411609 174254698 /nfs/dbraw/zinc/25/46/98/174254698.db2.gz REGPIFHVZWXQIX-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672681 174370612 /nfs/dbraw/zinc/37/06/12/174370612.db2.gz QEABEDVAOVTKEP-AAEUAGOBSA-N 1 0 263.341 2.340 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045134152 175311926 /nfs/dbraw/zinc/31/19/26/175311926.db2.gz FGXHQGNNIACUPY-GFCCVEGCSA-N 1 0 250.298 2.492 20 5 CEBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000071331898 176125310 /nfs/dbraw/zinc/12/53/10/176125310.db2.gz PPEGUZHMGCTEKY-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO C[N@H+](CCNc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000071377628 176142764 /nfs/dbraw/zinc/14/27/64/176142764.db2.gz OTTXBSMPSFFDFC-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000182736053 287434493 /nfs/dbraw/zinc/43/44/93/287434493.db2.gz APUSMXHREMPBQZ-ODOQXGPZSA-N 1 0 293.367 2.171 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000356087892 228116340 /nfs/dbraw/zinc/11/63/40/228116340.db2.gz TXEGIOHLHCTODI-QWRGUYRKSA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1O ZINC000449139019 260244728 /nfs/dbraw/zinc/24/47/28/260244728.db2.gz JQECVJLBNYJOLY-ZLDLUXBVSA-N 1 0 278.352 2.419 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449069626 261147808 /nfs/dbraw/zinc/14/78/08/261147808.db2.gz HWMHWNURZJKGTP-RISCZKNCSA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)[C@@](C)(CN)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000430570751 263298641 /nfs/dbraw/zinc/29/86/41/263298641.db2.gz CCSFDZMQTPHWGZ-CQSZACIVSA-N 1 0 265.357 2.100 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019433 270224895 /nfs/dbraw/zinc/22/48/95/270224895.db2.gz MXUQGSNWBOSCPI-WDEREUQCSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312125375 270333371 /nfs/dbraw/zinc/33/33/71/270333371.db2.gz YXTVHVLHKZBWSP-KOLCDFICSA-N 1 0 267.304 2.216 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397407319 270354229 /nfs/dbraw/zinc/35/42/29/270354229.db2.gz MIZLBQQXEVKPIJ-NTZNESFSSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000398885811 270364225 /nfs/dbraw/zinc/36/42/25/270364225.db2.gz BXLRHLCMGIGSJQ-WCQYABFASA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851366 270962010 /nfs/dbraw/zinc/96/20/10/270962010.db2.gz RUMBGRLSKNBTEP-MRVPVSSYSA-N 1 0 297.742 2.005 20 5 CEBDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000428429134 271264828 /nfs/dbraw/zinc/26/48/28/271264828.db2.gz ZTIPQMZNMJTYBS-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO O=C1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000429677003 271340755 /nfs/dbraw/zinc/34/07/55/271340755.db2.gz UNJPBKCTZDHBDZ-AOOOYVTPSA-N 1 0 278.283 2.430 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C1 ZINC000430211270 271363210 /nfs/dbraw/zinc/36/32/10/271363210.db2.gz XJKOCYHJBWILNH-JTQLQIEISA-N 1 0 250.298 2.445 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)(C)O)C1CC1 ZINC000430212264 271363292 /nfs/dbraw/zinc/36/32/92/271363292.db2.gz LPVWZGKYRSOYME-UHFFFAOYSA-N 1 0 294.351 2.339 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](C)[NH3+] ZINC000430292134 271371738 /nfs/dbraw/zinc/37/17/38/271371738.db2.gz WHLWNBZGIXTDDB-NSHDSACASA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000430550703 271388981 /nfs/dbraw/zinc/38/89/81/271388981.db2.gz ZLYYDOVGIHNJHJ-WFASDCNBSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335829 274612506 /nfs/dbraw/zinc/61/25/06/274612506.db2.gz LSRLQHPGIYIEBU-VHSXEESVSA-N 1 0 282.369 2.114 20 5 CEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590225 274639203 /nfs/dbraw/zinc/63/92/03/274639203.db2.gz YXCOFRIPGPNXCO-UWVGGRQHSA-N 1 0 282.369 2.114 20 5 CEBDRO Cc1cc(N2CC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228485410 274709132 /nfs/dbraw/zinc/70/91/32/274709132.db2.gz VCFZNTXLHCICKU-LLVKDONJSA-N 1 0 287.319 2.270 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000041664526 275587145 /nfs/dbraw/zinc/58/71/45/275587145.db2.gz NUPFLXQMXZAPGX-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000348699076 276310026 /nfs/dbraw/zinc/31/00/26/276310026.db2.gz AGSUQBXHRRKCAZ-VFFGBVLKSA-N 1 0 264.325 2.311 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339105561 276330440 /nfs/dbraw/zinc/33/04/40/276330440.db2.gz NXPNDWVHZJEIOJ-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237256392 277032876 /nfs/dbraw/zinc/03/28/76/277032876.db2.gz AGCSMTNRNJVIKO-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133201031 277294818 /nfs/dbraw/zinc/29/48/18/277294818.db2.gz COPGXDFFZAUHNL-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271859 277353990 /nfs/dbraw/zinc/35/39/90/277353990.db2.gz DEWVURCIFSPCRD-NWDGAFQWSA-N 1 0 292.335 2.459 20 5 CEBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000291675629 277832720 /nfs/dbraw/zinc/83/27/20/277832720.db2.gz DSNCHOZFCHEQMS-SECBINFHSA-N 1 0 285.319 2.352 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191406 278227485 /nfs/dbraw/zinc/22/74/85/278227485.db2.gz UZWYTUKFQFXPGE-FZMZJTMJSA-N 1 0 263.341 2.297 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000094259808 278340279 /nfs/dbraw/zinc/34/02/79/278340279.db2.gz YGDCWGWGHJRYTC-SNVBAGLBSA-N 1 0 250.298 2.282 20 5 CEBDRO CCN(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054110175 279033530 /nfs/dbraw/zinc/03/35/30/279033530.db2.gz WAHUICYATFGULX-LLVKDONJSA-N 1 0 251.330 2.197 20 5 CEBDRO C[C@@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176235633 279134287 /nfs/dbraw/zinc/13/42/87/279134287.db2.gz COJSRFDMAIAMML-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176206152 279241882 /nfs/dbraw/zinc/24/18/82/279241882.db2.gz TWNIQEZLWWPXBW-SNVBAGLBSA-N 1 0 264.329 2.054 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235449902 279280717 /nfs/dbraw/zinc/28/07/17/279280717.db2.gz ADXYQUOMGRVKKF-SSDOTTSWSA-N 1 0 292.261 2.371 20 5 CEBDRO CSCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000134196072 280015082 /nfs/dbraw/zinc/01/50/82/280015082.db2.gz KHFLPFSAEUSIPR-UHFFFAOYSA-N 1 0 297.380 2.218 20 5 CEBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000063192851 280205371 /nfs/dbraw/zinc/20/53/71/280205371.db2.gz RQKSCAXESKQHCN-FZMZJTMJSA-N 1 0 291.351 2.245 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160077345 280364488 /nfs/dbraw/zinc/36/44/88/280364488.db2.gz JMUOKYCCLDAZIF-UHFFFAOYSA-N 1 0 264.325 2.237 20 5 CEBDRO Cc1cccc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000365057290 281229910 /nfs/dbraw/zinc/22/99/10/281229910.db2.gz VLSUJGQLCRWGMF-TZMCWYRMSA-N 1 0 275.352 2.434 20 5 CEBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000445890867 281704897 /nfs/dbraw/zinc/70/48/97/281704897.db2.gz QFHPKFJOPFNGRF-VIFPVBQESA-N 1 0 294.277 2.358 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000447066892 281801986 /nfs/dbraw/zinc/80/19/86/281801986.db2.gz GQFZUEHZCQQOPF-OAHLLOKOSA-N 1 0 294.351 2.188 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000158253505 289230484 /nfs/dbraw/zinc/23/04/84/289230484.db2.gz MZBLVEYWPKEVLY-QWHCGFSZSA-N 1 0 293.367 2.046 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000149432783 289780364 /nfs/dbraw/zinc/78/03/64/289780364.db2.gz UTPMHSAJFJZKRM-DTWKUNHWSA-N 1 0 284.747 2.207 20 5 CEBDRO COc1cc(CNC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000459551915 290177323 /nfs/dbraw/zinc/17/73/23/290177323.db2.gz UHVGICFSTWYBPW-UHFFFAOYSA-N 1 0 299.346 2.172 20 5 CEBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000459815964 290247693 /nfs/dbraw/zinc/24/76/93/290247693.db2.gz YZMHXWASWGFBQB-CQSZACIVSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283421 290387244 /nfs/dbraw/zinc/38/72/44/290387244.db2.gz KCKQXFRSHVPUJF-STQMWFEESA-N 1 0 275.352 2.373 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156800201 294070514 /nfs/dbraw/zinc/07/05/14/294070514.db2.gz RJLUHDSYDJBSFL-KWQFWETISA-N 1 0 297.380 2.164 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000237839410 295208770 /nfs/dbraw/zinc/20/87/70/295208770.db2.gz ICQPPIJKDXVAOL-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000070148841 295239728 /nfs/dbraw/zinc/23/97/28/295239728.db2.gz ZYRFWNRMHFNBJU-LLVKDONJSA-N 1 0 269.370 2.360 20 5 CEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044528580 295269038 /nfs/dbraw/zinc/26/90/38/295269038.db2.gz PMAKGRYRIUDWKI-SECBINFHSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000515342448 297570617 /nfs/dbraw/zinc/57/06/17/297570617.db2.gz MMBMMSVGPYXSBF-CYBMUJFWSA-N 1 0 296.758 2.223 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(=O)N(C)C ZINC000539040287 298243942 /nfs/dbraw/zinc/24/39/42/298243942.db2.gz MOQFQOHMTTVKAL-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000539124802 298245061 /nfs/dbraw/zinc/24/50/61/298245061.db2.gz UCWPUTKPCZTWMG-GHMZBOCLSA-N 1 0 279.340 2.031 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCO)CC1 ZINC000544608083 298324560 /nfs/dbraw/zinc/32/45/60/298324560.db2.gz OAKWMKHHFSMENJ-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[C@H]1CCOC1)C2 ZINC000527116952 313168308 /nfs/dbraw/zinc/16/83/08/313168308.db2.gz NDRHTHBXIXNBBL-LBPRGKRZSA-N 1 0 276.336 2.380 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567867915 313913373 /nfs/dbraw/zinc/91/33/73/313913373.db2.gz ZFWBBBQPWHSXOF-QWRGUYRKSA-N 1 0 294.355 2.459 20 5 CEBDRO CSc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000567926294 313922712 /nfs/dbraw/zinc/92/27/12/313922712.db2.gz FXTJLEHDHGRVPG-RKDXNWHRSA-N 1 0 297.380 2.172 20 5 CEBDRO Cn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000574170506 314193733 /nfs/dbraw/zinc/19/37/33/314193733.db2.gz GJLREIPEPRHXOA-ZDUSSCGKSA-N 1 0 272.308 2.105 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137171 314209102 /nfs/dbraw/zinc/20/91/02/314209102.db2.gz QVHGKLBHTQSQRD-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155799 314247835 /nfs/dbraw/zinc/24/78/35/314247835.db2.gz HJYADFJVUXVAMS-ABAIWWIYSA-N 1 0 292.335 2.214 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579109398 314550199 /nfs/dbraw/zinc/55/01/99/314550199.db2.gz SPSIEXUOXWXRDM-SNVBAGLBSA-N 1 0 278.356 2.136 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000580948168 322356733 /nfs/dbraw/zinc/35/67/33/322356733.db2.gz GMPCEMBQSCWWTE-BDAKNGLRSA-N 1 0 272.732 2.150 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000581131633 322371726 /nfs/dbraw/zinc/37/17/26/322371726.db2.gz NOCVBAHNBIFOAP-QWRGUYRKSA-N 1 0 281.356 2.209 20 5 CEBDRO CC(C)[NH2+]CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000581262352 322382836 /nfs/dbraw/zinc/38/28/36/322382836.db2.gz UDDWGQDXTLCQSH-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000583190908 322529922 /nfs/dbraw/zinc/52/99/22/322529922.db2.gz JWAUPAJXLLDMFC-NSHDSACASA-N 1 0 294.330 2.194 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171841988 534064089 /nfs/dbraw/zinc/06/40/89/534064089.db2.gz PQSXBFSPKGWIBG-CQSZACIVSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291832723 534093132 /nfs/dbraw/zinc/09/31/32/534093132.db2.gz LHONZZVSFPIUSF-VIFPVBQESA-N 1 0 255.293 2.344 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414656222 534342831 /nfs/dbraw/zinc/34/28/31/534342831.db2.gz IBTJUHNYKFWYOP-JQWIXIFHSA-N 1 0 292.339 2.023 20 5 CEBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000052812529 521581901 /nfs/dbraw/zinc/58/19/01/521581901.db2.gz HMRMEHUEICWECJ-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051736 521936811 /nfs/dbraw/zinc/93/68/11/521936811.db2.gz XZRDDKDRWVWSOP-UWVGGRQHSA-N 1 0 279.340 2.218 20 5 CEBDRO C[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000054241166 523764543 /nfs/dbraw/zinc/76/45/43/523764543.db2.gz SSGNBLDVPWHLJI-UHFFFAOYSA-N 1 0 267.304 2.488 20 5 CEBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676409 523972388 /nfs/dbraw/zinc/97/23/88/523972388.db2.gz PFDZMZSUFBRARI-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(O)CC1 ZINC000183351843 525563971 /nfs/dbraw/zinc/56/39/71/525563971.db2.gz ILLCJODBHOHAOF-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000050162410 525633607 /nfs/dbraw/zinc/63/36/07/525633607.db2.gz OQVQKJUNQIDQOS-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cnc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000183929139 525981895 /nfs/dbraw/zinc/98/18/95/525981895.db2.gz HXYPWGOYHOTMPV-UHFFFAOYSA-N 1 0 295.368 2.081 20 5 CEBDRO [NH3+]C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050444797 527143567 /nfs/dbraw/zinc/14/35/67/527143567.db2.gz RRLFTIFCHKKDLQ-UHFFFAOYSA-N 1 0 269.732 2.171 20 5 CEBDRO [NH3+]CCCCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943212 527173926 /nfs/dbraw/zinc/17/39/26/527173926.db2.gz XFUOMXGOLARJJT-UHFFFAOYSA-N 1 0 279.340 2.120 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000365117617 527406628 /nfs/dbraw/zinc/40/66/28/527406628.db2.gz QQRQQGAKZKKXOA-UHFFFAOYSA-N 1 0 276.296 2.221 20 5 CEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000248220425 535101488 /nfs/dbraw/zinc/10/14/88/535101488.db2.gz HOSFOMBMWFLCEJ-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CC[N@H+](CCNc1cccnc1[N+](=O)[O-])C(C)C ZINC000726594849 574427868 /nfs/dbraw/zinc/42/78/68/574427868.db2.gz GOXVFTPUBJMLFP-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000754080397 574522764 /nfs/dbraw/zinc/52/27/64/574522764.db2.gz USUWGSCJEUWTLZ-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923802 575301220 /nfs/dbraw/zinc/30/12/20/575301220.db2.gz BLRQXCVRNSWQDK-NXEZZACHSA-N 1 0 289.339 2.193 20 5 CEBDRO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000253336709 622703108 /nfs/dbraw/zinc/70/31/08/622703108.db2.gz YPLFYVBJLJTBSW-TVQRCGJNSA-N 1 0 284.743 2.451 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000261568322 623380130 /nfs/dbraw/zinc/38/01/30/623380130.db2.gz JZCXYXDVANZGIW-ZDUSSCGKSA-N 1 0 263.341 2.073 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1C ZINC000090795135 623629568 /nfs/dbraw/zinc/62/95/68/623629568.db2.gz PAWLCEHRPAUKOD-DTWKUNHWSA-N 1 0 291.311 2.026 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(C)CC1 ZINC000891830094 624003072 /nfs/dbraw/zinc/00/30/72/624003072.db2.gz MIQGPUPOGSRUHB-UHFFFAOYSA-N 1 0 294.355 2.142 20 5 CEBDRO C[C@H]1CCC[C@](CNc2c([N+](=O)[O-])cnn2C)([NH+](C)C)C1 ZINC000891956509 624157378 /nfs/dbraw/zinc/15/73/78/624157378.db2.gz UNWGNJKSIOQPKQ-FZMZJTMJSA-N 1 0 295.387 2.251 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124401 624245231 /nfs/dbraw/zinc/24/52/31/624245231.db2.gz HSQQJYYGYHXMKY-DGCLKSJQSA-N 1 0 280.324 2.083 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124400 624245494 /nfs/dbraw/zinc/24/54/94/624245494.db2.gz HSQQJYYGYHXMKY-AAEUAGOBSA-N 1 0 280.324 2.083 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124019 624246793 /nfs/dbraw/zinc/24/67/93/624246793.db2.gz GSDDEWIFNKPZPE-STQMWFEESA-N 1 0 250.298 2.204 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000934125624 624247724 /nfs/dbraw/zinc/24/77/24/624247724.db2.gz SAEQUIUWEWKMIL-KBPBESRZSA-N 1 0 280.324 2.083 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNCC[NH+]1CCCC1 ZINC000084439758 624265028 /nfs/dbraw/zinc/26/50/28/624265028.db2.gz OEZCLTOHJBGDGD-UHFFFAOYSA-N 1 0 283.759 2.434 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1OC ZINC000892283206 624626426 /nfs/dbraw/zinc/62/64/26/624626426.db2.gz CHNGOIFVOIFEFG-SNVBAGLBSA-N 1 0 282.344 2.141 20 5 CEBDRO CCn1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000902195006 634519920 /nfs/dbraw/zinc/51/99/20/634519920.db2.gz JUUSENQMIQCZLF-UHFFFAOYSA-N 1 0 274.324 2.144 20 5 CEBDRO CON(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850479941 627287143 /nfs/dbraw/zinc/28/71/43/627287143.db2.gz GNZHGKWJAJRXIE-LLVKDONJSA-N 1 0 267.329 2.047 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931037513 628339691 /nfs/dbraw/zinc/33/96/91/628339691.db2.gz DPDYURIMNVLQKE-SMDDNHRTSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313467760 628603685 /nfs/dbraw/zinc/60/36/85/628603685.db2.gz DVFUXNVARVAEPM-ZWNOBZJWSA-N 1 0 281.331 2.258 20 5 CEBDRO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633647 628688063 /nfs/dbraw/zinc/68/80/63/628688063.db2.gz VVAUZCRXALPASK-SNVBAGLBSA-N 1 0 283.759 2.290 20 5 CEBDRO Cc1c([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC000902471391 634687935 /nfs/dbraw/zinc/68/79/35/634687935.db2.gz ONWDRUMWWPNSEK-ZMJPVWNMSA-N 1 0 275.352 2.447 20 5 CEBDRO [NH3+][C@H]1CCCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000236330007 628975279 /nfs/dbraw/zinc/97/52/79/628975279.db2.gz RRWRRWIRJNRWPM-ZETCQYMHSA-N 1 0 273.695 2.315 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H](C)CO ZINC000877527176 629178498 /nfs/dbraw/zinc/17/84/98/629178498.db2.gz PRRQXMAGXNJCSS-SNVBAGLBSA-N 1 0 252.314 2.024 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000924953268 629290380 /nfs/dbraw/zinc/29/03/80/629290380.db2.gz AWLRSJPFZONLBV-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000237132707 629305357 /nfs/dbraw/zinc/30/53/57/629305357.db2.gz LVPRKDLBTHRGQQ-UHFFFAOYSA-N 1 0 266.297 2.026 20 5 CEBDRO Cc1coc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000894767098 629632505 /nfs/dbraw/zinc/63/25/05/629632505.db2.gz SFZMZBVSLDACDN-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO Cc1ccnc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894797587 629646292 /nfs/dbraw/zinc/64/62/92/629646292.db2.gz NMTMLPOZZTWQLQ-HUUCEWRRSA-N 1 0 290.367 2.076 20 5 CEBDRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000821566222 634753854 /nfs/dbraw/zinc/75/38/54/634753854.db2.gz VVHLCOIKCGBZEF-SNVBAGLBSA-N 1 0 294.355 2.222 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049217042 629854147 /nfs/dbraw/zinc/85/41/47/629854147.db2.gz KCXLFISNJAWCEZ-ZDUSSCGKSA-N 1 0 297.330 2.050 20 5 CEBDRO Cc1cc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000896818758 630679010 /nfs/dbraw/zinc/67/90/10/630679010.db2.gz HKIWRRQGXJDETQ-UHFFFAOYSA-N 1 0 288.351 2.012 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000320558226 630932741 /nfs/dbraw/zinc/93/27/41/630932741.db2.gz QLPHAGPTUZFYBF-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])on1 ZINC000925155503 631123835 /nfs/dbraw/zinc/12/38/35/631123835.db2.gz VWUPEZYQKPNYMM-SNVBAGLBSA-N 1 0 291.307 2.485 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459138 631529911 /nfs/dbraw/zinc/52/99/11/631529911.db2.gz IMEOISNNMVHSNQ-MNOVXSKESA-N 1 0 280.324 2.240 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804376949 631671930 /nfs/dbraw/zinc/67/19/30/631671930.db2.gz NXEWQGPJKBAOPT-VIFPVBQESA-N 1 0 280.284 2.009 20 5 CEBDRO C[N@H+]1CC=C(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804595680 631710789 /nfs/dbraw/zinc/71/07/89/631710789.db2.gz ILZVHRWOBMQZFP-UHFFFAOYSA-N 1 0 292.295 2.177 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841029492 631811375 /nfs/dbraw/zinc/81/13/75/631811375.db2.gz HUSZFPQDKNNZSX-NSHDSACASA-N 1 0 271.748 2.321 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(CCO)C2)c(Cl)c1 ZINC000898012151 632002383 /nfs/dbraw/zinc/00/23/83/632002383.db2.gz ZEFHSMVRXGPVBE-UHFFFAOYSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000841043968 632340769 /nfs/dbraw/zinc/34/07/69/632340769.db2.gz ZVSQWPZTGREBPV-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000927005110 632413840 /nfs/dbraw/zinc/41/38/40/632413840.db2.gz IRNGLMOYHWAJCW-NSHDSACASA-N 1 0 292.335 2.399 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561788 633031512 /nfs/dbraw/zinc/03/15/12/633031512.db2.gz PXXBTXDABCYYKF-BMIGLBTASA-N 1 0 292.383 2.168 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582690 633034990 /nfs/dbraw/zinc/03/49/90/633034990.db2.gz MXJLDDUPAXFHMX-LOWVWBTDSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C34CCC(CC3)[NH2+]4)n2)cc1 ZINC000899995235 633164450 /nfs/dbraw/zinc/16/44/50/633164450.db2.gz WYYXQRCIBVZKHE-UHFFFAOYSA-N 1 0 286.291 2.386 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000323609446 633186935 /nfs/dbraw/zinc/18/69/35/633186935.db2.gz AWTYQBJNWFBVPH-ZYHUDNBSSA-N 1 0 270.716 2.251 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000819194580 634101099 /nfs/dbraw/zinc/10/10/99/634101099.db2.gz RXXRXHJYJBCXJR-HZMBPMFUSA-N 1 0 275.308 2.307 20 5 CEBDRO COCCC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819227498 634109776 /nfs/dbraw/zinc/10/97/76/634109776.db2.gz OSEDLBXRQFWWLF-AWEZNQCLSA-N 1 0 296.367 2.281 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000819271113 634123166 /nfs/dbraw/zinc/12/31/66/634123166.db2.gz NTCWZKLGBVFCTO-RFQIPJPRSA-N 1 0 262.309 2.016 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310052 634135003 /nfs/dbraw/zinc/13/50/03/634135003.db2.gz YEXJHXFWULSQEK-CHWSQXEVSA-N 1 0 264.325 2.406 20 5 CEBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819356205 634152131 /nfs/dbraw/zinc/15/21/31/634152131.db2.gz CLGSVUUTMCXJLO-CYBMUJFWSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819364678 634157312 /nfs/dbraw/zinc/15/73/12/634157312.db2.gz VJIKMFONJZKXNF-BFHYXJOUSA-N 1 0 264.325 2.262 20 5 CEBDRO O=C(CC[N@@H+]1CCC[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000902995368 634924650 /nfs/dbraw/zinc/92/46/50/634924650.db2.gz CJURBAFPZSNWDX-NSHDSACASA-N 1 0 295.314 2.357 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC000903075942 634958249 /nfs/dbraw/zinc/95/82/49/634958249.db2.gz HKIUXFRDOLCOFS-SNVBAGLBSA-N 1 0 290.323 2.188 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903076624 634958283 /nfs/dbraw/zinc/95/82/83/634958283.db2.gz SPTBPSPELOGEEY-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO Nc1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635018 634959784 /nfs/dbraw/zinc/95/97/84/634959784.db2.gz NHYVVEAGVNSIHY-SNVBAGLBSA-N 1 0 289.295 2.042 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646428 634962229 /nfs/dbraw/zinc/96/22/29/634962229.db2.gz HAGXBZBJDKFWKN-IUCAKERBSA-N 1 0 276.296 2.019 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646381 634962355 /nfs/dbraw/zinc/96/23/55/634962355.db2.gz GDGICVGSUPFCQL-GXSJLCMTSA-N 1 0 288.307 2.034 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)cc([N+](=O)[O-])c1 ZINC000903120281 634980695 /nfs/dbraw/zinc/98/06/95/634980695.db2.gz NCPIETDWHQTXPG-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1ccc(-c2noc([C@H]3CC[NH2+][C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000822722983 634981467 /nfs/dbraw/zinc/98/14/67/634981467.db2.gz MSYQJZAKGBEMQV-KOLCDFICSA-N 1 0 288.307 2.419 20 5 CEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822726918 634982348 /nfs/dbraw/zinc/98/23/48/634982348.db2.gz VUWFYQFZKGUCLK-STQMWFEESA-N 1 0 299.415 2.059 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn(C)cn1 ZINC000903350378 635079335 /nfs/dbraw/zinc/07/93/35/635079335.db2.gz BLCOJAKHTPMXOR-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269248 635118823 /nfs/dbraw/zinc/11/88/23/635118823.db2.gz FRIQDVAIEJSMGJ-JGVFFNPUSA-N 1 0 278.268 2.093 20 5 CEBDRO Cc1c(-c2noc(C[C@@H]3CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000823268986 635119207 /nfs/dbraw/zinc/11/92/07/635119207.db2.gz AWGWDBJYFGIOIB-JTQLQIEISA-N 1 0 288.307 2.105 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269250 635119282 /nfs/dbraw/zinc/11/92/82/635119282.db2.gz FRIQDVAIEJSMGJ-YUMQZZPRSA-N 1 0 278.268 2.093 20 5 CEBDRO Cc1c(-c2noc([C@@H](C)[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269916 635119377 /nfs/dbraw/zinc/11/93/77/635119377.db2.gz LQQYNCXNGHWIDB-IONNQARKSA-N 1 0 276.296 2.404 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823324252 635138526 /nfs/dbraw/zinc/13/85/26/635138526.db2.gz GEMUHHMPBBKXEU-CYBMUJFWSA-N 1 0 299.415 2.203 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903797936 635275761 /nfs/dbraw/zinc/27/57/61/635275761.db2.gz LLQSIILYPSHEIK-WFASDCNBSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903799094 635276412 /nfs/dbraw/zinc/27/64/12/635276412.db2.gz QOCXAPIYVLQKKW-DOMZBBRYSA-N 1 0 293.342 2.437 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@]23CC[NH2+]C3)c(F)c1 ZINC000903866460 635300817 /nfs/dbraw/zinc/30/08/17/635300817.db2.gz JJFFOBTWXTUKAJ-AWEZNQCLSA-N 1 0 279.315 2.062 20 5 CEBDRO CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000903984452 635403160 /nfs/dbraw/zinc/40/31/60/635403160.db2.gz AUOOVLGMXDICBQ-HZRUHFOJSA-N 1 0 275.352 2.277 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000904005020 635413645 /nfs/dbraw/zinc/41/36/45/635413645.db2.gz WRYQDEUEJFEVAA-UHFFFAOYSA-N 1 0 284.287 2.418 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000904081932 635441702 /nfs/dbraw/zinc/44/17/02/635441702.db2.gz YMXZEEAEIIKZRB-NSHDSACASA-N 1 0 288.307 2.358 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000924800287 635697706 /nfs/dbraw/zinc/69/77/06/635697706.db2.gz XOIUTMNJRQRZIL-WHOFXGATSA-N 1 0 275.352 2.340 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000904919915 635761770 /nfs/dbraw/zinc/76/17/70/635761770.db2.gz UHWZBGGPQDREPA-CQSZACIVSA-N 1 0 277.324 2.001 20 5 CEBDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]CC[N+](=O)[O-])c1C ZINC000905059749 635805833 /nfs/dbraw/zinc/80/58/33/635805833.db2.gz HXXVNAGJBBJNNQ-UHFFFAOYSA-N 1 0 261.325 2.459 20 5 CEBDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]CC[N+](=O)[O-] ZINC000905066012 635809625 /nfs/dbraw/zinc/80/96/25/635809625.db2.gz AIBOUEPPARKWMV-SECBINFHSA-N 1 0 292.257 2.339 20 5 CEBDRO O=[N+]([O-])CCNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000905072597 635812487 /nfs/dbraw/zinc/81/24/87/635812487.db2.gz BLOFDNUKQOAEEH-UHFFFAOYSA-N 1 0 291.395 2.429 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000905118668 635825181 /nfs/dbraw/zinc/82/51/81/635825181.db2.gz UYGICWLWCBXOFF-OAHLLOKOSA-N 1 0 278.352 2.337 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000905274218 636202024 /nfs/dbraw/zinc/20/20/24/636202024.db2.gz NWLGHOFIYFRTIM-GFCCVEGCSA-N 1 0 256.252 2.209 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000905365594 636246681 /nfs/dbraw/zinc/24/66/81/636246681.db2.gz KOJTVKQIYOOPIS-INIZCTEOSA-N 1 0 286.331 2.253 20 5 CEBDRO COC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905615875 636359636 /nfs/dbraw/zinc/35/96/36/636359636.db2.gz GCGYUXNXBJVJSW-UKRRQHHQSA-N 1 0 296.367 2.136 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876545829 650316558 /nfs/dbraw/zinc/31/65/58/650316558.db2.gz VKIZIQRWWZUGBZ-JQWIXIFHSA-N 1 0 277.324 2.215 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000831338532 637291856 /nfs/dbraw/zinc/29/18/56/637291856.db2.gz KJMFICLPOVNBSH-HZSPNIEDSA-N 1 0 294.351 2.031 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910293624 637997858 /nfs/dbraw/zinc/99/78/58/637997858.db2.gz PUVDOTGTHDVTPJ-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911761596 638409581 /nfs/dbraw/zinc/40/95/81/638409581.db2.gz FTLVKFVAJHMARW-UHFFFAOYSA-N 1 0 299.758 2.034 20 5 CEBDRO CCC(CC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876886040 650474184 /nfs/dbraw/zinc/47/41/84/650474184.db2.gz QWZFYHJTYIYYLN-UHFFFAOYSA-N 1 0 252.318 2.273 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCCC3)C2)c1 ZINC000876916260 650485237 /nfs/dbraw/zinc/48/52/37/650485237.db2.gz PNONYQBDHKVSIW-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226109499 639524178 /nfs/dbraw/zinc/52/41/78/639524178.db2.gz KKLSBNVGZOYUEY-AWEZNQCLSA-N 1 0 266.341 2.134 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840893092 639575182 /nfs/dbraw/zinc/57/51/82/639575182.db2.gz DFZKDZFGZOHTDG-GMXVVIOVSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109174 639617704 /nfs/dbraw/zinc/61/77/04/639617704.db2.gz FKNBHNRMHLOVCH-IUCAKERBSA-N 1 0 272.732 2.497 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841085522 639650716 /nfs/dbraw/zinc/65/07/16/639650716.db2.gz GBTOVRJJXQFNSL-GFCCVEGCSA-N 1 0 283.759 2.478 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[NH2+]CC1 ZINC000841102600 639668369 /nfs/dbraw/zinc/66/83/69/639668369.db2.gz GBSTXRQNQNJVSK-UHFFFAOYSA-N 1 0 298.730 2.075 20 5 CEBDRO Cc1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000841106376 639683147 /nfs/dbraw/zinc/68/31/47/639683147.db2.gz LGLGPUAOHYXLOZ-HNNXBMFYSA-N 1 0 275.352 2.231 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172196124 639753583 /nfs/dbraw/zinc/75/35/83/639753583.db2.gz WCEUHGKQYDDBSC-LLVKDONJSA-N 1 0 281.331 2.117 20 5 CEBDRO CC1(C)[C@@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000172938463 639830190 /nfs/dbraw/zinc/83/01/90/639830190.db2.gz FZMCFNKKPPLZAY-BETUJISGSA-N 1 0 286.335 2.490 20 5 CEBDRO O=[N+]([O-])c1ccc(CN(C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000231446140 639854582 /nfs/dbraw/zinc/85/45/82/639854582.db2.gz BYTLQDKLGVSYNU-CYBMUJFWSA-N 1 0 275.352 2.311 20 5 CEBDRO CC1CCC(OC2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC000929603219 639992975 /nfs/dbraw/zinc/99/29/75/639992975.db2.gz KSEDLJYPBICUTK-UHFFFAOYSA-N 1 0 270.373 2.323 20 5 CEBDRO C[C@@](O)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000877072795 650559510 /nfs/dbraw/zinc/55/95/10/650559510.db2.gz VRZLJXGUXITZLA-OAHLLOKOSA-N 1 0 290.319 2.228 20 5 CEBDRO [NH3+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843044185 640249356 /nfs/dbraw/zinc/24/93/56/640249356.db2.gz WXCGKRCCEGQDES-SNVBAGLBSA-N 1 0 269.732 2.171 20 5 CEBDRO CC(C)(C)C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843092126 640278462 /nfs/dbraw/zinc/27/84/62/640278462.db2.gz AJJPHSQOZUQGOP-TZMCWYRMSA-N 1 0 296.367 2.015 20 5 CEBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238813 640365641 /nfs/dbraw/zinc/36/56/41/640365641.db2.gz ZZFAFHFSQZTBTB-ZETCQYMHSA-N 1 0 266.257 2.298 20 5 CEBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCCO1 ZINC000877122849 650582236 /nfs/dbraw/zinc/58/22/36/650582236.db2.gz ATJUARWUHWBYRL-QUINOFQRSA-N 1 0 294.355 2.042 20 5 CEBDRO CC1([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877165063 650605452 /nfs/dbraw/zinc/60/54/52/650605452.db2.gz XPAIBXBMKHIPAJ-UHFFFAOYSA-N 1 0 250.302 2.027 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)CCF)c1 ZINC000846096318 641179607 /nfs/dbraw/zinc/17/96/07/641179607.db2.gz GIHBSPOAQJYLBN-VIFPVBQESA-N 1 0 276.695 2.058 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000877240640 650637203 /nfs/dbraw/zinc/63/72/03/650637203.db2.gz DZUICNJQHWBLMK-UHFFFAOYSA-N 1 0 293.367 2.285 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)OC1=O ZINC000846845416 641451013 /nfs/dbraw/zinc/45/10/13/641451013.db2.gz OAQGWGTVKITQBA-GWCFXTLKSA-N 1 0 293.323 2.086 20 5 CEBDRO COc1cncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000850226592 642627781 /nfs/dbraw/zinc/62/77/81/642627781.db2.gz QQCOFFRZVSBWFD-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480622 642727564 /nfs/dbraw/zinc/72/75/64/642727564.db2.gz AKZCZIISMJAZOD-KOLCDFICSA-N 1 0 279.340 2.395 20 5 CEBDRO CC(C)(F)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877628301 650821525 /nfs/dbraw/zinc/82/15/25/650821525.db2.gz GKUAZNBKCRSTMU-UHFFFAOYSA-N 1 0 270.308 2.223 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1COC(C)(C)O1 ZINC000852018150 643267025 /nfs/dbraw/zinc/26/70/25/643267025.db2.gz JDHDFLTVLXYXPR-AWEZNQCLSA-N 1 0 294.351 2.221 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977422 643380289 /nfs/dbraw/zinc/38/02/89/643380289.db2.gz WUFKVRIGBOCUEM-VXGBXAGGSA-N 1 0 293.367 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852669978 643505771 /nfs/dbraw/zinc/50/57/71/643505771.db2.gz UOEVHLLSZGQSSJ-JQWIXIFHSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(CNCC23CC(C2)C[NH2+]3)cc1Cl ZINC000853246884 643721428 /nfs/dbraw/zinc/72/14/28/643721428.db2.gz VUEONTWJWQOGSC-UHFFFAOYSA-N 1 0 281.743 2.090 20 5 CEBDRO Cc1c(CN(C)[C@H]2C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000877705945 650861997 /nfs/dbraw/zinc/86/19/97/650861997.db2.gz BIWPBCNZSMGSRC-INIZCTEOSA-N 1 0 289.379 2.429 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC000923497956 643739565 /nfs/dbraw/zinc/73/95/65/643739565.db2.gz NNBBHNLSYZUMTC-WDEREUQCSA-N 1 0 281.331 2.151 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)cs1 ZINC000923535211 643751927 /nfs/dbraw/zinc/75/19/27/643751927.db2.gz UVPFBSPLYRXFNU-ZDUSSCGKSA-N 1 0 281.381 2.374 20 5 CEBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000877722801 650871049 /nfs/dbraw/zinc/87/10/49/650871049.db2.gz KLNUBAUERRDFLX-NRUUGDAUSA-N 1 0 296.348 2.088 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000111829064 643965898 /nfs/dbraw/zinc/96/58/98/643965898.db2.gz WGIKGPGGWIWZQW-SECBINFHSA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739651 650882333 /nfs/dbraw/zinc/88/23/33/650882333.db2.gz PKWBIRBJBDJJRI-HOCLYGCPSA-N 1 0 289.379 2.429 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100868 644325167 /nfs/dbraw/zinc/32/51/67/644325167.db2.gz JJYIPGJNGIPVGB-OLZOCXBDSA-N 1 0 275.352 2.373 20 5 CEBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857088056 644814437 /nfs/dbraw/zinc/81/44/37/644814437.db2.gz YYZIMFGLSOFXMO-RISCZKNCSA-N 1 0 279.315 2.047 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759072687 644983083 /nfs/dbraw/zinc/98/30/83/644983083.db2.gz VJCVKSNBWSHXMX-KGLIPLIRSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859830109 645622418 /nfs/dbraw/zinc/62/24/18/645622418.db2.gz ZAANSEOVLBZBBZ-ABNINFQISA-N 1 0 294.351 2.030 20 5 CEBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862487900 646478199 /nfs/dbraw/zinc/47/81/99/646478199.db2.gz XPIWEFJUOWHQDT-CYBMUJFWSA-N 1 0 290.319 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000863561042 646757038 /nfs/dbraw/zinc/75/70/38/646757038.db2.gz BTNONJNBCCVWJU-SWLSCSKDSA-N 1 0 294.351 2.035 20 5 CEBDRO Cc1ccc(-c2noc(C3=CC[C@@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000863660370 646782778 /nfs/dbraw/zinc/78/27/78/646782778.db2.gz XFLZVMURQZNRHB-LLVKDONJSA-N 1 0 286.291 2.458 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275986 647044973 /nfs/dbraw/zinc/04/49/73/647044973.db2.gz JGPQFFVTGQHRGH-YGRLFVJLSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865692857 647426280 /nfs/dbraw/zinc/42/62/80/647426280.db2.gz GVWONGDTSALUTQ-JQPXUNLUSA-N 1 0 274.320 2.108 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] ZINC000865694523 647427540 /nfs/dbraw/zinc/42/75/40/647427540.db2.gz UFGLVINZQSICGC-XNHWPECASA-N 1 0 288.347 2.416 20 5 CEBDRO Cc1ccc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206062 647669265 /nfs/dbraw/zinc/66/92/65/647669265.db2.gz IYCXXVGQIQPMDI-CHWSQXEVSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000866239396 647687724 /nfs/dbraw/zinc/68/77/24/647687724.db2.gz QYEPMBCWPXNOCC-JTQLQIEISA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000866258428 647699419 /nfs/dbraw/zinc/69/94/19/647699419.db2.gz WFPDMZIPVVBSPU-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269464 647708139 /nfs/dbraw/zinc/70/81/39/647708139.db2.gz VDLHEOHPVQSSGC-NXEZZACHSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCO ZINC000866274984 647711846 /nfs/dbraw/zinc/71/18/46/647711846.db2.gz BYRGRVGWJGFALB-WDEREUQCSA-N 1 0 284.331 2.273 20 5 CEBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783620741 647739537 /nfs/dbraw/zinc/73/95/37/647739537.db2.gz OHAXEXVRJJKMGP-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(CO)CC1 ZINC000783732480 647753121 /nfs/dbraw/zinc/75/31/21/647753121.db2.gz FODMQZYPCNYRGN-UHFFFAOYSA-N 1 0 284.743 2.453 20 5 CEBDRO CC[C@@H](C)CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984678 648011172 /nfs/dbraw/zinc/01/11/72/648011172.db2.gz QZOZLHNPSTWGBG-IAQYHMDHSA-N 1 0 293.367 2.321 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[C@@](C)([NH3+])C2)cc1[N+](=O)[O-] ZINC000868080772 648045523 /nfs/dbraw/zinc/04/55/23/648045523.db2.gz YWSLJTBMXADLBO-OAHLLOKOSA-N 1 0 291.351 2.282 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000787972664 648155309 /nfs/dbraw/zinc/15/53/09/648155309.db2.gz OVEDZAAJNDMWHW-UHFFFAOYSA-N 1 0 278.308 2.238 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624942 648208878 /nfs/dbraw/zinc/20/88/78/648208878.db2.gz IHXYTJHMDDVOJS-GMXVVIOVSA-N 1 0 293.367 2.379 20 5 CEBDRO C[NH+](C)CCCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000792012465 648597196 /nfs/dbraw/zinc/59/71/96/648597196.db2.gz SQMIIRRPRYNLCV-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036102 649249161 /nfs/dbraw/zinc/24/91/61/649249161.db2.gz RVEQONTWHRJVEY-IUCAKERBSA-N 1 0 256.277 2.155 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062778 649258363 /nfs/dbraw/zinc/25/83/63/649258363.db2.gz POSYABJSWSCJNV-SNVBAGLBSA-N 1 0 292.314 2.361 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@H](O)C1 ZINC000872079137 649266169 /nfs/dbraw/zinc/26/61/69/649266169.db2.gz VFHCADLSHVXROP-KKZNHRDASA-N 1 0 282.365 2.491 20 5 CEBDRO CON1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078966 649266336 /nfs/dbraw/zinc/26/63/36/649266336.db2.gz FIPNVZUUYLMAEU-SNVBAGLBSA-N 1 0 297.330 2.410 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C(C)C ZINC000873051358 649544124 /nfs/dbraw/zinc/54/41/24/649544124.db2.gz AAAAEIHJYSWQEE-CQSZACIVSA-N 1 0 266.341 2.318 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000873080781 649553965 /nfs/dbraw/zinc/55/39/65/649553965.db2.gz SFYWDOVREARCDK-YBTHPKLGSA-N 1 0 298.408 2.458 20 5 CEBDRO CON1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873132193 649566038 /nfs/dbraw/zinc/56/60/38/649566038.db2.gz LBCDACHGYRSYCF-UHFFFAOYSA-N 1 0 293.367 2.327 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCC2CC2)CC1 ZINC000878693855 651166446 /nfs/dbraw/zinc/16/64/46/651166446.db2.gz HRXADEJMECQYRF-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccccc1[N+](=O)[O-] ZINC000880128963 651386786 /nfs/dbraw/zinc/38/67/86/651386786.db2.gz AQZBLFQICSMAEG-LSDHHAIUSA-N 1 0 275.352 2.263 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882057134 651948451 /nfs/dbraw/zinc/94/84/51/651948451.db2.gz OPKIOTCCPUHKJL-VHSXEESVSA-N 1 0 282.319 2.414 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000882072477 651952273 /nfs/dbraw/zinc/95/22/73/651952273.db2.gz FIBHGXBSPWTOAM-RKDXNWHRSA-N 1 0 280.303 2.166 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000129593277 652035894 /nfs/dbraw/zinc/03/58/94/652035894.db2.gz QOYDNFKTNHMORV-LLVKDONJSA-N 1 0 252.318 2.259 20 5 CEBDRO CN(c1ccnc(F)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000882350647 652042034 /nfs/dbraw/zinc/04/20/34/652042034.db2.gz HWVJLWXWMQNZOL-ZACCUICWSA-N 1 0 294.330 2.190 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000883238543 652410704 /nfs/dbraw/zinc/41/07/04/652410704.db2.gz FYOODBNNEATUAV-SNVBAGLBSA-N 1 0 278.308 2.365 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883356175 652440410 /nfs/dbraw/zinc/44/04/10/652440410.db2.gz HXRKOONQNDEJPD-SMDDNHRTSA-N 1 0 295.358 2.349 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH3+])CC2)c1C ZINC000884020471 652632758 /nfs/dbraw/zinc/63/27/58/652632758.db2.gz ZEZVOWNBWPHXDA-UHFFFAOYSA-N 1 0 291.351 2.211 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000884044262 652654330 /nfs/dbraw/zinc/65/43/30/652654330.db2.gz AKDUQBHYIHSLAY-LBPRGKRZSA-N 1 0 265.313 2.167 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000884078696 652697366 /nfs/dbraw/zinc/69/73/66/652697366.db2.gz SVRRCQZHKFOEIN-GWCFXTLKSA-N 1 0 291.351 2.018 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884361030 652812994 /nfs/dbraw/zinc/81/29/94/652812994.db2.gz KPMKHIKOAZSZKU-CHWSQXEVSA-N 1 0 291.351 2.067 20 5 CEBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000884853156 652974900 /nfs/dbraw/zinc/97/49/00/652974900.db2.gz HEXXNQGAPBOAMM-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO CCOc1cc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1[N+](=O)[O-] ZINC001168232482 806427559 /nfs/dbraw/zinc/42/75/59/806427559.db2.gz ZUDWEMCEWIJRJU-MNOVXSKESA-N 1 0 283.303 2.105 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000300135410 806471330 /nfs/dbraw/zinc/47/13/30/806471330.db2.gz RXMJHKRDKBPAHL-NWANDNLSSA-N 1 0 294.351 2.185 20 5 CEBDRO CC/C(C)=C/C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126751520 806514881 /nfs/dbraw/zinc/51/48/81/806514881.db2.gz GLGSTTJCAAIEOB-UXBLZVDNSA-N 1 0 297.380 2.218 20 5 CEBDRO CCOC(=O)C[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224772426 806947895 /nfs/dbraw/zinc/94/78/95/806947895.db2.gz ZYSXBWKADALGGG-OAHLLOKOSA-N 1 0 280.388 2.404 20 5 CEBDRO CC(C)CC(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001266250519 802319453 /nfs/dbraw/zinc/31/94/53/802319453.db2.gz USIWTIVUCNFUOH-UHFFFAOYSA-N 1 0 293.367 2.189 20 5 CEBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1nc2ccccc2c2ccccc21 ZINC001170790007 813362057 /nfs/dbraw/zinc/36/20/57/813362057.db2.gz TWXKNHGKFOTWHU-PXAZEXFGSA-N 1 0 293.370 2.380 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000712556470 814766772 /nfs/dbraw/zinc/76/67/72/814766772.db2.gz KASYBDPRHQAFHK-SNVBAGLBSA-N 1 0 272.308 2.259 20 5 CEBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]C[C@@H]2F)ccc1C(F)(F)F ZINC001218000329 803529038 /nfs/dbraw/zinc/52/90/38/803529038.db2.gz VQYTUQDZAUCBQK-WCBMZHEXSA-N 1 0 294.204 2.302 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694696173 803580168 /nfs/dbraw/zinc/58/01/68/803580168.db2.gz XVGMNHCFDDSEPM-IINYFYTJSA-N 1 0 282.315 2.184 20 5 CEBDRO C[NH2+]CCNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001167724113 803676352 /nfs/dbraw/zinc/67/63/52/803676352.db2.gz HVGMXNMWAQOEQA-QPJJXVBHSA-N 1 0 255.705 2.219 20 5 CEBDRO COc1cccc(OC)c1O[C@@H](C)C[N+](C)(C)C ZINC001225338940 804865877 /nfs/dbraw/zinc/86/58/77/804865877.db2.gz ACILTMGDPKOTCC-NSHDSACASA-N 1 0 254.350 2.177 20 5 CEBDRO C[NH+]1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC000710629830 805029099 /nfs/dbraw/zinc/02/90/99/805029099.db2.gz GFERCZORYJADBP-UHFFFAOYSA-N 1 0 271.704 2.116 20 5 CEBDRO Cc1ccc2c(ccnc2NCC[NH+](C)C)c1[N+](=O)[O-] ZINC001161665947 805521418 /nfs/dbraw/zinc/52/14/18/805521418.db2.gz ABJQBJBDWCSMHL-UHFFFAOYSA-N 1 0 274.324 2.425 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC001122252099 807630057 /nfs/dbraw/zinc/63/00/57/807630057.db2.gz KBPJGQHWTJLDAQ-WDMOLILDSA-N 1 0 293.367 2.391 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000699442809 807706066 /nfs/dbraw/zinc/70/60/66/807706066.db2.gz YZOUYARNGWYDFQ-DGCLKSJQSA-N 1 0 264.325 2.418 20 5 CEBDRO COc1c(F)cc(NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161731240 809100821 /nfs/dbraw/zinc/10/08/21/809100821.db2.gz WMGYMTCBLOSFHJ-UHFFFAOYSA-N 1 0 285.319 2.496 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631645 809335488 /nfs/dbraw/zinc/33/54/88/809335488.db2.gz KRWNZZKHHVQIIY-SNVBAGLBSA-N 1 0 299.758 2.351 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701052381 809383515 /nfs/dbraw/zinc/38/35/15/809383515.db2.gz SLWUJPYFTGKSTG-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000701470387 809434773 /nfs/dbraw/zinc/43/47/73/809434773.db2.gz OBCUCUQVHUONDX-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000703635649 809673757 /nfs/dbraw/zinc/67/37/57/809673757.db2.gz PYHYLCYDGYVKGM-WVSHTKLVSA-N 1 0 284.743 2.451 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000708385708 809928984 /nfs/dbraw/zinc/92/89/84/809928984.db2.gz FVKSPRJTXYOEAY-LBPRGKRZSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCC2)c(F)c1 ZINC000709145570 809942968 /nfs/dbraw/zinc/94/29/68/809942968.db2.gz TWWMFKXOXRJPOQ-UHFFFAOYSA-N 1 0 268.288 2.393 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C(C)C)C(C)(C)C[NH3+] ZINC001163187352 810049859 /nfs/dbraw/zinc/04/98/59/810049859.db2.gz VQTMSGKZLRLKKA-UHFFFAOYSA-N 1 0 266.345 2.250 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167278 815389752 /nfs/dbraw/zinc/38/97/52/815389752.db2.gz STGYACKGGFHCHV-IINYFYTJSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154974361 810863280 /nfs/dbraw/zinc/86/32/80/810863280.db2.gz DGBLLYGEPCIBQN-SFYZADRCSA-N 1 0 285.735 2.028 20 5 CEBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001122488795 815417085 /nfs/dbraw/zinc/41/70/85/815417085.db2.gz BCRZKRRYDKCXAI-XYPYZODXSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC001122511723 815419947 /nfs/dbraw/zinc/41/99/47/815419947.db2.gz ZVDXRIHNMNDKSI-CYBMUJFWSA-N 1 0 289.335 2.231 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712333599 811192241 /nfs/dbraw/zinc/19/22/41/811192241.db2.gz GYOHADFXDLDNMS-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC001122595873 815429793 /nfs/dbraw/zinc/42/97/93/815429793.db2.gz SUADVBWTRKOTLX-JTQLQIEISA-N 1 0 297.380 2.166 20 5 CEBDRO [NH3+][C@@H]1CCc2nn(-c3cc4cc[nH]c4c([N+](=O)[O-])c3)cc2C1 ZINC001168816444 811245006 /nfs/dbraw/zinc/24/50/06/811245006.db2.gz QROOOZPIZXMLHI-LLVKDONJSA-N 1 0 297.318 2.078 20 5 CEBDRO Cc1cnc(-n2cnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001168844547 811275004 /nfs/dbraw/zinc/27/50/04/811275004.db2.gz OXSAGSYVHVXCRK-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC001168976263 811304757 /nfs/dbraw/zinc/30/47/57/811304757.db2.gz CDTLWDDZJMIHNV-XBFCOCLRSA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC001168978200 811307077 /nfs/dbraw/zinc/30/70/77/811307077.db2.gz PSLURXCLIAQEHB-NWANDNLSSA-N 1 0 278.352 2.145 20 5 CEBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979022 811307970 /nfs/dbraw/zinc/30/79/70/811307970.db2.gz WENUWGLZHKUOFM-ZQNQSHIBSA-N 1 0 281.400 2.037 20 5 CEBDRO Cc1ccc(C(=O)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168982924 811309436 /nfs/dbraw/zinc/30/94/36/811309436.db2.gz JFHHWXGKXSEKCV-TZMCWYRMSA-N 1 0 276.336 2.213 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC001168958558 811312037 /nfs/dbraw/zinc/31/20/37/811312037.db2.gz OGAXPXZZMUDASX-GXTWGEPZSA-N 1 0 266.316 2.403 20 5 CEBDRO COC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168962350 811315568 /nfs/dbraw/zinc/31/55/68/811315568.db2.gz LRFMIJVSXBHWGY-JSGCOSHPSA-N 1 0 292.335 2.008 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC001168966357 811318744 /nfs/dbraw/zinc/31/87/44/811318744.db2.gz IGZLAZBXNMXOPV-NWDGAFQWSA-N 1 0 282.315 2.240 20 5 CEBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966285 811319162 /nfs/dbraw/zinc/31/91/62/811319162.db2.gz HMSSQOALLCCGFO-KGLIPLIRSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2Cl)C1 ZINC001168968819 811320233 /nfs/dbraw/zinc/32/02/33/811320233.db2.gz AMAQDPACUJAFTH-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO [NH3+]CCc1cccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168997116 811324564 /nfs/dbraw/zinc/32/45/64/811324564.db2.gz XUMONQVLGZKUEM-JSGCOSHPSA-N 1 0 263.341 2.045 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)C1 ZINC001169001143 811328862 /nfs/dbraw/zinc/32/88/62/811328862.db2.gz CTVGOIGKQNBZJE-WKPIXPDZSA-N 1 0 278.327 2.328 20 5 CEBDRO [NH3+]Cc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001169005906 811330023 /nfs/dbraw/zinc/33/00/23/811330023.db2.gz VSBCSKDURFKDKP-KOLCDFICSA-N 1 0 267.304 2.142 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3nccnc23)C1 ZINC001169005843 811330554 /nfs/dbraw/zinc/33/05/54/811330554.db2.gz UZWLLYGVEXVAFJ-YPMHNXCESA-N 1 0 286.335 2.165 20 5 CEBDRO CC[N@H+](Cc1ccncc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006724 811331917 /nfs/dbraw/zinc/33/19/17/811331917.db2.gz JEUHFJYXYRCGEM-ZIAGYGMSSA-N 1 0 263.341 2.349 20 5 CEBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@H]12 ZINC001169007588 811332300 /nfs/dbraw/zinc/33/23/00/811332300.db2.gz OIBNIIQAQUOFNJ-RFQIPJPRSA-N 1 0 280.368 2.265 20 5 CEBDRO CC[N@H+](Cc1ccncc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006718 811333108 /nfs/dbraw/zinc/33/31/08/811333108.db2.gz JEUHFJYXYRCGEM-KBPBESRZSA-N 1 0 263.341 2.349 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC001169009921 811333574 /nfs/dbraw/zinc/33/35/74/811333574.db2.gz YTGNQFPZINFHCB-UHIISALHSA-N 1 0 276.336 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc3C2)C1 ZINC001168986886 811336033 /nfs/dbraw/zinc/33/60/33/811336033.db2.gz FWOCLKLPPJEXBA-KCPJHIHWSA-N 1 0 290.363 2.285 20 5 CEBDRO CCOC(=O)CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013746 811337003 /nfs/dbraw/zinc/33/70/03/811337003.db2.gz WDYQAKJFKMDZMD-UONOGXRCSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988590 811338240 /nfs/dbraw/zinc/33/82/40/811338240.db2.gz SSAXWKIECYETOQ-NEPJUHHUSA-N 1 0 286.372 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ncoc3c2)C1 ZINC001168989274 811338257 /nfs/dbraw/zinc/33/82/57/811338257.db2.gz VOLUESHWOQEKCZ-NEPJUHHUSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ncoc3c2)C1 ZINC001168989280 811338461 /nfs/dbraw/zinc/33/84/61/811338461.db2.gz VOLUESHWOQEKCZ-VXGBXAGGSA-N 1 0 275.308 2.363 20 5 CEBDRO Cn1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168989825 811339076 /nfs/dbraw/zinc/33/90/76/811339076.db2.gz WVQAZXUTCDHSPG-NEPJUHHUSA-N 1 0 288.351 2.108 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1Cl ZINC001168990497 811339272 /nfs/dbraw/zinc/33/92/72/811339272.db2.gz ZQCJILKLLALCBY-RKDXNWHRSA-N 1 0 282.731 2.095 20 5 CEBDRO CC(C)(F)c1ncncc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989840 811340012 /nfs/dbraw/zinc/34/00/12/811340012.db2.gz WYQOMHDFMNUTLK-ZYHUDNBSSA-N 1 0 296.346 2.216 20 5 CEBDRO CC(C)Oc1ccnc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168990856 811340368 /nfs/dbraw/zinc/34/03/68/811340368.db2.gz FCFLDYUMEFXKLC-QWHCGFSZSA-N 1 0 293.367 2.404 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cnccn2)C1 ZINC001169033606 811343656 /nfs/dbraw/zinc/34/36/56/811343656.db2.gz CIHGHDZNURVEIH-BZPMIXESSA-N 1 0 276.340 2.059 20 5 CEBDRO COc1cccc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035169 811345838 /nfs/dbraw/zinc/34/58/38/811345838.db2.gz BAKIORZPHKVFFU-AAEUAGOBSA-N 1 0 276.336 2.456 20 5 CEBDRO C[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035805 811346655 /nfs/dbraw/zinc/34/66/55/811346655.db2.gz CJVSZTQVVCVOKC-OCCSQVGLSA-N 1 0 276.336 2.247 20 5 CEBDRO C[NH2+]Cc1cccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169040376 811350110 /nfs/dbraw/zinc/35/01/10/811350110.db2.gz ZLYNKNXPCBXQJZ-OCCSQVGLSA-N 1 0 263.341 2.263 20 5 CEBDRO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040369 811350787 /nfs/dbraw/zinc/35/07/87/811350787.db2.gz ZJSZUSSNISEEAL-VXGBXAGGSA-N 1 0 286.372 2.095 20 5 CEBDRO Cc1cc(NC(C)(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001169717069 811640119 /nfs/dbraw/zinc/64/01/19/811640119.db2.gz BCISYUDAVKICHR-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO COc1nc(C)c(NC(C)(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC001169717558 811641728 /nfs/dbraw/zinc/64/17/28/811641728.db2.gz CDUBELDQGQBRDE-UHFFFAOYSA-N 1 0 296.371 2.449 20 5 CEBDRO O=[N+]([O-])c1cc(NCC23CC[NH+](CC2)CC3)cnc1F ZINC001169802743 811666281 /nfs/dbraw/zinc/66/62/81/811666281.db2.gz PJKPDGJCGCMQSV-UHFFFAOYSA-N 1 0 280.303 2.027 20 5 CEBDRO Cc1cnc(N2CCCC[C@@]23CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001157466706 812165551 /nfs/dbraw/zinc/16/55/51/812165551.db2.gz BDRUTFBVHDONEC-HNNXBMFYSA-N 1 0 290.367 2.411 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC001170299593 812376620 /nfs/dbraw/zinc/37/66/20/812376620.db2.gz VDWSGZJFZQERFD-BXUZGUMPSA-N 1 0 296.367 2.141 20 5 CEBDRO CCC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304502 812378977 /nfs/dbraw/zinc/37/89/77/812378977.db2.gz CQXDNVZIRQNVIX-WCQYABFASA-N 1 0 296.367 2.285 20 5 CEBDRO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001172902762 815540911 /nfs/dbraw/zinc/54/09/11/815540911.db2.gz CMGIQTXCMCVHDY-PEYYIBSZSA-N 1 0 290.363 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(CCO3)C1)CC2 ZINC001172915248 815543829 /nfs/dbraw/zinc/54/38/29/815543829.db2.gz MQANNJAINZBVCO-CQSZACIVSA-N 1 0 288.347 2.317 20 5 CEBDRO C[C@@]1(C[NH3+])CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001158675105 812904090 /nfs/dbraw/zinc/90/40/90/812904090.db2.gz HZOREOVRCLVEHC-LBPRGKRZSA-N 1 0 284.747 2.208 20 5 CEBDRO CCC(CC)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123834854 815563825 /nfs/dbraw/zinc/56/38/25/815563825.db2.gz LJCUQUYOYRMRLL-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000754078814 814117564 /nfs/dbraw/zinc/11/75/64/814117564.db2.gz APWDFMFJIKHUKQ-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171334850 814588976 /nfs/dbraw/zinc/58/89/76/814588976.db2.gz KKKRBROYUAUKOI-VIFPVBQESA-N 1 0 275.312 2.025 20 5 CEBDRO COc1cc(OC[C@@H]2CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000697017826 814645410 /nfs/dbraw/zinc/64/54/10/814645410.db2.gz UUEUPUPCYRAKFD-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000698592790 814658235 /nfs/dbraw/zinc/65/82/35/814658235.db2.gz QFIOWIMDYXQMOB-LLVKDONJSA-N 1 0 294.685 2.354 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC001116210149 814840315 /nfs/dbraw/zinc/84/03/15/814840315.db2.gz WXFUOFNAACKKRT-SNVBAGLBSA-N 1 0 267.354 2.331 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000714028028 814882575 /nfs/dbraw/zinc/88/25/75/814882575.db2.gz DEZJMMPIPKOYRE-HNNXBMFYSA-N 1 0 277.368 2.333 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000714730183 814914447 /nfs/dbraw/zinc/91/44/47/814914447.db2.gz MHEIQWARVGDAMI-UMSPYCQHSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnccn1 ZINC001173216440 815623186 /nfs/dbraw/zinc/62/31/86/815623186.db2.gz JJZIRJRHFPKBTH-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001173217191 815623429 /nfs/dbraw/zinc/62/34/29/815623429.db2.gz QKEHJTRUOAKJBK-UXIGCNINSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CSC1 ZINC001173216354 815623447 /nfs/dbraw/zinc/62/34/47/815623447.db2.gz IXKAWAOLMHWTLK-SECBINFHSA-N 1 0 252.339 2.231 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1C ZINC001173217313 815625096 /nfs/dbraw/zinc/62/50/96/815625096.db2.gz STIVJNVUNVYJBF-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001173218560 815625111 /nfs/dbraw/zinc/62/51/11/815625111.db2.gz QKEHJTRUOAKJBK-CORIIIEPSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001173220497 815625887 /nfs/dbraw/zinc/62/58/87/815625887.db2.gz ATXMGPBBDZZKMM-NILFDRSVSA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001173221977 815626093 /nfs/dbraw/zinc/62/60/93/815626093.db2.gz OBRLLYJKOIPWLD-CFVMTHIKSA-N 1 0 290.363 2.494 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001173223930 815628018 /nfs/dbraw/zinc/62/80/18/815628018.db2.gz BTDSXTALMRPDQQ-SWLSCSKDSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001173223929 815628133 /nfs/dbraw/zinc/62/81/33/815628133.db2.gz BTDSXTALMRPDQQ-IUODEOHRSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccncn1 ZINC001173225397 815629260 /nfs/dbraw/zinc/62/92/60/815629260.db2.gz JQXQSMACFWAZBP-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)C[C@@H]1C ZINC001173231282 815632328 /nfs/dbraw/zinc/63/23/28/815632328.db2.gz AUBAGUVOJWQVTP-TYNCELHUSA-N 1 0 278.352 2.371 20 5 CEBDRO Cc1cnc(C[NH3+])n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233460 815632381 /nfs/dbraw/zinc/63/23/81/815632381.db2.gz IVNLEIIGAWBKJS-SNVBAGLBSA-N 1 0 274.324 2.362 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1COC1 ZINC001173232078 815632422 /nfs/dbraw/zinc/63/24/22/815632422.db2.gz CRGBEXUZSKJRJI-LLVKDONJSA-N 1 0 264.325 2.152 20 5 CEBDRO CO[C@H](C)C1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231642 815632427 /nfs/dbraw/zinc/63/24/27/815632427.db2.gz NGOGOUGKDSNMHI-VXGBXAGGSA-N 1 0 278.352 2.493 20 5 CEBDRO CO[C@H](C)C1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231638 815632668 /nfs/dbraw/zinc/63/26/68/815632668.db2.gz NGOGOUGKDSNMHI-NWDGAFQWSA-N 1 0 278.352 2.493 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1CC[NH3+] ZINC001173211202 815634948 /nfs/dbraw/zinc/63/49/48/815634948.db2.gz RBLDMGVFPAERHN-NSHDSACASA-N 1 0 274.324 2.096 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1CC[NH3+] ZINC001173211201 815634989 /nfs/dbraw/zinc/63/49/89/815634989.db2.gz RBLDMGVFPAERHN-LLVKDONJSA-N 1 0 274.324 2.096 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CN2CCC1CC2 ZINC001173212097 815635919 /nfs/dbraw/zinc/63/59/19/815635919.db2.gz WUGQVEADPYHNIF-LRDDRELGSA-N 1 0 289.379 2.210 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnnc1 ZINC001173213916 815636596 /nfs/dbraw/zinc/63/65/96/815636596.db2.gz LYGDUVQPHLAJJX-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058179 282083405 /nfs/dbraw/zinc/08/34/05/282083405.db2.gz GZWRGMOWSHPGCP-NSHDSACASA-N 1 0 294.351 2.315 20 5 CEBDRO CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000124426729 187137001 /nfs/dbraw/zinc/13/70/01/187137001.db2.gz DMTDDYRMXYGKLM-NSHDSACASA-N 1 0 265.313 2.182 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000449103140 282100965 /nfs/dbraw/zinc/10/09/65/282100965.db2.gz OTWPRVJYBMPAMC-OCCSQVGLSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000449103139 282101028 /nfs/dbraw/zinc/10/10/28/282101028.db2.gz OTWPRVJYBMPAMC-JSGCOSHPSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000127748133 187329745 /nfs/dbraw/zinc/32/97/45/187329745.db2.gz PLULANVEMDDUJQ-CQSZACIVSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000032806592 361757136 /nfs/dbraw/zinc/75/71/36/361757136.db2.gz ZBTAINUNUDBSJV-VIFPVBQESA-N 1 0 295.368 2.200 20 5 CEBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294959212 199270408 /nfs/dbraw/zinc/27/04/08/199270408.db2.gz DQNVOAXPRYQPLL-IONNQARKSA-N 1 0 280.296 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335243 346823746 /nfs/dbraw/zinc/82/37/46/346823746.db2.gz RYHQZVZALRYJSQ-BXUZGUMPSA-N 1 0 293.342 2.308 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCCCO ZINC000083392011 178398746 /nfs/dbraw/zinc/39/87/46/178398746.db2.gz SVAIBALDXCAAOR-UHFFFAOYSA-N 1 0 252.314 2.237 20 5 CEBDRO O=[N+]([O-])c1cc(CNCCC[NH+]2CCCC2)cs1 ZINC000037562594 361903188 /nfs/dbraw/zinc/90/31/88/361903188.db2.gz NHFRRUNSIZEZRT-UHFFFAOYSA-N 1 0 269.370 2.232 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563127 361904791 /nfs/dbraw/zinc/90/47/91/361904791.db2.gz YYNZEKNPURKKHL-SECBINFHSA-N 1 0 266.326 2.031 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669541 361921171 /nfs/dbraw/zinc/92/11/71/361921171.db2.gz JENPWEKUQZFXGC-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000125595141 187192320 /nfs/dbraw/zinc/19/23/20/187192320.db2.gz VAEFEDYREJPVIC-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCOCC1 ZINC000080574551 344014909 /nfs/dbraw/zinc/01/49/09/344014909.db2.gz CTYXBJGXKPUTLT-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080684748 344020512 /nfs/dbraw/zinc/02/05/12/344020512.db2.gz CVPVDSCJLWWEGA-UHFFFAOYSA-N 1 0 257.721 2.246 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000126344704 187233528 /nfs/dbraw/zinc/23/35/28/187233528.db2.gz KFIQVCLCXSRMIK-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449431852 282234626 /nfs/dbraw/zinc/23/46/26/282234626.db2.gz ZJBRJZMCDGLMDA-GHMZBOCLSA-N 1 0 270.354 2.249 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449458320 282245128 /nfs/dbraw/zinc/24/51/28/282245128.db2.gz JAGLTEWXLJZUDS-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000008318271 343362362 /nfs/dbraw/zinc/36/23/62/343362362.db2.gz KJNCBVOLDHCUOS-LBPRGKRZSA-N 1 0 289.339 2.043 20 5 CEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000037563246 343428031 /nfs/dbraw/zinc/42/80/31/343428031.db2.gz UZNICMLBDFSHKC-SNVBAGLBSA-N 1 0 295.364 2.061 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000037988775 343432535 /nfs/dbraw/zinc/43/25/35/343432535.db2.gz BECKQJYUSGYWAD-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364557 343470425 /nfs/dbraw/zinc/47/04/25/343470425.db2.gz HTCVGQILMNGMFW-AWEZNQCLSA-N 1 0 277.368 2.415 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000449582446 282292240 /nfs/dbraw/zinc/29/22/40/282292240.db2.gz GGKZALGSQBJICA-GFCCVEGCSA-N 1 0 288.351 2.358 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000064571346 343692065 /nfs/dbraw/zinc/69/20/65/343692065.db2.gz DLMNQOKONCLZCR-CQSZACIVSA-N 1 0 275.352 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c2ccncc21 ZINC000067384115 343735624 /nfs/dbraw/zinc/73/56/24/343735624.db2.gz DIYVYAPWUIDBFS-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068910863 343776960 /nfs/dbraw/zinc/77/69/60/343776960.db2.gz LUIFXDUXALJXOQ-LBPRGKRZSA-N 1 0 297.330 2.257 20 5 CEBDRO CNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075613429 343859337 /nfs/dbraw/zinc/85/93/37/343859337.db2.gz GQLRPUJRVZRPAC-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638484 282314658 /nfs/dbraw/zinc/31/46/58/282314658.db2.gz KVUIJUPCKHRGEG-NEPJUHHUSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332770 343947773 /nfs/dbraw/zinc/94/77/73/343947773.db2.gz IAFSZGJFLVATSZ-NEPJUHHUSA-N 1 0 278.356 2.156 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncccc1[N+](=O)[O-] ZINC000078455465 343953446 /nfs/dbraw/zinc/95/34/46/343953446.db2.gz NUMPRXPBMQTKFS-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078801310 343963828 /nfs/dbraw/zinc/96/38/28/343963828.db2.gz WMWKKHKVEFZNFH-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000049074985 362331910 /nfs/dbraw/zinc/33/19/10/362331910.db2.gz LGBHXZJSACGBSN-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)c1 ZINC000088701157 344113128 /nfs/dbraw/zinc/11/31/28/344113128.db2.gz ZRUMMFBJFRJILP-UHFFFAOYSA-N 1 0 293.367 2.428 20 5 CEBDRO CCc1nn(C)c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000091733650 344171309 /nfs/dbraw/zinc/17/13/09/344171309.db2.gz NOVOTJWIGYKTHQ-MNOVXSKESA-N 1 0 295.387 2.175 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927359 344131179 /nfs/dbraw/zinc/13/11/79/344131179.db2.gz VMGHSXCBCIWFJI-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]([N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602443675 347035363 /nfs/dbraw/zinc/03/53/63/347035363.db2.gz HOUQRTGHKKFSAJ-VIFPVBQESA-N 1 0 254.334 2.195 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])n1 ZINC000602448680 347037351 /nfs/dbraw/zinc/03/73/51/347037351.db2.gz LYTSCGWLAUZYFQ-CYBMUJFWSA-N 1 0 278.356 2.483 20 5 CEBDRO CCc1nn(C)c(NC[C@@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000094135228 344233991 /nfs/dbraw/zinc/23/39/91/344233991.db2.gz MQLACVKHSXBOGG-SNVBAGLBSA-N 1 0 283.376 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)CC1CC1 ZINC000092505876 344192581 /nfs/dbraw/zinc/19/25/81/344192581.db2.gz LLTDXYSEGNRDJR-HWKANZROSA-N 1 0 276.336 2.312 20 5 CEBDRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000113540388 344277401 /nfs/dbraw/zinc/27/74/01/344277401.db2.gz PZASQQVFJKITCK-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602465552 347044198 /nfs/dbraw/zinc/04/41/98/347044198.db2.gz RVLQSNUVVKSRTF-LBPRGKRZSA-N 1 0 264.329 2.093 20 5 CEBDRO CCn1nccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000125304818 344318792 /nfs/dbraw/zinc/31/87/92/344318792.db2.gz FZVKARBSSUXRST-UHFFFAOYSA-N 1 0 260.297 2.101 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129255825 344342750 /nfs/dbraw/zinc/34/27/50/344342750.db2.gz NGFAPWYTAWNNEB-KCJUWKMLSA-N 1 0 297.742 2.200 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134934243 344378882 /nfs/dbraw/zinc/37/88/82/344378882.db2.gz FPGWJQIZNFUSMY-LLVKDONJSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000159334351 344454394 /nfs/dbraw/zinc/45/43/94/344454394.db2.gz SVXTZSBHNKIPJV-ZYHUDNBSSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000159343032 344454537 /nfs/dbraw/zinc/45/45/37/344454537.db2.gz MTSVDXJXTHBTHQ-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO COc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000227858131 344556919 /nfs/dbraw/zinc/55/69/19/344556919.db2.gz LDCHHMMTZAAANW-VIFPVBQESA-N 1 0 295.314 2.391 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052103090 362467390 /nfs/dbraw/zinc/46/73/90/362467390.db2.gz UCRQVLZADSOMSB-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000293127688 344690912 /nfs/dbraw/zinc/69/09/12/344690912.db2.gz MRCXVBDYXQNAEO-ZDUSSCGKSA-N 1 0 264.325 2.189 20 5 CEBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602565080 347079852 /nfs/dbraw/zinc/07/98/52/347079852.db2.gz PFHLPGZLXVGXJR-UHFFFAOYSA-N 1 0 290.367 2.348 20 5 CEBDRO CCC1(CC)[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602573227 347083451 /nfs/dbraw/zinc/08/34/51/347083451.db2.gz ZGBLJITXTUIODD-RYUDHWBXSA-N 1 0 296.371 2.012 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000401188962 344867221 /nfs/dbraw/zinc/86/72/21/344867221.db2.gz PGCNBLPODJQZPG-GHMZBOCLSA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305708 344872203 /nfs/dbraw/zinc/87/22/03/344872203.db2.gz KDHWMTGIGNGTCF-MXWKQRLJSA-N 1 0 250.298 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000449789689 282368641 /nfs/dbraw/zinc/36/86/41/282368641.db2.gz ICKJFGTZQBFUSZ-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000404561566 344881184 /nfs/dbraw/zinc/88/11/84/344881184.db2.gz WENAXUBKELGLRJ-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000127282775 187293982 /nfs/dbraw/zinc/29/39/82/187293982.db2.gz LSBBKOYNUOHCTR-WCQYABFASA-N 1 0 293.367 2.421 20 5 CEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744291 344982640 /nfs/dbraw/zinc/98/26/40/344982640.db2.gz UTUPPIFWPRDIGJ-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000586775283 345020489 /nfs/dbraw/zinc/02/04/89/345020489.db2.gz YRBQUJQJHOOORZ-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000589498126 345084372 /nfs/dbraw/zinc/08/43/72/345084372.db2.gz OCQXMJZCWNUUEY-JTQLQIEISA-N 1 0 278.308 2.366 20 5 CEBDRO C[C@H](CO)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590020761 345110741 /nfs/dbraw/zinc/11/07/41/345110741.db2.gz GCILIKVECFDZHJ-JTQLQIEISA-N 1 0 252.314 2.048 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053184 345111486 /nfs/dbraw/zinc/11/14/86/345111486.db2.gz POJQXGJCRXTDSO-AKQQZBDFSA-N 1 0 288.347 2.168 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000590719075 345167367 /nfs/dbraw/zinc/16/73/67/345167367.db2.gz OCVMBTUGQASNOB-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C2CCC2)CC1 ZINC000590729922 345169786 /nfs/dbraw/zinc/16/97/86/345169786.db2.gz USXCTTQDGXYNPY-UHFFFAOYSA-N 1 0 276.340 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590404172 345133682 /nfs/dbraw/zinc/13/36/82/345133682.db2.gz VVMBGESAOIFYTM-FZMZJTMJSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000590567107 345145783 /nfs/dbraw/zinc/14/57/83/345145783.db2.gz WTQNHAFFTFXIKO-SMDDNHRTSA-N 1 0 291.351 2.068 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000591147464 345224993 /nfs/dbraw/zinc/22/49/93/345224993.db2.gz CODBXWCVKFJCTK-GWCFXTLKSA-N 1 0 296.346 2.295 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCCC[NH2+]1 ZINC000591275625 345236924 /nfs/dbraw/zinc/23/69/24/345236924.db2.gz LGXGRHIAOSHVPB-HZRUHFOJSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCCC[NH2+]2)c1 ZINC000591426905 345250633 /nfs/dbraw/zinc/25/06/33/345250633.db2.gz FIPLKEBYEGEBGB-LBPRGKRZSA-N 1 0 286.335 2.119 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591436508 345253579 /nfs/dbraw/zinc/25/35/79/345253579.db2.gz BDRNUWBOBYGSKE-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437707 345254272 /nfs/dbraw/zinc/25/42/72/345254272.db2.gz JCKOFIDQCKLARH-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO COc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591440672 345255266 /nfs/dbraw/zinc/25/52/66/345255266.db2.gz DWUFYQUFUUYYDQ-HNNXBMFYSA-N 1 0 291.351 2.183 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127383912 187301441 /nfs/dbraw/zinc/30/14/41/187301441.db2.gz ILGMPTUADZRELF-AWEZNQCLSA-N 1 0 279.340 2.088 20 5 CEBDRO Cc1sc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356620 345345108 /nfs/dbraw/zinc/34/51/08/345345108.db2.gz BCCDQCANTVLQOS-ZETCQYMHSA-N 1 0 280.309 2.439 20 5 CEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375779 345347656 /nfs/dbraw/zinc/34/76/56/345347656.db2.gz ZSUKGBFLFLITKS-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592434788 345352551 /nfs/dbraw/zinc/35/25/51/345352551.db2.gz PSKVVZYCHVOWJG-HHAVJRIZSA-N 1 0 293.342 2.240 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471215 345358530 /nfs/dbraw/zinc/35/85/30/345358530.db2.gz LTEIFFZDIQENFZ-UHFFFAOYSA-N 1 0 275.352 2.311 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[C@@H]3CC[NH2+]C3)c2)c1 ZINC000592163769 345333047 /nfs/dbraw/zinc/33/30/47/345333047.db2.gz HYEVQACYUHCNFB-LLVKDONJSA-N 1 0 272.308 2.068 20 5 CEBDRO C[C@@H](CO)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000593084601 345435806 /nfs/dbraw/zinc/43/58/06/345435806.db2.gz SMRVWJCWOODWFU-LBPRGKRZSA-N 1 0 278.352 2.435 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593187201 345450919 /nfs/dbraw/zinc/45/09/19/345450919.db2.gz HBRYUHRXNFKSBJ-TUAOUCFPSA-N 1 0 291.351 2.148 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CCF ZINC000593685097 345520833 /nfs/dbraw/zinc/52/08/33/345520833.db2.gz FFYGJNQTJOSMIK-YLBKJLTLSA-N 1 0 282.315 2.308 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593733298 345529316 /nfs/dbraw/zinc/52/93/16/345529316.db2.gz LENPBAYCYYOGAB-BXUZGUMPSA-N 1 0 293.367 2.250 20 5 CEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339107642 214957502 /nfs/dbraw/zinc/95/75/02/214957502.db2.gz NEWBYGJTOIDXIM-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495748 345638082 /nfs/dbraw/zinc/63/80/82/345638082.db2.gz VERBIAFHJQLVSQ-JSGCOSHPSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H](O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613153 345662191 /nfs/dbraw/zinc/66/21/91/345662191.db2.gz ABMDTWDMIOAGOZ-TXNVCOODSA-N 1 0 276.336 2.453 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000594592749 345653994 /nfs/dbraw/zinc/65/39/94/345653994.db2.gz VOJOUBDLWSHMJK-DTORHVGOSA-N 1 0 284.747 2.395 20 5 CEBDRO Cc1c(C(=O)N2CCCCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000602579974 347086915 /nfs/dbraw/zinc/08/69/15/347086915.db2.gz VNNSCRJTBMRSJJ-GFCCVEGCSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105021 345742790 /nfs/dbraw/zinc/74/27/90/345742790.db2.gz VEEBTLSMVKZBQF-CKYFFXLPSA-N 1 0 250.298 2.077 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926850 345704831 /nfs/dbraw/zinc/70/48/31/345704831.db2.gz WATAIKZQVSVQLX-DUBDDPSESA-N 1 0 292.335 2.443 20 5 CEBDRO COC[C@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000594956171 345715951 /nfs/dbraw/zinc/71/59/51/345715951.db2.gz VKRRXYABJAHLFU-VSKVDJIOSA-N 1 0 294.351 2.249 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594968960 345719515 /nfs/dbraw/zinc/71/95/15/345719515.db2.gz XZMRPGDFKVMDDW-QAJFTPDKSA-N 1 0 296.392 2.374 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000594969925 345719701 /nfs/dbraw/zinc/71/97/01/345719701.db2.gz UEOSPMLSZCIGRH-LLVKDONJSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000594970794 345719853 /nfs/dbraw/zinc/71/98/53/345719853.db2.gz NICCYKCTDYEKEV-LLVKDONJSA-N 1 0 272.251 2.109 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cccn1 ZINC000595014330 345726886 /nfs/dbraw/zinc/72/68/86/345726886.db2.gz OFFHBIBAJGTMNR-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)O ZINC000595021021 345728668 /nfs/dbraw/zinc/72/86/68/345728668.db2.gz WKIDFMYTNSXVON-VIFPVBQESA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1noc(C[NH+]2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000595322120 345761602 /nfs/dbraw/zinc/76/16/02/345761602.db2.gz LTLJTJNOJPTMHL-UHFFFAOYSA-N 1 0 287.319 2.492 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000595776744 345873827 /nfs/dbraw/zinc/87/38/27/345873827.db2.gz CUOLTYYSJLUQRD-KBPBESRZSA-N 1 0 276.336 2.030 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875533 345904145 /nfs/dbraw/zinc/90/41/45/345904145.db2.gz QMKCGDHMHBXILO-FZMZJTMJSA-N 1 0 264.325 2.045 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596086217 345936471 /nfs/dbraw/zinc/93/64/71/345936471.db2.gz WIBJGHRNRCUACC-GHMZBOCLSA-N 1 0 294.355 2.228 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108097 345941342 /nfs/dbraw/zinc/94/13/42/345941342.db2.gz UTFVDONKJWXKGX-NWDGAFQWSA-N 1 0 265.357 2.113 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108100 345941474 /nfs/dbraw/zinc/94/14/74/345941474.db2.gz UTFVDONKJWXKGX-VXGBXAGGSA-N 1 0 265.357 2.113 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596305858 345995022 /nfs/dbraw/zinc/99/50/22/345995022.db2.gz BLWWKFMNHVTHNG-JTQLQIEISA-N 1 0 295.387 2.175 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596269548 345986474 /nfs/dbraw/zinc/98/64/74/345986474.db2.gz SGYDYMOEHWMKFW-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](CC)C[C@H]1C ZINC000596268256 345986528 /nfs/dbraw/zinc/98/65/28/345986528.db2.gz HEKIBZGFDOISLU-LLVKDONJSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596430282 346021246 /nfs/dbraw/zinc/02/12/46/346021246.db2.gz KMOAFJSAGYDMOY-MRVPVSSYSA-N 1 0 272.736 2.395 20 5 CEBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000596455439 346028234 /nfs/dbraw/zinc/02/82/34/346028234.db2.gz ZIXCTLVMNYHUNN-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO COc1ccc(C[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000311057393 201881026 /nfs/dbraw/zinc/88/10/26/201881026.db2.gz YJWJBCRCZGTMIE-UHFFFAOYSA-N 1 0 256.277 2.443 20 5 CEBDRO CC[C@H](N[C@H](C)C[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000596655723 346073549 /nfs/dbraw/zinc/07/35/49/346073549.db2.gz XSOCIKHYEOKCBY-MFKMUULPSA-N 1 0 251.330 2.243 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597047905 346120298 /nfs/dbraw/zinc/12/02/98/346120298.db2.gz RXMWQVVWTWJIRA-TZMCWYRMSA-N 1 0 262.309 2.252 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493267204 290772054 /nfs/dbraw/zinc/77/20/54/290772054.db2.gz OBYFZZVALVNGOR-CMDGGOBGSA-N 1 0 291.351 2.064 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CN(C)C1 ZINC000597207942 346148902 /nfs/dbraw/zinc/14/89/02/346148902.db2.gz XLSLDWUFKOMEQV-NTUHNPAUSA-N 1 0 289.379 2.492 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000597212337 346150254 /nfs/dbraw/zinc/15/02/54/346150254.db2.gz UNWHLEXDIKRFQJ-ZFWWWQNUSA-N 1 0 276.336 2.372 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)F ZINC000295130727 199362276 /nfs/dbraw/zinc/36/22/76/199362276.db2.gz YAPSPAWBPYHJOE-VXGBXAGGSA-N 1 0 288.294 2.397 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945996 346256031 /nfs/dbraw/zinc/25/60/31/346256031.db2.gz MBMRHDWSTLVVGT-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597945007 346256166 /nfs/dbraw/zinc/25/61/66/346256166.db2.gz GIVBUNXFVLENON-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000061375975 362679072 /nfs/dbraw/zinc/67/90/72/362679072.db2.gz PXPIQPNUWQLEKG-CYBMUJFWSA-N 1 0 295.383 2.132 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)[NH2+]1 ZINC000598535863 346371884 /nfs/dbraw/zinc/37/18/84/346371884.db2.gz KDDPDHIOKYSSCZ-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599018533 346447024 /nfs/dbraw/zinc/44/70/24/346447024.db2.gz XVPDOUXMIFXWKA-VDISTLRHSA-N 1 0 264.325 2.418 20 5 CEBDRO O=[N+]([O-])c1cnccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125731 346463966 /nfs/dbraw/zinc/46/39/66/346463966.db2.gz ATSMJHBEOXMRNX-CYBMUJFWSA-N 1 0 290.367 2.231 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599141046 346466468 /nfs/dbraw/zinc/46/64/68/346466468.db2.gz YUVBNNYFMZTWNP-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599166600 346471437 /nfs/dbraw/zinc/47/14/37/346471437.db2.gz YMGBEHSUQDHLRK-CYBMUJFWSA-N 1 0 290.367 2.149 20 5 CEBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000599674274 346561320 /nfs/dbraw/zinc/56/13/20/346561320.db2.gz AFGTZBSPDQVWKG-AAEUAGOBSA-N 1 0 264.329 2.056 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000599623942 346547108 /nfs/dbraw/zinc/54/71/08/346547108.db2.gz INMDSVQNIBYTOL-OHTBPHCPSA-N 1 0 294.351 2.375 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000599625577 346547948 /nfs/dbraw/zinc/54/79/48/346547948.db2.gz NGDPZSWSEDRSQO-ZAZJYDDPSA-N 1 0 294.351 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000599632178 346549875 /nfs/dbraw/zinc/54/98/75/346549875.db2.gz ZOJKAFWKONPUNG-CKNLXJGOSA-N 1 0 294.376 2.080 20 5 CEBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC000600783737 346689990 /nfs/dbraw/zinc/68/99/90/346689990.db2.gz WMGCPPAFZGSFHQ-UHFFFAOYSA-N 1 0 284.315 2.400 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000601171121 346776211 /nfs/dbraw/zinc/77/62/11/346776211.db2.gz ITXRSVMDAGYPSV-BZNIZROVSA-N 1 0 298.346 2.283 20 5 CEBDRO CC[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000601170785 346776428 /nfs/dbraw/zinc/77/64/28/346776428.db2.gz FIZVDHGUFIPTIV-SKDRFNHKSA-N 1 0 275.308 2.136 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601182268 346779858 /nfs/dbraw/zinc/77/98/58/346779858.db2.gz RXYAOFMIDRGBEM-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO CC[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000601103884 346753123 /nfs/dbraw/zinc/75/31/23/346753123.db2.gz KYPUNNOPUWYLHD-NSHDSACASA-N 1 0 282.319 2.415 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616199 347104398 /nfs/dbraw/zinc/10/43/98/347104398.db2.gz ILHSBKRBAGPBHO-NEPJUHHUSA-N 1 0 296.371 2.010 20 5 CEBDRO C[C@@H](CCNc1ccnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000601194233 346782857 /nfs/dbraw/zinc/78/28/57/346782857.db2.gz VRZVNKGIMORULJ-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000601227577 346795829 /nfs/dbraw/zinc/79/58/29/346795829.db2.gz VMWBEERAPVPGJV-GWCFXTLKSA-N 1 0 292.339 2.151 20 5 CEBDRO CO[C@@](C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C1CC1 ZINC000602660080 347128433 /nfs/dbraw/zinc/12/84/33/347128433.db2.gz YDDSWMGEQTYROK-HNNXBMFYSA-N 1 0 293.367 2.175 20 5 CEBDRO CC[C@@H](C)[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798192 347202661 /nfs/dbraw/zinc/20/26/61/347202661.db2.gz AYJTVPUJIVWLHQ-ZJUUUORDSA-N 1 0 254.334 2.124 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602733946 347177927 /nfs/dbraw/zinc/17/79/27/347177927.db2.gz GLWJVFOAGZQBOG-WCABBAIRSA-N 1 0 291.307 2.392 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000602763911 347188507 /nfs/dbraw/zinc/18/85/07/347188507.db2.gz UPSGAJJCSKYMMG-JTQLQIEISA-N 1 0 268.361 2.466 20 5 CEBDRO Cc1occc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602764971 347188688 /nfs/dbraw/zinc/18/86/88/347188688.db2.gz RPYFTCRVDPMUJM-UHFFFAOYSA-N 1 0 278.312 2.133 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000602766796 347189293 /nfs/dbraw/zinc/18/92/93/347189293.db2.gz CDRXJQVPYQGOSE-LLVKDONJSA-N 1 0 268.361 2.466 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000602837526 347219247 /nfs/dbraw/zinc/21/92/47/347219247.db2.gz OLQMTWPZCLPWBD-SNVBAGLBSA-N 1 0 266.345 2.363 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602941050 347252898 /nfs/dbraw/zinc/25/28/98/347252898.db2.gz ZWASYOOOCXSGND-UHFFFAOYSA-N 1 0 274.324 2.301 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000602983126 347265956 /nfs/dbraw/zinc/26/59/56/347265956.db2.gz CCASVEWVIQUPLX-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185819 347303285 /nfs/dbraw/zinc/30/32/85/347303285.db2.gz NZTKMMVXZZHPGD-IINYFYTJSA-N 1 0 289.339 2.451 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220938 347313422 /nfs/dbraw/zinc/31/34/22/347313422.db2.gz XSCNVRISBZTMCQ-HZMBPMFUSA-N 1 0 289.339 2.451 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1(C)C ZINC000603405466 347360864 /nfs/dbraw/zinc/36/08/64/347360864.db2.gz IXBWMPKDXJMXEU-GHMZBOCLSA-N 1 0 282.319 2.270 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000603858323 347392737 /nfs/dbraw/zinc/39/27/37/347392737.db2.gz QPKVJSIHPHASKB-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000604561622 347423768 /nfs/dbraw/zinc/42/37/68/347423768.db2.gz NVGOIEFQMIRBJL-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO C[NH+]1CCC(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129776550 365893698 /nfs/dbraw/zinc/89/36/98/365893698.db2.gz DNXVWDWMMSDOBA-UHFFFAOYSA-N 1 0 284.747 2.397 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000609204402 347630726 /nfs/dbraw/zinc/63/07/26/347630726.db2.gz MXINGRWUTFEDHI-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000609317385 347634118 /nfs/dbraw/zinc/63/41/18/347634118.db2.gz YSMXBHIZAWXUTC-UHFFFAOYSA-N 1 0 296.367 2.314 20 5 CEBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000610430838 347681197 /nfs/dbraw/zinc/68/11/97/347681197.db2.gz HHCVJTXTOICILP-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611336013 347767484 /nfs/dbraw/zinc/76/74/84/347767484.db2.gz MGTPFEBOCWWNJJ-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084697 347738099 /nfs/dbraw/zinc/73/80/99/347738099.db2.gz KTRKZTCRZXCNFJ-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO CC(C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249783 347758344 /nfs/dbraw/zinc/75/83/44/347758344.db2.gz UQZFVLICKCPJLZ-UHFFFAOYSA-N 1 0 266.297 2.206 20 5 CEBDRO Cc1ccc(C[N@H+](CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000611254289 347758974 /nfs/dbraw/zinc/75/89/74/347758974.db2.gz QWFXHJCYSQLJDO-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCCC2)n1 ZINC000611615569 347799269 /nfs/dbraw/zinc/79/92/69/347799269.db2.gz CNNIHOIJVQFERJ-UHFFFAOYSA-N 1 0 264.329 2.114 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000130027059 365917946 /nfs/dbraw/zinc/91/79/46/365917946.db2.gz SUYGIOFWKFJORR-TVQRCGJNSA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612134772 347848171 /nfs/dbraw/zinc/84/81/71/347848171.db2.gz CRALIIMQZZFCIC-WCUVEOEZSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H](F)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872611 219232750 /nfs/dbraw/zinc/23/27/50/219232750.db2.gz FCSYHBWEWLHABR-GHMZBOCLSA-N 1 0 282.319 2.224 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000086874333 179364987 /nfs/dbraw/zinc/36/49/87/179364987.db2.gz BRFIJANBGPNYEN-GFCCVEGCSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614418882 348197694 /nfs/dbraw/zinc/19/76/94/348197694.db2.gz DMHGACPLJPXHJB-BXUZGUMPSA-N 1 0 287.323 2.194 20 5 CEBDRO Cc1nn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770360 299152775 /nfs/dbraw/zinc/15/27/75/299152775.db2.gz UIHCVSVZTRPOEN-GHMZBOCLSA-N 1 0 280.372 2.386 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000295152033 199374785 /nfs/dbraw/zinc/37/47/85/199374785.db2.gz RFSFUCPWLSRYAO-HNNXBMFYSA-N 1 0 294.351 2.462 20 5 CEBDRO CC[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866034 348581106 /nfs/dbraw/zinc/58/11/06/348581106.db2.gz IIWRSCXYUSHHLB-CQSZACIVSA-N 1 0 280.324 2.132 20 5 CEBDRO COc1cc(C[NH2+]CC[C@@H](C)F)c([N+](=O)[O-])cc1O ZINC000339498010 215210953 /nfs/dbraw/zinc/21/09/53/215210953.db2.gz MPFBKAYJPDHHPK-MRVPVSSYSA-N 1 0 272.276 2.147 20 5 CEBDRO Cc1cnc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000090692332 180025648 /nfs/dbraw/zinc/02/56/48/180025648.db2.gz OSLUMKSMCJIXCI-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000091560247 180191291 /nfs/dbraw/zinc/19/12/91/180191291.db2.gz ZHZZJOYTVKCPPB-LLVKDONJSA-N 1 0 295.387 2.033 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000105328143 186052921 /nfs/dbraw/zinc/05/29/21/186052921.db2.gz ZHZOECDUGDPTHZ-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000105489011 186061133 /nfs/dbraw/zinc/06/11/33/186061133.db2.gz CJDREZQIJOYDBW-GFCCVEGCSA-N 1 0 277.368 2.476 20 5 CEBDRO Cc1cc(NCC(C)(C)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000092027049 180308391 /nfs/dbraw/zinc/30/83/91/180308391.db2.gz YGTWLHSWDLUKPT-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106469084 186120267 /nfs/dbraw/zinc/12/02/67/186120267.db2.gz UDDDIXLOIXCZJB-GFCCVEGCSA-N 1 0 295.383 2.423 20 5 CEBDRO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000107040876 186156902 /nfs/dbraw/zinc/15/69/02/186156902.db2.gz KXSYLMCQVQWFMA-ZDUSSCGKSA-N 1 0 296.367 2.455 20 5 CEBDRO CCOCC[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000107679006 186184636 /nfs/dbraw/zinc/18/46/36/186184636.db2.gz VSHSNMOMDZHBMR-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cscn2)c1 ZINC000108941976 186236710 /nfs/dbraw/zinc/23/67/10/186236710.db2.gz WNDDCRPNMGSAOO-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[C@H]([NH3+])C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000110645339 186308800 /nfs/dbraw/zinc/30/88/00/186308800.db2.gz SODKLEBTBGHFGE-VIFPVBQESA-N 1 0 269.370 2.216 20 5 CEBDRO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000271403396 191118082 /nfs/dbraw/zinc/11/80/82/191118082.db2.gz WEXOUWWWNQGAMO-RZRUPYEKSA-N 1 0 276.336 2.311 20 5 CEBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC[NH+]1CCCC1 ZINC000118887839 186787775 /nfs/dbraw/zinc/78/77/75/186787775.db2.gz WWRGJSQSETXSMF-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO CC(C)([NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000070086585 363031875 /nfs/dbraw/zinc/03/18/75/363031875.db2.gz BDEBLQBZKQTIGJ-UHFFFAOYSA-N 1 0 251.286 2.051 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000070169892 363043305 /nfs/dbraw/zinc/04/33/05/363043305.db2.gz DHXULHPQMHMTDP-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070169974 363043618 /nfs/dbraw/zinc/04/36/18/363043618.db2.gz LOGHYGFQYONDPE-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000070172778 363046081 /nfs/dbraw/zinc/04/60/81/363046081.db2.gz XJLLSLOOVXRNMB-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648428 187102753 /nfs/dbraw/zinc/10/27/53/187102753.db2.gz ZUYPXXYTPOBHAI-CQSZACIVSA-N 1 0 265.357 2.400 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000271503879 191179348 /nfs/dbraw/zinc/17/93/48/191179348.db2.gz MMEZVLKNUCHRHQ-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000152632061 188033345 /nfs/dbraw/zinc/03/33/45/188033345.db2.gz GITDJQRVHJZDQJ-TZMCWYRMSA-N 1 0 278.356 2.373 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154134396 188125300 /nfs/dbraw/zinc/12/53/00/188125300.db2.gz VEYZDFSFZGTODM-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292488592 198307267 /nfs/dbraw/zinc/30/72/67/198307267.db2.gz DXISGDGAAIZYBT-VIFPVBQESA-N 1 0 255.293 2.404 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295182339 199391205 /nfs/dbraw/zinc/39/12/05/199391205.db2.gz HSGBPVIAITYRPD-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000132282765 366132222 /nfs/dbraw/zinc/13/22/22/366132222.db2.gz CKLPLSGKYOEPPC-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO CO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451537006 283025081 /nfs/dbraw/zinc/02/50/81/283025081.db2.gz CAJPSGXOBJGHII-DOMZBBRYSA-N 1 0 278.352 2.494 20 5 CEBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074748469 363381845 /nfs/dbraw/zinc/38/18/45/363381845.db2.gz ZFXTVSRSNBCXIZ-GFCCVEGCSA-N 1 0 264.329 2.050 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000074772762 363387903 /nfs/dbraw/zinc/38/79/03/363387903.db2.gz HOWVVNXOGDLOEO-ZDUSSCGKSA-N 1 0 290.367 2.158 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000250672299 540075257 /nfs/dbraw/zinc/07/52/57/540075257.db2.gz YDPJHTQSVWBIAQ-OUCADQQQSA-N 1 0 296.367 2.359 20 5 CEBDRO CN1CCO[C@H](CSCc2csc([N+](=O)[O-])c2)C1 ZINC000573723132 314173531 /nfs/dbraw/zinc/17/35/31/314173531.db2.gz WJWYJBMTJUUUPW-JTQLQIEISA-N 1 0 288.394 2.220 20 5 CEBDRO C[NH+]1CCC(C)(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000272529257 191771324 /nfs/dbraw/zinc/77/13/24/191771324.db2.gz JAOXCRNMXAJEOT-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451957001 283151534 /nfs/dbraw/zinc/15/15/34/283151534.db2.gz TUKKAKAYVIFCSL-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273643501 192244179 /nfs/dbraw/zinc/24/41/79/192244179.db2.gz SPPAAOJVBDJUGS-LLVKDONJSA-N 1 0 293.352 2.161 20 5 CEBDRO COCC[N@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000075676844 363481371 /nfs/dbraw/zinc/48/13/71/363481371.db2.gz KBVSJZAEXYXFLG-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000134489946 366328714 /nfs/dbraw/zinc/32/87/14/366328714.db2.gz JEFSYSHCSGALNK-NSHDSACASA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000134507754 366330870 /nfs/dbraw/zinc/33/08/70/366330870.db2.gz PGSNDHIXMDHBAI-NWDGAFQWSA-N 1 0 291.351 2.162 20 5 CEBDRO CCOc1cccc(NC[C@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000134908082 366370898 /nfs/dbraw/zinc/37/08/98/366370898.db2.gz KPIJMNDBJVUMMX-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294686056 199133935 /nfs/dbraw/zinc/13/39/35/199133935.db2.gz BMQLJDXYZRNKSS-CFNZNRNTSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906832 199242496 /nfs/dbraw/zinc/24/24/96/199242496.db2.gz FHKMBBQNQYPDJX-VXGBXAGGSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1nc(NCC2(C[NH+](C)C)CCCC2)ncc1[N+](=O)[O-] ZINC000294937264 199258816 /nfs/dbraw/zinc/25/88/16/199258816.db2.gz JJLAPWBPQNDJAZ-UHFFFAOYSA-N 1 0 293.371 2.227 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000136163780 366500444 /nfs/dbraw/zinc/50/04/44/366500444.db2.gz IZESVCBLGWLKNQ-QWHCGFSZSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCOC1 ZINC000338955326 366588769 /nfs/dbraw/zinc/58/87/69/366588769.db2.gz MOCWYVVFHUTCNZ-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571305643 299303056 /nfs/dbraw/zinc/30/30/56/299303056.db2.gz RBGNSOHUSJBUSY-OLZOCXBDSA-N 1 0 275.352 2.421 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCn2ccnc21 ZINC000297968120 200311027 /nfs/dbraw/zinc/31/10/27/200311027.db2.gz ZRSLXMNVLLXNBS-GFCCVEGCSA-N 1 0 272.308 2.068 20 5 CEBDRO Cc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000579454359 366648226 /nfs/dbraw/zinc/64/82/26/366648226.db2.gz XNAPTQHFRVJDKK-ZDUSSCGKSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000151701569 366659187 /nfs/dbraw/zinc/65/91/87/366659187.db2.gz LBFIYXQVOMRZCE-DOMZBBRYSA-N 1 0 294.351 2.441 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000177592950 189058910 /nfs/dbraw/zinc/05/89/10/189058910.db2.gz LRRILXQFPCGDJC-TZMCWYRMSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177875932 189076180 /nfs/dbraw/zinc/07/61/80/189076180.db2.gz NBPZDCSCPSBVLU-NWDGAFQWSA-N 1 0 291.351 2.288 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000178599596 189130212 /nfs/dbraw/zinc/13/02/12/189130212.db2.gz DOFPOERUZKYCIR-UHFFFAOYSA-N 1 0 285.369 2.069 20 5 CEBDRO CCOC[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712028 189139357 /nfs/dbraw/zinc/13/93/57/189139357.db2.gz CELZMXYPTIIRHR-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1sc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178840904 189149988 /nfs/dbraw/zinc/14/99/88/189149988.db2.gz VPNPSACWEXZUIA-QMMMGPOBSA-N 1 0 297.380 2.164 20 5 CEBDRO C[C@@H]1CSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863573 189151757 /nfs/dbraw/zinc/15/17/57/189151757.db2.gz ZWPOQVLVUKGDFW-MFKMUULPSA-N 1 0 282.365 2.066 20 5 CEBDRO CC(C)(O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179362687 189189180 /nfs/dbraw/zinc/18/91/80/189189180.db2.gz ZZOALOKMNRFWPK-UHFFFAOYSA-N 1 0 264.325 2.330 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000179579202 189204462 /nfs/dbraw/zinc/20/44/62/189204462.db2.gz KPLCJVMIDMURIY-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000179565368 189202540 /nfs/dbraw/zinc/20/25/40/189202540.db2.gz FZIPHMYLAMFHLU-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000299628310 200811241 /nfs/dbraw/zinc/81/12/41/200811241.db2.gz CAEBYYCYJVTGSH-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CC1(O)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179722809 189216835 /nfs/dbraw/zinc/21/68/35/189216835.db2.gz OQJGTQIKJRHIGK-GQCTYLIASA-N 1 0 276.336 2.455 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000571682860 299323804 /nfs/dbraw/zinc/32/38/04/299323804.db2.gz ZFMLKILKUQPBPT-CQSZACIVSA-N 1 0 293.367 2.176 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000181872700 189309327 /nfs/dbraw/zinc/30/93/27/189309327.db2.gz XYEGNXDNRGCFIM-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182929319 189340241 /nfs/dbraw/zinc/34/02/41/189340241.db2.gz FWEYGLHWFGWBPL-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340204996 366802752 /nfs/dbraw/zinc/80/27/52/366802752.db2.gz RJVXRUCVYLZTKF-OLZOCXBDSA-N 1 0 281.381 2.077 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183288664 189353606 /nfs/dbraw/zinc/35/36/06/189353606.db2.gz VWTMWWJJDDOCEY-NSHDSACASA-N 1 0 280.324 2.144 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C)cc1[N+](=O)[O-] ZINC000020083673 361577718 /nfs/dbraw/zinc/57/77/18/361577718.db2.gz QDYADAAIGVCOFR-LLVKDONJSA-N 1 0 251.330 2.115 20 5 CEBDRO CCc1nn(C)c(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000301910357 201257627 /nfs/dbraw/zinc/25/76/27/201257627.db2.gz BQXPIWAOPHPSMI-UHFFFAOYSA-N 1 0 295.387 2.175 20 5 CEBDRO CC[NH+]1CCN([C@@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000301939846 201270037 /nfs/dbraw/zinc/27/00/37/201270037.db2.gz UCNTZULKIVCWFD-NSHDSACASA-N 1 0 298.412 2.094 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000301951446 201274798 /nfs/dbraw/zinc/27/47/98/201274798.db2.gz HLMOAGSPUIJZHO-SNVBAGLBSA-N 1 0 297.330 2.130 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000086699643 363837649 /nfs/dbraw/zinc/83/76/49/363837649.db2.gz QNMPSBNWDKAXRV-GFCCVEGCSA-N 1 0 282.340 2.364 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795022 364063367 /nfs/dbraw/zinc/06/33/67/364063367.db2.gz FRNOYEBXEYGSFQ-BDAKNGLRSA-N 1 0 295.368 2.199 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000097436349 364500744 /nfs/dbraw/zinc/50/07/44/364500744.db2.gz GZSANWPXATVLNL-WDEREUQCSA-N 1 0 252.314 2.264 20 5 CEBDRO COCC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000101597564 364564948 /nfs/dbraw/zinc/56/49/48/364564948.db2.gz IYOKSIAMJSEVNW-LLVKDONJSA-N 1 0 252.314 2.418 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103453485 364655590 /nfs/dbraw/zinc/65/55/90/364655590.db2.gz MQMMAXBNGMUUAP-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111404589 364735419 /nfs/dbraw/zinc/73/54/19/364735419.db2.gz QFVKZEVATQUMSV-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113552301 364905532 /nfs/dbraw/zinc/90/55/32/364905532.db2.gz XLTXXQPPXABYJT-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO Cn1cc([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000116311957 365049775 /nfs/dbraw/zinc/04/97/75/365049775.db2.gz HPIGOZSOJNBZKA-LLVKDONJSA-N 1 0 292.364 2.379 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC1([NH+](C)C)CCC1 ZINC000275423331 193030866 /nfs/dbraw/zinc/03/08/66/193030866.db2.gz HUJSGFBPIFJLRW-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000356793113 370795879 /nfs/dbraw/zinc/79/58/79/370795879.db2.gz KBLCBLQAVPQFMF-VHSXEESVSA-N 1 0 267.304 2.263 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000159210519 366889450 /nfs/dbraw/zinc/88/94/50/366889450.db2.gz GYIDNWCYJYTERA-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797147 365476740 /nfs/dbraw/zinc/47/67/40/365476740.db2.gz ZJUQJEDSURWMRW-QWHCGFSZSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725135 366950353 /nfs/dbraw/zinc/95/03/53/366950353.db2.gz GFSMIMDMIVRRDX-INIZCTEOSA-N 1 0 289.379 2.479 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000582835636 366964539 /nfs/dbraw/zinc/96/45/39/366964539.db2.gz FAHNYTKRBJXNBP-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340680077 366982247 /nfs/dbraw/zinc/98/22/47/366982247.db2.gz HVBMOHWLRSZCHK-JSGCOSHPSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162034177 367131277 /nfs/dbraw/zinc/13/12/77/367131277.db2.gz LUCKLKYJGBGPGM-LLVKDONJSA-N 1 0 293.323 2.233 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584509482 367165564 /nfs/dbraw/zinc/16/55/64/367165564.db2.gz TZPQHFMSCWANAU-TVYUQYBPSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163248196 367226990 /nfs/dbraw/zinc/22/69/90/367226990.db2.gz GMRXVFCFTLXYLT-PWSUYJOCSA-N 1 0 250.298 2.109 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000163337960 367232420 /nfs/dbraw/zinc/23/24/20/367232420.db2.gz YSUDNPPSUITYJM-UHFFFAOYSA-N 1 0 294.355 2.399 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166136719 367318261 /nfs/dbraw/zinc/31/82/61/367318261.db2.gz RYFADAIQAUEHKS-KOLCDFICSA-N 1 0 295.295 2.018 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000170645779 367390727 /nfs/dbraw/zinc/39/07/27/367390727.db2.gz QNTPTAQVODEJHR-UHFFFAOYSA-N 1 0 294.351 2.411 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174114413 367986467 /nfs/dbraw/zinc/98/64/67/367986467.db2.gz HXAAOUARDUDDOS-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)C(C)C ZINC000176245713 368215232 /nfs/dbraw/zinc/21/52/32/368215232.db2.gz ZOLFVEXGFANGDC-LLVKDONJSA-N 1 0 254.334 2.158 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382290 368298022 /nfs/dbraw/zinc/29/80/22/368298022.db2.gz JIQYPQQBHXEQIU-BXUZGUMPSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343451051 216777163 /nfs/dbraw/zinc/77/71/63/216777163.db2.gz NTUONWMZYJCZRP-RISCZKNCSA-N 1 0 291.351 2.116 20 5 CEBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000346554254 368716119 /nfs/dbraw/zinc/71/61/19/368716119.db2.gz GNQJAQYJAJCBDB-JQWIXIFHSA-N 1 0 298.412 2.482 20 5 CEBDRO CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000347796714 368819593 /nfs/dbraw/zinc/81/95/93/368819593.db2.gz VMCOGHPWVWUSAN-ZIAGYGMSSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348148242 368920645 /nfs/dbraw/zinc/92/06/45/368920645.db2.gz RXUYKDYNYKHAAA-QWHCGFSZSA-N 1 0 294.351 2.378 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000348314727 368997643 /nfs/dbraw/zinc/99/76/43/368997643.db2.gz ZQDUDPJPUIABQT-JTQLQIEISA-N 1 0 290.323 2.188 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000349791215 369401822 /nfs/dbraw/zinc/40/18/22/369401822.db2.gz OSRVRCGUFBFGGN-VUDBWIFFSA-N 1 0 268.288 2.151 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246423000 370959466 /nfs/dbraw/zinc/95/94/66/370959466.db2.gz IIBHILGGTNGULJ-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000189102612 369457829 /nfs/dbraw/zinc/45/78/29/369457829.db2.gz FCXGDUWXKBQOAJ-WDEREUQCSA-N 1 0 252.314 2.416 20 5 CEBDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358206404 370951041 /nfs/dbraw/zinc/95/10/41/370951041.db2.gz SNAOZGIMVTTWSQ-XJKSGUPXSA-N 1 0 291.395 2.457 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000246493028 370969624 /nfs/dbraw/zinc/96/96/24/370969624.db2.gz AVQZCSAVGFGRMV-RYUDHWBXSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914994 203383886 /nfs/dbraw/zinc/38/38/86/203383886.db2.gz TYOFYFLDNVQKIX-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000352376827 369698973 /nfs/dbraw/zinc/69/89/73/369698973.db2.gz APZYHASVTXTTMV-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352525627 369772409 /nfs/dbraw/zinc/77/24/09/369772409.db2.gz HRECOLLNDCCYEQ-INIZCTEOSA-N 1 0 289.379 2.479 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C[N@@H+]1C1CC1 ZINC000192482781 369818972 /nfs/dbraw/zinc/81/89/72/369818972.db2.gz MWLIIMDQDFEZKQ-JGVFFNPUSA-N 1 0 268.342 2.088 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000352814438 369891344 /nfs/dbraw/zinc/89/13/44/369891344.db2.gz GKYQTKCKWOUDNI-MNOVXSKESA-N 1 0 282.365 2.315 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000193208924 369905837 /nfs/dbraw/zinc/90/58/37/369905837.db2.gz UTLHSZDLDDGRIQ-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)C1CC1 ZINC000353098134 370017751 /nfs/dbraw/zinc/01/77/51/370017751.db2.gz UWEGBOOIFIGZJN-LYKUJDHUSA-N 1 0 276.336 2.216 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000353122654 370026518 /nfs/dbraw/zinc/02/65/18/370026518.db2.gz VQINDJJRVKYDFI-WPRPVWTQSA-N 1 0 266.297 2.197 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353163836 370047418 /nfs/dbraw/zinc/04/74/18/370047418.db2.gz CRMPGMMLNJRUGW-ZIAGYGMSSA-N 1 0 298.314 2.018 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353154845 370043556 /nfs/dbraw/zinc/04/35/56/370043556.db2.gz PAWQMGFMASURBD-HUUCEWRRSA-N 1 0 294.351 2.187 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000194631019 370059763 /nfs/dbraw/zinc/05/97/63/370059763.db2.gz MHULVIHAOFBFHT-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354004733 370174375 /nfs/dbraw/zinc/17/43/75/370174375.db2.gz ZMOFLONLYFVHJH-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958843 370274939 /nfs/dbraw/zinc/27/49/39/370274939.db2.gz AYXHLXCULMLOOG-DZGCQCFKSA-N 1 0 296.367 2.423 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCCO ZINC000227114433 370359446 /nfs/dbraw/zinc/35/94/46/370359446.db2.gz KGSOTNURSCSRJC-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000354433210 370360671 /nfs/dbraw/zinc/36/06/71/370360671.db2.gz APLUNQYFHIHEFK-BETUJISGSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1c(C[N@H+](C)CCCCCO)cccc1[N+](=O)[O-] ZINC000227118818 370361437 /nfs/dbraw/zinc/36/14/37/370361437.db2.gz HCBAUEVCDLSZPW-UHFFFAOYSA-N 1 0 266.341 2.498 20 5 CEBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031091 370392692 /nfs/dbraw/zinc/39/26/92/370392692.db2.gz SMDOBAWHUZSKBG-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000226518904 370342184 /nfs/dbraw/zinc/34/21/84/370342184.db2.gz PVGUSKGMMHSEPN-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000226429351 370342379 /nfs/dbraw/zinc/34/23/79/370342379.db2.gz CJTXEUPTUBTNOT-UHFFFAOYSA-N 1 0 258.347 2.194 20 5 CEBDRO Cc1c(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000229604346 370429115 /nfs/dbraw/zinc/42/91/15/370429115.db2.gz YYFGERHUHOWCTI-RISCZKNCSA-N 1 0 277.368 2.333 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000354641621 370447696 /nfs/dbraw/zinc/44/76/96/370447696.db2.gz YDWCPFFHXUHCPO-LBPRGKRZSA-N 1 0 278.356 2.088 20 5 CEBDRO CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230236425 370448210 /nfs/dbraw/zinc/44/82/10/370448210.db2.gz VFKYTMWMHGUDMK-LLVKDONJSA-N 1 0 268.288 2.345 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000230421048 370460514 /nfs/dbraw/zinc/46/05/14/370460514.db2.gz PJFYDAWTKAEYGK-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000231885934 370497249 /nfs/dbraw/zinc/49/72/49/370497249.db2.gz PJJNAMRXGRNXAM-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO Cc1n[nH]cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884440 370497594 /nfs/dbraw/zinc/49/75/94/370497594.db2.gz VXXRBYLPDFELEF-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000234816528 370544267 /nfs/dbraw/zinc/54/42/67/370544267.db2.gz MNWGIXSHEUHHDY-UONOGXRCSA-N 1 0 294.351 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCCSC2)cc1 ZINC000355539340 370593109 /nfs/dbraw/zinc/59/31/09/370593109.db2.gz ATZSUAAUNFJOGM-AWEZNQCLSA-N 1 0 296.392 2.285 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@H]2CCCSC2)c1 ZINC000355512571 370582213 /nfs/dbraw/zinc/58/22/13/370582213.db2.gz KCMPNRIPPLEOKB-AWEZNQCLSA-N 1 0 296.392 2.285 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000236808407 370631636 /nfs/dbraw/zinc/63/16/36/370631636.db2.gz KWMNXFVUFKRXRR-UHFFFAOYSA-N 1 0 285.369 2.212 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246752978 371003936 /nfs/dbraw/zinc/00/39/36/371003936.db2.gz JPXRDQMEHYVTRX-SWLSCSKDSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247304295 371090341 /nfs/dbraw/zinc/09/03/41/371090341.db2.gz LNTRHPBKJVEQBH-DGCLKSJQSA-N 1 0 291.351 2.053 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247531825 371121621 /nfs/dbraw/zinc/12/16/21/371121621.db2.gz ZYDDXHMZOADURY-BXUZGUMPSA-N 1 0 291.351 2.053 20 5 CEBDRO CC[C@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287308407 376203532 /nfs/dbraw/zinc/20/35/32/376203532.db2.gz LCYFPTOBJIIJSU-AWEZNQCLSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248343320 371176788 /nfs/dbraw/zinc/17/67/88/371176788.db2.gz KDAKESSCCVTWTJ-MBNYWOFBSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248649504 371230353 /nfs/dbraw/zinc/23/03/53/371230353.db2.gz ULEHKVWWCMCZOT-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCC[NH2+]1 ZINC000236143473 189832611 /nfs/dbraw/zinc/83/26/11/189832611.db2.gz MKVJNGGTJVPQIU-ZETCQYMHSA-N 1 0 290.245 2.173 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)n1 ZINC000359090722 371333296 /nfs/dbraw/zinc/33/32/96/371333296.db2.gz DQIRWKSZMAWPMK-UHFFFAOYSA-N 1 0 266.345 2.407 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C)n1 ZINC000359102017 371337422 /nfs/dbraw/zinc/33/74/22/371337422.db2.gz GCGAMILQBRXAKW-NSHDSACASA-N 1 0 264.329 2.113 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)n1 ZINC000359105843 371339417 /nfs/dbraw/zinc/33/94/17/371339417.db2.gz WTUXXOMHGDTPNG-UHFFFAOYSA-N 1 0 276.340 2.280 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252674823 371466868 /nfs/dbraw/zinc/46/68/68/371466868.db2.gz UISAAUUKZRZWPY-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO CCc1nn(C)c(NC[C@H](CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000360965480 371567075 /nfs/dbraw/zinc/56/70/75/371567075.db2.gz GJUZEKIWTXMZBW-NSHDSACASA-N 1 0 295.387 2.177 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000261875660 371759530 /nfs/dbraw/zinc/75/95/30/371759530.db2.gz VSSAWRZGEZTJQF-LURJTMIESA-N 1 0 282.325 2.165 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353334223 220030778 /nfs/dbraw/zinc/03/07/78/220030778.db2.gz SXWUOAMQIULTAA-LBPRGKRZSA-N 1 0 281.381 2.325 20 5 CEBDRO C=Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000344084574 217043181 /nfs/dbraw/zinc/04/31/81/217043181.db2.gz BFSAEZAKXHPZKW-UHFFFAOYSA-N 1 0 272.308 2.224 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133538 217067235 /nfs/dbraw/zinc/06/72/35/217067235.db2.gz QDFAAUVYNMPOOA-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344136787 217068430 /nfs/dbraw/zinc/06/84/30/217068430.db2.gz VAQCFQYJYBHPJH-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000268486159 372116126 /nfs/dbraw/zinc/11/61/26/372116126.db2.gz MKWJZNPEKBEMDY-AAEUAGOBSA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908287 372282022 /nfs/dbraw/zinc/28/20/22/372282022.db2.gz HGIURCQFZPRIKJ-RISCZKNCSA-N 1 0 296.392 2.422 20 5 CEBDRO CN(C)C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269081956 372336441 /nfs/dbraw/zinc/33/64/41/372336441.db2.gz FSNFGGXFMIUSNN-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C)CC1 ZINC000269334135 372421887 /nfs/dbraw/zinc/42/18/87/372421887.db2.gz CYEPNGVIEQOSBS-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO CC[C@@H]1CO[C@H](C)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635287 372512693 /nfs/dbraw/zinc/51/26/93/372512693.db2.gz HBFHSDOYXPRQNO-KYOSRNDESA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000269869003 372582997 /nfs/dbraw/zinc/58/29/97/372582997.db2.gz YDSHJYKIQMTJKE-ZYHUDNBSSA-N 1 0 282.315 2.469 20 5 CEBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000353389391 220058062 /nfs/dbraw/zinc/05/80/62/220058062.db2.gz VSWSCRGHSWXHQU-NSHDSACASA-N 1 0 252.314 2.186 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270859376 372985363 /nfs/dbraw/zinc/98/53/63/372985363.db2.gz HXPWGTNZKBRJPC-BXUZGUMPSA-N 1 0 264.325 2.106 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC1 ZINC000344809594 217317272 /nfs/dbraw/zinc/31/72/72/217317272.db2.gz JTTFBGGBTIKYLL-RAXLEYEMSA-N 1 0 275.352 2.293 20 5 CEBDRO Cc1c[nH+]ccc1N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366501840 373073279 /nfs/dbraw/zinc/07/32/79/373073279.db2.gz CKXIEOVXPQFADT-GFCCVEGCSA-N 1 0 287.323 2.336 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[S@@](C)=O ZINC000344849997 217332861 /nfs/dbraw/zinc/33/28/61/217332861.db2.gz HABNPLQMQPCLJF-FNUUXAGOSA-N 1 0 296.392 2.356 20 5 CEBDRO COCCOCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870119 217340898 /nfs/dbraw/zinc/34/08/98/217340898.db2.gz XGHIUXQSDSWKCC-RAXLEYEMSA-N 1 0 294.351 2.251 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000272624909 373588245 /nfs/dbraw/zinc/58/82/45/373588245.db2.gz JLDAOEIKNLKEPY-GWCFXTLKSA-N 1 0 282.315 2.469 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272664049 373606958 /nfs/dbraw/zinc/60/69/58/373606958.db2.gz RXIYMNBIAIEJCE-ABAIWWIYSA-N 1 0 293.342 2.260 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000274333359 373882839 /nfs/dbraw/zinc/88/28/39/373882839.db2.gz GMVSJIRHJJAMKZ-UHFFFAOYSA-N 1 0 251.330 2.371 20 5 CEBDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274812640 374058773 /nfs/dbraw/zinc/05/87/73/374058773.db2.gz RCVIUAPMBMNUPR-JTQLQIEISA-N 1 0 252.314 2.406 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000372780726 374197547 /nfs/dbraw/zinc/19/75/47/374197547.db2.gz LAVUINREOOCYJM-YHWZYXNKSA-N 1 0 289.335 2.079 20 5 CEBDRO O=c1[nH]ccc2c1CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000276876792 374331728 /nfs/dbraw/zinc/33/17/28/374331728.db2.gz DGRGXFVZDOFAAF-UHFFFAOYSA-N 1 0 285.303 2.254 20 5 CEBDRO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567714 321841849 /nfs/dbraw/zinc/84/18/49/321841849.db2.gz OTLJURANKVEYHR-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000277968993 374697257 /nfs/dbraw/zinc/69/72/57/374697257.db2.gz SNXFWQCBLLGYMN-BXUZGUMPSA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000377234809 374818859 /nfs/dbraw/zinc/81/88/59/374818859.db2.gz AWJDQEFLQLQLFG-AWEZNQCLSA-N 1 0 278.352 2.498 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000377278505 374829625 /nfs/dbraw/zinc/82/96/25/374829625.db2.gz QDSLBOPDSWZQIR-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378008653 375001181 /nfs/dbraw/zinc/00/11/81/375001181.db2.gz XUOHNSCTKKOPDD-LBPRGKRZSA-N 1 0 287.323 2.093 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1[N+](=O)[O-] ZINC000380290658 375161380 /nfs/dbraw/zinc/16/13/80/375161380.db2.gz FGCVUAOPATYNOT-BETUJISGSA-N 1 0 275.352 2.339 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770647 375243604 /nfs/dbraw/zinc/24/36/04/375243604.db2.gz ARSGAJVTGQDIKC-OCCSQVGLSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000386246787 375254576 /nfs/dbraw/zinc/25/45/76/375254576.db2.gz IPZPCVZSBHGLSZ-QWHCGFSZSA-N 1 0 264.325 2.188 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000282465643 375490568 /nfs/dbraw/zinc/49/05/68/375490568.db2.gz NIGXAIFEFCMSPP-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851290 375593558 /nfs/dbraw/zinc/59/35/58/375593558.db2.gz UCYJKMHOZWLWLF-WDEREUQCSA-N 1 0 297.330 2.028 20 5 CEBDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096146 375809313 /nfs/dbraw/zinc/80/93/13/375809313.db2.gz MQAKBLVHYLHMDN-ZYHUDNBSSA-N 1 0 281.356 2.235 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000414667557 375910284 /nfs/dbraw/zinc/91/02/84/375910284.db2.gz YBCQOXQERXEYNB-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000286286604 375898831 /nfs/dbraw/zinc/89/88/31/375898831.db2.gz WFQZXEUNUVNSKE-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414660024 375906063 /nfs/dbraw/zinc/90/60/63/375906063.db2.gz NWFWGWBHYBLZBP-GHMZBOCLSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414667004 375908107 /nfs/dbraw/zinc/90/81/07/375908107.db2.gz XGYSTAFVWOTXOT-CMPLNLGQSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414667007 375908191 /nfs/dbraw/zinc/90/81/91/375908191.db2.gz XGYSTAFVWOTXOT-PWSUYJOCSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@H]1CCSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347465 375921187 /nfs/dbraw/zinc/92/11/87/375921187.db2.gz XQWMOKGMMXOVLB-FZMZJTMJSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414693734 375922254 /nfs/dbraw/zinc/92/22/54/375922254.db2.gz FGBRQJFKJFMUJX-ONGXEEELSA-N 1 0 292.339 2.165 20 5 CEBDRO CC[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000419186055 376390562 /nfs/dbraw/zinc/39/05/62/376390562.db2.gz DXDAYLBEDNNSMX-GFCCVEGCSA-N 1 0 252.314 2.452 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305725977 376457455 /nfs/dbraw/zinc/45/74/55/376457455.db2.gz LLODNUHAYJNBIG-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000305744351 376469000 /nfs/dbraw/zinc/46/90/00/376469000.db2.gz UNXSJHBZXZBHDB-QMTHXVAHSA-N 1 0 282.315 2.327 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305803688 376496761 /nfs/dbraw/zinc/49/67/61/376496761.db2.gz FQEBHCSHSJHOQH-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305823941 376507267 /nfs/dbraw/zinc/50/72/67/376507267.db2.gz MCFFPXWVCFMXME-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305823943 376507363 /nfs/dbraw/zinc/50/73/63/376507363.db2.gz MCFFPXWVCFMXME-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000289952280 376574195 /nfs/dbraw/zinc/57/41/95/376574195.db2.gz XUQQIZLQGGJSMC-SNVBAGLBSA-N 1 0 294.355 2.229 20 5 CEBDRO C[NH+](C)CCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000558558717 376618532 /nfs/dbraw/zinc/61/85/32/376618532.db2.gz IAPNGSIABGYPJE-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO CCOC(=O)c1cc(NC[C@@H](C)C[NH2+]C)ccc1[N+](=O)[O-] ZINC000420220466 376625942 /nfs/dbraw/zinc/62/59/42/376625942.db2.gz ZKNSXJUXDANXMS-JTQLQIEISA-N 1 0 295.339 2.039 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000311545034 376674456 /nfs/dbraw/zinc/67/44/56/376674456.db2.gz ZEBXHCXXXNJKSS-STQMWFEESA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290732621 376900781 /nfs/dbraw/zinc/90/07/81/376900781.db2.gz GCNWCOVOOMCKEE-ONGXEEELSA-N 1 0 276.340 2.214 20 5 CEBDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017022 376931296 /nfs/dbraw/zinc/93/12/96/376931296.db2.gz NUJQJKYBSOASLB-GVXVVHGQSA-N 1 0 263.341 2.386 20 5 CEBDRO COc1ccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330577034 377192761 /nfs/dbraw/zinc/19/27/61/377192761.db2.gz GTLZHNPTJLZGNY-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423209818 377126951 /nfs/dbraw/zinc/12/69/51/377126951.db2.gz VVJJCHCQDNRYPV-PWSUYJOCSA-N 1 0 279.340 2.006 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000330439392 377132643 /nfs/dbraw/zinc/13/26/43/377132643.db2.gz ZWZWNKPNELWPOF-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267935 377187669 /nfs/dbraw/zinc/18/76/69/377187669.db2.gz UFJGDFSZPGDNLM-GXFFZTMASA-N 1 0 251.330 2.229 20 5 CEBDRO O=C(CC[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000291931408 377218644 /nfs/dbraw/zinc/21/86/44/377218644.db2.gz SSXVVJMVPORIJT-LBPRGKRZSA-N 1 0 289.335 2.016 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331071495 377269002 /nfs/dbraw/zinc/26/90/02/377269002.db2.gz SNSCGSPGRYUEIX-SNVBAGLBSA-N 1 0 252.318 2.093 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000563686654 377275563 /nfs/dbraw/zinc/27/55/63/377275563.db2.gz DREZQZXFMDQCLS-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO CC(C)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000331150682 377305400 /nfs/dbraw/zinc/30/54/00/377305400.db2.gz OIJNHBVNEWLGHC-CQSZACIVSA-N 1 0 291.351 2.007 20 5 CEBDRO CC[C@H](F)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331281197 377359131 /nfs/dbraw/zinc/35/91/31/377359131.db2.gz FTCRZVRMWVWOQC-JTQLQIEISA-N 1 0 270.308 2.176 20 5 CEBDRO CCn1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000264969887 190148940 /nfs/dbraw/zinc/14/89/40/190148940.db2.gz YPGBLVKJJMOKBT-UHFFFAOYSA-N 1 0 290.323 2.110 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873956 377461758 /nfs/dbraw/zinc/46/17/58/377461758.db2.gz MCGAOYCOIRLPFX-YPMHNXCESA-N 1 0 286.335 2.457 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293341540 377526200 /nfs/dbraw/zinc/52/62/00/377526200.db2.gz YUEXTTNUPPKIJC-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC(O)C1 ZINC000332429128 377599457 /nfs/dbraw/zinc/59/94/57/377599457.db2.gz GPZNRYVPRWMFTI-UHEGKEBESA-N 1 0 250.298 2.111 20 5 CEBDRO Cn1cnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565219382 377613164 /nfs/dbraw/zinc/61/31/64/377613164.db2.gz UHIIDIQJLOFRIU-CQSZACIVSA-N 1 0 286.335 2.148 20 5 CEBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000565306813 377636828 /nfs/dbraw/zinc/63/68/28/377636828.db2.gz DDZCVGBWHMYGNX-STQMWFEESA-N 1 0 296.367 2.360 20 5 CEBDRO CC[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000565707693 377689119 /nfs/dbraw/zinc/68/91/19/377689119.db2.gz ZRPITEOXLHRJMP-GFCCVEGCSA-N 1 0 264.325 2.378 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293674649 377691906 /nfs/dbraw/zinc/69/19/06/377691906.db2.gz JUGHBUYATVAUPR-YUTCNCBUSA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293713732 377717869 /nfs/dbraw/zinc/71/78/69/377717869.db2.gz XXWHPWURHODUEH-QMMMGPOBSA-N 1 0 292.257 2.426 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294366541 377984098 /nfs/dbraw/zinc/98/40/98/377984098.db2.gz QQBAGCNSKJZDHD-ILXRZTDVSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000443519182 378058497 /nfs/dbraw/zinc/05/84/97/378058497.db2.gz NXQKCCQVSKMWSU-NXEZZACHSA-N 1 0 284.385 2.360 20 5 CEBDRO Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296218712 378456897 /nfs/dbraw/zinc/45/68/97/378456897.db2.gz DDOPENWLRVKXDZ-NSHDSACASA-N 1 0 293.371 2.370 20 5 CEBDRO CC[NH+](CC)CCSc1c([N+](=O)[O-])c(C)nn1C ZINC000266108079 190231272 /nfs/dbraw/zinc/23/12/72/190231272.db2.gz JIUCRKUCTQRJAG-UHFFFAOYSA-N 1 0 272.374 2.071 20 5 CEBDRO CCOc1cccc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450782690 378577310 /nfs/dbraw/zinc/57/73/10/378577310.db2.gz YLVMEFDSZRYQOU-WCQYABFASA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602358 378588417 /nfs/dbraw/zinc/58/84/17/378588417.db2.gz VRTHLVWJKIQDII-ZANVPECISA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346630713 217967421 /nfs/dbraw/zinc/96/74/21/217967421.db2.gz CHGQTNILQIXGTO-YTDWTQRBSA-N 1 0 275.352 2.290 20 5 CEBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346801729 218019481 /nfs/dbraw/zinc/01/94/81/218019481.db2.gz CEWXKBWMJIMDKY-SECBINFHSA-N 1 0 288.307 2.250 20 5 CEBDRO CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000347044554 218102441 /nfs/dbraw/zinc/10/24/41/218102441.db2.gz NFQOWXCTCRJRBU-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347197973 218153833 /nfs/dbraw/zinc/15/38/33/218153833.db2.gz IITNFIRUQBMYMI-SMDDNHRTSA-N 1 0 292.335 2.021 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278757374 194142225 /nfs/dbraw/zinc/14/22/25/194142225.db2.gz MKNLSPBCTPVSDF-SECBINFHSA-N 1 0 292.261 2.066 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000266456526 190259026 /nfs/dbraw/zinc/25/90/26/190259026.db2.gz YARXBYJILCDGDD-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1nn(C)c(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000301347126 379262093 /nfs/dbraw/zinc/26/20/93/379262093.db2.gz KVOJJJLHIHIQHE-SNVBAGLBSA-N 1 0 283.376 2.025 20 5 CEBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562321 379393614 /nfs/dbraw/zinc/39/36/14/379393614.db2.gz GEJKZWTXOANWHT-BXUZGUMPSA-N 1 0 275.352 2.266 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000520551734 379483619 /nfs/dbraw/zinc/48/36/19/379483619.db2.gz FEEAWKQKSKYLMA-BETUJISGSA-N 1 0 298.346 2.474 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835724 190283547 /nfs/dbraw/zinc/28/35/47/190283547.db2.gz JXQXCSMRJPTNPC-VXGBXAGGSA-N 1 0 278.356 2.217 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000303976672 379501996 /nfs/dbraw/zinc/50/19/96/379501996.db2.gz CIPKAQMDJMJNDF-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267061438 190300700 /nfs/dbraw/zinc/30/07/00/190300700.db2.gz TUNIIFBCYGREFD-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000457088228 379659257 /nfs/dbraw/zinc/65/92/57/379659257.db2.gz QPWMKWDDMYYUFH-SNVBAGLBSA-N 1 0 297.380 2.211 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000267220535 190313088 /nfs/dbraw/zinc/31/30/88/190313088.db2.gz IYWUBTSTPHCAOL-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO COc1ccc(C[NH2+]C(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000347779799 218354698 /nfs/dbraw/zinc/35/46/98/218354698.db2.gz PRFNASQMDYKOOC-UHFFFAOYSA-N 1 0 296.367 2.490 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000458187248 380036444 /nfs/dbraw/zinc/03/64/44/380036444.db2.gz LJSZOHCGOPDLEI-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481194 380253252 /nfs/dbraw/zinc/25/32/52/380253252.db2.gz WOVUVLPZFHWXDE-CHWSQXEVSA-N 1 0 294.351 2.441 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000555241243 380817471 /nfs/dbraw/zinc/81/74/71/380817471.db2.gz JPDUJBYPYJCCLO-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279304423 194376747 /nfs/dbraw/zinc/37/67/47/194376747.db2.gz QRNFFXISAAFLQY-KYOSRNDESA-N 1 0 294.351 2.113 20 5 CEBDRO CC[NH+](CC)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588962 177826050 /nfs/dbraw/zinc/82/60/50/177826050.db2.gz SVYNROYLMIXWII-UHFFFAOYSA-N 1 0 289.339 2.292 20 5 CEBDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815910 195393277 /nfs/dbraw/zinc/39/32/77/195393277.db2.gz ZIFFGOWAAOCRQM-GXTWGEPZSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283870488 195935017 /nfs/dbraw/zinc/93/50/17/195935017.db2.gz BVKPXIOEWBYKLE-LLVKDONJSA-N 1 0 289.339 2.114 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000190291603 130084968 /nfs/dbraw/zinc/08/49/68/130084968.db2.gz MEVRSEDLNOIYRY-UHFFFAOYSA-N 1 0 251.330 2.373 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000192044846 130358010 /nfs/dbraw/zinc/35/80/10/130358010.db2.gz WGJFORXGDXFFRO-NWDGAFQWSA-N 1 0 293.367 2.017 20 5 CEBDRO CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000237025909 130998628 /nfs/dbraw/zinc/99/86/28/130998628.db2.gz WUTSMRSXBTWMEY-BZPMIXESSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1sc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262587332 131236586 /nfs/dbraw/zinc/23/65/86/131236586.db2.gz PXWHJQIGTXOSLC-UHFFFAOYSA-N 1 0 285.369 2.022 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000412990365 394453094 /nfs/dbraw/zinc/45/30/94/394453094.db2.gz OXOOHSBBJRHLBN-NSHDSACASA-N 1 0 252.318 2.054 20 5 CEBDRO COc1ccc(C[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421366629 394513103 /nfs/dbraw/zinc/51/31/03/394513103.db2.gz CWEHXOJUFXSMPH-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000228849149 394476349 /nfs/dbraw/zinc/47/63/49/394476349.db2.gz ODVRIOAPUAGFEY-ZWKOPEQDSA-N 1 0 264.325 2.405 20 5 CEBDRO Cc1sc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000057308209 394562831 /nfs/dbraw/zinc/56/28/31/394562831.db2.gz KQNGZJMDPNXWPC-VIFPVBQESA-N 1 0 297.380 2.179 20 5 CEBDRO Cc1cnc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000308646347 394529791 /nfs/dbraw/zinc/52/97/91/394529791.db2.gz FBBHJPQQQXBFNO-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CC(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000092011145 394659237 /nfs/dbraw/zinc/65/92/37/394659237.db2.gz HWJYBVROKBPDBB-FNORWQNLSA-N 1 0 291.351 2.051 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(CO)o1 ZINC000266185928 394660744 /nfs/dbraw/zinc/66/07/44/394660744.db2.gz WXMCIPHUSUHYIC-UHFFFAOYSA-N 1 0 276.292 2.012 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H](C)O ZINC000266561556 394667100 /nfs/dbraw/zinc/66/71/00/394667100.db2.gz XTOVIYQZVVQSEC-WDEREUQCSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000331075348 394627926 /nfs/dbraw/zinc/62/79/26/394627926.db2.gz UWBQWKPJSGFJIV-QWRGUYRKSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113552297 394748575 /nfs/dbraw/zinc/74/85/75/394748575.db2.gz XLTXXQPPXABYJT-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422723182 394741057 /nfs/dbraw/zinc/74/10/57/394741057.db2.gz ZUDYRWGAUPTUIK-RISCZKNCSA-N 1 0 293.367 2.224 20 5 CEBDRO CC[C@@H](O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000422115313 394678477 /nfs/dbraw/zinc/67/84/77/394678477.db2.gz BYBDBLKEBHVMNR-SMJHDNPOSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000357008805 394680118 /nfs/dbraw/zinc/68/01/18/394680118.db2.gz UXNGPHLQDGGMFD-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000357008806 394680308 /nfs/dbraw/zinc/68/03/08/394680308.db2.gz UXNGPHLQDGGMFD-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO COCC[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268024654 394688964 /nfs/dbraw/zinc/68/89/64/394688964.db2.gz WUZGNDATDMMWNI-CYBMUJFWSA-N 1 0 293.367 2.142 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414862242 394775687 /nfs/dbraw/zinc/77/56/87/394775687.db2.gz HAXCYHMGQNFMEI-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000273722348 394789080 /nfs/dbraw/zinc/78/90/80/394789080.db2.gz GVQCSZAMNYXWHC-ZIAGYGMSSA-N 1 0 299.334 2.242 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274606308 394799346 /nfs/dbraw/zinc/79/93/46/394799346.db2.gz MXYHDTIOLSWPFU-NXEZZACHSA-N 1 0 298.314 2.257 20 5 CEBDRO COc1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415072086 394875696 /nfs/dbraw/zinc/87/56/96/394875696.db2.gz XPFAATNRJAZTSQ-CYBMUJFWSA-N 1 0 293.367 2.211 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414992408 394840608 /nfs/dbraw/zinc/84/06/08/394840608.db2.gz BROLQXPGGXINDJ-CMPLNLGQSA-N 1 0 281.331 2.341 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422882384 394848118 /nfs/dbraw/zinc/84/81/18/394848118.db2.gz SGCFYPANSUKRAX-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423585468 394954503 /nfs/dbraw/zinc/95/45/03/394954503.db2.gz XAIKJCDSULCBKN-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444430 394923405 /nfs/dbraw/zinc/92/34/05/394923405.db2.gz LUSSDPGVPMHCTD-KWBADKCTSA-N 1 0 251.330 2.371 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000415414074 394928861 /nfs/dbraw/zinc/92/88/61/394928861.db2.gz FGEPSPRBMCIKHS-JTQLQIEISA-N 1 0 280.328 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415504128 394939052 /nfs/dbraw/zinc/93/90/52/394939052.db2.gz OWQKUEQCMDFDIJ-NSHDSACASA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415504773 394939148 /nfs/dbraw/zinc/93/91/48/394939148.db2.gz PLSCAHHKSSYBRF-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415581223 394946023 /nfs/dbraw/zinc/94/60/23/394946023.db2.gz NDEHPJGWVUWIJB-UWVGGRQHSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000285978405 394994821 /nfs/dbraw/zinc/99/48/21/394994821.db2.gz HPHUQWBJUKJFEQ-DNSOKLHBSA-N 1 0 297.380 2.081 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425286883 395056677 /nfs/dbraw/zinc/05/66/77/395056677.db2.gz RFYMOSIDHSWOJA-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000343462194 395039341 /nfs/dbraw/zinc/03/93/41/395039341.db2.gz SYJLBVOLKSXKGB-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174816937 395128333 /nfs/dbraw/zinc/12/83/33/395128333.db2.gz MTVHUDBUWVLNAY-WCQYABFASA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494406223 395111694 /nfs/dbraw/zinc/11/16/94/395111694.db2.gz PJMJIYGXYAKTCQ-CYBMUJFWSA-N 1 0 286.335 2.204 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398814790 395237462 /nfs/dbraw/zinc/23/74/62/395237462.db2.gz QNBZNZWYGSJPCR-QWRGUYRKSA-N 1 0 282.315 2.184 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCOC1)C1CC1 ZINC000182386185 395240245 /nfs/dbraw/zinc/24/02/45/395240245.db2.gz GAKGIGXUEZXISB-UONOGXRCSA-N 1 0 276.336 2.294 20 5 CEBDRO COc1ccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399549337 395246159 /nfs/dbraw/zinc/24/61/59/395246159.db2.gz CMGOPISANHYMAX-TVQRCGJNSA-N 1 0 295.339 2.161 20 5 CEBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292319038 395191627 /nfs/dbraw/zinc/19/16/27/395191627.db2.gz ORFUTKCIUNQZMF-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000519753140 395218870 /nfs/dbraw/zinc/21/88/70/395218870.db2.gz LIWFQKDZBMXYCG-HNNXBMFYSA-N 1 0 275.352 2.483 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000519754952 395220008 /nfs/dbraw/zinc/22/00/08/395220008.db2.gz ZOROSICZKBWQPM-SWLSCSKDSA-N 1 0 298.346 2.331 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)CO ZINC000295197235 395287982 /nfs/dbraw/zinc/28/79/82/395287982.db2.gz KGPIWKCWXMXSMI-UHFFFAOYSA-N 1 0 293.323 2.186 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420281587 395293791 /nfs/dbraw/zinc/29/37/91/395293791.db2.gz MGXYLBYKXKJREZ-WDEREUQCSA-N 1 0 281.360 2.049 20 5 CEBDRO Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000354020760 395313108 /nfs/dbraw/zinc/31/31/08/395313108.db2.gz UJPZJWNYVYCXEM-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000294016198 395263240 /nfs/dbraw/zinc/26/32/40/395263240.db2.gz YQFSYUBAQVERBQ-LBPRGKRZSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946518 395266468 /nfs/dbraw/zinc/26/64/68/395266468.db2.gz JETRNVAUQIRKMW-JOYOIKCWSA-N 1 0 250.298 2.170 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000419391801 395270075 /nfs/dbraw/zinc/27/00/75/395270075.db2.gz RNOHSEOWGINYJE-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420366488 395354098 /nfs/dbraw/zinc/35/40/98/395354098.db2.gz RFFZYQQIDCGPNI-CQSZACIVSA-N 1 0 293.367 2.081 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@](C)(F)C1 ZINC000420336877 395334340 /nfs/dbraw/zinc/33/43/40/395334340.db2.gz QIKBPVVWHMKLAE-RISCZKNCSA-N 1 0 281.331 2.289 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000420361732 395347962 /nfs/dbraw/zinc/34/79/62/395347962.db2.gz IIGSCKVSMSAJDA-SUNKGSAMSA-N 1 0 263.341 2.071 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000567890655 395539527 /nfs/dbraw/zinc/53/95/27/395539527.db2.gz QGNBQJNRVPSZCF-ZWKOPEQDSA-N 1 0 250.298 2.077 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000447046835 395504375 /nfs/dbraw/zinc/50/43/75/395504375.db2.gz IUWPWOBNUPRJSA-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000573681917 395614900 /nfs/dbraw/zinc/61/49/00/395614900.db2.gz CIKLFTWMVMYGBK-UKRRQHHQSA-N 1 0 294.351 2.222 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000449431855 395548185 /nfs/dbraw/zinc/54/81/85/395548185.db2.gz ZJBRJZMCDGLMDA-WDEREUQCSA-N 1 0 270.354 2.249 20 5 CEBDRO Cc1ccccc1CCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000451167694 395587506 /nfs/dbraw/zinc/58/75/06/395587506.db2.gz ITHSLZBIXAOENH-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC(C)[NH2+]CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000575331600 395659606 /nfs/dbraw/zinc/65/96/06/395659606.db2.gz BMBOAWRDBQGCMR-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1OCC[NH+]1CCCCC1 ZINC000195196716 153283712 /nfs/dbraw/zinc/28/37/12/153283712.db2.gz VDGRRCKEPRCFMX-UHFFFAOYSA-N 1 0 280.324 2.468 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC[C@@H]1CCOC1 ZINC000220761809 153307677 /nfs/dbraw/zinc/30/76/77/153307677.db2.gz ZADLEUHWNBASFW-GFCCVEGCSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468863 153319354 /nfs/dbraw/zinc/31/93/54/153319354.db2.gz ATYJMTWGPCOYNE-QWRGUYRKSA-N 1 0 274.267 2.262 20 5 CEBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000227373557 153340774 /nfs/dbraw/zinc/34/07/74/153340774.db2.gz AAGHCJMADUURGA-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000228105432 153358070 /nfs/dbraw/zinc/35/80/70/153358070.db2.gz XXNLGYGBWJJMKD-RKDXNWHRSA-N 1 0 272.732 2.497 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315897 153388157 /nfs/dbraw/zinc/38/81/57/153388157.db2.gz GYPPYWURVIBLIC-WFASDCNBSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316612 153389484 /nfs/dbraw/zinc/38/94/84/153389484.db2.gz BTDIJVXDQGROHS-UONOGXRCSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000230667337 153399710 /nfs/dbraw/zinc/39/97/10/153399710.db2.gz DBBUEVCQWRRIOI-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344183845 154277060 /nfs/dbraw/zinc/27/70/60/154277060.db2.gz UMRNWXFRLGCBRT-NEPJUHHUSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662438 155101129 /nfs/dbraw/zinc/10/11/29/155101129.db2.gz GSAHZJQWWVCYDU-CSPWOOARSA-N 1 0 292.335 2.003 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000367163074 156139962 /nfs/dbraw/zinc/13/99/62/156139962.db2.gz AFMRSFPTMVTMCG-VXGBXAGGSA-N 1 0 276.340 2.216 20 5 CEBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368477764 156350867 /nfs/dbraw/zinc/35/08/67/156350867.db2.gz LRBSXKPIJICVKO-LBPRGKRZSA-N 1 0 296.302 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H](CO)C2)cc1F ZINC000374857152 157020431 /nfs/dbraw/zinc/02/04/31/157020431.db2.gz AFJIKASLPYBCRW-LBPRGKRZSA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418239097 286804349 /nfs/dbraw/zinc/80/43/49/286804349.db2.gz YFRBNWAWZUOMTL-QWRGUYRKSA-N 1 0 294.355 2.082 20 5 CEBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000159787542 162313492 /nfs/dbraw/zinc/31/34/92/162313492.db2.gz CELQFNVAUXQKCM-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000166744373 162354597 /nfs/dbraw/zinc/35/45/97/162354597.db2.gz FYOWUMXQGQXSIT-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170915819 162373973 /nfs/dbraw/zinc/37/39/73/162373973.db2.gz BUXIGLPEWVPZPX-LLVKDONJSA-N 1 0 279.340 2.288 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000174811979 165119504 /nfs/dbraw/zinc/11/95/04/165119504.db2.gz HBCWDINMAVUFKD-OCCSQVGLSA-N 1 0 278.356 2.446 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@@H]1C(F)F ZINC000563135549 298741079 /nfs/dbraw/zinc/74/10/79/298741079.db2.gz MNWIAYYIXFOHHC-HSBHDXMMSA-N 1 0 297.305 2.147 20 5 CEBDRO C[C@H]([NH2+]CCCn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301460 196024737 /nfs/dbraw/zinc/02/47/37/196024737.db2.gz YSSUQHHEWNMWQK-NSHDSACASA-N 1 0 289.339 2.114 20 5 CEBDRO CC(C)[NH+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000010442644 170407254 /nfs/dbraw/zinc/40/72/54/170407254.db2.gz CBKMBBMXQVOJOA-UHFFFAOYSA-N 1 0 293.367 2.443 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000020146883 171033238 /nfs/dbraw/zinc/03/32/38/171033238.db2.gz IOOZJFGFZYYMJG-CQSZACIVSA-N 1 0 294.351 2.270 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000020146880 171033250 /nfs/dbraw/zinc/03/32/50/171033250.db2.gz LZEYCYPHRJCYPP-HNNXBMFYSA-N 1 0 294.351 2.270 20 5 CEBDRO COc1ccc(C[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000022146300 171356667 /nfs/dbraw/zinc/35/66/67/171356667.db2.gz CWILDNUIFQPJSV-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602244 172290981 /nfs/dbraw/zinc/29/09/81/172290981.db2.gz KPGHISIHKSJWQS-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285471924 196294909 /nfs/dbraw/zinc/29/49/09/196294909.db2.gz KOGNKYSBLSVCIA-KOLCDFICSA-N 1 0 270.354 2.419 20 5 CEBDRO C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000038088007 174100562 /nfs/dbraw/zinc/10/05/62/174100562.db2.gz VHHGNAARLDMTHE-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000040623920 174355943 /nfs/dbraw/zinc/35/59/43/174355943.db2.gz QXNUIUACKPTWOE-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747177 174392498 /nfs/dbraw/zinc/39/24/98/174392498.db2.gz KXYAHQMAUKSNEU-PBWFPOADSA-N 1 0 293.342 2.449 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000041123348 174488110 /nfs/dbraw/zinc/48/81/10/174488110.db2.gz QUIPWOOIGMDPGS-SNVBAGLBSA-N 1 0 262.269 2.301 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000044538038 175200102 /nfs/dbraw/zinc/20/01/02/175200102.db2.gz QAEHGWZANGEVII-SNVBAGLBSA-N 1 0 294.311 2.257 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000566858595 299027521 /nfs/dbraw/zinc/02/75/21/299027521.db2.gz RUEHKVRERNTZKD-SMDDNHRTSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000356097326 228119390 /nfs/dbraw/zinc/11/93/90/228119390.db2.gz UKXSUALMPRJYHO-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000216272326 262041819 /nfs/dbraw/zinc/04/18/19/262041819.db2.gz YDJRMVJENVLWCO-KTKRTIGZSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000525748671 262095529 /nfs/dbraw/zinc/09/55/29/262095529.db2.gz WBOISEJBGPLKJS-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425379040 264216965 /nfs/dbraw/zinc/21/69/65/264216965.db2.gz AIMPFMSPLVNDNG-AWEZNQCLSA-N 1 0 264.325 2.452 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425959840 264227560 /nfs/dbraw/zinc/22/75/60/264227560.db2.gz USRJDNQPCPWFMX-MNOVXSKESA-N 1 0 264.329 2.084 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425977199 264248931 /nfs/dbraw/zinc/24/89/31/264248931.db2.gz JSYUFSLAXRQHFF-AAEUAGOBSA-N 1 0 264.325 2.106 20 5 CEBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000190032066 270266678 /nfs/dbraw/zinc/26/66/78/270266678.db2.gz DJWKAPCBPDFPQB-NEPJUHHUSA-N 1 0 298.412 2.445 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000395048161 270344240 /nfs/dbraw/zinc/34/42/40/270344240.db2.gz VQHHIENOIWOPBQ-UHFFFAOYSA-N 1 0 269.732 2.170 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000420248741 270493693 /nfs/dbraw/zinc/49/36/93/270493693.db2.gz WXBUDCVZSAXJHX-LLVKDONJSA-N 1 0 282.319 2.319 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000420361085 270526231 /nfs/dbraw/zinc/52/62/31/270526231.db2.gz HQJWKCOWNBUFHH-ISTVAULSSA-N 1 0 281.331 2.210 20 5 CEBDRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967753 270579996 /nfs/dbraw/zinc/57/99/96/270579996.db2.gz AJLRILOBLUHJKC-RYUDHWBXSA-N 1 0 291.351 2.032 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423386792 270907624 /nfs/dbraw/zinc/90/76/24/270907624.db2.gz RRHUKSXBEKLHPZ-YRGRVCCFSA-N 1 0 277.368 2.256 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588355 271395796 /nfs/dbraw/zinc/39/57/96/271395796.db2.gz DLDLWHZSYUZFDV-CHWSQXEVSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592944 273719429 /nfs/dbraw/zinc/71/94/29/273719429.db2.gz QYNBFJOOHUEPDE-FZMZJTMJSA-N 1 0 264.325 2.333 20 5 CEBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000263980865 273817486 /nfs/dbraw/zinc/81/74/86/273817486.db2.gz BFZCVHTXBGUNHK-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264466177 274724309 /nfs/dbraw/zinc/72/43/09/274724309.db2.gz LUQWYOUPLHNGPI-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130863794 274951267 /nfs/dbraw/zinc/95/12/67/274951267.db2.gz ZRJDPUUTSRVKKB-LLVKDONJSA-N 1 0 297.742 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000413131719 275036649 /nfs/dbraw/zinc/03/66/49/275036649.db2.gz SVKVFBVFFKLGIM-LBPRGKRZSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)nc1 ZINC000301194342 275037111 /nfs/dbraw/zinc/03/71/11/275037111.db2.gz NIFZGZQBBOPJLC-NSHDSACASA-N 1 0 276.340 2.419 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230688527 276015729 /nfs/dbraw/zinc/01/57/29/276015729.db2.gz ZESYWQXYIUKLFR-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293661136 276156765 /nfs/dbraw/zinc/15/67/65/276156765.db2.gz JDUPRWMCUUMBEI-CYBMUJFWSA-N 1 0 264.325 2.294 20 5 CEBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160342 276187325 /nfs/dbraw/zinc/18/73/25/276187325.db2.gz PTBHJBJFRQVCDF-AAEUAGOBSA-N 1 0 292.383 2.312 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226791887 277081554 /nfs/dbraw/zinc/08/15/54/277081554.db2.gz XXYGZUUFAQWAEW-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375033548 277177531 /nfs/dbraw/zinc/17/75/31/277177531.db2.gz WTLIGFYABIAXLN-ZFWWWQNUSA-N 1 0 275.352 2.121 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127684636 277284804 /nfs/dbraw/zinc/28/48/04/277284804.db2.gz FRHRXMQHHHKKOT-LLVKDONJSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000063196049 278317243 /nfs/dbraw/zinc/31/72/43/278317243.db2.gz RNBKJXCZQJFALA-IUODEOHRSA-N 1 0 277.368 2.339 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331101067 278611228 /nfs/dbraw/zinc/61/12/28/278611228.db2.gz DDEKEQPQZKGUMG-MXWKQRLJSA-N 1 0 266.345 2.243 20 5 CEBDRO C[C@H]1CCC[C@](CNc2c([N+](=O)[O-])ncn2C)([NH+](C)C)C1 ZINC000040670001 279693989 /nfs/dbraw/zinc/69/39/89/279693989.db2.gz QCBQOQNPAIODPX-FZMZJTMJSA-N 1 0 295.387 2.251 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000150244107 280079914 /nfs/dbraw/zinc/07/99/14/280079914.db2.gz BVRLJRBFOSDUKR-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000216269115 280208378 /nfs/dbraw/zinc/20/83/78/280208378.db2.gz OTGUGXYYHCEHGO-FWWRYZNZSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)n1 ZINC000359095872 280398846 /nfs/dbraw/zinc/39/88/46/280398846.db2.gz KKLJFUTYOIMMAU-RYUDHWBXSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000268823875 281012960 /nfs/dbraw/zinc/01/29/60/281012960.db2.gz QELAQGCGGZPJSW-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000286243199 281014283 /nfs/dbraw/zinc/01/42/83/281014283.db2.gz FMMVXOVDPQZMLF-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000286243195 281014789 /nfs/dbraw/zinc/01/47/89/281014789.db2.gz FMMVXOVDPQZMLF-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO COC[C@]1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000423438450 281042418 /nfs/dbraw/zinc/04/24/18/281042418.db2.gz UVQIMNQNGMDBLE-SWLSCSKDSA-N 1 0 293.367 2.014 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423621913 281071450 /nfs/dbraw/zinc/07/14/50/281071450.db2.gz LLJNXWQFXPMMDW-NEPJUHHUSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424419974 281158075 /nfs/dbraw/zinc/15/80/75/281158075.db2.gz PLBSNDMNOXPFEP-ZYHUDNBSSA-N 1 0 292.339 2.295 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526951 281832017 /nfs/dbraw/zinc/83/20/17/281832017.db2.gz FJUCRUBEGIRQMM-OBJOEFQTSA-N 1 0 296.371 2.026 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286393655 288709736 /nfs/dbraw/zinc/70/97/36/288709736.db2.gz PDCNFVHEVODWDM-YPMHNXCESA-N 1 0 290.367 2.240 20 5 CEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282635 289044284 /nfs/dbraw/zinc/04/42/84/289044284.db2.gz FCLWGERFRGXYSS-VXGBXAGGSA-N 1 0 276.340 2.053 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000158211313 289229777 /nfs/dbraw/zinc/22/97/77/289229777.db2.gz MGKKZQXNZGJWKY-FZMZJTMJSA-N 1 0 296.392 2.422 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000158211016 289229816 /nfs/dbraw/zinc/22/98/16/289229816.db2.gz MGKKZQXNZGJWKY-SMDDNHRTSA-N 1 0 296.392 2.422 20 5 CEBDRO CON1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000459588725 290188041 /nfs/dbraw/zinc/18/80/41/290188041.db2.gz PJFKVBDQHPUDSD-UHFFFAOYSA-N 1 0 293.367 2.361 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000459805855 290246371 /nfs/dbraw/zinc/24/63/71/290246371.db2.gz QDXMJWAYONQJRW-OLZOCXBDSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319988926 297497155 /nfs/dbraw/zinc/49/71/55/297497155.db2.gz ACZXJPIGLWBYSM-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531104514 298093838 /nfs/dbraw/zinc/09/38/38/298093838.db2.gz QQHFHMDJBRYKBG-UHFFFAOYSA-N 1 0 256.327 2.267 20 5 CEBDRO COCCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532467828 298145114 /nfs/dbraw/zinc/14/51/14/298145114.db2.gz KGLLVRRXCUSDCH-GFCCVEGCSA-N 1 0 282.340 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N(C)C ZINC000540166791 298263404 /nfs/dbraw/zinc/26/34/04/298263404.db2.gz DUOSKEUBUCUWEQ-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO C[C@H](C(=O)NCC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555762434 298533604 /nfs/dbraw/zinc/53/36/04/298533604.db2.gz MORVHHDKEHAKMU-NSHDSACASA-N 1 0 293.367 2.203 20 5 CEBDRO Cc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000560390345 298646258 /nfs/dbraw/zinc/64/62/58/298646258.db2.gz LBAWVRBLQZJKFO-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564869358 298857408 /nfs/dbraw/zinc/85/74/08/298857408.db2.gz VBKSBASQFQKSDJ-OCCSQVGLSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](NC2C[NH2+]C2)c2ccccc2)c1 ZINC000566731986 299017626 /nfs/dbraw/zinc/01/76/26/299017626.db2.gz OPDNMHOAFRXNII-MRXNPFEDSA-N 1 0 283.331 2.246 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000417842953 301783971 /nfs/dbraw/zinc/78/39/71/301783971.db2.gz GQADLRLILHNWPM-MNOVXSKESA-N 1 0 294.355 2.001 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000514855570 313058375 /nfs/dbraw/zinc/05/83/75/313058375.db2.gz PRQRYKHIMVGHBJ-ABAIWWIYSA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1(O)CCC1 ZINC000565606841 313829636 /nfs/dbraw/zinc/82/96/36/313829636.db2.gz DTDQTIFGIMRFGN-ZDUSSCGKSA-N 1 0 276.336 2.477 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000576574802 314288730 /nfs/dbraw/zinc/28/87/30/314288730.db2.gz NBQZBYROEGEVIS-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C1CCC1 ZINC000576886377 314320371 /nfs/dbraw/zinc/32/03/71/314320371.db2.gz KIUCKSMYSYETIQ-HIFRSBDPSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)O ZINC000577389105 314371847 /nfs/dbraw/zinc/37/18/47/314371847.db2.gz VUNMTCRLGOIBND-ICCXJUOJSA-N 1 0 264.325 2.331 20 5 CEBDRO Cc1ccc(NCCC[NH2+][C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000578232242 314459638 /nfs/dbraw/zinc/45/96/38/314459638.db2.gz MUOILUNNNQAGRR-NEPJUHHUSA-N 1 0 281.356 2.064 20 5 CEBDRO CC1CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000580640597 322331605 /nfs/dbraw/zinc/33/16/05/322331605.db2.gz CALRASFCCMZAJE-UHFFFAOYSA-N 1 0 277.324 2.312 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000581022035 322363358 /nfs/dbraw/zinc/36/33/58/322363358.db2.gz JESATXLGAFOQST-AWEZNQCLSA-N 1 0 286.335 2.459 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)C ZINC000558256375 327083213 /nfs/dbraw/zinc/08/32/13/327083213.db2.gz IDRWUMWOTSXFFB-NSHDSACASA-N 1 0 251.330 2.115 20 5 CEBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051703 521819483 /nfs/dbraw/zinc/81/94/83/521819483.db2.gz XZRDDKDRWVWSOP-VHSXEESVSA-N 1 0 279.340 2.218 20 5 CEBDRO C[C@H](O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354804605 534055046 /nfs/dbraw/zinc/05/50/46/534055046.db2.gz HHZTUSCMQYWJEP-NSHDSACASA-N 1 0 264.325 2.114 20 5 CEBDRO COc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000405217552 534090236 /nfs/dbraw/zinc/09/02/36/534090236.db2.gz OLGXCJKACRVHKL-GXSJLCMTSA-N 1 0 293.323 2.059 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000183676591 518956330 /nfs/dbraw/zinc/95/63/30/518956330.db2.gz HNTLWOMKPPOIQD-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000339399182 519370976 /nfs/dbraw/zinc/37/09/76/519370976.db2.gz YIXRLCBKLXOOBQ-VIFPVBQESA-N 1 0 291.311 2.273 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453804 519758712 /nfs/dbraw/zinc/75/87/12/519758712.db2.gz JFNNJBZMIKEGOW-SWLSCSKDSA-N 1 0 296.367 2.279 20 5 CEBDRO COC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183436105 522737089 /nfs/dbraw/zinc/73/70/89/522737089.db2.gz OUPIOIHNTUEEEB-HNNXBMFYSA-N 1 0 294.351 2.378 20 5 CEBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076464 524849926 /nfs/dbraw/zinc/84/99/26/524849926.db2.gz YBRRDPBXTCNHMN-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000070169992 524902347 /nfs/dbraw/zinc/90/23/47/524902347.db2.gz DWLDCKAUNHTGAL-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO CSC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000368036688 525310818 /nfs/dbraw/zinc/31/08/18/525310818.db2.gz JOXIMRHSIFTWLK-UHFFFAOYSA-N 1 0 296.396 2.324 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000052812790 525577062 /nfs/dbraw/zinc/57/70/62/525577062.db2.gz JXZQHWGYHXHNRC-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C(C)C)n1 ZINC000162620900 526060680 /nfs/dbraw/zinc/06/06/80/526060680.db2.gz FUEPRTOXMWMNLT-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000054602144 527145628 /nfs/dbraw/zinc/14/56/28/527145628.db2.gz LGGKBSRSOFCJQH-LQDVMPOASA-N 1 0 275.352 2.439 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC23CCCC3)n1 ZINC000364841542 527407135 /nfs/dbraw/zinc/40/71/35/527407135.db2.gz SOXRNCURSPSIOL-UHFFFAOYSA-N 1 0 264.329 2.200 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000417962576 527742722 /nfs/dbraw/zinc/74/27/22/527742722.db2.gz ZUFCWLNLRJNTIM-LBPRGKRZSA-N 1 0 264.325 2.294 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])c(CC)nn1C ZINC000357799934 527999905 /nfs/dbraw/zinc/99/99/05/527999905.db2.gz ICVORLCZMIPMCF-NSHDSACASA-N 1 0 297.403 2.423 20 5 CEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000152851864 528139541 /nfs/dbraw/zinc/13/95/41/528139541.db2.gz RGUOZFOWAJXPLZ-UHFFFAOYSA-N 1 0 281.356 2.495 20 5 CEBDRO CC(C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174883169 528595819 /nfs/dbraw/zinc/59/58/19/528595819.db2.gz YTIKDXNUBNYAOO-GFCCVEGCSA-N 1 0 266.345 2.159 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733166503 574647069 /nfs/dbraw/zinc/64/70/69/574647069.db2.gz QXBBWZSIDYBHBF-CYBMUJFWSA-N 1 0 297.330 2.050 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742424729 575021240 /nfs/dbraw/zinc/02/12/40/575021240.db2.gz CKVRGQNROYQDRC-LLVKDONJSA-N 1 0 289.339 2.139 20 5 CEBDRO [NH3+]C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049964285 623276332 /nfs/dbraw/zinc/27/63/32/623276332.db2.gz YKDZUADJYISAQN-UHFFFAOYSA-N 1 0 269.732 2.171 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000845728940 623283383 /nfs/dbraw/zinc/28/33/83/623283383.db2.gz LFCOWBFKEZBZDH-NSHDSACASA-N 1 0 286.372 2.238 20 5 CEBDRO CC(C)([NH3+])CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000050196467 623348124 /nfs/dbraw/zinc/34/81/24/623348124.db2.gz CLPHQEOKJASWSF-UHFFFAOYSA-N 1 0 276.296 2.315 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373616 623401412 /nfs/dbraw/zinc/40/14/12/623401412.db2.gz UQOZTHIXOFJGKO-OCCSQVGLSA-N 1 0 280.324 2.261 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000121337870 623576485 /nfs/dbraw/zinc/57/64/85/623576485.db2.gz NKCZOBIJEABFIA-ZDUSSCGKSA-N 1 0 264.325 2.418 20 5 CEBDRO CCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891577343 623799394 /nfs/dbraw/zinc/79/93/94/623799394.db2.gz CHQJIWWCEZLYOC-UHFFFAOYSA-N 1 0 254.286 2.151 20 5 CEBDRO C[C@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891846847 624019225 /nfs/dbraw/zinc/01/92/25/624019225.db2.gz PDEPHKDMOJQSOD-LBPRGKRZSA-N 1 0 295.387 2.252 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000934112666 624233699 /nfs/dbraw/zinc/23/36/99/624233699.db2.gz VCDKTRVRKCUZCF-STQMWFEESA-N 1 0 250.298 2.204 20 5 CEBDRO Cc1c(C[NH2+]C[C@](C)(O)C2CC2)cccc1[N+](=O)[O-] ZINC000311983888 627964389 /nfs/dbraw/zinc/96/43/89/627964389.db2.gz REDLHVKWCPAJAN-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO [NH3+]C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000902404916 634639795 /nfs/dbraw/zinc/63/97/95/634639795.db2.gz HAOXBURKYCQARC-CYBMUJFWSA-N 1 0 261.325 2.053 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000931046610 628345301 /nfs/dbraw/zinc/34/53/01/628345301.db2.gz JSJYEBYWRHSZKB-KOLCDFICSA-N 1 0 269.370 2.181 20 5 CEBDRO C[NH+](C)C1(CNc2ccc3nonc3c2[N+](=O)[O-])CCC1 ZINC000893379741 628543577 /nfs/dbraw/zinc/54/35/77/628543577.db2.gz LVVDLETWKMOJAQ-UHFFFAOYSA-N 1 0 291.311 2.027 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000236814193 628840539 /nfs/dbraw/zinc/84/05/39/628840539.db2.gz YZKWAMIPPPBZGX-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261655045 628962232 /nfs/dbraw/zinc/96/22/32/628962232.db2.gz DRKUZYGDRCDHKD-CQSZACIVSA-N 1 0 295.770 2.434 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261655041 628962311 /nfs/dbraw/zinc/96/23/11/628962311.db2.gz DRKUZYGDRCDHKD-AWEZNQCLSA-N 1 0 295.770 2.434 20 5 CEBDRO C[C@H](NC[C@H]1CCCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000902482448 634699763 /nfs/dbraw/zinc/69/97/63/634699763.db2.gz LFVURQYTPAMUBR-WCQYABFASA-N 1 0 292.383 2.360 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940340 629055821 /nfs/dbraw/zinc/05/58/21/629055821.db2.gz MWNJFIXSTWEBOB-YGRLFVJLSA-N 1 0 279.315 2.183 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893941581 629056463 /nfs/dbraw/zinc/05/64/63/629056463.db2.gz UZPQLUIHDODVNU-PELKAZGASA-N 1 0 283.278 2.013 20 5 CEBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])o1 ZINC000894449624 629464248 /nfs/dbraw/zinc/46/42/48/629464248.db2.gz WBDFZRDWHZMMCB-UHFFFAOYSA-N 1 0 291.307 2.162 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000795210785 629479405 /nfs/dbraw/zinc/47/94/05/629479405.db2.gz YIZXAXBAGUKIGS-SECBINFHSA-N 1 0 293.327 2.273 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000894475319 629483553 /nfs/dbraw/zinc/48/35/53/629483553.db2.gz CAPADUQTWWOMJS-JTQLQIEISA-N 1 0 294.355 2.283 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894591196 629543782 /nfs/dbraw/zinc/54/37/82/629543782.db2.gz KXNKIIOJFKRXOB-UHFFFAOYSA-N 1 0 298.339 2.166 20 5 CEBDRO CCOCC(C)(C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894616281 629560873 /nfs/dbraw/zinc/56/08/73/629560873.db2.gz QVPOLLFQDDGMNK-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928457055 629722123 /nfs/dbraw/zinc/72/21/23/629722123.db2.gz OUIDKAUUKQPXBN-KWQFWETISA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894956893 629767323 /nfs/dbraw/zinc/76/73/23/629767323.db2.gz XVOHJGPPVBPVHM-KLPPZKSPSA-N 1 0 270.716 2.251 20 5 CEBDRO COC(=O)/C(C)=C\C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796112906 629773728 /nfs/dbraw/zinc/77/37/28/629773728.db2.gz JYOAYBNDSWRTRM-WQLSENKSSA-N 1 0 292.335 2.188 20 5 CEBDRO CCC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000895059270 629832836 /nfs/dbraw/zinc/83/28/36/629832836.db2.gz RRNPKVZMUFEFCA-SNVBAGLBSA-N 1 0 289.339 2.049 20 5 CEBDRO C[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895102543 629899499 /nfs/dbraw/zinc/89/94/99/629899499.db2.gz XJRUAQZLSKJMGX-LBPRGKRZSA-N 1 0 278.356 2.156 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C(C)(C)C ZINC000895102080 629899845 /nfs/dbraw/zinc/89/98/45/629899845.db2.gz TUJXBUCJFMYDOY-LBPRGKRZSA-N 1 0 278.356 2.156 20 5 CEBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000895122050 629924790 /nfs/dbraw/zinc/92/47/90/629924790.db2.gz JUWXQUUNZPYUSF-VIFPVBQESA-N 1 0 284.287 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C)CC2)c1C ZINC000895521357 630227598 /nfs/dbraw/zinc/22/75/98/630227598.db2.gz ILEMQDOKRDUHRL-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@H]1[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000895736870 630326488 /nfs/dbraw/zinc/32/64/88/630326488.db2.gz LZDXKHSYPDHLSI-MFKMUULPSA-N 1 0 286.335 2.069 20 5 CEBDRO COCC1C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895976279 630419322 /nfs/dbraw/zinc/41/93/22/630419322.db2.gz NGRRMTCFSMXJLE-UHFFFAOYSA-N 1 0 264.325 2.290 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC000896651855 630625588 /nfs/dbraw/zinc/62/55/88/630625588.db2.gz YZVZMKRDCCRZAN-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO C[NH+](C)CC1(Nc2nc3ccccn3c2[N+](=O)[O-])CCC1 ZINC000798406400 630865909 /nfs/dbraw/zinc/86/59/09/630865909.db2.gz FEBUMGYJZZSWKP-UHFFFAOYSA-N 1 0 289.339 2.139 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200591 630997635 /nfs/dbraw/zinc/99/76/35/630997635.db2.gz LTRVFOLVUMAMFU-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155309 631124069 /nfs/dbraw/zinc/12/40/69/631124069.db2.gz VBPKLMGFOFXFKT-JYAVWHMHSA-N 1 0 278.352 2.398 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000800848235 631149131 /nfs/dbraw/zinc/14/91/31/631149131.db2.gz WITMDGPCAWVVOZ-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017272 631225984 /nfs/dbraw/zinc/22/59/84/631225984.db2.gz YAZVFJRXDNHTAE-IUCAKERBSA-N 1 0 256.277 2.155 20 5 CEBDRO Cc1cnc(N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000897419343 631338199 /nfs/dbraw/zinc/33/81/99/631338199.db2.gz GTHNFQMPKRNWED-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503925 631696514 /nfs/dbraw/zinc/69/65/14/631696514.db2.gz JUAABWHZOJSDTL-VHSXEESVSA-N 1 0 294.311 2.398 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000925315471 631834907 /nfs/dbraw/zinc/83/49/07/631834907.db2.gz YDIBDHDZDLVBHX-JTQLQIEISA-N 1 0 252.314 2.091 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897679837 631863720 /nfs/dbraw/zinc/86/37/20/631863720.db2.gz CUPQLVHPRUGKAN-QZIOEJFTSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1[N+](=O)[O-] ZINC000897822566 631931831 /nfs/dbraw/zinc/93/18/31/631931831.db2.gz CRHGVCCKEXWXTC-MIBAYGRRSA-N 1 0 274.320 2.169 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898206437 632086563 /nfs/dbraw/zinc/08/65/63/632086563.db2.gz PGGLTGQZBDMJRJ-AWEZNQCLSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898195856 632110476 /nfs/dbraw/zinc/11/04/76/632110476.db2.gz ZOHXCRQFWKHYCV-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000898223419 632125609 /nfs/dbraw/zinc/12/56/09/632125609.db2.gz VFWMJCSWXPPMJJ-MLCFOIATSA-N 1 0 276.340 2.439 20 5 CEBDRO Cc1ncsc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735002 632134312 /nfs/dbraw/zinc/13/43/12/632134312.db2.gz POTHRNALFDVJAG-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000898379647 632186712 /nfs/dbraw/zinc/18/67/12/632186712.db2.gz HJVOUXIWHMFOLO-HUUCEWRRSA-N 1 0 276.336 2.152 20 5 CEBDRO CCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000989833124 632248195 /nfs/dbraw/zinc/24/81/95/632248195.db2.gz SFMJANDOXMUASH-UHFFFAOYSA-N 1 0 297.380 2.147 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084001 632450585 /nfs/dbraw/zinc/45/05/85/632450585.db2.gz JTSNQKFVAJBMJF-OLZOCXBDSA-N 1 0 294.351 2.359 20 5 CEBDRO COCC1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815607829 633037638 /nfs/dbraw/zinc/03/76/38/633037638.db2.gz JPGNISOUHPKNSE-SECBINFHSA-N 1 0 265.313 2.007 20 5 CEBDRO CC1CC[NH+]([C@H](CNCC[N+](=O)[O-])c2cccs2)CC1 ZINC000899861130 633056271 /nfs/dbraw/zinc/05/62/71/633056271.db2.gz WIIWOVAYZQAQOI-CYBMUJFWSA-N 1 0 297.424 2.387 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000899870702 633064262 /nfs/dbraw/zinc/06/42/62/633064262.db2.gz NYYRAFSKIGDYQA-AWEZNQCLSA-N 1 0 297.786 2.343 20 5 CEBDRO CCCC[C@H](COC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087445 634064098 /nfs/dbraw/zinc/06/40/98/634064098.db2.gz HYJZEIZPYMPEJF-HIFRSBDPSA-N 1 0 296.367 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC(F)(F)F)c1 ZINC000819123706 634074289 /nfs/dbraw/zinc/07/42/89/634074289.db2.gz ACALFLUUQUEKFD-JTQLQIEISA-N 1 0 278.230 2.170 20 5 CEBDRO CC1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819128741 634076914 /nfs/dbraw/zinc/07/69/14/634076914.db2.gz RIRKIJQHINKGLA-QEIKUCIBSA-N 1 0 250.298 2.016 20 5 CEBDRO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819297882 634130899 /nfs/dbraw/zinc/13/08/99/634130899.db2.gz IQOXMBWCZCFZIX-VXGBXAGGSA-N 1 0 282.365 2.112 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310055 634135072 /nfs/dbraw/zinc/13/50/72/634135072.db2.gz YEXJHXFWULSQEK-STQMWFEESA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC(F)(F)C2)c1 ZINC000819326438 634141080 /nfs/dbraw/zinc/14/10/80/634141080.db2.gz OJFZZYNOJVHEKO-LBPRGKRZSA-N 1 0 286.278 2.263 20 5 CEBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819360819 634154215 /nfs/dbraw/zinc/15/42/15/634154215.db2.gz MSYJQTGCNMGTIB-VHDGCEQUSA-N 1 0 294.351 2.174 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819368973 634158803 /nfs/dbraw/zinc/15/88/03/634158803.db2.gz JITXZOPHTXFDBO-NEPJUHHUSA-N 1 0 250.298 2.016 20 5 CEBDRO COc1cc([C@@H](C)NCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903055414 634948534 /nfs/dbraw/zinc/94/85/34/634948534.db2.gz FJEOPMYUTKTKFO-LLVKDONJSA-N 1 0 281.356 2.206 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000822642516 634961725 /nfs/dbraw/zinc/96/17/25/634961725.db2.gz CTTCPGIRBMZIHI-CYBMUJFWSA-N 1 0 299.415 2.060 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903090788 634964376 /nfs/dbraw/zinc/96/43/76/634964376.db2.gz HIVDTCKRAKZGRH-QWRGUYRKSA-N 1 0 281.356 2.204 20 5 CEBDRO CCC[NH+]1CCC(N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822697966 634976239 /nfs/dbraw/zinc/97/62/39/634976239.db2.gz WXNPWTMVNCNNER-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000903130745 634984618 /nfs/dbraw/zinc/98/46/18/634984618.db2.gz OJPLBXRSCATDDX-UONOGXRCSA-N 1 0 264.325 2.294 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc([N+](=O)[O-])c1 ZINC000903184779 635002441 /nfs/dbraw/zinc/00/24/41/635002441.db2.gz YZZBGPYNMSDPRK-JRPNMDOOSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc([N+](=O)[O-])c1 ZINC000903200452 635009789 /nfs/dbraw/zinc/00/97/89/635009789.db2.gz SEBLVYCYOUESNC-QWRGUYRKSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1c(Cc2noc(CC[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822862533 635014152 /nfs/dbraw/zinc/01/41/52/635014152.db2.gz JXMLUVBSQDEMOR-SECBINFHSA-N 1 0 290.323 2.157 20 5 CEBDRO CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903260693 635033133 /nfs/dbraw/zinc/03/31/33/635033133.db2.gz MJMVTULBAYIJRQ-OVGLSYRBSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392978 635089186 /nfs/dbraw/zinc/08/91/86/635089186.db2.gz CMJVVUVBAYVVHH-ATZCPNFKSA-N 1 0 268.288 2.419 20 5 CEBDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393991 635089991 /nfs/dbraw/zinc/08/99/91/635089991.db2.gz WWKZRTSVQSASDP-SMDDNHRTSA-N 1 0 291.351 2.256 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000903411735 635105174 /nfs/dbraw/zinc/10/51/74/635105174.db2.gz QTWSRDIFBAJPDW-IINYFYTJSA-N 1 0 294.351 2.415 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823324254 635137979 /nfs/dbraw/zinc/13/79/79/635137979.db2.gz GEMUHHMPBBKXEU-ZDUSSCGKSA-N 1 0 299.415 2.203 20 5 CEBDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000823709019 635260257 /nfs/dbraw/zinc/26/02/57/635260257.db2.gz GWONHKAVXYQVDI-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[C@@]32C[NH3+])cccc1[N+](=O)[O-] ZINC000903856201 635307989 /nfs/dbraw/zinc/30/79/89/635307989.db2.gz QWMRIBMUAHHUHB-UKRRQHHQSA-N 1 0 275.352 2.216 20 5 CEBDRO Cc1cnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000824080706 635342311 /nfs/dbraw/zinc/34/23/11/635342311.db2.gz JKVQUMSMFNJSBE-LBPRGKRZSA-N 1 0 293.348 2.183 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000904420158 635631615 /nfs/dbraw/zinc/63/16/15/635631615.db2.gz DVGZVVGWWWILHC-CMPLNLGQSA-N 1 0 295.770 2.290 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000904932763 635766990 /nfs/dbraw/zinc/76/69/90/635766990.db2.gz YFQLZKVCEAHIFT-HNNXBMFYSA-N 1 0 291.351 2.310 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000905095668 635830139 /nfs/dbraw/zinc/83/01/39/635830139.db2.gz JOWPFZDJKPASJC-UHFFFAOYSA-N 1 0 298.770 2.255 20 5 CEBDRO CC[C@@H](C[NH2+]CC[N+](=O)[O-])Oc1ccccc1C ZINC000905154403 635831607 /nfs/dbraw/zinc/83/16/07/635831607.db2.gz KPOKPCXRCVLBTA-LBPRGKRZSA-N 1 0 252.314 2.019 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000905159518 635834446 /nfs/dbraw/zinc/83/44/46/635834446.db2.gz MDIVXOUCOBWWPH-BDAKNGLRSA-N 1 0 254.252 2.221 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C/C=C\c1ccc(Br)cc1 ZINC000905273489 636201943 /nfs/dbraw/zinc/20/19/43/636201943.db2.gz PQLRELIWDBVSIT-UPHRSURJSA-N 1 0 285.141 2.329 20 5 CEBDRO C[C@@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000828348508 636577379 /nfs/dbraw/zinc/57/73/79/636577379.db2.gz ITCXBQFNLQSENJ-ZDUSSCGKSA-N 1 0 299.415 2.203 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876504532 650293628 /nfs/dbraw/zinc/29/36/28/650293628.db2.gz PLSMTFUBAOYNBV-GFCCVEGCSA-N 1 0 299.330 2.182 20 5 CEBDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000876545845 650316161 /nfs/dbraw/zinc/31/61/61/650316161.db2.gz VWIQNOIEXPRNOL-AOOOYVTPSA-N 1 0 263.297 2.051 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876617861 650361787 /nfs/dbraw/zinc/36/17/87/650361787.db2.gz WNGAEAOTGNEHAF-LLVKDONJSA-N 1 0 294.351 2.453 20 5 CEBDRO CSCC[C@H]([NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000911906902 638474260 /nfs/dbraw/zinc/47/42/60/638474260.db2.gz NNBVWICAEHYBPJ-JTQLQIEISA-N 1 0 297.380 2.312 20 5 CEBDRO CCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876888328 650474890 /nfs/dbraw/zinc/47/48/90/650474890.db2.gz PQCXHSQCIZYXOG-UHFFFAOYSA-N 1 0 252.318 2.275 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1[NH3+] ZINC000876915662 650484474 /nfs/dbraw/zinc/48/44/74/650484474.db2.gz XISCGTUBZPUFBX-MEBBXXQBSA-N 1 0 299.330 2.167 20 5 CEBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000044558657 639341097 /nfs/dbraw/zinc/34/10/97/639341097.db2.gz FOWCSHDRJGFFPK-UHFFFAOYSA-N 1 0 260.297 2.386 20 5 CEBDRO CCCNC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045072536 639386976 /nfs/dbraw/zinc/38/69/76/639386976.db2.gz JDEZDHCFFFIFFS-UHFFFAOYSA-N 1 0 299.758 2.254 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224191747 639443178 /nfs/dbraw/zinc/44/31/78/639443178.db2.gz YNNGFHQQZZYOEF-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO CC(C)[C@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841028835 639621631 /nfs/dbraw/zinc/62/16/31/639621631.db2.gz IJWASPUEKSZXBX-GFCCVEGCSA-N 1 0 271.748 2.321 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841030908 639622237 /nfs/dbraw/zinc/62/22/37/639622237.db2.gz OUWKLYLQSWQKOE-ZANVPECISA-N 1 0 283.759 2.465 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043605 639630884 /nfs/dbraw/zinc/63/08/84/639630884.db2.gz UKSFSFQAJPFOCX-LLVKDONJSA-N 1 0 269.732 2.090 20 5 CEBDRO [NH3+][C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000841048863 639632004 /nfs/dbraw/zinc/63/20/04/639632004.db2.gz FXHRFSRGHJYDMO-GFCCVEGCSA-N 1 0 269.732 2.075 20 5 CEBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(F)F ZINC000841074160 639644479 /nfs/dbraw/zinc/64/44/79/639644479.db2.gz MNWRHNFELFKADK-VIFPVBQESA-N 1 0 293.701 2.320 20 5 CEBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841102829 639676351 /nfs/dbraw/zinc/67/63/51/639676351.db2.gz KHNFTASVEMVABQ-SNVBAGLBSA-N 1 0 298.730 2.107 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351135 639748240 /nfs/dbraw/zinc/74/82/40/639748240.db2.gz OWTOGPPBYZZUGY-CYBMUJFWSA-N 1 0 252.314 2.360 20 5 CEBDRO C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000172495249 639768768 /nfs/dbraw/zinc/76/87/68/639768768.db2.gz QBSQEDFPMYOOMM-LLVKDONJSA-N 1 0 290.323 2.013 20 5 CEBDRO Cc1c(CNC(=O)CCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000231856430 639881000 /nfs/dbraw/zinc/88/10/00/639881000.db2.gz DCJDXEKRCHOWAH-UHFFFAOYSA-N 1 0 279.340 2.039 20 5 CEBDRO CC1(C)C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877027327 650537197 /nfs/dbraw/zinc/53/71/97/650537197.db2.gz NJBQRESHDHLUEA-KPPDAEKUSA-N 1 0 264.329 2.131 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877046644 650546290 /nfs/dbraw/zinc/54/62/90/650546290.db2.gz NWDWIZZAMHUPIO-ZYHUDNBSSA-N 1 0 291.351 2.082 20 5 CEBDRO CNc1ccc(-c2nc([C@@H](C)C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000842575755 640105307 /nfs/dbraw/zinc/10/53/07/640105307.db2.gz DOVOKENVKBUHCR-QMMMGPOBSA-N 1 0 291.311 2.009 20 5 CEBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843100516 640280613 /nfs/dbraw/zinc/28/06/13/640280613.db2.gz WAJPTOSICMMXIG-KYOSRNDESA-N 1 0 296.367 2.015 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CC([NH3+])C1 ZINC000843125475 640292002 /nfs/dbraw/zinc/29/20/02/640292002.db2.gz XGXVWEVYBILOHN-UHFFFAOYSA-N 1 0 269.732 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000843125837 640292523 /nfs/dbraw/zinc/29/25/23/640292523.db2.gz ANMVHTJURBQHKR-QMTHXVAHSA-N 1 0 295.770 2.432 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000843147627 640305349 /nfs/dbraw/zinc/30/53/49/640305349.db2.gz CTJDHHZETUFRAC-GFCCVEGCSA-N 1 0 292.295 2.213 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1cc(F)ccc1[N+](=O)[O-] ZINC000843355736 640401502 /nfs/dbraw/zinc/40/15/02/640401502.db2.gz IPWSRQFNEDSKNW-CYBMUJFWSA-N 1 0 269.320 2.197 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000844916435 640864523 /nfs/dbraw/zinc/86/45/23/640864523.db2.gz KTZDHXGIOJCTLQ-JGVFFNPUSA-N 1 0 294.336 2.376 20 5 CEBDRO [NH3+]CCCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000237963997 641408549 /nfs/dbraw/zinc/40/85/49/641408549.db2.gz YFAPUMZRGGPFTP-UHFFFAOYSA-N 1 0 251.286 2.052 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074734 641629326 /nfs/dbraw/zinc/62/93/26/641629326.db2.gz MQQGDODHILGNGH-QWRGUYRKSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000849330804 642333629 /nfs/dbraw/zinc/33/36/29/642333629.db2.gz CORXINHXMSCOSU-BYCMXARLSA-N 1 0 294.351 2.175 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000850358567 642680917 /nfs/dbraw/zinc/68/09/17/642680917.db2.gz SBHZVNANEUMKKL-SNVBAGLBSA-N 1 0 264.281 2.117 20 5 CEBDRO CON(C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000850477218 642724776 /nfs/dbraw/zinc/72/47/76/642724776.db2.gz FLSRSMUGGHIGHP-CQSZACIVSA-N 1 0 293.367 2.400 20 5 CEBDRO O=C1CC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000851816585 643179438 /nfs/dbraw/zinc/17/94/38/643179438.db2.gz KOUQVJSCCQNUDT-CQSZACIVSA-N 1 0 290.319 2.265 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000922725370 643225155 /nfs/dbraw/zinc/22/51/55/643225155.db2.gz YGVRBIRBUXQMRP-GUTXKFCHSA-N 1 0 274.320 2.276 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cs1 ZINC000922722729 643229570 /nfs/dbraw/zinc/22/95/70/643229570.db2.gz VMBKLLWSSXPQRH-TUAOUCFPSA-N 1 0 280.349 2.337 20 5 CEBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877630617 650823520 /nfs/dbraw/zinc/82/35/20/650823520.db2.gz HIRZELWOXQACAX-XIVSLSHWSA-N 1 0 264.329 2.273 20 5 CEBDRO CC1(C)CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877639682 650829600 /nfs/dbraw/zinc/82/96/00/650829600.db2.gz OSOPNQDJWVSJRA-UHFFFAOYSA-N 1 0 264.329 2.273 20 5 CEBDRO Cc1c(Cc2noc([C@H]3C[C@H]([NH3+])C3)n2)cccc1[N+](=O)[O-] ZINC000854142499 643997703 /nfs/dbraw/zinc/99/77/03/643997703.db2.gz PGUVFXGNCKYSJH-XYPYZODXSA-N 1 0 288.307 2.082 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877741237 650884570 /nfs/dbraw/zinc/88/45/70/650884570.db2.gz ACWQKXYWGYKCLR-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740944 650884952 /nfs/dbraw/zinc/88/49/52/650884952.db2.gz LIJYJDSKYQRYAQ-ZBFHGGJFSA-N 1 0 289.379 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000839196028 644188949 /nfs/dbraw/zinc/18/89/49/644188949.db2.gz LHBJANRMHWBCJA-UNQGMJICSA-N 1 0 276.336 2.406 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000754572946 644393603 /nfs/dbraw/zinc/39/36/03/644393603.db2.gz ZXAAVXBJTWTFDH-WHOFXGATSA-N 1 0 294.351 2.033 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000755056727 644464990 /nfs/dbraw/zinc/46/49/90/644464990.db2.gz UOSYXCICMJOHKD-ZDUSSCGKSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cccc([N+](=O)[O-])c1C ZINC000755711302 644549331 /nfs/dbraw/zinc/54/93/31/644549331.db2.gz BBVLFKDWYCDTBE-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)c1 ZINC000755722579 644551885 /nfs/dbraw/zinc/55/18/85/644551885.db2.gz RYOSOPLSAFIJMP-UHFFFAOYSA-N 1 0 298.364 2.425 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000858583624 645211332 /nfs/dbraw/zinc/21/13/32/645211332.db2.gz FBDYEQXKXZDFEE-LSJOCFKGSA-N 1 0 265.313 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC2)cc1Cl ZINC000761524323 645293782 /nfs/dbraw/zinc/29/37/82/645293782.db2.gz BEDMQMBWMIZWLW-UHFFFAOYSA-N 1 0 270.716 2.110 20 5 CEBDRO COC(=O)CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000859208476 645419585 /nfs/dbraw/zinc/41/95/85/645419585.db2.gz OHUXKGDAOFOAQV-UHFFFAOYSA-N 1 0 292.335 2.296 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859616152 645539120 /nfs/dbraw/zinc/53/91/20/645539120.db2.gz NZQJTSYEIUYMEE-OIBJUYFYSA-N 1 0 298.730 2.120 20 5 CEBDRO Cc1noc(C[NH2+]C2(C3CC3)CCC2)c1[N+](=O)[O-] ZINC000887148668 645545356 /nfs/dbraw/zinc/54/53/56/645545356.db2.gz OSCCHYIJOGPEHM-UHFFFAOYSA-N 1 0 251.286 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1Cl ZINC000763540931 645555975 /nfs/dbraw/zinc/55/59/75/645555975.db2.gz MJBYCYRLSVMEHI-MRVPVSSYSA-N 1 0 294.685 2.354 20 5 CEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848946 645816201 /nfs/dbraw/zinc/81/62/01/645816201.db2.gz LQEFNMOKBYVOJT-BXUZGUMPSA-N 1 0 296.367 2.421 20 5 CEBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000862464598 646468564 /nfs/dbraw/zinc/46/85/64/646468564.db2.gz CMKBMYKDWLSATA-CYBMUJFWSA-N 1 0 290.319 2.255 20 5 CEBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000862487527 646478186 /nfs/dbraw/zinc/47/81/86/646478186.db2.gz SBBUEXJUJGQDFD-CYBMUJFWSA-N 1 0 290.319 2.336 20 5 CEBDRO C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000863484825 646740457 /nfs/dbraw/zinc/74/04/57/646740457.db2.gz NLZCYNIUNRNXSC-JOYOIKCWSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1ncccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578521 646761398 /nfs/dbraw/zinc/76/13/98/646761398.db2.gz MHZSMSOQNZXEGR-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000863922922 646851314 /nfs/dbraw/zinc/85/13/14/646851314.db2.gz GGZDDNTXHFZONW-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000776580326 647073870 /nfs/dbraw/zinc/07/38/70/647073870.db2.gz UMKVVHZSUGRJLJ-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865692108 647426275 /nfs/dbraw/zinc/42/62/75/647426275.db2.gz BHKOAIODZQTTJQ-XSXPHNMFSA-N 1 0 274.320 2.108 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000865903116 647530110 /nfs/dbraw/zinc/53/01/10/647530110.db2.gz CWXKXCBGZMBSCC-MNOVXSKESA-N 1 0 279.315 2.122 20 5 CEBDRO Cc1nn(CN2CC[C@@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818946 647545931 /nfs/dbraw/zinc/54/59/31/647545931.db2.gz YFQHQSQQCLMKMM-CYBMUJFWSA-N 1 0 296.371 2.113 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000866207035 647670799 /nfs/dbraw/zinc/67/07/99/647670799.db2.gz UTBFYHBRPWGDMM-AAEUAGOBSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000866343233 647746934 /nfs/dbraw/zinc/74/69/34/647746934.db2.gz KQBZOVDTCVXRMF-IIMNLJJBSA-N 1 0 296.342 2.414 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345047 647747637 /nfs/dbraw/zinc/74/76/37/647747637.db2.gz FRPPKCYHGZFQQL-UWVGGRQHSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H](C)O ZINC000866349853 647750502 /nfs/dbraw/zinc/75/05/02/647750502.db2.gz PTCDFSKSXCYXPY-MNOVXSKESA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(CO)CC1 ZINC000866388161 647768421 /nfs/dbraw/zinc/76/84/21/647768421.db2.gz CKJATOJWEAUBTP-MNOVXSKESA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000866416723 647779632 /nfs/dbraw/zinc/77/96/32/647779632.db2.gz ZLQGVKCYEHWNHR-OUJBWJOFSA-N 1 0 282.315 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000866416721 647780082 /nfs/dbraw/zinc/78/00/82/647780082.db2.gz ZLQGVKCYEHWNHR-BREBYQMCSA-N 1 0 282.315 2.025 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866716476 647880147 /nfs/dbraw/zinc/88/01/47/647880147.db2.gz OVBFNQQHWNCAFJ-FZMZJTMJSA-N 1 0 293.342 2.308 20 5 CEBDRO Cc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000867995815 648015586 /nfs/dbraw/zinc/01/55/86/648015586.db2.gz JMHDFSBIXSJJTI-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO CSc1cccc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000792151783 648615464 /nfs/dbraw/zinc/61/54/64/648615464.db2.gz OZEQDKYORNRYFO-UHFFFAOYSA-N 1 0 298.364 2.425 20 5 CEBDRO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871150929 649012628 /nfs/dbraw/zinc/01/26/28/649012628.db2.gz VPARIGHFDGWJJY-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+](C)C1(C)CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000871362380 649072281 /nfs/dbraw/zinc/07/22/81/649072281.db2.gz UPZJBIBTKOBFSH-UHFFFAOYSA-N 1 0 299.415 2.201 20 5 CEBDRO COCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016110 649241904 /nfs/dbraw/zinc/24/19/04/649241904.db2.gz FAUCQMVQDWHCMJ-SECBINFHSA-N 1 0 256.277 2.421 20 5 CEBDRO C[C@H]([NH2+]CCCn1cncn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057335 649257530 /nfs/dbraw/zinc/25/75/30/649257530.db2.gz XTUPSLGIVBSMGT-JTQLQIEISA-N 1 0 293.302 2.066 20 5 CEBDRO C[C@@H](C[NH+](C)C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070565 649262377 /nfs/dbraw/zinc/26/23/77/649262377.db2.gz GMYCSVOYDMMXHM-UWVGGRQHSA-N 1 0 269.320 2.335 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781765 649488865 /nfs/dbraw/zinc/48/88/65/649488865.db2.gz YLPALYGCRVVTNM-RYUDHWBXSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CCO ZINC000873056461 649545893 /nfs/dbraw/zinc/54/58/93/649545893.db2.gz FLKNYUYFJAWXMV-SNVBAGLBSA-N 1 0 252.314 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)CC1 ZINC000873068681 649550067 /nfs/dbraw/zinc/55/00/67/649550067.db2.gz XLYVKFILANHYCU-UHFFFAOYSA-N 1 0 264.325 2.074 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151525 649571262 /nfs/dbraw/zinc/57/12/62/649571262.db2.gz XPFNCALTFFAGOA-GZMMTYOYSA-N 1 0 292.257 2.305 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000878951424 651216949 /nfs/dbraw/zinc/21/69/49/651216949.db2.gz JHIYOQKUPDYCNF-WCQYABFASA-N 1 0 264.325 2.248 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322455 651285375 /nfs/dbraw/zinc/28/53/75/651285375.db2.gz TYUAWSOFUUYDRA-NILFDRSVSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879581080 651326510 /nfs/dbraw/zinc/32/65/10/651326510.db2.gz WGBKNYRZZSCKSF-GXTWGEPZSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000880130056 651387291 /nfs/dbraw/zinc/38/72/91/651387291.db2.gz BUMAOFYDNGPKSO-HUUCEWRRSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000881802127 651887543 /nfs/dbraw/zinc/88/75/43/651887543.db2.gz VVKNAYSXMFJJMD-SECBINFHSA-N 1 0 280.303 2.025 20 5 CEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccnc(F)c3[N+](=O)[O-])C2)C1 ZINC000882400665 652057789 /nfs/dbraw/zinc/05/77/89/652057789.db2.gz KBNICJAFIFACHO-AWEZNQCLSA-N 1 0 294.330 2.051 20 5 CEBDRO Cc1cnc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882964055 652294435 /nfs/dbraw/zinc/29/44/35/652294435.db2.gz RLAMXISLTYOWID-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130918694 652355238 /nfs/dbraw/zinc/35/52/38/652355238.db2.gz KNEQCELWNOAAOB-XTZNXHDOSA-N 1 0 270.354 2.014 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])c1C ZINC000884292422 652783028 /nfs/dbraw/zinc/78/30/28/652783028.db2.gz ZEEULFKUHQVKHY-LLVKDONJSA-N 1 0 293.367 2.459 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCSCC2)cc1 ZINC000134485897 652847064 /nfs/dbraw/zinc/84/70/64/652847064.db2.gz LYUMQJDSZMAHGY-ZDUSSCGKSA-N 1 0 282.365 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCC2)c1 ZINC000134515561 652849108 /nfs/dbraw/zinc/84/91/08/652849108.db2.gz KPONEUIBWFBDDN-UHFFFAOYSA-N 1 0 270.716 2.253 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153684321 721885885 /nfs/dbraw/zinc/88/58/85/721885885.db2.gz AMMAEQMRZVGBFI-SNVBAGLBSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1cc(Cl)nc(N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC001165034100 721889223 /nfs/dbraw/zinc/88/92/23/721889223.db2.gz ATZDQPOMNHXBJI-JTQLQIEISA-N 1 0 298.774 2.482 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NCC1(F)CCOCC1)C[NH2+]C2 ZINC001168126737 806245429 /nfs/dbraw/zinc/24/54/29/806245429.db2.gz WCMOSTCUGFNZQH-UHFFFAOYSA-N 1 0 295.314 2.129 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H]1C[C@H](F)C1)C[NH2+]C2 ZINC001168238345 806429858 /nfs/dbraw/zinc/42/98/58/806429858.db2.gz XGVJOAOVFNECGR-JLIMDTESSA-N 1 0 265.288 2.358 20 5 CEBDRO C[C@H](CCNCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000697868784 806719038 /nfs/dbraw/zinc/71/90/38/806719038.db2.gz DQUDHQWEIUKJPB-LLVKDONJSA-N 1 0 251.330 2.025 20 5 CEBDRO CC(C)(C)OC(=O)N1CC2(CC(OCC[N+](C)(C)C)C2)C1 ZINC001224772405 806947707 /nfs/dbraw/zinc/94/77/07/806947707.db2.gz ZIGVUADACPWLBK-UHFFFAOYSA-N 1 0 299.435 2.109 20 5 CEBDRO CCOC(=O)[C@@H](CCc1ccccc1)OCC[N+](C)(C)C ZINC001224776014 806951492 /nfs/dbraw/zinc/95/14/92/806951492.db2.gz RGMLHKORHWJXKA-MRXNPFEDSA-N 1 0 294.415 2.274 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NCC1(O)CCOCC1 ZINC001167548154 803113267 /nfs/dbraw/zinc/11/32/67/803113267.db2.gz FDEMKHNJVNOURE-UHFFFAOYSA-N 1 0 293.431 2.236 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000724877846 803330119 /nfs/dbraw/zinc/33/01/19/803330119.db2.gz AVGPOQZEOQZCMF-ZLKJLUDKSA-N 1 0 280.324 2.049 20 5 CEBDRO CCC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267320833 803365722 /nfs/dbraw/zinc/36/57/22/803365722.db2.gz XXYCGLMVVXDIJU-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CN1CC[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000712533236 814762919 /nfs/dbraw/zinc/76/29/19/814762919.db2.gz ZAMNSAWQHDSIBB-MRVPVSSYSA-N 1 0 255.705 2.364 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC001117752664 814943362 /nfs/dbraw/zinc/94/33/62/814943362.db2.gz NAQZKYZSKRNJRO-CHWSQXEVSA-N 1 0 299.415 2.153 20 5 CEBDRO [NH3+]CCc1ccn(-c2ccc([N+](=O)[O-])c3ccccc32)n1 ZINC001167731563 803694676 /nfs/dbraw/zinc/69/46/76/803694676.db2.gz KHOMDGCPUGAXTD-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO N=C(Nc1cc([N+](=O)[O-])cc2cc[nH]c21)SCC[NH3+] ZINC001167915283 804705578 /nfs/dbraw/zinc/70/55/78/804705578.db2.gz SKDZDLUKFYLCJD-UHFFFAOYSA-N 1 0 279.325 2.115 20 5 CEBDRO COc1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1[N+](=O)[O-] ZINC000711581612 805216436 /nfs/dbraw/zinc/21/64/36/805216436.db2.gz GIAZDJPNGXRTFB-GXTWGEPZSA-N 1 0 277.324 2.300 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(F)c(F)cc21 ZINC001234031517 807524593 /nfs/dbraw/zinc/52/45/93/807524593.db2.gz ZRQZHNHIHDRVIC-VIFPVBQESA-N 1 0 282.314 2.382 20 5 CEBDRO Cc1[nH+]c(C)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001119559705 815130848 /nfs/dbraw/zinc/13/08/48/815130848.db2.gz ICWAMDHXVSSDFF-CQSZACIVSA-N 1 0 275.308 2.450 20 5 CEBDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000699477220 807724784 /nfs/dbraw/zinc/72/47/84/807724784.db2.gz DZWRPXWWYNWAFT-JQWIXIFHSA-N 1 0 250.298 2.109 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716730922 815144498 /nfs/dbraw/zinc/14/44/98/815144498.db2.gz NMPFTXTUMIWRIE-JTQLQIEISA-N 1 0 294.685 2.354 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699841830 807869184 /nfs/dbraw/zinc/86/91/84/807869184.db2.gz AAHWCTQLWHCMRU-QPUJVOFHSA-N 1 0 270.716 2.373 20 5 CEBDRO Cc1nc(-c2ccccc2)sc1C[NH2+]CC[N+](=O)[O-] ZINC001120563796 815238278 /nfs/dbraw/zinc/23/82/78/815238278.db2.gz VSMLTMIRRAZTNW-UHFFFAOYSA-N 1 0 277.349 2.485 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CO ZINC000700415270 809309433 /nfs/dbraw/zinc/30/94/33/809309433.db2.gz NBAAQBIRIPHYDW-ZYHUDNBSSA-N 1 0 282.315 2.184 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700602271 809330996 /nfs/dbraw/zinc/33/09/96/809330996.db2.gz HTJJXFMZJLWBRC-WPRPVWTQSA-N 1 0 297.742 2.105 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700627573 809333294 /nfs/dbraw/zinc/33/32/94/809333294.db2.gz GDSLDPBBOKWRNP-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1[NH3+] ZINC000702066240 809491727 /nfs/dbraw/zinc/49/17/27/809491727.db2.gz QRIGXZBLYRBBTP-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001122167299 815389871 /nfs/dbraw/zinc/38/98/71/815389871.db2.gz TTZSVQPHHASOTP-ABAIWWIYSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712335478 811193313 /nfs/dbraw/zinc/19/33/13/811193313.db2.gz KKVGJAJFNNASBA-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)C2CC[NH2+]CC2)n1 ZINC001156171792 811210606 /nfs/dbraw/zinc/21/06/06/811210606.db2.gz FVQYYNWQVKKCEG-UHFFFAOYSA-N 1 0 284.747 2.140 20 5 CEBDRO Cc1cccc(OCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978208 811306547 /nfs/dbraw/zinc/30/65/47/811306547.db2.gz PTWHQIUEHIOIIS-ZIAGYGMSSA-N 1 0 278.352 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2)C1 ZINC001168978864 811308359 /nfs/dbraw/zinc/30/83/59/811308359.db2.gz UZFJVVOSJTUKEZ-LERXQTSPSA-N 1 0 298.770 2.408 20 5 CEBDRO Cc1cccn2cc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)nc12 ZINC001168979172 811308518 /nfs/dbraw/zinc/30/85/18/811308518.db2.gz WSCMUSRUBSIBAK-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1cccn2cc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)nc12 ZINC001168979170 811309096 /nfs/dbraw/zinc/30/90/96/811309096.db2.gz WSCMUSRUBSIBAK-OLZOCXBDSA-N 1 0 288.351 2.178 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)N1O ZINC001168982794 811309675 /nfs/dbraw/zinc/30/96/75/811309675.db2.gz JAEZPNNPUDIQCM-UTUOFQBUSA-N 1 0 285.388 2.042 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC001168958559 811313212 /nfs/dbraw/zinc/31/32/12/811313212.db2.gz OGAXPXZZMUDASX-JSGCOSHPSA-N 1 0 266.316 2.403 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001168958924 811313996 /nfs/dbraw/zinc/31/39/96/811313996.db2.gz RHXZABLVRNCZMI-QWHCGFSZSA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnccc2Cl)C1 ZINC001168963051 811315081 /nfs/dbraw/zinc/31/50/81/811315081.db2.gz NPQFVWKKKRCEMA-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO Cc1cccc2ncc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)n21 ZINC001168964687 811316607 /nfs/dbraw/zinc/31/66/07/811316607.db2.gz VGZNOEYIWHMCGC-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO COC(=O)C1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168965517 811317327 /nfs/dbraw/zinc/31/73/27/811317327.db2.gz AGGZTZRYQKSTDZ-HHTDUIENSA-N 1 0 298.383 2.001 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001168970650 811320316 /nfs/dbraw/zinc/32/03/16/811320316.db2.gz HZGYGYZJMYJOHT-ZJUUUORDSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001168970649 811320411 /nfs/dbraw/zinc/32/04/11/811320411.db2.gz HZGYGYZJMYJOHT-VHSXEESVSA-N 1 0 269.732 2.270 20 5 CEBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001168994103 811324364 /nfs/dbraw/zinc/32/43/64/811324364.db2.gz PBLXNRUPHLQGQI-YNEHKIRRSA-N 1 0 270.373 2.227 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001169005970 811330518 /nfs/dbraw/zinc/33/05/18/811330518.db2.gz DQWGWRGSKNNZEK-UWVGGRQHSA-N 1 0 260.284 2.163 20 5 CEBDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(N)n1 ZINC001169006433 811331660 /nfs/dbraw/zinc/33/16/60/811331660.db2.gz IEPIZLJIRKRIAR-SLEUVZQESA-N 1 0 292.383 2.396 20 5 CEBDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(N)n1 ZINC001169006432 811331811 /nfs/dbraw/zinc/33/18/11/811331811.db2.gz IEPIZLJIRKRIAR-LALPHHSUSA-N 1 0 292.383 2.396 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)C1 ZINC001169011363 811333793 /nfs/dbraw/zinc/33/37/93/811333793.db2.gz KAOSOZWIVSKGHY-NNYUYHANSA-N 1 0 274.311 2.409 20 5 CEBDRO C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011798 811334044 /nfs/dbraw/zinc/33/40/44/811334044.db2.gz MJGZQMAXLMADHQ-STQMWFEESA-N 1 0 264.325 2.269 20 5 CEBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987222 811336073 /nfs/dbraw/zinc/33/60/73/811336073.db2.gz HQRMGNIODHAYDX-SLEUVZQESA-N 1 0 296.342 2.203 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncc(Cl)c2)C1 ZINC001168987890 811337487 /nfs/dbraw/zinc/33/74/87/811337487.db2.gz LDLLSUWDZBDSKK-BXKDBHETSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC001168988562 811337808 /nfs/dbraw/zinc/33/78/08/811337808.db2.gz SLLNGCIOPHNWIO-GZMMTYOYSA-N 1 0 287.722 2.409 20 5 CEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988063 811337847 /nfs/dbraw/zinc/33/78/47/811337847.db2.gz NCMPMNPOHUPYFQ-KWCYVHTRSA-N 1 0 278.352 2.358 20 5 CEBDRO [NH3+]Cc1cccc2ncn([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c21 ZINC001168988232 811338095 /nfs/dbraw/zinc/33/80/95/811338095.db2.gz PJYPHJPYMKVKOA-CMPLNLGQSA-N 1 0 274.324 2.113 20 5 CEBDRO COC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168987938 811338517 /nfs/dbraw/zinc/33/85/17/811338517.db2.gz LNKLZDVFAWEISJ-CFVMTHIKSA-N 1 0 278.352 2.409 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(OCc3ccccc3)C2)C1 ZINC001169027469 811339321 /nfs/dbraw/zinc/33/93/21/811339321.db2.gz QBENRFGDJNUXJU-HUUCEWRRSA-N 1 0 290.363 2.333 20 5 CEBDRO COCc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168991311 811339697 /nfs/dbraw/zinc/33/96/97/811339697.db2.gz GHPZRIIRLQWSCV-GJZGRUSLSA-N 1 0 278.352 2.368 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3occc3C2)C1 ZINC001169039956 811347665 /nfs/dbraw/zinc/34/76/65/811347665.db2.gz WHICRCIKVSXCRL-PWSUYJOCSA-N 1 0 250.298 2.083 20 5 CEBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018864 811353078 /nfs/dbraw/zinc/35/30/78/811353078.db2.gz CUTYZKWYONHNFE-KBXIAJHMSA-N 1 0 282.384 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001169023915 811355252 /nfs/dbraw/zinc/35/52/52/811355252.db2.gz VJTMQTOGFGOBFQ-BXUZGUMPSA-N 1 0 276.336 2.196 20 5 CEBDRO CCCC[N@H+](CC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049039 811357594 /nfs/dbraw/zinc/35/75/94/811357594.db2.gz VUJJLNHPHSSDEF-QWHCGFSZSA-N 1 0 286.372 2.097 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001169230002 811442347 /nfs/dbraw/zinc/44/23/47/811442347.db2.gz NMWVGCZANYUGGX-VIFPVBQESA-N 1 0 287.323 2.074 20 5 CEBDRO Cc1cnc(NCC23CC[NH+](CC2)CC3)cc1[N+](=O)[O-] ZINC001169796971 811673942 /nfs/dbraw/zinc/67/39/42/811673942.db2.gz WJNZEFVHFLSQOD-UHFFFAOYSA-N 1 0 276.340 2.196 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318658 812386338 /nfs/dbraw/zinc/38/63/38/812386338.db2.gz QZVPXKAKZSGHRL-NEPJUHHUSA-N 1 0 295.383 2.061 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC001170330338 812388646 /nfs/dbraw/zinc/38/86/46/812388646.db2.gz ZLIRIZWIPUEQRB-GFCCVEGCSA-N 1 0 294.351 2.257 20 5 CEBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC001170330339 812389427 /nfs/dbraw/zinc/38/94/27/812389427.db2.gz ZLIRIZWIPUEQRB-LBPRGKRZSA-N 1 0 294.351 2.257 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CSC1 ZINC001254538206 812476058 /nfs/dbraw/zinc/47/60/58/812476058.db2.gz RIGHWVJZNUSDLD-SNVBAGLBSA-N 1 0 266.366 2.478 20 5 CEBDRO [NH3+][C@@H]1CCCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900343 815539764 /nfs/dbraw/zinc/53/97/64/815539764.db2.gz SMZKUNABBMJUEU-HUUCEWRRSA-N 1 0 289.379 2.265 20 5 CEBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C2(CCCC2)C1 ZINC001158408958 812690064 /nfs/dbraw/zinc/69/00/64/812690064.db2.gz UBFXXRFUUSCFOI-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001158764326 812977376 /nfs/dbraw/zinc/97/73/76/812977376.db2.gz OYWWAKQLLHFXBD-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO Cc1cc(NC(=O)C2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC001124126063 815601142 /nfs/dbraw/zinc/60/11/42/815601142.db2.gz BYMSFYSPROWHEU-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000712569715 814767098 /nfs/dbraw/zinc/76/70/98/814767098.db2.gz BXNRKINJOAGGDV-FZMZJTMJSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1c(CN(CC[NH3+])CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000713311686 814849956 /nfs/dbraw/zinc/84/99/56/814849956.db2.gz KZESCKOLEBIYJX-UHFFFAOYSA-N 1 0 291.273 2.226 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC([NH2+]C(C)C)CC1 ZINC001116907825 814890902 /nfs/dbraw/zinc/89/09/02/814890902.db2.gz VADGYTDWIKOCRM-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173217116 815623866 /nfs/dbraw/zinc/62/38/66/815623866.db2.gz PGCCAXXMIVJVOB-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1C ZINC001173217314 815624978 /nfs/dbraw/zinc/62/49/78/815624978.db2.gz STIVJNVUNVYJBF-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1CC[NH2+]C2 ZINC001173222033 815626585 /nfs/dbraw/zinc/62/65/85/815626585.db2.gz OPLACNWKAWBUBN-LLVKDONJSA-N 1 0 286.335 2.241 20 5 CEBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222137 815627541 /nfs/dbraw/zinc/62/75/41/815627541.db2.gz PIAPNQMOCYVDTE-SMDDNHRTSA-N 1 0 264.325 2.247 20 5 CEBDRO CCCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173228783 815631607 /nfs/dbraw/zinc/63/16/07/815631607.db2.gz KINNWUVSACWOGW-FZMZJTMJSA-N 1 0 293.367 2.160 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC[C@H]1F ZINC001173234776 815633945 /nfs/dbraw/zinc/63/39/45/815633945.db2.gz PXUDDNQUHDMUCV-HONMWMINSA-N 1 0 282.315 2.242 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001173213815 815636541 /nfs/dbraw/zinc/63/65/41/815636541.db2.gz KRXJVRQMWWQBPQ-TZMCWYRMSA-N 1 0 277.368 2.067 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(CC[NH3+])n1 ZINC001173214322 815637207 /nfs/dbraw/zinc/63/72/07/815637207.db2.gz ANKPRPOISDSLTQ-LLVKDONJSA-N 1 0 274.324 2.096 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000127661657 187324586 /nfs/dbraw/zinc/32/45/86/187324586.db2.gz LBWMPMIDPHXSGM-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[N@@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033394666 361777453 /nfs/dbraw/zinc/77/74/53/361777453.db2.gz YYTUBUJHTGVGJR-DAXSKMNVSA-N 1 0 275.352 2.246 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179631958 282121414 /nfs/dbraw/zinc/12/14/14/282121414.db2.gz ZMXGCZLHAXPUHH-DYLGSBMWSA-N 1 0 289.379 2.492 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449163334 282126975 /nfs/dbraw/zinc/12/69/75/282126975.db2.gz LVXRVLXGMSFKOM-FZMZJTMJSA-N 1 0 298.408 2.229 20 5 CEBDRO [NH3+][C@H]1CCCCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324964 346821553 /nfs/dbraw/zinc/82/15/53/346821553.db2.gz SQKDMWKTYJJBEJ-AWEZNQCLSA-N 1 0 277.368 2.341 20 5 CEBDRO CCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036228858 361835984 /nfs/dbraw/zinc/83/59/84/361835984.db2.gz OGGZBPUGLSVBHQ-UHFFFAOYSA-N 1 0 258.705 2.374 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037619306 361912962 /nfs/dbraw/zinc/91/29/62/361912962.db2.gz YVHMQCSEVSDYFN-NSHDSACASA-N 1 0 265.313 2.359 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037619307 361913030 /nfs/dbraw/zinc/91/30/30/361913030.db2.gz YVHMQCSEVSDYFN-LLVKDONJSA-N 1 0 265.313 2.359 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449232678 282151401 /nfs/dbraw/zinc/15/14/01/282151401.db2.gz ISXOGSSTHUUBMK-WOPDTQHZSA-N 1 0 266.341 2.275 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738750 361926653 /nfs/dbraw/zinc/92/66/53/361926653.db2.gz GGCGAOXQDJNSHJ-LBPRGKRZSA-N 1 0 250.298 2.029 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000037782519 361937702 /nfs/dbraw/zinc/93/77/02/361937702.db2.gz AKVPUEDDFGXHIV-LBPRGKRZSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485771 187187329 /nfs/dbraw/zinc/18/73/29/187187329.db2.gz OFWWTEUBXXJTDX-AWEZNQCLSA-N 1 0 277.368 2.287 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338049231 214377288 /nfs/dbraw/zinc/37/72/88/214377288.db2.gz QOTXYXQPOKPSBU-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000080646305 344018367 /nfs/dbraw/zinc/01/83/67/344018367.db2.gz HQGZDRHEWFMBEB-LBPRGKRZSA-N 1 0 293.367 2.283 20 5 CEBDRO COc1cc(C[NH2+]C2CC(C)(F)C2)c([N+](=O)[O-])cc1O ZINC000449371303 282203799 /nfs/dbraw/zinc/20/37/99/282203799.db2.gz STWGQDWPRHAMOC-UHFFFAOYSA-N 1 0 284.287 2.289 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192559241 529690296 /nfs/dbraw/zinc/69/02/96/529690296.db2.gz CMWWFRRDAMCETR-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO Cc1nn(C)c(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000051227102 343549105 /nfs/dbraw/zinc/54/91/05/343549105.db2.gz VMAPOSMKWKOZKL-UHFFFAOYSA-N 1 0 295.387 2.313 20 5 CEBDRO CC1CC[NH+](CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000054779528 343594165 /nfs/dbraw/zinc/59/41/65/343594165.db2.gz CPOBCFMKNDNRIQ-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CCc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414333951 529755658 /nfs/dbraw/zinc/75/56/58/529755658.db2.gz UEUWRLVXHAGWDV-UHFFFAOYSA-N 1 0 286.335 2.280 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336724205 365786373 /nfs/dbraw/zinc/78/63/73/365786373.db2.gz BECMFPOTUFETRT-IONNQARKSA-N 1 0 258.368 2.497 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000063464805 343677626 /nfs/dbraw/zinc/67/76/26/343677626.db2.gz LYQQLSWMMYXKHB-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000602070031 346968824 /nfs/dbraw/zinc/96/88/24/346968824.db2.gz HCVUGFRQNZLCBX-RISCZKNCSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000068087650 343754530 /nfs/dbraw/zinc/75/45/30/343754530.db2.gz CPSBRHYSIKSARS-BETUJISGSA-N 1 0 298.346 2.474 20 5 CEBDRO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](C)C ZINC000602133162 346980622 /nfs/dbraw/zinc/98/06/22/346980622.db2.gz OUMPBZNAHBSKQF-LLVKDONJSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000602133269 346980705 /nfs/dbraw/zinc/98/07/05/346980705.db2.gz QXYGZKIREHKFGO-FZMZJTMJSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602151518 346982695 /nfs/dbraw/zinc/98/26/95/346982695.db2.gz JVWIXMAFOSTTBJ-LBPRGKRZSA-N 1 0 291.351 2.492 20 5 CEBDRO CCO[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404586 343889982 /nfs/dbraw/zinc/88/99/82/343889982.db2.gz JTCZAUHRZCNHGB-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077994880 343939005 /nfs/dbraw/zinc/93/90/05/343939005.db2.gz IHYBMMRICFGBIU-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671124 343960850 /nfs/dbraw/zinc/96/08/50/343960850.db2.gz URCAMZXKUOQEIP-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048580785 362287185 /nfs/dbraw/zinc/28/71/85/362287185.db2.gz NRQGUXNHMJQWJR-ZDUSSCGKSA-N 1 0 292.335 2.370 20 5 CEBDRO COCC[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000088494243 344109900 /nfs/dbraw/zinc/10/99/00/344109900.db2.gz LTUYVKDJKOVBIU-NSHDSACASA-N 1 0 252.314 2.452 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000091475991 344164279 /nfs/dbraw/zinc/16/42/79/344164279.db2.gz MXPSNYAMPJVGDI-UHFFFAOYSA-N 1 0 275.312 2.097 20 5 CEBDRO CC[C@H](COC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910051 344146495 /nfs/dbraw/zinc/14/64/95/344146495.db2.gz WNVIZXURCRPEJA-GFCCVEGCSA-N 1 0 252.314 2.152 20 5 CEBDRO CCc1nn(C)c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000094166783 344234769 /nfs/dbraw/zinc/23/47/69/344234769.db2.gz WEZRZWPOFWMLKG-JTQLQIEISA-N 1 0 297.403 2.279 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442509 347034281 /nfs/dbraw/zinc/03/42/81/347034281.db2.gz BZRFJQLFABZTIQ-ZDUSSCGKSA-N 1 0 293.367 2.317 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449709846 282337096 /nfs/dbraw/zinc/33/70/96/282337096.db2.gz KKDTZICWPHPXMB-IUCAKERBSA-N 1 0 297.742 2.105 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122406551 344306537 /nfs/dbraw/zinc/30/65/37/344306537.db2.gz FDMZEHQYUSXDSM-YPMHNXCESA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000122530677 344306908 /nfs/dbraw/zinc/30/69/08/344306908.db2.gz CMEWLHRZVMRHLH-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122627529 344307616 /nfs/dbraw/zinc/30/76/16/344307616.db2.gz LACASCSUUMVZQG-GWCFXTLKSA-N 1 0 292.339 2.186 20 5 CEBDRO Cn1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602477037 347050662 /nfs/dbraw/zinc/05/06/62/347050662.db2.gz OVSPQQKOMYGBDV-VXGBXAGGSA-N 1 0 296.396 2.188 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CCCC2)cc1 ZINC000160157690 344457771 /nfs/dbraw/zinc/45/77/71/344457771.db2.gz JLGXLGITGCXWOV-UHFFFAOYSA-N 1 0 278.352 2.280 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000226734058 344550867 /nfs/dbraw/zinc/55/08/67/344550867.db2.gz AOROVKBPSZADIT-ZWKOPEQDSA-N 1 0 264.325 2.405 20 5 CEBDRO C[NH+](C)C(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506926 347061185 /nfs/dbraw/zinc/06/11/85/347061185.db2.gz YNTCADCSOFBJOR-UHFFFAOYSA-N 1 0 292.339 2.166 20 5 CEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602502728 347059606 /nfs/dbraw/zinc/05/96/06/347059606.db2.gz MEFVBZBKJOFPTN-NSHDSACASA-N 1 0 290.367 2.347 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000053204428 362487872 /nfs/dbraw/zinc/48/78/72/362487872.db2.gz BPQMKAUKKXPXJW-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CCN(CC)[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602510360 347061879 /nfs/dbraw/zinc/06/18/79/347061879.db2.gz MNVFKJIBIGEWSC-CYBMUJFWSA-N 1 0 279.384 2.457 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000312515300 344738674 /nfs/dbraw/zinc/73/86/74/344738674.db2.gz ATUWJQRGEHJEAS-JGVFFNPUSA-N 1 0 293.352 2.152 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000449752406 282354512 /nfs/dbraw/zinc/35/45/12/282354512.db2.gz MWHAZHKHZQNIGQ-NXQOJNSDSA-N 1 0 262.309 2.111 20 5 CEBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1csc([N+](=O)[O-])c1 ZINC000401671338 344869060 /nfs/dbraw/zinc/86/90/60/344869060.db2.gz QZZCJJBCHSABOG-JTQLQIEISA-N 1 0 295.364 2.061 20 5 CEBDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222905 344878530 /nfs/dbraw/zinc/87/85/30/344878530.db2.gz ZPVDROPUZDUVBQ-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000588815992 345055995 /nfs/dbraw/zinc/05/59/95/345055995.db2.gz JSQQXOSKZMBUTK-GFCCVEGCSA-N 1 0 295.387 2.086 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000590122723 345115205 /nfs/dbraw/zinc/11/52/05/345115205.db2.gz FFEFHLBKJKLKGZ-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO CC(=O)c1cc(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000590140622 345117060 /nfs/dbraw/zinc/11/70/60/345117060.db2.gz OAPMBUXBRGZXHH-LBPRGKRZSA-N 1 0 291.351 2.185 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000590720110 345167855 /nfs/dbraw/zinc/16/78/55/345167855.db2.gz NZEMQJIOQKNIRJ-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO CCC(C)(C)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000590778304 345180340 /nfs/dbraw/zinc/18/03/40/345180340.db2.gz TXPZSTUDULWGCQ-JTQLQIEISA-N 1 0 254.334 2.206 20 5 CEBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590402646 345133451 /nfs/dbraw/zinc/13/34/51/345133451.db2.gz GBBDSKXJBZWWHY-WCQYABFASA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437338 345254357 /nfs/dbraw/zinc/25/43/57/345254357.db2.gz GNIKJBSEVLSAPM-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677257 345273970 /nfs/dbraw/zinc/27/39/70/345273970.db2.gz CYVMXQFSFGUGLA-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[C@@H]1[NH3+] ZINC000592330927 345343015 /nfs/dbraw/zinc/34/30/15/345343015.db2.gz FIBBMBXRRSGONF-ZJUUUORDSA-N 1 0 297.380 2.164 20 5 CEBDRO O=[N+]([O-])c1cn(CC[C@@H]2CCC[NH2+]C2)nc1C1CC1 ZINC000592169647 345333642 /nfs/dbraw/zinc/33/36/42/345333642.db2.gz DREITBIQHYJVGM-JTQLQIEISA-N 1 0 264.329 2.058 20 5 CEBDRO Cc1sc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710698 362593449 /nfs/dbraw/zinc/59/34/49/362593449.db2.gz QPYOSHZOZBXCED-MRVPVSSYSA-N 1 0 297.380 2.177 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725267 345528009 /nfs/dbraw/zinc/52/80/09/345528009.db2.gz WXRSHENIRGHLQH-DOMZBBRYSA-N 1 0 294.351 2.095 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cnccn1 ZINC000594503127 345639644 /nfs/dbraw/zinc/63/96/44/345639644.db2.gz TVYSPUMTZMQORI-CQSZACIVSA-N 1 0 284.319 2.204 20 5 CEBDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594717703 345677584 /nfs/dbraw/zinc/67/75/84/345677584.db2.gz FIMINQICOFJRED-CHWSQXEVSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH3+])CCCC1 ZINC000594738624 345682554 /nfs/dbraw/zinc/68/25/54/345682554.db2.gz INYJWBZMSRCBGH-UHFFFAOYSA-N 1 0 263.341 2.264 20 5 CEBDRO Cn1cc(CCC[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000602580368 347086910 /nfs/dbraw/zinc/08/69/10/347086910.db2.gz MYBRHZZIWZAFEP-UHFFFAOYSA-N 1 0 288.351 2.093 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@H](O)C1)C1CC1 ZINC000595105062 345742976 /nfs/dbraw/zinc/74/29/76/345742976.db2.gz WMBGHRUXPYJYLH-MGPQQGTHSA-N 1 0 276.336 2.029 20 5 CEBDRO Cc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595229866 345746889 /nfs/dbraw/zinc/74/68/89/345746889.db2.gz GCDRCVNWKULJSM-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594961567 345717999 /nfs/dbraw/zinc/71/79/99/345717999.db2.gz AGBOFBOQAMFWQJ-SIFORAMQSA-N 1 0 296.392 2.374 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964641 345718582 /nfs/dbraw/zinc/71/85/82/345718582.db2.gz LLKHEDIIGTUDEK-HKMRUAMVSA-N 1 0 296.392 2.374 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000595024189 345729359 /nfs/dbraw/zinc/72/93/59/345729359.db2.gz YIFALTTYNCWNPE-VHSXEESVSA-N 1 0 282.340 2.413 20 5 CEBDRO Cc1noc(C[N@@H+](C[C@H](C)O)C2CCCCC2)c1[N+](=O)[O-] ZINC000595305261 345758420 /nfs/dbraw/zinc/75/84/20/345758420.db2.gz ZQHDUYIXODVZCX-JTQLQIEISA-N 1 0 297.355 2.407 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)O ZINC000595041487 345733746 /nfs/dbraw/zinc/73/37/46/345733746.db2.gz MCWVZNRJPYGCAL-NRUUGDAUSA-N 1 0 282.340 2.413 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595389161 345772655 /nfs/dbraw/zinc/77/26/55/345772655.db2.gz LZIWRZUECZSZAX-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390894 345772945 /nfs/dbraw/zinc/77/29/45/345772945.db2.gz ZPUXABXGNDAFKB-QWRGUYRKSA-N 1 0 282.315 2.327 20 5 CEBDRO COCC[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595460980 345788869 /nfs/dbraw/zinc/78/88/69/345788869.db2.gz JEPFKMCGNVRJOX-AWEZNQCLSA-N 1 0 298.314 2.019 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595467537 345790630 /nfs/dbraw/zinc/79/06/30/345790630.db2.gz MVXRQXZJTSVNOV-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513531 345801410 /nfs/dbraw/zinc/80/14/10/345801410.db2.gz VMWNDYZVWJNQAI-MFKMUULPSA-N 1 0 283.328 2.184 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000595515584 345801421 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CEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCC2CC2)CC2CC2)n1 ZINC000595872303 345902805 /nfs/dbraw/zinc/90/28/05/345902805.db2.gz UXUXOKRNPFIAFX-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875175 345903856 /nfs/dbraw/zinc/90/38/56/345903856.db2.gz PYVDYYQHMFDQOK-NHYWBVRUSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595907048 345910727 /nfs/dbraw/zinc/91/07/27/345910727.db2.gz DVGPSEGKYMFHIC-KWQFWETISA-N 1 0 291.273 2.477 20 5 CEBDRO Cc1c(CN(C)[C@@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595908114 345910878 /nfs/dbraw/zinc/91/08/78/345910878.db2.gz NFLNTEHGRPSMFT-NSHDSACASA-N 1 0 291.273 2.225 20 5 CEBDRO C[C@@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CN1C1CC1 ZINC000596156630 345954228 /nfs/dbraw/zinc/95/42/28/345954228.db2.gz QQJSFJLZEOWJND-BDAKNGLRSA-N 1 0 296.758 2.102 20 5 CEBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000596073573 345933505 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CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000310758125 201878138 /nfs/dbraw/zinc/87/81/38/201878138.db2.gz JXGQENOVVGHQIT-NSHDSACASA-N 1 0 252.314 2.188 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652857 346072437 /nfs/dbraw/zinc/07/24/37/346072437.db2.gz JISAOLUXKDKUTG-RISCZKNCSA-N 1 0 277.368 2.113 20 5 CEBDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000602585661 347089089 /nfs/dbraw/zinc/08/90/89/347089089.db2.gz HWQJZTWODGHOTR-WCQYABFASA-N 1 0 291.351 2.132 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC2(COC2)C1 ZINC000597229572 346155398 /nfs/dbraw/zinc/15/53/98/346155398.db2.gz MKSOYTZVKYFBEY-HYXAFXHYSA-N 1 0 274.320 2.330 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000597531798 346199027 /nfs/dbraw/zinc/19/90/27/346199027.db2.gz GUTHBXNWAQNAKV-TZMCWYRMSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000597664955 346212538 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CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000599010636 346446291 /nfs/dbraw/zinc/44/62/91/346446291.db2.gz SUKNQZWYEAIGHQ-FZMZJTMJSA-N 1 0 280.299 2.391 20 5 CEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914359 346433398 /nfs/dbraw/zinc/43/33/98/346433398.db2.gz BGNWIWCHRKUSKI-QMMMGPOBSA-N 1 0 298.730 2.061 20 5 CEBDRO [NH3+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000598915127 346433465 /nfs/dbraw/zinc/43/34/65/346433465.db2.gz IICBJISUGFZREF-SNVBAGLBSA-N 1 0 298.730 2.107 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000599082451 346457397 /nfs/dbraw/zinc/45/73/97/346457397.db2.gz CEAHQIBDHYWLPJ-IWIIMEHWSA-N 1 0 281.743 2.244 20 5 CEBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110067 346461137 /nfs/dbraw/zinc/46/11/37/346461137.db2.gz FBZJBLRLZNYTDH-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599605437 346545179 /nfs/dbraw/zinc/54/51/79/346545179.db2.gz WCUZKAINVCJWJN-WDEREUQCSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000599623943 346547304 /nfs/dbraw/zinc/54/73/04/346547304.db2.gz INMDSVQNIBYTOL-UUIJZJDISA-N 1 0 294.351 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(F)c1 ZINC000599639901 346551262 /nfs/dbraw/zinc/55/12/62/346551262.db2.gz QTRFFZVETTXNHH-SWLSCSKDSA-N 1 0 294.326 2.328 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000600677959 346671812 /nfs/dbraw/zinc/67/18/12/346671812.db2.gz LXMLGQJAZBOOPK-QWHCGFSZSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600679433 346672468 /nfs/dbraw/zinc/67/24/68/346672468.db2.gz KEYPNWLBJSJDNH-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129344658 365849554 /nfs/dbraw/zinc/84/95/54/365849554.db2.gz ODAUPDBISQNRGI-NSPYISDASA-N 1 0 284.381 2.150 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCOC2)c(F)c1 ZINC000336809497 365846457 /nfs/dbraw/zinc/84/64/57/365846457.db2.gz FQMLSDQPPKJFHL-JTQLQIEISA-N 1 0 268.288 2.250 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3COCC[NH2+]3)cc2)cn1 ZINC000600790257 346690869 /nfs/dbraw/zinc/69/08/69/346690869.db2.gz ZVEGMQDLOLIZSQ-CQSZACIVSA-N 1 0 285.303 2.318 20 5 CEBDRO CCC(CC)[NH2+]CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601186009 346780510 /nfs/dbraw/zinc/78/05/10/346780510.db2.gz BJILLEQBYNZPGJ-UHFFFAOYSA-N 1 0 270.308 2.319 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1(C)C ZINC000602615520 347104609 /nfs/dbraw/zinc/10/46/09/347104609.db2.gz INPXQAGXGWBWLV-JTQLQIEISA-N 1 0 266.345 2.196 20 5 CEBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602675418 347137017 /nfs/dbraw/zinc/13/70/17/347137017.db2.gz IOIAXDFJAFFYMX-NSHDSACASA-N 1 0 291.307 2.347 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000602691495 347149880 /nfs/dbraw/zinc/14/98/80/347149880.db2.gz CXPAJGJCSYHSJI-ZIAGYGMSSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000063582831 362771122 /nfs/dbraw/zinc/77/11/22/362771122.db2.gz JQLIPIDVYYBMIQ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCC1 ZINC000063703117 362773576 /nfs/dbraw/zinc/77/35/76/362773576.db2.gz BZQLEHDLPJALBD-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776993 347194475 /nfs/dbraw/zinc/19/44/75/347194475.db2.gz BNAYESAGCJYWMD-LBPRGKRZSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000602792086 347199750 /nfs/dbraw/zinc/19/97/50/347199750.db2.gz UTVIUQPKQBTWLJ-ZDUSSCGKSA-N 1 0 289.339 2.265 20 5 CEBDRO CCC1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCC1 ZINC000602835875 347218509 /nfs/dbraw/zinc/21/85/09/347218509.db2.gz KGKGSCBZUVZGRS-UHFFFAOYSA-N 1 0 252.318 2.141 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)(C)C ZINC000602836773 347219242 /nfs/dbraw/zinc/21/92/42/347219242.db2.gz IMWVTNQHKUNANM-UHFFFAOYSA-N 1 0 268.361 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000602917567 347246038 /nfs/dbraw/zinc/24/60/38/347246038.db2.gz NLUSWOBMESSRID-UHFFFAOYSA-N 1 0 278.356 2.366 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000085982710 179209944 /nfs/dbraw/zinc/20/99/44/179209944.db2.gz LVZOJIBSFUFKFV-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO CSCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000604477489 347417255 /nfs/dbraw/zinc/41/72/55/347417255.db2.gz ZCQHASUMNMQORM-JTQLQIEISA-N 1 0 297.380 2.265 20 5 CEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000604552486 347422446 /nfs/dbraw/zinc/42/24/46/347422446.db2.gz RKHYABSEABCFJC-SECBINFHSA-N 1 0 297.380 2.116 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000609595615 347646118 /nfs/dbraw/zinc/64/61/18/347646118.db2.gz XQOGZMOHXUDUDH-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609798239 347651571 /nfs/dbraw/zinc/65/15/71/347651571.db2.gz KLYVVWXYGSNBKT-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585529 347694320 /nfs/dbraw/zinc/69/43/20/347694320.db2.gz RXSYHIDMXCIJKF-DGCLKSJQSA-N 1 0 289.335 2.408 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610605194 347695637 /nfs/dbraw/zinc/69/56/37/347695637.db2.gz PLSMGNBXJQYVCJ-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221675 347753194 /nfs/dbraw/zinc/75/31/94/347753194.db2.gz MEXBFGHZRKZXCA-VXGBXAGGSA-N 1 0 278.356 2.217 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000336848593 365923710 /nfs/dbraw/zinc/92/37/10/365923710.db2.gz LIQDZWRWOSTHAN-VXGBXAGGSA-N 1 0 293.371 2.158 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC(C)(C)C1 ZINC000351929331 219250982 /nfs/dbraw/zinc/25/09/82/219250982.db2.gz WKIPBHUVLKFDEE-GFCCVEGCSA-N 1 0 296.371 2.071 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000087027914 179381601 /nfs/dbraw/zinc/38/16/01/179381601.db2.gz AXUXVXBPUGMCEO-ZDUSSCGKSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000087009745 179378701 /nfs/dbraw/zinc/37/87/01/179378701.db2.gz ITLFXFDXXNREOX-SNVBAGLBSA-N 1 0 252.314 2.325 20 5 CEBDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000066832894 362888487 /nfs/dbraw/zinc/88/84/87/362888487.db2.gz ITAOLYLKOZZQLJ-ZDUSSCGKSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000273450053 192155490 /nfs/dbraw/zinc/15/54/90/192155490.db2.gz YOPJDPWLHPNLQY-CZUORRHYSA-N 1 0 289.379 2.429 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000617208022 348649667 /nfs/dbraw/zinc/64/96/67/348649667.db2.gz CUENJKBKYQEKRR-AWEZNQCLSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1nccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339533464 215233081 /nfs/dbraw/zinc/23/30/81/215233081.db2.gz WOOMFWHTTYFJET-UHFFFAOYSA-N 1 0 290.298 2.165 20 5 CEBDRO COC1(CO)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000618551758 348973300 /nfs/dbraw/zinc/97/33/00/348973300.db2.gz WANXBCXXVKEKHQ-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000619498404 349189148 /nfs/dbraw/zinc/18/91/48/349189148.db2.gz SWCKJNVLDZIMHM-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000619566985 349200261 /nfs/dbraw/zinc/20/02/61/349200261.db2.gz FRHCBJOZWKDLKW-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538637 180000411 /nfs/dbraw/zinc/00/04/11/180000411.db2.gz ZMJLGZSOASHPKU-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO Cc1cnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692037 180024413 /nfs/dbraw/zinc/02/44/13/180024413.db2.gz ZRVFUPPFROYVRA-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO Cc1cnc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000090692121 180024568 /nfs/dbraw/zinc/02/45/68/180024568.db2.gz WMDOUVJLEJSBAY-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692106 180024677 /nfs/dbraw/zinc/02/46/77/180024677.db2.gz HFCCCAZYFFUDCN-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cnc(NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090691955 180024833 /nfs/dbraw/zinc/02/48/33/180024833.db2.gz IXJMFISYHCCJTM-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000090738846 180034821 /nfs/dbraw/zinc/03/48/21/180034821.db2.gz UWKJXUSIYQAAEL-TVQRCGJNSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720465 180030527 /nfs/dbraw/zinc/03/05/27/180030527.db2.gz XUFGGAHQBXCYFY-MWLCHTKSSA-N 1 0 269.370 2.229 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCO[C@@H](CF)C2)cc1 ZINC000411866048 233293760 /nfs/dbraw/zinc/29/37/60/233293760.db2.gz WYIOJFCVPFPLTL-AWEZNQCLSA-N 1 0 282.315 2.198 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411937111 233303334 /nfs/dbraw/zinc/30/33/34/233303334.db2.gz LTXSSQBGYQSSNZ-YPMHNXCESA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000091562527 180192689 /nfs/dbraw/zinc/19/26/89/180192689.db2.gz SGOSBMGJRMFYQR-UHFFFAOYSA-N 1 0 295.387 2.177 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093438 233337020 /nfs/dbraw/zinc/33/70/20/233337020.db2.gz RTHWCYYMQRLSLG-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339710139 215309383 /nfs/dbraw/zinc/30/93/83/215309383.db2.gz FZGNHHPEGIDVFP-MNOVXSKESA-N 1 0 278.356 2.339 20 5 CEBDRO CC[NH2+][C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504865 186257707 /nfs/dbraw/zinc/25/77/07/186257707.db2.gz DWNRCLYLEQWMFU-MRVPVSSYSA-N 1 0 262.269 2.315 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074726 363027058 /nfs/dbraw/zinc/02/70/58/363027058.db2.gz LNHOHGCIBFPUSG-NWDGAFQWSA-N 1 0 263.341 2.154 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074601 363027169 /nfs/dbraw/zinc/02/71/69/363027169.db2.gz MZMHJHAGFUJQLE-VXGBXAGGSA-N 1 0 293.367 2.163 20 5 CEBDRO CC(C)([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000070117729 363034097 /nfs/dbraw/zinc/03/40/97/363034097.db2.gz LXGRUHHDZKSLMG-UHFFFAOYSA-N 1 0 281.703 2.023 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070173384 363047699 /nfs/dbraw/zinc/04/76/99/363047699.db2.gz OOCXDYTUDCGWDR-QWRGUYRKSA-N 1 0 292.339 2.186 20 5 CEBDRO C[NH2+]CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000121669950 186988210 /nfs/dbraw/zinc/98/82/10/186988210.db2.gz UIZHCDNOPRPMKC-UHFFFAOYSA-N 1 0 293.367 2.232 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122733769 187048017 /nfs/dbraw/zinc/04/80/17/187048017.db2.gz UHRJMJPNESTJFX-VIFPVBQESA-N 1 0 285.369 2.102 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000132567350 187635020 /nfs/dbraw/zinc/63/50/20/187635020.db2.gz ARHLCWIULVEPPJ-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000072869480 363174482 /nfs/dbraw/zinc/17/44/82/363174482.db2.gz JTPZHLCAAKDTPL-RYUDHWBXSA-N 1 0 291.351 2.430 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530141 191193875 /nfs/dbraw/zinc/19/38/75/191193875.db2.gz RWPBVVFEJGTMMC-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000073000360 363191090 /nfs/dbraw/zinc/19/10/90/363191090.db2.gz RDKYFZRYGQYACK-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152964531 188056429 /nfs/dbraw/zinc/05/64/29/188056429.db2.gz KCYGOFWVAKNLNC-NFAWXSAZSA-N 1 0 292.335 2.403 20 5 CEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000155677361 188221702 /nfs/dbraw/zinc/22/17/02/188221702.db2.gz XTPJTHKXGDIADT-UWVGGRQHSA-N 1 0 297.380 2.115 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155749246 188225055 /nfs/dbraw/zinc/22/50/55/188225055.db2.gz ZYDDXHMZOADURY-RISCZKNCSA-N 1 0 291.351 2.053 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000073779122 363248366 /nfs/dbraw/zinc/24/83/66/363248366.db2.gz NRQSOODVJGSPFE-JTQLQIEISA-N 1 0 277.324 2.264 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713353 191287118 /nfs/dbraw/zinc/28/71/18/191287118.db2.gz JMUNHFDEPNHMGN-NEPJUHHUSA-N 1 0 282.340 2.031 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)n1 ZINC000162613911 188581237 /nfs/dbraw/zinc/58/12/37/188581237.db2.gz QSCNVPWKWJXPIH-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000569728443 299215368 /nfs/dbraw/zinc/21/53/68/299215368.db2.gz NGDUDZWQUPTCMV-UWVGGRQHSA-N 1 0 279.340 2.013 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743050 299216413 /nfs/dbraw/zinc/21/64/13/299216413.db2.gz FNJKJTHCRVLLFE-BXUZGUMPSA-N 1 0 286.335 2.457 20 5 CEBDRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550059 283031115 /nfs/dbraw/zinc/03/11/15/283031115.db2.gz QRKSKKNTFXHHDZ-TZMCWYRMSA-N 1 0 291.351 2.038 20 5 CEBDRO COc1cc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563667 283036246 /nfs/dbraw/zinc/03/62/46/283036246.db2.gz JYMJCNZJJRNIEI-RISCZKNCSA-N 1 0 294.351 2.460 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000074742721 363380060 /nfs/dbraw/zinc/38/00/60/363380060.db2.gz LUOIAAUAPMYCMU-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc(N2CCC[N@@H+](C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747285 363381360 /nfs/dbraw/zinc/38/13/60/363381360.db2.gz NIAZEDHJXFLZBL-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074749680 363382324 /nfs/dbraw/zinc/38/23/24/363382324.db2.gz CUAVMLOFZAEWOB-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000074772764 363387889 /nfs/dbraw/zinc/38/78/89/363387889.db2.gz HOWVVNXOGDLOEO-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO COC1(C)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271799257 191333324 /nfs/dbraw/zinc/33/33/24/191333324.db2.gz WFOHZCJGTPROER-AWEZNQCLSA-N 1 0 294.351 2.129 20 5 CEBDRO CC(C)CC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000595831439 540142845 /nfs/dbraw/zinc/14/28/45/540142845.db2.gz NVYZBSAZHMWWDE-UHFFFAOYSA-N 1 0 291.351 2.362 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000375034497 283153642 /nfs/dbraw/zinc/15/36/42/283153642.db2.gz ARJCYQPIQUTOIN-GWCFXTLKSA-N 1 0 279.315 2.264 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452127397 283197197 /nfs/dbraw/zinc/19/71/97/283197197.db2.gz VVHLPHIWZUTIHA-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076343794 363538804 /nfs/dbraw/zinc/53/88/04/363538804.db2.gz XGYIFBUQPXNSQX-CQSZACIVSA-N 1 0 280.324 2.084 20 5 CEBDRO CCOc1cccc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000134929106 366376345 /nfs/dbraw/zinc/37/63/45/366376345.db2.gz JMUBUEVOWLKJKF-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274147241 283235124 /nfs/dbraw/zinc/23/51/24/283235124.db2.gz YGMOMENVQZYSSQ-UHFFFAOYSA-N 1 0 296.371 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415503633 236676861 /nfs/dbraw/zinc/67/68/61/236676861.db2.gz OUJVRMHOGJKAJJ-ZDUSSCGKSA-N 1 0 292.339 2.104 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699067 366534251 /nfs/dbraw/zinc/53/42/51/366534251.db2.gz IBVSITVJIMECPF-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000571186879 299298628 /nfs/dbraw/zinc/29/86/28/299298628.db2.gz KYJAAWUZPMBSGZ-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138499 366601320 /nfs/dbraw/zinc/60/13/20/366601320.db2.gz SMTABLUKZHPGIA-KGLIPLIRSA-N 1 0 294.351 2.243 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCC1 ZINC000298169683 200351484 /nfs/dbraw/zinc/35/14/84/200351484.db2.gz RKHYNTXFLVFSLB-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000341873734 216132653 /nfs/dbraw/zinc/13/26/53/216132653.db2.gz AVOLGGMNEKEFAJ-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081519469 363723543 /nfs/dbraw/zinc/72/35/43/363723543.db2.gz VWNBAZMVCOPZEW-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177466848 189053183 /nfs/dbraw/zinc/05/31/83/189053183.db2.gz VXOYAOZHSIVRNY-QWRGUYRKSA-N 1 0 297.380 2.259 20 5 CEBDRO COCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000081714583 363737532 /nfs/dbraw/zinc/73/75/32/363737532.db2.gz JEQOJLANQFDLSV-JTQLQIEISA-N 1 0 252.314 2.418 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178360499 189109701 /nfs/dbraw/zinc/10/97/01/189109701.db2.gz OGPOKJDSYSKEIA-GFCCVEGCSA-N 1 0 264.325 2.372 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342242174 216275459 /nfs/dbraw/zinc/27/54/59/216275459.db2.gz IKAXINHISUYOQM-OLZOCXBDSA-N 1 0 278.352 2.483 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180850044 189279595 /nfs/dbraw/zinc/27/95/95/189279595.db2.gz YWMJYCGISZZMRJ-YPMHNXCESA-N 1 0 264.325 2.106 20 5 CEBDRO C[NH+](C)CCN(c1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000339968283 366733037 /nfs/dbraw/zinc/73/30/37/366733037.db2.gz XFZFWNVUKINYIX-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739393 363786219 /nfs/dbraw/zinc/78/62/19/363786219.db2.gz FOPGIMMVJZCOLC-WDEREUQCSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739391 363786224 /nfs/dbraw/zinc/78/62/24/363786224.db2.gz FOPGIMMVJZCOLC-QWRGUYRKSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301621739 201099639 /nfs/dbraw/zinc/09/96/39/201099639.db2.gz FNORJVRWLXBCNA-LBPRGKRZSA-N 1 0 264.329 2.050 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000340150840 366783395 /nfs/dbraw/zinc/78/33/95/366783395.db2.gz DYJQLCXWEQMKPL-GFCCVEGCSA-N 1 0 292.364 2.188 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCCC1 ZINC000026157695 361635681 /nfs/dbraw/zinc/63/56/81/361635681.db2.gz XUYNBZKPYDTGMN-UHFFFAOYSA-N 1 0 277.324 2.328 20 5 CEBDRO Cc1nn(C)c(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000302160093 201372224 /nfs/dbraw/zinc/37/22/24/201372224.db2.gz OTMIKVASMYFKEH-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000088147750 363878447 /nfs/dbraw/zinc/87/84/47/363878447.db2.gz SNKWECKLXHGRRC-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089107578 363932283 /nfs/dbraw/zinc/93/22/83/363932283.db2.gz IBRSQJVJXIEWEX-CHWSQXEVSA-N 1 0 291.351 2.151 20 5 CEBDRO C[NH+]1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000089647584 363987660 /nfs/dbraw/zinc/98/76/60/363987660.db2.gz ICHRJYNDRCEIAY-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000237438419 370721741 /nfs/dbraw/zinc/72/17/41/370721741.db2.gz UUEDCXGVJPSSBW-NHYWBVRUSA-N 1 0 299.330 2.472 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158536601 366858952 /nfs/dbraw/zinc/85/89/52/366858952.db2.gz PXGAVPXLLBKHHP-NXEZZACHSA-N 1 0 297.380 2.212 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000112311622 364791027 /nfs/dbraw/zinc/79/10/27/364791027.db2.gz HWRMDEYBSHDZOO-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000572179101 299351062 /nfs/dbraw/zinc/35/10/62/299351062.db2.gz IHOSUASLPPRHAN-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000114725471 364962301 /nfs/dbraw/zinc/96/23/01/364962301.db2.gz GQWXOBZFGAJUCY-UHFFFAOYSA-N 1 0 279.340 2.172 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842154 365181500 /nfs/dbraw/zinc/18/15/00/365181500.db2.gz IIIYMZJLVCKZEZ-AWEZNQCLSA-N 1 0 277.368 2.368 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418199 366878868 /nfs/dbraw/zinc/87/88/68/366878868.db2.gz UCQUBAZFAHGJFV-AVGNSLFASA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@@H]1OCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572438968 299368142 /nfs/dbraw/zinc/36/81/42/299368142.db2.gz FKKQTGTUFIVVFO-IINYFYTJSA-N 1 0 289.335 2.386 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164131641 367278191 /nfs/dbraw/zinc/27/81/91/367278191.db2.gz IZTJODIPVAJKFI-STQMWFEESA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOC1 ZINC000166150549 367318056 /nfs/dbraw/zinc/31/80/56/367318056.db2.gz NSWJHFLGSKDMMY-MWLCHTKSSA-N 1 0 268.288 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171377895 367531432 /nfs/dbraw/zinc/53/14/32/367531432.db2.gz BWFBAFVDZSDMNQ-ZDUSSCGKSA-N 1 0 292.335 2.180 20 5 CEBDRO Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000343535534 367869243 /nfs/dbraw/zinc/86/92/43/367869243.db2.gz QEXGGNVYHBRMNM-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO CC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174807554 368068766 /nfs/dbraw/zinc/06/87/66/368068766.db2.gz YVKSDEBFPOGQIT-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO C[N@H+]1CC=C(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000345161604 368176118 /nfs/dbraw/zinc/17/61/18/368176118.db2.gz HXATYBDQHOAIKN-XQRVVYSFSA-N 1 0 287.363 2.460 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000176202551 368211589 /nfs/dbraw/zinc/21/15/89/368211589.db2.gz CSIASKJEKHUXKO-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000179681785 368348048 /nfs/dbraw/zinc/34/80/48/368348048.db2.gz CFJUFFDUUFMQMD-UHFFFAOYSA-N 1 0 290.298 2.209 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000181869780 368503023 /nfs/dbraw/zinc/50/30/23/368503023.db2.gz XKCVTZQOXVLBNV-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183222500 368616279 /nfs/dbraw/zinc/61/62/79/368616279.db2.gz KQJIYKKHNMXSIL-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@]2(CCOC2)C1 ZINC000185158357 368758220 /nfs/dbraw/zinc/75/82/20/368758220.db2.gz WPOPPTWWQIQRQV-IUODEOHRSA-N 1 0 292.335 2.147 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681203 368767348 /nfs/dbraw/zinc/76/73/48/368767348.db2.gz OOZIJMBPJGEXBO-WCQYABFASA-N 1 0 263.341 2.072 20 5 CEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000348322634 369003083 /nfs/dbraw/zinc/00/30/83/369003083.db2.gz NZIICFRSSHJNEF-UHFFFAOYSA-N 1 0 280.353 2.378 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000186818369 369051479 /nfs/dbraw/zinc/05/14/79/369051479.db2.gz NXNAYMCLNVTURN-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO CSC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188101821 369295994 /nfs/dbraw/zinc/29/59/94/369295994.db2.gz NKLXGPVVARSQFY-ZDUSSCGKSA-N 1 0 296.392 2.283 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188836175 369416741 /nfs/dbraw/zinc/41/67/41/369416741.db2.gz ICNRHOLIEARQQT-WCQYABFASA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000189078488 369453304 /nfs/dbraw/zinc/45/33/04/369453304.db2.gz VHUMFVOOHOCZHC-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332766 369498763 /nfs/dbraw/zinc/49/87/63/369498763.db2.gz SVFWZKMDGWBPQQ-MPCGPATOSA-N 1 0 276.336 2.357 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000189641030 369550551 /nfs/dbraw/zinc/55/05/51/369550551.db2.gz SPQXMULHSKDBTD-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO COCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189706014 369562470 /nfs/dbraw/zinc/56/24/70/369562470.db2.gz NMMAACIRVBIPSC-AWEZNQCLSA-N 1 0 294.351 2.141 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350859 369684819 /nfs/dbraw/zinc/68/48/19/369684819.db2.gz QODBNHLTYBAKQM-GFCCVEGCSA-N 1 0 286.335 2.071 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000191724017 369737409 /nfs/dbraw/zinc/73/74/09/369737409.db2.gz BBWLHDDZJZIGDY-KOLCDFICSA-N 1 0 284.743 2.308 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000352669029 369825626 /nfs/dbraw/zinc/82/56/26/369825626.db2.gz WSVGVSAENISKCP-WCQYABFASA-N 1 0 298.314 2.088 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352541352 369778796 /nfs/dbraw/zinc/77/87/96/369778796.db2.gz WXJWMUHPAVYGIL-HNNXBMFYSA-N 1 0 292.335 2.216 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)cs2)c1 ZINC000193156668 369900167 /nfs/dbraw/zinc/90/01/67/369900167.db2.gz VPPWMBMVPJWJOH-UHFFFAOYSA-N 1 0 286.744 2.296 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000193566821 369956394 /nfs/dbraw/zinc/95/63/94/369956394.db2.gz XJILUOBYMCIVNE-PELKAZGASA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352910219 369945086 /nfs/dbraw/zinc/94/50/86/369945086.db2.gz KNTHGUKYSHVYQL-CYBMUJFWSA-N 1 0 270.304 2.231 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC000353080043 370009862 /nfs/dbraw/zinc/00/98/62/370009862.db2.gz BPQYGGDQSJBZOY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000353091640 370014597 /nfs/dbraw/zinc/01/45/97/370014597.db2.gz CFSYHPYVGUDJLX-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000194217468 370015215 /nfs/dbraw/zinc/01/52/15/370015215.db2.gz QLAMCPOXXFMEPQ-LLVKDONJSA-N 1 0 282.340 2.417 20 5 CEBDRO COCC[C@H](COC)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353129843 370031022 /nfs/dbraw/zinc/03/10/22/370031022.db2.gz TZRLPKVDXBJGQE-BRLPQQTGSA-N 1 0 294.351 2.249 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194604501 370057199 /nfs/dbraw/zinc/05/71/99/370057199.db2.gz HLYXXXICUNYRMG-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059721 370216945 /nfs/dbraw/zinc/21/69/45/370216945.db2.gz VWOIIBJESNFCEP-GWCFXTLKSA-N 1 0 284.381 2.105 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000221255316 370239445 /nfs/dbraw/zinc/23/94/45/370239445.db2.gz FVCOUJXVQSPVNR-JTQLQIEISA-N 1 0 253.277 2.240 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000225820246 370321156 /nfs/dbraw/zinc/32/11/56/370321156.db2.gz MYVAOCRFCCNARL-AWEZNQCLSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374779 370369909 /nfs/dbraw/zinc/36/99/09/370369909.db2.gz CXASYQGXAZKBDH-JSGCOSHPSA-N 1 0 277.368 2.476 20 5 CEBDRO CC[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000227549895 370373654 /nfs/dbraw/zinc/37/36/54/370373654.db2.gz VDHIXVYSDUIYEL-UHFFFAOYSA-N 1 0 295.368 2.200 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031374 370393249 /nfs/dbraw/zinc/39/32/49/370393249.db2.gz JCNHYSMDRYUHOQ-GHMZBOCLSA-N 1 0 252.314 2.406 20 5 CEBDRO COc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000226345287 370337691 /nfs/dbraw/zinc/33/76/91/370337691.db2.gz ICFGHXXEEHPDQQ-FZMZJTMJSA-N 1 0 293.367 2.163 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142347 370441098 /nfs/dbraw/zinc/44/10/98/370441098.db2.gz UVMJEQCVARRWJU-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1nc(NC[C@H](C)[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000230183936 370445344 /nfs/dbraw/zinc/44/53/44/370445344.db2.gz WIEJWCOQLDFDEX-VIFPVBQESA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000230668641 370463587 /nfs/dbraw/zinc/46/35/87/370463587.db2.gz DTBXDDGKPFAHOV-JSGCOSHPSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000231030316 370473995 /nfs/dbraw/zinc/47/39/95/370473995.db2.gz NQUADENCJIVBHF-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CCn1cncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883647 370497662 /nfs/dbraw/zinc/49/76/62/370497662.db2.gz UEUCOTBODBZAPC-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000235647604 370572478 /nfs/dbraw/zinc/57/24/78/370572478.db2.gz RPWZZLRHZBFHRZ-GWCFXTLKSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000235644170 370572482 /nfs/dbraw/zinc/57/24/82/370572482.db2.gz BZUCERVLTXVKDE-RISCZKNCSA-N 1 0 280.324 2.131 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCN1CC=CCC1 ZINC000355527598 370587471 /nfs/dbraw/zinc/58/74/71/370587471.db2.gz GHLANAULZQTBPV-SOFGYWHQSA-N 1 0 287.363 2.460 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000236413208 370588615 /nfs/dbraw/zinc/58/86/15/370588615.db2.gz DLACHQGMUQUWKS-HUUCEWRRSA-N 1 0 276.336 2.294 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC[NH3+] ZINC000236796444 370630283 /nfs/dbraw/zinc/63/02/83/370630283.db2.gz WNDGHTMOIMDUHS-UHFFFAOYSA-N 1 0 279.340 2.071 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248494118 371202674 /nfs/dbraw/zinc/20/26/74/371202674.db2.gz PPAHYBISQVJMBD-CLFVBBPSSA-N 1 0 270.354 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252538438 371454913 /nfs/dbraw/zinc/45/49/13/371454913.db2.gz AODNJKHTYOVYTB-KBPBESRZSA-N 1 0 291.351 2.178 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252960584 371491565 /nfs/dbraw/zinc/49/15/65/371491565.db2.gz NKHHACYCKQRJKB-BZPMIXESSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261596962 371670747 /nfs/dbraw/zinc/67/07/47/371670747.db2.gz ZQSUOSLEMMBXGC-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353307482 220018989 /nfs/dbraw/zinc/01/89/89/220018989.db2.gz KSNVLEHMAXJECE-OAHLLOKOSA-N 1 0 275.352 2.263 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[NH2+]C1 ZINC000261679239 371699526 /nfs/dbraw/zinc/69/95/26/371699526.db2.gz GMPPJCVVKOAXKI-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000361399205 371828739 /nfs/dbraw/zinc/82/87/39/371828739.db2.gz ZGGGNQSVGHMYAA-CQSZACIVSA-N 1 0 272.308 2.238 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC=CCC1 ZINC000344077711 217039457 /nfs/dbraw/zinc/03/94/57/217039457.db2.gz WUSBDPLJWGWGLR-GFCCVEGCSA-N 1 0 264.329 2.079 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262889810 371919039 /nfs/dbraw/zinc/91/90/39/371919039.db2.gz CLWGPORJNHBLJT-UKRRQHHQSA-N 1 0 291.351 2.119 20 5 CEBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000268146655 372088744 /nfs/dbraw/zinc/08/87/44/372088744.db2.gz JKTXYUKMADSYDR-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000362560569 372426876 /nfs/dbraw/zinc/42/68/76/372426876.db2.gz INESKHRUEXNKMX-GFCCVEGCSA-N 1 0 278.356 2.380 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000344416356 217185330 /nfs/dbraw/zinc/18/53/30/217185330.db2.gz IPYKSRUAGWZVKW-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270107102 372667529 /nfs/dbraw/zinc/66/75/29/372667529.db2.gz MBXBAKZUHQXINV-GXTWGEPZSA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270859378 372985958 /nfs/dbraw/zinc/98/59/58/372985958.db2.gz HXPWGTNZKBRJPC-RISCZKNCSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000344779276 217309739 /nfs/dbraw/zinc/30/97/39/217309739.db2.gz XSUYEOFZOYSWRS-JOYOIKCWSA-N 1 0 288.294 2.132 20 5 CEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000274430552 373919698 /nfs/dbraw/zinc/91/96/98/373919698.db2.gz DXASTYBECOYWQS-CYBMUJFWSA-N 1 0 292.383 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000371900047 374000724 /nfs/dbraw/zinc/00/07/24/374000724.db2.gz UNFNENGTSQFRMJ-CYBMUJFWSA-N 1 0 286.335 2.273 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000277631595 374586574 /nfs/dbraw/zinc/58/65/74/374586574.db2.gz CFQRYXJLLXVMPV-PSASIEDQSA-N 1 0 256.327 2.171 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277991043 374699874 /nfs/dbraw/zinc/69/98/74/374699874.db2.gz UOJCGRGRJDZXAZ-MFKMUULPSA-N 1 0 250.298 2.109 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000385648276 375239026 /nfs/dbraw/zinc/23/90/26/375239026.db2.gz DRGUOFOVZRFVHG-LLVKDONJSA-N 1 0 293.371 2.016 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385762224 375241764 /nfs/dbraw/zinc/24/17/64/375241764.db2.gz XVKSEZWEVGSOQY-FZMZJTMJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000383021238 375197447 /nfs/dbraw/zinc/19/74/47/375197447.db2.gz PZSSZYIBQRVLSO-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CC[NH2+]C1 ZINC000385360922 375232429 /nfs/dbraw/zinc/23/24/29/375232429.db2.gz JPWUYBCNYYBTNW-MRVPVSSYSA-N 1 0 257.240 2.306 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000408001491 375393500 /nfs/dbraw/zinc/39/35/00/375393500.db2.gz ANDHYRMVTHUKAJ-VXGBXAGGSA-N 1 0 278.356 2.483 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282386164 375471622 /nfs/dbraw/zinc/47/16/22/375471622.db2.gz ORJKKPQPAZYFOG-DFBGVHRSSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408437189 375481373 /nfs/dbraw/zinc/48/13/73/375481373.db2.gz QKDBTCMUTJYQGZ-GHMZBOCLSA-N 1 0 266.345 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000408463381 375488256 /nfs/dbraw/zinc/48/82/56/375488256.db2.gz BPRKZWYDHWNEKJ-GWCFXTLKSA-N 1 0 294.330 2.049 20 5 CEBDRO C[N@H+](CCCCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282531723 375509867 /nfs/dbraw/zinc/50/98/67/375509867.db2.gz VDLKFEVJECUFNT-UHFFFAOYSA-N 1 0 266.341 2.232 20 5 CEBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n(C)n1 ZINC000283828896 375767686 /nfs/dbraw/zinc/76/76/86/375767686.db2.gz GQOVSZCAXUFASP-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966358 375787481 /nfs/dbraw/zinc/78/74/81/375787481.db2.gz FDIYVDFUQPGBEE-JOYOIKCWSA-N 1 0 295.295 2.018 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966361 375788594 /nfs/dbraw/zinc/78/85/94/375788594.db2.gz FDIYVDFUQPGBEE-SKDRFNHKSA-N 1 0 295.295 2.018 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414540015 375843081 /nfs/dbraw/zinc/84/30/81/375843081.db2.gz TWGUXQAWNBOWJT-NWDGAFQWSA-N 1 0 286.278 2.233 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(CN2CCCC[C@H]2CO)c(F)c1 ZINC000286133321 375852737 /nfs/dbraw/zinc/85/27/37/375852737.db2.gz WOEVNFIGAYVMPC-VIFPVBQESA-N 1 0 286.278 2.220 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414667500 375908987 /nfs/dbraw/zinc/90/89/87/375908987.db2.gz XXIQXJQLDFPLJA-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414577681 375867155 /nfs/dbraw/zinc/86/71/55/375867155.db2.gz OZEFFZJPJNPQKJ-ZYHUDNBSSA-N 1 0 282.315 2.375 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000414716610 375938890 /nfs/dbraw/zinc/93/88/90/375938890.db2.gz XFAQPZAUEQXJGM-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000286713779 376043908 /nfs/dbraw/zinc/04/39/08/376043908.db2.gz WXRMAKBYHSGCNW-RHMLRGBNSA-N 1 0 288.347 2.450 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+](C)C ZINC000286916706 376101629 /nfs/dbraw/zinc/10/16/29/376101629.db2.gz HYLCWHLZBBZVRG-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO CC(C)n1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000289726830 376464289 /nfs/dbraw/zinc/46/42/89/376464289.db2.gz MHSDRBUIZOMNNZ-UHFFFAOYSA-N 1 0 289.339 2.100 20 5 CEBDRO CCCC[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000289860352 376535190 /nfs/dbraw/zinc/53/51/90/376535190.db2.gz LDOCKPYPBPYVCN-LBPRGKRZSA-N 1 0 281.356 2.267 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420189176 376601067 /nfs/dbraw/zinc/60/10/67/376601067.db2.gz GAGUMGAQAKXXGQ-QMMMGPOBSA-N 1 0 289.282 2.464 20 5 CEBDRO C[C@@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420151907 376581793 /nfs/dbraw/zinc/58/17/93/376581793.db2.gz CPQKJGKMCSXUKI-LLVKDONJSA-N 1 0 286.335 2.228 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[C@H]1CCC[NH2+]1 ZINC000420234210 376642074 /nfs/dbraw/zinc/64/20/74/376642074.db2.gz HAJIVYAMCHKFLI-LLVKDONJSA-N 1 0 286.335 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420989684 376759189 /nfs/dbraw/zinc/75/91/89/376759189.db2.gz CSEPONCZNHCGCS-ZDUSSCGKSA-N 1 0 292.335 2.180 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000264632057 190124406 /nfs/dbraw/zinc/12/44/06/190124406.db2.gz OEQTZBMGDKZOFC-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422950621 376874691 /nfs/dbraw/zinc/87/46/91/376874691.db2.gz YOYIWWZKUUHNCM-OLZOCXBDSA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1cc(C)c(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290753104 376908914 /nfs/dbraw/zinc/90/89/14/376908914.db2.gz JASVGVWNBPDUNN-CYBMUJFWSA-N 1 0 294.351 2.046 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000562779205 376999804 /nfs/dbraw/zinc/99/98/04/376999804.db2.gz VUJSYBIVOAPFOC-NSHDSACASA-N 1 0 288.307 2.114 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000423200201 377115798 /nfs/dbraw/zinc/11/57/98/377115798.db2.gz DUKFMZRABDBGPJ-RYUDHWBXSA-N 1 0 295.408 2.417 20 5 CEBDRO Cc1c([C@@H](C)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186558 377098613 /nfs/dbraw/zinc/09/86/13/377098613.db2.gz KJHNZTPXWYTQCT-VXGBXAGGSA-N 1 0 263.341 2.306 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568204 377187924 /nfs/dbraw/zinc/18/79/24/377187924.db2.gz LQERCGQXUWHGKZ-RTXFEEFZSA-N 1 0 291.351 2.160 20 5 CEBDRO CCC(CC)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563705198 377280177 /nfs/dbraw/zinc/28/01/77/377280177.db2.gz DDAJTCGWFLDGNU-ZDUSSCGKSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N(C)C ZINC000563731913 377285444 /nfs/dbraw/zinc/28/54/44/377285444.db2.gz NZKISAUZEATWDC-GWCFXTLKSA-N 1 0 263.341 2.122 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000331154016 377305594 /nfs/dbraw/zinc/30/55/94/377305594.db2.gz IZXGOXRLXKSJNI-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000564204089 377358568 /nfs/dbraw/zinc/35/85/68/377358568.db2.gz KWSYSBADSIQKDZ-NSHDSACASA-N 1 0 292.257 2.474 20 5 CEBDRO CC[C@H](F)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331276100 377356213 /nfs/dbraw/zinc/35/62/13/377356213.db2.gz CHEFTHGESRQLBE-WDEREUQCSA-N 1 0 282.319 2.224 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564584043 377412068 /nfs/dbraw/zinc/41/20/68/377412068.db2.gz DGBNRLJJMYLLRA-NSHDSACASA-N 1 0 291.351 2.500 20 5 CEBDRO CC(C)[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000293305156 377514418 /nfs/dbraw/zinc/51/44/18/377514418.db2.gz LAHLTZYFMSFXRU-CQSZACIVSA-N 1 0 266.341 2.086 20 5 CEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]1C ZINC000293362356 377537440 /nfs/dbraw/zinc/53/74/40/377537440.db2.gz INEZMIKQTXNQTC-OUAUKWLOSA-N 1 0 277.324 2.262 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000265434589 190181770 /nfs/dbraw/zinc/18/17/70/190181770.db2.gz NWRIANGOMWCCDI-ZDUSSCGKSA-N 1 0 266.341 2.134 20 5 CEBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313127129 249385839 /nfs/dbraw/zinc/38/58/39/249385839.db2.gz ZHCOMULYNPNRGD-QWHCGFSZSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332687718 377668965 /nfs/dbraw/zinc/66/89/65/377668965.db2.gz UTKXYUVCYKQJRR-ZJUUUORDSA-N 1 0 252.318 2.091 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565724703 377691074 /nfs/dbraw/zinc/69/10/74/377691074.db2.gz QZJNYTKORCJFBF-FAQJLRJSSA-N 1 0 275.352 2.420 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1F ZINC000295260669 378075060 /nfs/dbraw/zinc/07/50/60/378075060.db2.gz RIRSMRDVWIITOE-CYBMUJFWSA-N 1 0 298.314 2.400 20 5 CEBDRO CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512062 378111799 /nfs/dbraw/zinc/11/17/99/378111799.db2.gz OHMGPOIKOPBCFT-MNOVXSKESA-N 1 0 252.318 2.275 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCCC1(C)C ZINC000450946552 378655905 /nfs/dbraw/zinc/65/59/05/378655905.db2.gz AMLRSMAWMQBOEB-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO Cc1nc(NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000450949065 378656365 /nfs/dbraw/zinc/65/63/65/378656365.db2.gz IUOQVSPRQZAHDI-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO Cc1cnc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222622 190241626 /nfs/dbraw/zinc/24/16/26/190241626.db2.gz QVABGUYHDDLUKW-NEPJUHHUSA-N 1 0 278.356 2.217 20 5 CEBDRO CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395924 378885399 /nfs/dbraw/zinc/88/53/99/378885399.db2.gz IGJOFYZKCISHBK-HIFRSBDPSA-N 1 0 291.351 2.304 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000299035423 378880188 /nfs/dbraw/zinc/88/01/88/378880188.db2.gz BBEVAZGQWAGGSE-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000299262358 378946754 /nfs/dbraw/zinc/94/67/54/378946754.db2.gz VWALNXGUPATICP-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO [NH3+]C[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347169846 218143052 /nfs/dbraw/zinc/14/30/52/218143052.db2.gz MQGBYVTZNMGHJG-VSKVDJIOSA-N 1 0 275.352 2.421 20 5 CEBDRO O=[N+]([O-])c1cnccc1NCCCCC[NH+]1CCCCC1 ZINC000347322015 218190009 /nfs/dbraw/zinc/19/00/09/218190009.db2.gz WWWMIRBZDZNFBE-UHFFFAOYSA-N 1 0 292.383 2.480 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)CC1 ZINC000347374976 218211233 /nfs/dbraw/zinc/21/12/33/218211233.db2.gz YNQNCCVSHDKYDI-XFXZXTDPSA-N 1 0 276.336 2.455 20 5 CEBDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289456514 197355628 /nfs/dbraw/zinc/35/56/28/197355628.db2.gz CBXIHZOJUBIJRW-OLZOCXBDSA-N 1 0 277.324 2.167 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000347460798 218243974 /nfs/dbraw/zinc/24/39/74/218243974.db2.gz VQBQCIBJVYXJHK-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC000299919518 379145438 /nfs/dbraw/zinc/14/54/38/379145438.db2.gz JEONXLNVFGCCSU-IINYFYTJSA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000514798371 379150478 /nfs/dbraw/zinc/15/04/78/379150478.db2.gz NXMQZFQLWVLUEW-QWRGUYRKSA-N 1 0 297.330 2.028 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670569 379235969 /nfs/dbraw/zinc/23/59/69/379235969.db2.gz PWPSHXKPQKEVES-RISCZKNCSA-N 1 0 286.335 2.457 20 5 CEBDRO Cc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301307079 379252264 /nfs/dbraw/zinc/25/22/64/379252264.db2.gz YZANBEVITFHLOB-GFCCVEGCSA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301623360 379292720 /nfs/dbraw/zinc/29/27/20/379292720.db2.gz GFLBFGPSHBYPIO-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745094 190278367 /nfs/dbraw/zinc/27/83/67/190278367.db2.gz AMFOLEHGKKAAPQ-YPMHNXCESA-N 1 0 291.351 2.255 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(CC[NH2+]2)CC1 ZINC000520564966 379485219 /nfs/dbraw/zinc/48/52/19/379485219.db2.gz UVZMWWSDSRCMQH-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)O ZINC000267183763 190309353 /nfs/dbraw/zinc/30/93/53/190309353.db2.gz ZYQMHQWAPWXHAU-JTQLQIEISA-N 1 0 252.314 2.359 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000305154225 379664521 /nfs/dbraw/zinc/66/45/21/379664521.db2.gz BLFFWFGDRSLQCE-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000305197200 379681538 /nfs/dbraw/zinc/68/15/38/379681538.db2.gz UJRCQZXHXQLVJN-JTQLQIEISA-N 1 0 270.354 2.392 20 5 CEBDRO C[N@H+](CCCCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000457211398 379714887 /nfs/dbraw/zinc/71/48/87/379714887.db2.gz WFAHDRSLIUXMAV-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000267318206 190320817 /nfs/dbraw/zinc/32/08/17/190320817.db2.gz YJYUEMXSIHZWMB-WDEREUQCSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034061 190371482 /nfs/dbraw/zinc/37/14/82/190371482.db2.gz LVOQOUPLPRDJQT-MNOVXSKESA-N 1 0 277.324 2.312 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000458198711 380039457 /nfs/dbraw/zinc/03/94/57/380039457.db2.gz UFVZHSXPMYKSAO-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)C1 ZINC000488739486 380126271 /nfs/dbraw/zinc/12/62/71/380126271.db2.gz WMVOUIBVZOXTNQ-YRGRVCCFSA-N 1 0 290.367 2.156 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000488759971 380133330 /nfs/dbraw/zinc/13/33/30/380133330.db2.gz DLPFQURSSBEZAW-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489468708 380194024 /nfs/dbraw/zinc/19/40/24/380194024.db2.gz YLKLAXCNDCUKSY-OCCSQVGLSA-N 1 0 294.351 2.065 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000492646872 380639705 /nfs/dbraw/zinc/63/97/05/380639705.db2.gz CICCSHAHTVXPLQ-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1cccc(C(=O)N2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000555543933 380832132 /nfs/dbraw/zinc/83/21/32/380832132.db2.gz IQTFVRIXSKDOOU-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279284594 194368005 /nfs/dbraw/zinc/36/80/05/194368005.db2.gz OUJAWKRQCIWKJB-JHJVBQTASA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279304430 194375844 /nfs/dbraw/zinc/37/58/44/194375844.db2.gz QRNFFXISAAFLQY-ZLDLUXBVSA-N 1 0 294.351 2.113 20 5 CEBDRO CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289485641 197370751 /nfs/dbraw/zinc/37/07/51/197370751.db2.gz QZJQBANDWREYPT-UHFFFAOYSA-N 1 0 265.357 2.368 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000301981932 285170260 /nfs/dbraw/zinc/17/02/60/285170260.db2.gz BDSAHNPWHCDTKE-JTQLQIEISA-N 1 0 265.338 2.107 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412089611 533219117 /nfs/dbraw/zinc/21/91/17/533219117.db2.gz TULQPDAVYFMSQK-NWDGAFQWSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093983203 184747765 /nfs/dbraw/zinc/74/77/65/184747765.db2.gz RBRKXIOHSOEUJJ-CHWSQXEVSA-N 1 0 291.351 2.116 20 5 CEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281589591 195299419 /nfs/dbraw/zinc/29/94/19/195299419.db2.gz CDJCALYSITWESF-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414486699 533303157 /nfs/dbraw/zinc/30/31/57/533303157.db2.gz UBTSTSROFJFHEM-NSHDSACASA-N 1 0 252.314 2.357 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000189787196 130022645 /nfs/dbraw/zinc/02/26/45/130022645.db2.gz FUARYOMJUBGPNS-KBPBESRZSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000192083327 130367567 /nfs/dbraw/zinc/36/75/67/130367567.db2.gz FKJVMJWMQYBGGM-AXFHLTTASA-N 1 0 279.340 2.064 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@@H](C)[NH3+] ZINC000193215495 130598672 /nfs/dbraw/zinc/59/86/72/130598672.db2.gz RKSYJDPHPHJWTD-GFCCVEGCSA-N 1 0 293.367 2.459 20 5 CEBDRO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237148038 131008309 /nfs/dbraw/zinc/00/83/09/131008309.db2.gz HJZPQAIQETXITQ-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO Cc1c(NC(=O)CC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000261789346 131168583 /nfs/dbraw/zinc/16/85/83/131168583.db2.gz QHFVEYBXKWVYFC-LLVKDONJSA-N 1 0 277.324 2.374 20 5 CEBDRO CO[C@H](C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000263802051 131334414 /nfs/dbraw/zinc/33/44/14/131334414.db2.gz KGAWLLSFRVDXFI-LLVKDONJSA-N 1 0 252.314 2.418 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1 ZINC000355434222 394452422 /nfs/dbraw/zinc/45/24/22/394452422.db2.gz BGKGWANGXKTTJB-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421092507 394484033 /nfs/dbraw/zinc/48/40/33/394484033.db2.gz HOHMFCQXZNRQNZ-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421372618 394514882 /nfs/dbraw/zinc/51/48/82/394514882.db2.gz LBVQPWKZKWDEKD-LJXYTEIVSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000413158068 394495155 /nfs/dbraw/zinc/49/51/55/394495155.db2.gz VHDZZOUMOARSDI-GHMZBOCLSA-N 1 0 296.346 2.438 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000305205165 394500537 /nfs/dbraw/zinc/50/05/37/394500537.db2.gz XQNPJWBFJUMYJP-OCCSQVGLSA-N 1 0 278.352 2.230 20 5 CEBDRO C[NH+](C)C1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000421686414 394566606 /nfs/dbraw/zinc/56/66/06/394566606.db2.gz AXMWGGLNXXNHKY-UHFFFAOYSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000421704503 394569985 /nfs/dbraw/zinc/56/99/85/394569985.db2.gz OSZNYOGXJDUBBD-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000421704504 394570176 /nfs/dbraw/zinc/57/01/76/394570176.db2.gz OSZNYOGXJDUBBD-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)C ZINC000049442543 394547586 /nfs/dbraw/zinc/54/75/86/394547586.db2.gz AIYAKSKLTDPWRU-UHFFFAOYSA-N 1 0 279.340 2.430 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049558653 394549402 /nfs/dbraw/zinc/54/94/02/394549402.db2.gz YZYPZKRHIUSYLH-VIFPVBQESA-N 1 0 282.300 2.255 20 5 CEBDRO Cc1c[nH+]ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112496764 394744638 /nfs/dbraw/zinc/74/46/38/394744638.db2.gz KJPXNJVMOSITCR-UHFFFAOYSA-N 1 0 293.304 2.099 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000414088686 394699545 /nfs/dbraw/zinc/69/95/45/394699545.db2.gz JKWXJOSRNWLTEN-NWDGAFQWSA-N 1 0 266.345 2.206 20 5 CEBDRO [NH3+]C[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000415062692 394870821 /nfs/dbraw/zinc/87/08/21/394870821.db2.gz FTJZLQPOGAMZON-CQSZACIVSA-N 1 0 263.341 2.202 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000282044372 394901772 /nfs/dbraw/zinc/90/17/72/394901772.db2.gz UYGZOFUWUZCJKX-JTQLQIEISA-N 1 0 297.380 2.166 20 5 CEBDRO C[NH2+]CCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415139007 394902743 /nfs/dbraw/zinc/90/27/43/394902743.db2.gz WGTNAMOFTBGDAN-VMPITWQZSA-N 1 0 263.341 2.149 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131329803 394907591 /nfs/dbraw/zinc/90/75/91/394907591.db2.gz HYWLWBBXZVYSGF-GXFFZTMASA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000415416591 394930090 /nfs/dbraw/zinc/93/00/90/394930090.db2.gz KTOPCOCRQJMHLV-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415476971 394935982 /nfs/dbraw/zinc/93/59/82/394935982.db2.gz ADCZJNYLXHRXFZ-LLVKDONJSA-N 1 0 294.355 2.331 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000415486909 394936744 /nfs/dbraw/zinc/93/67/44/394936744.db2.gz SLDAJPBQQNNQQE-NSHDSACASA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415507676 394938887 /nfs/dbraw/zinc/93/88/87/394938887.db2.gz TUXFFGKZLXZULO-SNVBAGLBSA-N 1 0 280.328 2.152 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423536539 394947708 /nfs/dbraw/zinc/94/77/08/394947708.db2.gz ZOHJJMPHXKIPGI-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000286204353 395016130 /nfs/dbraw/zinc/01/61/30/395016130.db2.gz BYWUUCIVJAZFOW-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286425957 395022505 /nfs/dbraw/zinc/02/25/05/395022505.db2.gz NGRWIKVVSJNYGV-JSGCOSHPSA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373566040 395062795 /nfs/dbraw/zinc/06/27/95/395062795.db2.gz GUTHGQJNZTYWOO-NSHDSACASA-N 1 0 252.318 2.084 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343424473 395039326 /nfs/dbraw/zinc/03/93/26/395039326.db2.gz DOYGAIRPAGCIBI-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO CC(C)OCC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000349240012 395162795 /nfs/dbraw/zinc/16/27/95/395162795.db2.gz GVKBHCNDQMDNFQ-CQSZACIVSA-N 1 0 296.367 2.203 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000291804097 395164371 /nfs/dbraw/zinc/16/43/71/395164371.db2.gz XOHXVQKZQMABPQ-UHFFFAOYSA-N 1 0 294.351 2.128 20 5 CEBDRO C[NH+](C)C1(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000397907878 395229690 /nfs/dbraw/zinc/22/96/90/395229690.db2.gz XKQVDVICGPUEDV-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO CC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000433145206 395202646 /nfs/dbraw/zinc/20/26/46/395202646.db2.gz FXYKWPWUECAEIG-KGLIPLIRSA-N 1 0 293.367 2.393 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000408168914 395293052 /nfs/dbraw/zinc/29/30/52/395293052.db2.gz JXHTZPNUXUOQQS-WCQYABFASA-N 1 0 292.383 2.383 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000295961605 395304913 /nfs/dbraw/zinc/30/49/13/395304913.db2.gz JNEGEEODTQTIDM-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000522058861 395258088 /nfs/dbraw/zinc/25/80/88/395258088.db2.gz KWPRTJKHNJBRJG-AAEUAGOBSA-N 1 0 250.298 2.170 20 5 CEBDRO CC(C)C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355346405 395417366 /nfs/dbraw/zinc/41/73/66/395417366.db2.gz ULXXSBUPFXPYBM-LLVKDONJSA-N 1 0 266.345 2.196 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000448058394 395509572 /nfs/dbraw/zinc/50/95/72/395509572.db2.gz NCZPDRUSJZGYIH-GFCCVEGCSA-N 1 0 295.387 2.108 20 5 CEBDRO CC[N@H+](CCNC(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000446046591 395479717 /nfs/dbraw/zinc/47/97/17/395479717.db2.gz LXMAMRAZQZZCIG-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000572831324 395589003 /nfs/dbraw/zinc/58/90/03/395589003.db2.gz PCDUKKIFHPJQAH-ZDUSSCGKSA-N 1 0 276.336 2.474 20 5 CEBDRO Cc1ccnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000575029025 395644090 /nfs/dbraw/zinc/64/40/90/395644090.db2.gz CTDGWSMASXCPQK-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000360253791 155253583 /nfs/dbraw/zinc/25/35/83/155253583.db2.gz KKECNJRSTWBFBZ-CQSZACIVSA-N 1 0 298.346 2.340 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[NH+](CC)CC ZINC000192493034 153206717 /nfs/dbraw/zinc/20/67/17/153206717.db2.gz GNFXQPKSUXNIGW-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000194756483 153264700 /nfs/dbraw/zinc/26/47/00/153264700.db2.gz PGRIPPJZZDIUEE-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000195338548 153287133 /nfs/dbraw/zinc/28/71/33/153287133.db2.gz IBTPVHDYBQUMDA-UHFFFAOYSA-N 1 0 295.387 2.408 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CC[NH+](C)CC1 ZINC000226356782 153335386 /nfs/dbraw/zinc/33/53/86/153335386.db2.gz UXYWCQARFWEODF-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830894 153351723 /nfs/dbraw/zinc/35/17/23/153351723.db2.gz BKKKKRGXGZATOD-QWHCGFSZSA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044400 153355498 /nfs/dbraw/zinc/35/54/98/153355498.db2.gz XXCPAJRPVHIWDV-MNOVXSKESA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376167 153394809 /nfs/dbraw/zinc/39/48/09/153394809.db2.gz YXBIMEDKWQTIAE-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000236413280 153442040 /nfs/dbraw/zinc/44/20/40/153442040.db2.gz DLACHQGMUQUWKS-GJZGRUSLSA-N 1 0 276.336 2.294 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000295040223 292286921 /nfs/dbraw/zinc/28/69/21/292286921.db2.gz WZUZYTPMAUQGPV-LLVKDONJSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C)CC1 ZINC000182634769 292295864 /nfs/dbraw/zinc/29/58/64/292295864.db2.gz ZPQWDQSBIUCAIL-LBPRGKRZSA-N 1 0 263.341 2.212 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352661879 154326792 /nfs/dbraw/zinc/32/67/92/154326792.db2.gz ZJHCDPTWEYZSOE-KBPBESRZSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000367453515 156188786 /nfs/dbraw/zinc/18/87/86/156188786.db2.gz ZOCOFMLKLYWSHI-AWEZNQCLSA-N 1 0 262.309 2.350 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000367838122 156246200 /nfs/dbraw/zinc/24/62/00/156246200.db2.gz AOOOXSICDIRIIK-FICVDOATSA-N 1 0 290.363 2.388 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000375017930 157037928 /nfs/dbraw/zinc/03/79/28/157037928.db2.gz ICNMTZISKPSICQ-BBRMVZONSA-N 1 0 289.379 2.429 20 5 CEBDRO CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270418495 286708660 /nfs/dbraw/zinc/70/86/60/286708660.db2.gz ZJFCSSBOGCMXQK-CHWSQXEVSA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000135469011 287052037 /nfs/dbraw/zinc/05/20/37/287052037.db2.gz FHIINLMUKPDNPJ-MXWKQRLJSA-N 1 0 252.314 2.262 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173982816 165090342 /nfs/dbraw/zinc/09/03/42/165090342.db2.gz WHEGFGCEXXLKIQ-LLVKDONJSA-N 1 0 277.324 2.408 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000174699710 165115195 /nfs/dbraw/zinc/11/51/95/165115195.db2.gz BNHJIXBSOSDRBW-GFCCVEGCSA-N 1 0 283.397 2.428 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174818842 165120275 /nfs/dbraw/zinc/12/02/75/165120275.db2.gz IRGAJLJUZLBYBU-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO CCCCCN(CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000183035585 165383580 /nfs/dbraw/zinc/38/35/80/165383580.db2.gz QHDAYNVDTVLAOZ-UHFFFAOYSA-N 1 0 279.340 2.072 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@H]1O ZINC000563898899 298808288 /nfs/dbraw/zinc/80/82/88/298808288.db2.gz SRVKNTNYCCSOMR-YRGRVCCFSA-N 1 0 262.309 2.085 20 5 CEBDRO CC[NH+](CC)CCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021044655 171294236 /nfs/dbraw/zinc/29/42/36/171294236.db2.gz JYDHJFFKZJZMGZ-UHFFFAOYSA-N 1 0 295.383 2.425 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000285284632 196240727 /nfs/dbraw/zinc/24/07/27/196240727.db2.gz RKDBSOVWQOZGDG-SECBINFHSA-N 1 0 289.339 2.070 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735715 172388585 /nfs/dbraw/zinc/38/85/85/172388585.db2.gz YJXXPKQJTUYEIV-GWCFXTLKSA-N 1 0 280.324 2.261 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000040623492 174355638 /nfs/dbraw/zinc/35/56/38/174355638.db2.gz NCKHNYSDDMAGCM-NSHDSACASA-N 1 0 283.397 2.476 20 5 CEBDRO C[C@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669977 174368255 /nfs/dbraw/zinc/36/82/55/174368255.db2.gz MTGXVJRNCDJWGM-SMDDNHRTSA-N 1 0 293.371 2.307 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690807 174376801 /nfs/dbraw/zinc/37/68/01/174376801.db2.gz JSDQBFWCTXXSAI-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000041158972 174501401 /nfs/dbraw/zinc/50/14/01/174501401.db2.gz ZGVMTYSSBRERNC-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044537726 175200158 /nfs/dbraw/zinc/20/01/58/175200158.db2.gz SDDPWQHBIWDKIT-JTQLQIEISA-N 1 0 267.304 2.488 20 5 CEBDRO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000071314014 176120619 /nfs/dbraw/zinc/12/06/19/176120619.db2.gz JJEKFTAOWLPFSA-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071314081 176120695 /nfs/dbraw/zinc/12/06/95/176120695.db2.gz LTGCZIGSZQNZRH-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000072013498 176308883 /nfs/dbraw/zinc/30/88/83/176308883.db2.gz OQXHMMKIJKBQPM-LLVKDONJSA-N 1 0 295.339 2.040 20 5 CEBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000073000352 176448007 /nfs/dbraw/zinc/44/80/07/176448007.db2.gz HAFWAHSGAAWIGS-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000182736095 287378655 /nfs/dbraw/zinc/37/86/55/287378655.db2.gz APUSMXHREMPBQZ-VXGBXAGGSA-N 1 0 293.367 2.171 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567220521 299042919 /nfs/dbraw/zinc/04/29/19/299042919.db2.gz JLJLUKZPEMRORW-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCC1 ZINC000449138748 260244434 /nfs/dbraw/zinc/24/44/34/260244434.db2.gz CZCBFPVIVRZPFB-LBPRGKRZSA-N 1 0 278.352 2.421 20 5 CEBDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103175735 261276185 /nfs/dbraw/zinc/27/61/85/261276185.db2.gz CIYKUMSIBNMPBF-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000525748672 262095764 /nfs/dbraw/zinc/09/57/64/262095764.db2.gz WBOISEJBGPLKJS-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425357918 264069107 /nfs/dbraw/zinc/06/91/07/264069107.db2.gz PQAXIFRUHYZKTQ-SWLSCSKDSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425358698 264070197 /nfs/dbraw/zinc/07/01/97/264070197.db2.gz RCCMEWCAEGUCGL-MASHWEEQSA-N 1 0 299.334 2.216 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425354524 264072301 /nfs/dbraw/zinc/07/23/01/264072301.db2.gz KNVTVNBMRKXSKI-SWLSCSKDSA-N 1 0 293.342 2.260 20 5 CEBDRO C[NH2+]CCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520412426 265807724 /nfs/dbraw/zinc/80/77/24/265807724.db2.gz YYERNEMCYRNKNE-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000514661251 266032004 /nfs/dbraw/zinc/03/20/04/266032004.db2.gz WKZOFXGOFZMRSR-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000150275482 270236471 /nfs/dbraw/zinc/23/64/71/270236471.db2.gz AGLXJGNSXJMKRR-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000183651350 270240461 /nfs/dbraw/zinc/24/04/61/270240461.db2.gz DTDUIEROYRSJBF-LBPRGKRZSA-N 1 0 299.758 2.108 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323026 270334355 /nfs/dbraw/zinc/33/43/55/270334355.db2.gz LCYXZPUDLKTPLY-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000393628771 270343211 /nfs/dbraw/zinc/34/32/11/270343211.db2.gz ZNZJYVJWYPLCCA-UHFFFAOYSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000395267847 270346014 /nfs/dbraw/zinc/34/60/14/270346014.db2.gz JWDXESNHXOVMOJ-BREBYQMCSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397456449 270354515 /nfs/dbraw/zinc/35/45/15/270354515.db2.gz OIMKELZRTKXHKS-SCVCMEIPSA-N 1 0 283.397 2.462 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCOCC2)c(F)c1 ZINC000397763935 270354802 /nfs/dbraw/zinc/35/48/02/270354802.db2.gz LUNPSFATOBZFAQ-UHFFFAOYSA-N 1 0 266.272 2.170 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642030 270360003 /nfs/dbraw/zinc/36/00/03/270360003.db2.gz XQFTYMOTDVDVQM-VXGBXAGGSA-N 1 0 264.325 2.045 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000420220963 270485131 /nfs/dbraw/zinc/48/51/31/270485131.db2.gz ZMGVWPQRMGDQIZ-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420245448 270493237 /nfs/dbraw/zinc/49/32/37/270493237.db2.gz LRCJJTOWRBBSBF-LLVKDONJSA-N 1 0 286.335 2.379 20 5 CEBDRO C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341743 270521494 /nfs/dbraw/zinc/52/14/94/270521494.db2.gz QDIZRXZWBNEYNB-TZMCWYRMSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270458 270885496 /nfs/dbraw/zinc/88/54/96/270885496.db2.gz WTZROEROJMLDLQ-GWCFXTLKSA-N 1 0 251.330 2.229 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000430212754 271362918 /nfs/dbraw/zinc/36/29/18/271362918.db2.gz PRQLNFAHCPLMHW-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO Cc1c(CN[C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430598768 271398047 /nfs/dbraw/zinc/39/80/47/271398047.db2.gz PBHFLXNIVJVAOG-CQSZACIVSA-N 1 0 265.357 2.366 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C[NH3+] ZINC000430923690 271413719 /nfs/dbraw/zinc/41/37/19/271413719.db2.gz GADGUNWDFGHFPK-NSHDSACASA-N 1 0 281.356 2.161 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111829527 273519202 /nfs/dbraw/zinc/51/92/02/273519202.db2.gz APLFEMYGWYKSQV-SNVBAGLBSA-N 1 0 299.758 2.351 20 5 CEBDRO COCC(C)(C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000292121300 274016667 /nfs/dbraw/zinc/01/66/67/274016667.db2.gz KEXVVLFWNKSEDO-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672632 275040446 /nfs/dbraw/zinc/04/04/46/275040446.db2.gz BQOTWVYMBDJZOC-QWRGUYRKSA-N 1 0 262.313 2.029 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000347243261 276104038 /nfs/dbraw/zinc/10/40/38/276104038.db2.gz UWBFBDNJVJHVFG-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000347248660 276104404 /nfs/dbraw/zinc/10/44/04/276104404.db2.gz MJNVHERJUVKZNR-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cccc(C)c1[N+](=O)[O-])C1CC1 ZINC000101958683 276130351 /nfs/dbraw/zinc/13/03/51/276130351.db2.gz WLTUEJFMSZQSMN-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149417605 277265401 /nfs/dbraw/zinc/26/54/01/277265401.db2.gz YIRJNYAAHSIYRW-UHFFFAOYSA-N 1 0 284.747 2.079 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000293056826 278526040 /nfs/dbraw/zinc/52/60/40/278526040.db2.gz RZQXVOCDUXKTPP-RISCZKNCSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332651793 279026518 /nfs/dbraw/zinc/02/65/18/279026518.db2.gz CYELWDIYXMGUCY-NSHDSACASA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000130198040 279931526 /nfs/dbraw/zinc/93/15/26/279931526.db2.gz FBEJQAQULCGGAJ-VXGBXAGGSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000134079748 280012593 /nfs/dbraw/zinc/01/25/93/280012593.db2.gz VUFZACHNNXAUFE-FZMZJTMJSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070176768 280206208 /nfs/dbraw/zinc/20/62/08/280206208.db2.gz XOWOQESWINCNGV-IINYFYTJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000223164374 280212663 /nfs/dbraw/zinc/21/26/63/280212663.db2.gz IWUNNSMBIJNPNI-VXGBXAGGSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000070176373 280325680 /nfs/dbraw/zinc/32/56/80/280325680.db2.gz PTACHKGCMURKLM-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000267076436 280661959 /nfs/dbraw/zinc/66/19/59/280661959.db2.gz RPOHRDLEOYLYJY-AWEZNQCLSA-N 1 0 273.336 2.354 20 5 CEBDRO CCOc1cccc(NCC2([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000397962779 280688603 /nfs/dbraw/zinc/68/86/03/280688603.db2.gz FAFBLQYQUQGKRW-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000121020215 281012171 /nfs/dbraw/zinc/01/21/71/281012171.db2.gz YFSQIJCXAWCSCP-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423470365 281050801 /nfs/dbraw/zinc/05/08/01/281050801.db2.gz PGNQLLWYBVOOIR-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423726267 281083697 /nfs/dbraw/zinc/08/36/97/281083697.db2.gz POXHMWQCFDPOBE-GHMZBOCLSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+](C2CCC2)C2CCC2)n1 ZINC000429119053 281224560 /nfs/dbraw/zinc/22/45/60/281224560.db2.gz ZBPYSGBETJVKKG-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000155875806 289184732 /nfs/dbraw/zinc/18/47/32/289184732.db2.gz AGACOORLHLROCF-AWEZNQCLSA-N 1 0 279.340 2.088 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000269607981 289192657 /nfs/dbraw/zinc/19/26/57/289192657.db2.gz CZJGVFKYTOLYLG-VIFPVBQESA-N 1 0 285.294 2.403 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000157666506 289218747 /nfs/dbraw/zinc/21/87/47/289218747.db2.gz GOPAPESMONBVLB-LBPRGKRZSA-N 1 0 264.325 2.285 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459784316 290238777 /nfs/dbraw/zinc/23/87/77/290238777.db2.gz XFKMLEVXWNJPMC-YPMHNXCESA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459802763 290245552 /nfs/dbraw/zinc/24/55/52/290245552.db2.gz YXGMTWCJDZGMRK-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+]1C ZINC000487101416 290331340 /nfs/dbraw/zinc/33/13/40/290331340.db2.gz PRMNCYQLJUSCQP-GFCCVEGCSA-N 1 0 296.346 2.093 20 5 CEBDRO CC(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487995597 290372539 /nfs/dbraw/zinc/37/25/39/290372539.db2.gz AYIYGOKFUSSVMT-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCn2cncc2C1 ZINC000488002794 290373740 /nfs/dbraw/zinc/37/37/40/290373740.db2.gz ZZJVQEBUTIIVMM-UHFFFAOYSA-N 1 0 295.302 2.360 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491827891 290532698 /nfs/dbraw/zinc/53/26/98/290532698.db2.gz KYURITZPVOPLMP-PWWFUAJNSA-N 1 0 291.351 2.064 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)OC ZINC000531575682 298111374 /nfs/dbraw/zinc/11/13/74/298111374.db2.gz ZYFYVMQQLILWCJ-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1(O)CCCC1)C2 ZINC000535247885 298184637 /nfs/dbraw/zinc/18/46/37/298184637.db2.gz TUHSMSKUJDQVPU-UHFFFAOYSA-N 1 0 276.336 2.258 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536873837 298206909 /nfs/dbraw/zinc/20/69/09/298206909.db2.gz BFWPWRWHIZNJQF-GFCCVEGCSA-N 1 0 293.367 2.032 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000542525339 298292436 /nfs/dbraw/zinc/29/24/36/298292436.db2.gz HHGHHLJLFRBLFV-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(C)noc1C ZINC000182408015 312818346 /nfs/dbraw/zinc/81/83/46/312818346.db2.gz BQVYUDHPXKBMEH-LLVKDONJSA-N 1 0 293.327 2.137 20 5 CEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000571293230 314082973 /nfs/dbraw/zinc/08/29/73/314082973.db2.gz LVVSGLUOHHOIPM-QWRGUYRKSA-N 1 0 294.330 2.192 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[NH+](C)C ZINC000573104293 314140928 /nfs/dbraw/zinc/14/09/28/314140928.db2.gz NONCMORLSNPCAT-NSHDSACASA-N 1 0 281.356 2.033 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478768 314280682 /nfs/dbraw/zinc/28/06/82/314280682.db2.gz BFNSOVKDHHJDPG-XXMQVSLVSA-N 1 0 276.336 2.499 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478767 314281047 /nfs/dbraw/zinc/28/10/47/314281047.db2.gz BFNSOVKDHHJDPG-USXUBVMZSA-N 1 0 276.336 2.499 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579454264 314587528 /nfs/dbraw/zinc/58/75/28/314587528.db2.gz GOLABOOGERQSJI-OLZOCXBDSA-N 1 0 298.346 2.331 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000382425280 321839489 /nfs/dbraw/zinc/83/94/89/321839489.db2.gz MEUCPLMIZYUORT-NWDGAFQWSA-N 1 0 286.335 2.247 20 5 CEBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385449011 321860234 /nfs/dbraw/zinc/86/02/34/321860234.db2.gz IXPXIWRGOYORPU-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000580782062 322344429 /nfs/dbraw/zinc/34/44/29/322344429.db2.gz SDOVGRLXBZICCY-YPMHNXCESA-N 1 0 263.341 2.215 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1ccnc1 ZINC000582132113 322450087 /nfs/dbraw/zinc/45/00/87/322450087.db2.gz BAAOAALUVUDBGH-ZDUSSCGKSA-N 1 0 272.308 2.068 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736128 322499575 /nfs/dbraw/zinc/49/95/75/322499575.db2.gz UDSSGCRHVPFBJD-GBIKHYSHSA-N 1 0 264.325 2.331 20 5 CEBDRO CC1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000583689019 322562034 /nfs/dbraw/zinc/56/20/34/322562034.db2.gz PLBZLZYSQOYLPQ-GFCCVEGCSA-N 1 0 294.351 2.114 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000150284488 521188983 /nfs/dbraw/zinc/18/89/83/521188983.db2.gz IJCMHGHJLFDFEE-LLVKDONJSA-N 1 0 280.328 2.234 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000150280870 521189784 /nfs/dbraw/zinc/18/97/84/521189784.db2.gz CJMYZZAJRIHLDB-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316234 533759682 /nfs/dbraw/zinc/75/96/82/533759682.db2.gz UCNDRQGULFUBOM-QMTHXVAHSA-N 1 0 291.351 2.216 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C2(C)C)cccc1[N+](=O)[O-] ZINC000414695617 533915526 /nfs/dbraw/zinc/91/55/26/533915526.db2.gz GTMYEKFQAQTHDL-LBPRGKRZSA-N 1 0 292.339 2.165 20 5 CEBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000069535041 518383200 /nfs/dbraw/zinc/38/32/00/518383200.db2.gz VCHXDRGTWZDULK-NSHDSACASA-N 1 0 277.324 2.161 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049400751 519611712 /nfs/dbraw/zinc/61/17/12/519611712.db2.gz LRSIXDRWJYOFTA-LLVKDONJSA-N 1 0 279.340 2.112 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000150280685 521047192 /nfs/dbraw/zinc/04/71/92/521047192.db2.gz CJMYZZAJRIHLDB-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO CCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378531 521512814 /nfs/dbraw/zinc/51/28/14/521512814.db2.gz SGYPOWXFAYGASY-CYBMUJFWSA-N 1 0 277.324 2.042 20 5 CEBDRO COCC[N@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061379760 523613916 /nfs/dbraw/zinc/61/39/16/523613916.db2.gz CPWGCCIJIAUPAJ-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367697176 524251442 /nfs/dbraw/zinc/25/14/42/524251442.db2.gz BANUQBVXMKOHFT-NGFQHRJXSA-N 1 0 290.363 2.398 20 5 CEBDRO C[C@H]1COCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363478130 524708433 /nfs/dbraw/zinc/70/84/33/524708433.db2.gz HIXNFKVNZJNJNG-LLVKDONJSA-N 1 0 250.298 2.063 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815930 525730281 /nfs/dbraw/zinc/73/02/81/525730281.db2.gz ZDNVLSCVHSIXAF-STQMWFEESA-N 1 0 291.351 2.037 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(N)=O)CC1 ZINC000052941464 526078198 /nfs/dbraw/zinc/07/81/98/526078198.db2.gz GUDJQMDSBOZQMV-NSHDSACASA-N 1 0 291.351 2.243 20 5 CEBDRO [NH3+]C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444846 527238132 /nfs/dbraw/zinc/23/81/32/527238132.db2.gz OONCFIDPJBVATM-SECBINFHSA-N 1 0 269.732 2.029 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c1 ZINC000052926291 527386166 /nfs/dbraw/zinc/38/61/66/527386166.db2.gz ZYNIYWVUFOWANS-KBPBESRZSA-N 1 0 264.325 2.378 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000357775864 527982232 /nfs/dbraw/zinc/98/22/32/527982232.db2.gz RKSWTPHUFONHEJ-LLVKDONJSA-N 1 0 280.372 2.252 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000315094383 535011680 /nfs/dbraw/zinc/01/16/80/535011680.db2.gz OVODVAWHIKVKIK-FPLPWBNLSA-N 1 0 291.351 2.242 20 5 CEBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000733330340 574665041 /nfs/dbraw/zinc/66/50/41/574665041.db2.gz ULIDVCPFAQAEKW-SNVBAGLBSA-N 1 0 278.230 2.262 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CC2)ccc1Cl ZINC000734164851 574704260 /nfs/dbraw/zinc/70/42/60/574704260.db2.gz QDDBAEUNJJSETB-LLVKDONJSA-N 1 0 270.716 2.109 20 5 CEBDRO CCN(CCc1cccs1)Cn1nccc1[N+](=O)[O-] ZINC000746070412 575147599 /nfs/dbraw/zinc/14/75/99/575147599.db2.gz MKZVAELSKOXSSJ-UHFFFAOYSA-N 1 0 280.353 2.375 20 5 CEBDRO Cc1nn(C[N@@H+](C(C)C)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749942018 575240644 /nfs/dbraw/zinc/24/06/44/575240644.db2.gz SHQNWZUQZZPZCA-UHFFFAOYSA-N 1 0 289.339 2.478 20 5 CEBDRO Cc1nn(C[N@@H+](C)CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749943446 575240748 /nfs/dbraw/zinc/24/07/48/575240748.db2.gz GGZJKRYXDWCONU-UHFFFAOYSA-N 1 0 277.328 2.193 20 5 CEBDRO Cc1nn(C[N@@H+](C)C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939009 575240933 /nfs/dbraw/zinc/24/09/33/575240933.db2.gz UMBDCQSCNHUKMH-UHFFFAOYSA-N 1 0 289.339 2.480 20 5 CEBDRO C[C@@H]1C[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000751928591 575301486 /nfs/dbraw/zinc/30/14/86/575301486.db2.gz NFJBDQUMLKNSLI-GHMZBOCLSA-N 1 0 274.324 2.490 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000308678166 623959744 /nfs/dbraw/zinc/95/97/44/623959744.db2.gz SVZVVFSVXDMXMJ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COC(=O)[C@]1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000177478061 625735767 /nfs/dbraw/zinc/73/57/67/625735767.db2.gz JWZNMCZJBSXDOZ-CQSZACIVSA-N 1 0 296.298 2.119 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000820596136 634466806 /nfs/dbraw/zinc/46/68/06/634466806.db2.gz QKPNAUTWHWKLBD-KOLCDFICSA-N 1 0 294.311 2.032 20 5 CEBDRO CC[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000820599683 634469278 /nfs/dbraw/zinc/46/92/78/634469278.db2.gz XUBSCUQVECJYGZ-UHFFFAOYSA-N 1 0 279.340 2.054 20 5 CEBDRO CCCCOCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892732809 627736920 /nfs/dbraw/zinc/73/69/20/627736920.db2.gz MLDLDPYYHFYGGA-UHFFFAOYSA-N 1 0 298.339 2.215 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000893278592 628231786 /nfs/dbraw/zinc/23/17/86/628231786.db2.gz HQWZAVBGFOKFCK-VHSXEESVSA-N 1 0 266.297 2.197 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCC2 ZINC000902464905 634682838 /nfs/dbraw/zinc/68/28/38/634682838.db2.gz FHENVOPBPRGVCT-IPOQPSJVSA-N 1 0 287.363 2.455 20 5 CEBDRO C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779476 628803978 /nfs/dbraw/zinc/80/39/78/628803978.db2.gz ODEDBVSHLTXSPL-PWSUYJOCSA-N 1 0 299.321 2.490 20 5 CEBDRO Cc1c(C[NH2+]CCCC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000107844032 628933311 /nfs/dbraw/zinc/93/33/11/628933311.db2.gz XRVYBJWZYBKWTN-UHFFFAOYSA-N 1 0 291.351 2.052 20 5 CEBDRO C[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261617875 628949070 /nfs/dbraw/zinc/94/90/70/628949070.db2.gz UIHGVBNIXUSJKY-CYBMUJFWSA-N 1 0 283.759 2.419 20 5 CEBDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180330 628983206 /nfs/dbraw/zinc/98/32/06/628983206.db2.gz RNKYJDWBDSUVED-HIJJYWJESA-N 1 0 278.308 2.365 20 5 CEBDRO C[C@@H](NC[C@H]1CCCCC[NH2+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000902482447 634699513 /nfs/dbraw/zinc/69/95/13/634699513.db2.gz LFVURQYTPAMUBR-DGCLKSJQSA-N 1 0 292.383 2.360 20 5 CEBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000893825635 629012103 /nfs/dbraw/zinc/01/21/03/629012103.db2.gz FKTCKEMXAJBHDX-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402155 634712256 /nfs/dbraw/zinc/71/22/56/634712256.db2.gz NJWLHGKQPPGQGT-PWSUYJOCSA-N 1 0 278.308 2.259 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000794949043 629369185 /nfs/dbraw/zinc/36/91/85/629369185.db2.gz NUXKBZJJWLGQMB-FZMZJTMJSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccnc(N)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000894365704 629396792 /nfs/dbraw/zinc/39/67/92/629396792.db2.gz GIFHKDVKNPOQKH-UHFFFAOYSA-N 1 0 286.335 2.213 20 5 CEBDRO CC1=NO[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895310466 630098838 /nfs/dbraw/zinc/09/88/38/630098838.db2.gz HVKRJPUVHIPZTA-BPJJOFIESA-N 1 0 275.308 2.362 20 5 CEBDRO CC(C)Oc1nc(N[C@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736537 630326320 /nfs/dbraw/zinc/32/63/20/630326320.db2.gz KLNSZKIOUBXIJX-QWRGUYRKSA-N 1 0 294.355 2.282 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737761 630327683 /nfs/dbraw/zinc/32/76/83/630327683.db2.gz YHZVTOUWEPZJDJ-ZJUUUORDSA-N 1 0 295.339 2.117 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000895769036 630337885 /nfs/dbraw/zinc/33/78/85/630337885.db2.gz LXBOUDUPPXPHHF-GFCCVEGCSA-N 1 0 272.308 2.259 20 5 CEBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000896559739 630595084 /nfs/dbraw/zinc/59/50/84/630595084.db2.gz TXQSWQZJGOTTBL-JOYOIKCWSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737324 630653383 /nfs/dbraw/zinc/65/33/83/630653383.db2.gz QYGPNAKVWNTXPM-LDYMZIIASA-N 1 0 270.716 2.373 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCS1 ZINC000896950934 630838449 /nfs/dbraw/zinc/83/84/49/630838449.db2.gz FZCXMTFBMVGFFR-DMOGRIERSA-N 1 0 296.396 2.369 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545012 631286876 /nfs/dbraw/zinc/28/68/76/631286876.db2.gz XVMHEACBFQRXJH-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804387731 631675556 /nfs/dbraw/zinc/67/55/56/631675556.db2.gz HKJMWWCUJKAJGR-NSHDSACASA-N 1 0 278.356 2.319 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cncs1 ZINC000897931026 631970612 /nfs/dbraw/zinc/97/06/12/631970612.db2.gz UUIYQCYTOBBOHB-IDKOKCKLSA-N 1 0 293.352 2.302 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CO)CC(C)C)cccc1[N+](=O)[O-] ZINC000040777403 632352348 /nfs/dbraw/zinc/35/23/48/632352348.db2.gz BCFQBEJVZGVBRO-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO CCO[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000926961387 632389087 /nfs/dbraw/zinc/38/90/87/632389087.db2.gz IWKIELDFSNXLKN-IUODEOHRSA-N 1 0 295.383 2.212 20 5 CEBDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084906 632451903 /nfs/dbraw/zinc/45/19/03/632451903.db2.gz OGKKJMNGHXUXNY-BXUZGUMPSA-N 1 0 280.324 2.051 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccccc2Br)CC1 ZINC000905132006 635838295 /nfs/dbraw/zinc/83/82/95/635838295.db2.gz JRCVYESQNCHNNQ-UHFFFAOYSA-N 1 0 299.168 2.347 20 5 CEBDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815161472 632974570 /nfs/dbraw/zinc/97/45/70/632974570.db2.gz FJVCKXYDUFFLFH-VHSXEESVSA-N 1 0 295.314 2.403 20 5 CEBDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000815640460 633041871 /nfs/dbraw/zinc/04/18/71/633041871.db2.gz YQCCEUBDKGKROY-LLVKDONJSA-N 1 0 289.339 2.007 20 5 CEBDRO CC1CC[NH+]([C@H](CNCC[N+](=O)[O-])c2ccccc2)CC1 ZINC000899873782 633066477 /nfs/dbraw/zinc/06/64/77/633066477.db2.gz UMMLAMHBDAUOND-MRXNPFEDSA-N 1 0 291.395 2.326 20 5 CEBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962253 633804835 /nfs/dbraw/zinc/80/48/35/633804835.db2.gz KAAKUVNEKWSKSK-JQWIXIFHSA-N 1 0 280.372 2.345 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+](C)C)c1C ZINC000901326275 634063976 /nfs/dbraw/zinc/06/39/76/634063976.db2.gz FWRBORAFDMCRMD-UHFFFAOYSA-N 1 0 293.367 2.235 20 5 CEBDRO CSCC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088166 634065228 /nfs/dbraw/zinc/06/52/28/634065228.db2.gz SBTBREIAIJSYQI-GXFFZTMASA-N 1 0 284.381 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCC2CC2)c1 ZINC000819088552 634065399 /nfs/dbraw/zinc/06/53/99/634065399.db2.gz UCVGEDLHFNXYOT-AWEZNQCLSA-N 1 0 264.325 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC(F)(F)F)c1 ZINC000819123707 634074754 /nfs/dbraw/zinc/07/47/54/634074754.db2.gz ACALFLUUQUEKFD-SNVBAGLBSA-N 1 0 278.230 2.170 20 5 CEBDRO Cc1cncc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819193971 634100446 /nfs/dbraw/zinc/10/04/46/634100446.db2.gz NCNMIERRLCBIFT-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO CC[C@H](CSC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207795 634104940 /nfs/dbraw/zinc/10/49/40/634104940.db2.gz PBCKZCZNWNDASP-YPMHNXCESA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819287283 634128987 /nfs/dbraw/zinc/12/89/87/634128987.db2.gz UHSFCBFQVGZQFC-WQAKAFBOSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000822518830 634936078 /nfs/dbraw/zinc/93/60/78/634936078.db2.gz XUODTAHTAFQNTL-QWHCGFSZSA-N 1 0 299.415 2.059 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CC2(C)COC2)cc([N+](=O)[O-])c1 ZINC000903096749 634976559 /nfs/dbraw/zinc/97/65/59/634976559.db2.gz KCOMEGWZCGLXHO-JTQLQIEISA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903112841 634977344 /nfs/dbraw/zinc/97/73/44/634977344.db2.gz JNPNKQVXLQWIGM-NTZNESFSSA-N 1 0 292.335 2.191 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCCCCO)cc([N+](=O)[O-])c1 ZINC000903164720 634995266 /nfs/dbraw/zinc/99/52/66/634995266.db2.gz MVTVEAHGOSRQTA-NSHDSACASA-N 1 0 282.340 2.417 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903182971 635001760 /nfs/dbraw/zinc/00/17/60/635001760.db2.gz JEXGZUSSMZZGFI-MEBBXXQBSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903199308 635009439 /nfs/dbraw/zinc/00/94/39/635009439.db2.gz JWRHBXLXCDWKCO-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903298772 635046141 /nfs/dbraw/zinc/04/61/41/635046141.db2.gz ZINRFZBSNWWZNS-GYSYKLTISA-N 1 0 295.358 2.347 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000903322122 635055486 /nfs/dbraw/zinc/05/54/86/635055486.db2.gz LMHJXMDJDFAURV-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000903393988 635089903 /nfs/dbraw/zinc/08/99/03/635089903.db2.gz WWKZRTSVQSASDP-BXUZGUMPSA-N 1 0 291.351 2.256 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903798297 635276282 /nfs/dbraw/zinc/27/62/82/635276282.db2.gz NBZKGRNZUOUGFN-XHDPSFHLSA-N 1 0 293.342 2.437 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@]23CC[NH2+]C3)c(F)c1 ZINC000903866462 635300237 /nfs/dbraw/zinc/30/02/37/635300237.db2.gz JJFFOBTWXTUKAJ-CQSZACIVSA-N 1 0 279.315 2.062 20 5 CEBDRO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000904448872 635640503 /nfs/dbraw/zinc/64/05/03/635640503.db2.gz DLURDCDCTBLXRL-UHFFFAOYSA-N 1 0 287.319 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C34CCC(CC3)[NH2+]4)n2)s1 ZINC000904691226 635699396 /nfs/dbraw/zinc/69/93/96/635699396.db2.gz XQXPKHRCSKGNIF-UHFFFAOYSA-N 1 0 292.320 2.447 20 5 CEBDRO C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800571 635708325 /nfs/dbraw/zinc/70/83/25/635708325.db2.gz YXMWPIKEYWAGRT-VHSXEESVSA-N 1 0 275.312 2.135 20 5 CEBDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905144885 635846700 /nfs/dbraw/zinc/84/67/00/635846700.db2.gz KVDWMFUYAHTONM-GJZGRUSLSA-N 1 0 278.352 2.329 20 5 CEBDRO O=[N+]([O-])CCNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000905312171 636212740 /nfs/dbraw/zinc/21/27/40/636212740.db2.gz CLZWKEGGLJDLJO-UHFFFAOYSA-N 1 0 277.368 2.404 20 5 CEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)c1c(Cl)cccc1Cl ZINC000905365874 636247047 /nfs/dbraw/zinc/24/70/47/636247047.db2.gz REJQXASGFCQTEY-WRWORJQWSA-N 1 0 293.150 2.282 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827407653 636315108 /nfs/dbraw/zinc/31/51/08/636315108.db2.gz OPXRDVULAVSKEH-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000827585650 636359512 /nfs/dbraw/zinc/35/95/12/636359512.db2.gz NMUJEEUAXAKLHG-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H](C[NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000905643435 636379353 /nfs/dbraw/zinc/37/93/53/636379353.db2.gz MAIYOPSUFMEJFE-KCJUWKMLSA-N 1 0 292.257 2.211 20 5 CEBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876502341 650292728 /nfs/dbraw/zinc/29/27/28/650292728.db2.gz ZLKOQVYAEMLASZ-GFCCVEGCSA-N 1 0 299.330 2.311 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000831063341 637225617 /nfs/dbraw/zinc/22/56/17/637225617.db2.gz YOEYMYWOLYRDLZ-MFKMUULPSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834832210 637965562 /nfs/dbraw/zinc/96/55/62/637965562.db2.gz MTWFHCYIIWZDRY-GHMZBOCLSA-N 1 0 281.356 2.236 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000910295532 637999136 /nfs/dbraw/zinc/99/91/36/637999136.db2.gz MGCPTXVQWPQHQW-SNVBAGLBSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSCCC[NH3+] ZINC000911906587 638474090 /nfs/dbraw/zinc/47/40/90/638474090.db2.gz HMNJJSSXSGWXJZ-UHFFFAOYSA-N 1 0 297.380 2.314 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857937 650461347 /nfs/dbraw/zinc/46/13/47/650461347.db2.gz LCTGWCJEPOHLOA-JTQLQIEISA-N 1 0 279.340 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000876869428 650465302 /nfs/dbraw/zinc/46/53/02/650465302.db2.gz FRKYQSINENRINM-RYUDHWBXSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCCCC3)C2)c1 ZINC000876876180 650468863 /nfs/dbraw/zinc/46/88/63/650468863.db2.gz AGHJDFNJDWJEHU-UHFFFAOYSA-N 1 0 264.329 2.417 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000223284445 639418218 /nfs/dbraw/zinc/41/82/18/639418218.db2.gz GANBHIXODMNREY-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCCC1 ZINC000876964101 650509489 /nfs/dbraw/zinc/50/94/89/650509489.db2.gz SDXSLTVXNHCWDN-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO Cc1c(C[NH2+]CCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000228364894 639632101 /nfs/dbraw/zinc/63/21/01/639632101.db2.gz NJLMSZVXQUMOHU-UHFFFAOYSA-N 1 0 293.367 2.298 20 5 CEBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000228891355 639663060 /nfs/dbraw/zinc/66/30/60/639663060.db2.gz RAZOIBGATLDREJ-OCAPTIKFSA-N 1 0 271.267 2.060 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063168430 639835945 /nfs/dbraw/zinc/83/59/45/639835945.db2.gz CEGNJSFSLYRWMW-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063193820 639837257 /nfs/dbraw/zinc/83/72/57/639837257.db2.gz LTUVVCPLEUBFJW-GWCFXTLKSA-N 1 0 292.339 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000877046641 650546207 /nfs/dbraw/zinc/54/62/07/650546207.db2.gz NWDWIZZAMHUPIO-CMPLNLGQSA-N 1 0 291.351 2.082 20 5 CEBDRO CO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877066966 650557207 /nfs/dbraw/zinc/55/72/07/650557207.db2.gz BNWWOIOPXLZFKQ-GCZXYKMCSA-N 1 0 296.371 2.146 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930568 640222505 /nfs/dbraw/zinc/22/25/05/640222505.db2.gz YQYRNQDFCSXOOY-KKZNHRDASA-N 1 0 265.313 2.005 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056863 640258743 /nfs/dbraw/zinc/25/87/43/640258743.db2.gz BDFILDLRQIBZMD-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843076153 640270418 /nfs/dbraw/zinc/27/04/18/640270418.db2.gz QUELMMFRJPIHAG-GJZGRUSLSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000843147540 640305431 /nfs/dbraw/zinc/30/54/31/640305431.db2.gz AZALPISALZFJKQ-GFCCVEGCSA-N 1 0 292.295 2.213 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]([NH3+])C2CC2)n1 ZINC000843187352 640338795 /nfs/dbraw/zinc/33/87/95/640338795.db2.gz OEFCZFDNNHMYIB-GFCCVEGCSA-N 1 0 288.307 2.233 20 5 CEBDRO Cc1c(-c2noc(CC[NH2+]C(C)C)n2)cccc1[N+](=O)[O-] ZINC000843238320 640364333 /nfs/dbraw/zinc/36/43/33/640364333.db2.gz PIHHFIVGHFAKIR-UHFFFAOYSA-N 1 0 290.323 2.494 20 5 CEBDRO Cc1c(-c2noc(C[C@H]3CCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000843237442 640364853 /nfs/dbraw/zinc/36/48/53/640364853.db2.gz AZMANMDBHOEGNV-SNVBAGLBSA-N 1 0 288.307 2.248 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495794 640443624 /nfs/dbraw/zinc/44/36/24/640443624.db2.gz VUBHMFOPRTVSQD-NSHDSACASA-N 1 0 291.351 2.180 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000915513128 640582848 /nfs/dbraw/zinc/58/28/48/640582848.db2.gz VKUBUYVEWHVURZ-SNVBAGLBSA-N 1 0 282.296 2.219 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000848300330 641956091 /nfs/dbraw/zinc/95/60/91/641956091.db2.gz GEYUVVDJUNQVFQ-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC1CCC1 ZINC000849012644 642229239 /nfs/dbraw/zinc/22/92/39/642229239.db2.gz IVHKKOGMFJJELJ-UHFFFAOYSA-N 1 0 282.731 2.415 20 5 CEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877497970 650751418 /nfs/dbraw/zinc/75/14/18/650751418.db2.gz HDMBXBUPVGRXMS-OQSWDALSSA-N 1 0 294.355 2.042 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850378212 642689707 /nfs/dbraw/zinc/68/97/07/642689707.db2.gz YGRNVDMDIIWLAU-OLZOCXBDSA-N 1 0 298.289 2.499 20 5 CEBDRO C[N@@H+](CC1=CCSC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852747737 643532117 /nfs/dbraw/zinc/53/21/17/643532117.db2.gz VPQRIJOUMDAHBO-AWEZNQCLSA-N 1 0 294.376 2.233 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484647 643732969 /nfs/dbraw/zinc/73/29/69/643732969.db2.gz ACUQZYKIWVTAFD-GFCCVEGCSA-N 1 0 293.367 2.164 20 5 CEBDRO C[C@@H](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855414291 644335963 /nfs/dbraw/zinc/33/59/63/644335963.db2.gz YGLBDBBNGAWQBS-PWWFUAJNSA-N 1 0 291.351 2.064 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000877902503 650942895 /nfs/dbraw/zinc/94/28/95/650942895.db2.gz BTIMOPRIJWBSFW-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000856775167 644719184 /nfs/dbraw/zinc/71/91/84/644719184.db2.gz GKOFQMBTKLHECW-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000761097497 645240074 /nfs/dbraw/zinc/24/00/74/645240074.db2.gz TTWYXKBDVALFLY-CMPLNLGQSA-N 1 0 278.308 2.076 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860066696 645689629 /nfs/dbraw/zinc/68/96/29/645689629.db2.gz WMOIEVCJMFGWAW-AWEZNQCLSA-N 1 0 296.367 2.111 20 5 CEBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000860481408 645802590 /nfs/dbraw/zinc/80/25/90/645802590.db2.gz LEOZDDXFUWYKHM-UHFFFAOYSA-N 1 0 299.330 2.134 20 5 CEBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302931 651059881 /nfs/dbraw/zinc/05/98/81/651059881.db2.gz BDCACFHUYVPRAT-RYUDHWBXSA-N 1 0 276.336 2.378 20 5 CEBDRO CN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774162354 646811791 /nfs/dbraw/zinc/81/17/91/646811791.db2.gz HTVCOIZAVBTURI-SWLSCSKDSA-N 1 0 275.352 2.266 20 5 CEBDRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000775596216 646970631 /nfs/dbraw/zinc/97/06/31/646970631.db2.gz CXNYNPZTWAOAGC-NSHDSACASA-N 1 0 291.351 2.256 20 5 CEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000776580328 647073998 /nfs/dbraw/zinc/07/39/98/647073998.db2.gz UMKVVHZSUGRJLJ-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000865859953 647508220 /nfs/dbraw/zinc/50/82/20/647508220.db2.gz YMKUEWCJQUXAIP-CABCVRRESA-N 1 0 292.335 2.405 20 5 CEBDRO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000782182465 647597053 /nfs/dbraw/zinc/59/70/53/647597053.db2.gz HLVDDPBQDTYTQN-CMPLNLGQSA-N 1 0 276.340 2.275 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000866206278 647669385 /nfs/dbraw/zinc/66/93/85/647669385.db2.gz RIQNDFPJDDSJQG-BXKDBHETSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000866206279 647669667 /nfs/dbraw/zinc/66/96/67/647669667.db2.gz RIQNDFPJDDSJQG-CABZTGNLSA-N 1 0 296.758 2.174 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866271161 647709834 /nfs/dbraw/zinc/70/98/34/647709834.db2.gz DZALFBVJDFIYOP-MFKMUULPSA-N 1 0 284.331 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1Cl ZINC000783596205 647734798 /nfs/dbraw/zinc/73/47/98/647734798.db2.gz HZPLOKZKFPXPIZ-JTQLQIEISA-N 1 0 270.716 2.374 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866390391 647769290 /nfs/dbraw/zinc/76/92/90/647769290.db2.gz VMULTDPULJWXMJ-JOYOIKCWSA-N 1 0 270.304 2.025 20 5 CEBDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000792200378 648624928 /nfs/dbraw/zinc/62/49/28/648624928.db2.gz ICMUOKOOQIWFSI-JQWIXIFHSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@H]1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000888554078 649007412 /nfs/dbraw/zinc/00/74/12/649007412.db2.gz CFILIHLUXWDDHK-UWVGGRQHSA-N 1 0 295.314 2.403 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCO ZINC000872016514 649242261 /nfs/dbraw/zinc/24/22/61/649242261.db2.gz KKXFLHXOSPBAIG-VIFPVBQESA-N 1 0 270.354 2.350 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027247 649245004 /nfs/dbraw/zinc/24/50/04/649245004.db2.gz KOTFCNAHUBQNKW-UWVGGRQHSA-N 1 0 268.288 2.421 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062213 649258313 /nfs/dbraw/zinc/25/83/13/649258313.db2.gz LAKGDYZIEFSDHA-YGRLFVJLSA-N 1 0 298.314 2.190 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129541 649287822 /nfs/dbraw/zinc/28/78/22/649287822.db2.gz KYRCECLEBXAOLL-SCVCMEIPSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873047703 649541541 /nfs/dbraw/zinc/54/15/41/649541541.db2.gz ZWTMPMFQPFQXCK-AWEZNQCLSA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1c(C[NH2+]CCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000873066174 649548830 /nfs/dbraw/zinc/54/88/30/649548830.db2.gz ZRTRPDFVLILLGJ-GFCCVEGCSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCCO ZINC000873116276 649560967 /nfs/dbraw/zinc/56/09/67/649560967.db2.gz AFSQBLWRYAUJTN-UHFFFAOYSA-N 1 0 266.341 2.464 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](O)C(F)F ZINC000873151760 649571340 /nfs/dbraw/zinc/57/13/40/649571340.db2.gz ZZERAOVVAAJZAA-LBPRGKRZSA-N 1 0 288.294 2.317 20 5 CEBDRO CCC[C@@H](C)C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000873192953 649584583 /nfs/dbraw/zinc/58/45/83/649584583.db2.gz LUTRACKXLKAEEC-KCPJHIHWSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@H](O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565493 651131618 /nfs/dbraw/zinc/13/16/18/651131618.db2.gz LSEGLJQMRXQSMN-OAHLLOKOSA-N 1 0 280.368 2.476 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1csc([N+](=O)[O-])c1 ZINC000880134771 651388250 /nfs/dbraw/zinc/38/82/50/651388250.db2.gz VYZSCPRARCIVSG-RYUDHWBXSA-N 1 0 281.381 2.325 20 5 CEBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429191 651439013 /nfs/dbraw/zinc/43/90/13/651439013.db2.gz UYVLEZYCBCIDRN-HUUCEWRRSA-N 1 0 294.351 2.139 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882959705 652289633 /nfs/dbraw/zinc/28/96/33/652289633.db2.gz NXSKCWBOUHRZID-SNVBAGLBSA-N 1 0 295.339 2.118 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883200304 652398006 /nfs/dbraw/zinc/39/80/06/652398006.db2.gz FYMKSIFIMCBTDS-ZIAGYGMSSA-N 1 0 294.351 2.126 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000884244553 652765170 /nfs/dbraw/zinc/76/51/70/652765170.db2.gz HITNFGRCHVGLRG-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000884438155 652851148 /nfs/dbraw/zinc/85/11/48/652851148.db2.gz VIJPSAOBVJTTLG-ZYHUDNBSSA-N 1 0 291.351 2.082 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892485 652886500 /nfs/dbraw/zinc/88/65/00/652886500.db2.gz HGMMBPABXYHFEU-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408067843 719153198 /nfs/dbraw/zinc/15/31/98/719153198.db2.gz PIKFZQZMMHWWNW-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1c(C)c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164642610 719210382 /nfs/dbraw/zinc/21/03/82/719210382.db2.gz WUKLWGUWUNEXQP-UWVGGRQHSA-N 1 0 278.356 2.135 20 5 CEBDRO COCCc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227194178 805879592 /nfs/dbraw/zinc/87/95/92/805879592.db2.gz FXJMAECZIYQZMT-CYBMUJFWSA-N 1 0 252.378 2.349 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cc(C[NH3+])cn1 ZINC001168261968 806452977 /nfs/dbraw/zinc/45/29/77/806452977.db2.gz VRBZCTIKLSFRFP-UHFFFAOYSA-N 1 0 290.323 2.335 20 5 CEBDRO COC(=O)[C@@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224620716 806870279 /nfs/dbraw/zinc/87/02/79/806870279.db2.gz AJDIIURHRXIOKA-AWEZNQCLSA-N 1 0 284.351 2.153 20 5 CEBDRO C[N+](C)(C)CCCOC[C@H]1CCc2ccccc2O1 ZINC001224618120 806866648 /nfs/dbraw/zinc/86/66/48/806866648.db2.gz COXUFZVRCVUYMK-OAHLLOKOSA-N 1 0 264.389 2.493 20 5 CEBDRO CC[NH+]1CCC(OCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224777468 806952143 /nfs/dbraw/zinc/95/21/43/806952143.db2.gz XIBMVBJBVZWKCN-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]c(CO)c2)ccc1F ZINC001211191292 802786785 /nfs/dbraw/zinc/78/67/85/802786785.db2.gz USWWDZODISNHKB-UHFFFAOYSA-N 1 0 263.228 2.365 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NCC(C)(C)C(N)=O ZINC001167604553 803189392 /nfs/dbraw/zinc/18/93/92/803189392.db2.gz AVLRBOLOIVSPOB-UHFFFAOYSA-O 1 0 278.420 2.206 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000694696170 803580417 /nfs/dbraw/zinc/58/04/17/803580417.db2.gz XVGMNHCFDDSEPM-HZMBPMFUSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177071 815022461 /nfs/dbraw/zinc/02/24/61/815022461.db2.gz XKPMIMCAKNQVAL-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000721776407 805401255 /nfs/dbraw/zinc/40/12/55/805401255.db2.gz MXFZPHILDBMWLX-ZDUSSCGKSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1F ZINC001226269646 805563266 /nfs/dbraw/zinc/56/32/66/805563266.db2.gz IIFBTOSQZBHLER-VIFPVBQESA-N 1 0 257.285 2.207 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000696026159 807127822 /nfs/dbraw/zinc/12/78/22/807127822.db2.gz UOPQMQHCWXEVTE-NSHDSACASA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(Nc2nccnc2C[NH3+])c1F ZINC001171448983 815141957 /nfs/dbraw/zinc/14/19/57/815141957.db2.gz GHJUGEPWHYSQHR-UHFFFAOYSA-N 1 0 277.259 2.035 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000716700616 815143306 /nfs/dbraw/zinc/14/33/06/815143306.db2.gz ULWONFYSHNENEB-NSHDSACASA-N 1 0 292.257 2.306 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699839190 807869817 /nfs/dbraw/zinc/86/98/17/807869817.db2.gz SMZXIHSCQVPBJJ-PWSUYJOCSA-N 1 0 250.298 2.028 20 5 CEBDRO CCC1(Nc2ccc3cnccc3c2[N+](=O)[O-])C[NH2+]C1 ZINC001168582471 808667658 /nfs/dbraw/zinc/66/76/58/808667658.db2.gz QIYRIFAUMZMMGS-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO CC1(C)CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001120595481 815243272 /nfs/dbraw/zinc/24/32/72/815243272.db2.gz FWZJCIFSUXAFKN-ZDUSSCGKSA-N 1 0 294.351 2.113 20 5 CEBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001120726147 815263324 /nfs/dbraw/zinc/26/33/24/815263324.db2.gz BPGLAUHQGPGHPU-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO [NH3+]CCCCCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702055891 809491048 /nfs/dbraw/zinc/49/10/48/809491048.db2.gz OGFBYLANFUETMH-UHFFFAOYSA-N 1 0 299.758 2.497 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000706543993 809834659 /nfs/dbraw/zinc/83/46/59/809834659.db2.gz NTAPVEMWGXBBKC-ZJUUUORDSA-N 1 0 297.742 2.248 20 5 CEBDRO CSC1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000708316247 809926284 /nfs/dbraw/zinc/92/62/84/809926284.db2.gz LBGVPKCSOFLXMC-GDKBPFBDSA-N 1 0 282.365 2.112 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1ccccc1[N+](=O)[O-] ZINC000710830371 809995137 /nfs/dbraw/zinc/99/51/37/809995137.db2.gz BGHOXCULXDTHNS-UHFFFAOYSA-N 1 0 279.340 2.186 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896483 809999875 /nfs/dbraw/zinc/99/98/75/809999875.db2.gz BGDJOGJQVANBGR-SCVCMEIPSA-N 1 0 250.298 2.280 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC001118991952 810390618 /nfs/dbraw/zinc/39/06/18/810390618.db2.gz UMALZYLWERRIAW-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])s1 ZINC001122595875 815429659 /nfs/dbraw/zinc/42/96/59/815429659.db2.gz SUADVBWTRKOTLX-SNVBAGLBSA-N 1 0 297.380 2.166 20 5 CEBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977837 811306375 /nfs/dbraw/zinc/30/63/75/811306375.db2.gz MMXBAJZNTJFOEP-WDEREUQCSA-N 1 0 267.304 2.064 20 5 CEBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977834 811306975 /nfs/dbraw/zinc/30/69/75/811306975.db2.gz MMXBAJZNTJFOEP-GHMZBOCLSA-N 1 0 267.304 2.064 20 5 CEBDRO Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168979214 811307961 /nfs/dbraw/zinc/30/79/61/811307961.db2.gz XEVXIOQUHMGDDV-MNOVXSKESA-N 1 0 269.370 2.295 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC001168979913 811308217 /nfs/dbraw/zinc/30/82/17/811308217.db2.gz CDTLWDDZJMIHNV-UBHSHLNASA-N 1 0 275.352 2.494 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001168982126 811309767 /nfs/dbraw/zinc/30/97/67/811309767.db2.gz IOOLAJVYYSOSRC-ZLKJLUDKSA-N 1 0 298.770 2.408 20 5 CEBDRO C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985392 811310800 /nfs/dbraw/zinc/31/08/00/811310800.db2.gz DXSBCJWWZRGHQA-HZSPNIEDSA-N 1 0 278.352 2.489 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168985417 811311193 /nfs/dbraw/zinc/31/11/93/811311193.db2.gz FCMQNJBCFQDYKZ-YPMHNXCESA-N 1 0 263.341 2.352 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001168984600 811311534 /nfs/dbraw/zinc/31/15/34/811311534.db2.gz OYZLHJLSLFQMDF-WCQYABFASA-N 1 0 261.325 2.106 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001168958787 811312265 /nfs/dbraw/zinc/31/22/65/811312265.db2.gz PPOKUPGDZNRQER-YPMHNXCESA-N 1 0 252.289 2.361 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cnc2ccccn21 ZINC001168956249 811312805 /nfs/dbraw/zinc/31/28/05/811312805.db2.gz AMMAOBLVZMHRDV-JHJVBQTASA-N 1 0 288.351 2.430 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001168960015 811313621 /nfs/dbraw/zinc/31/36/21/811313621.db2.gz YZHYFTSMIRKHLW-UWVGGRQHSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001168959360 811313719 /nfs/dbraw/zinc/31/37/19/811313719.db2.gz VEPNASMZMGTFJE-QWRGUYRKSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001168959558 811314041 /nfs/dbraw/zinc/31/40/41/811314041.db2.gz WRGXDQMCZOADDJ-CMPLNLGQSA-N 1 0 252.289 2.361 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001168959417 811314534 /nfs/dbraw/zinc/31/45/34/811314534.db2.gz VVPFKJJJQXILNE-FZMZJTMJSA-N 1 0 260.337 2.189 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC001168963691 811317523 /nfs/dbraw/zinc/31/75/23/811317523.db2.gz PSLURXCLIAQEHB-VHDGCEQUSA-N 1 0 278.352 2.145 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)C1 ZINC001168993582 811325661 /nfs/dbraw/zinc/32/56/61/811325661.db2.gz NKCMXIURYHUTLA-UMVBOHGHSA-N 1 0 290.363 2.273 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ncccc3F)CC2)C1 ZINC001168997341 811327384 /nfs/dbraw/zinc/32/73/84/811327384.db2.gz CHNINJVAGKNKHK-VXGBXAGGSA-N 1 0 293.342 2.287 20 5 CEBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169002238 811327990 /nfs/dbraw/zinc/32/79/90/811327990.db2.gz JQALFUHUYIURNS-YIYPIFLZSA-N 1 0 298.383 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOc2cc(Cl)ccn2)C1 ZINC001169005449 811331179 /nfs/dbraw/zinc/33/11/79/811331179.db2.gz UMIJESLKZBCUJK-PWSUYJOCSA-N 1 0 299.758 2.149 20 5 CEBDRO COc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169006618 811333090 /nfs/dbraw/zinc/33/30/90/811333090.db2.gz IRINQJILLSGLIA-DOMZBBRYSA-N 1 0 290.363 2.499 20 5 CEBDRO CC(C)(Cc1cccnc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006333 811333252 /nfs/dbraw/zinc/33/32/52/811333252.db2.gz XOIJSDGLZOIVKW-GXTWGEPZSA-N 1 0 277.368 2.438 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)C1 ZINC001169013452 811333427 /nfs/dbraw/zinc/33/34/27/811333427.db2.gz VIAQTVSHTJICKD-MGPQQGTHSA-N 1 0 268.357 2.077 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2F)C1 ZINC001168988123 811337380 /nfs/dbraw/zinc/33/73/80/811337380.db2.gz OBCFQVWZWZABNB-KOLCDFICSA-N 1 0 268.288 2.066 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(OCc3ccccc3)C2)C1 ZINC001169027467 811339736 /nfs/dbraw/zinc/33/97/36/811339736.db2.gz QBENRFGDJNUXJU-CABCVRRESA-N 1 0 290.363 2.333 20 5 CEBDRO CC(C)Oc1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168990855 811339845 /nfs/dbraw/zinc/33/98/45/811339845.db2.gz FCFLDYUMEFXKLC-OLZOCXBDSA-N 1 0 293.367 2.404 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034182 811345713 /nfs/dbraw/zinc/34/57/13/811345713.db2.gz FVUWYTJMWRNJQB-JHJVBQTASA-N 1 0 298.383 2.095 20 5 CEBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038841 811347836 /nfs/dbraw/zinc/34/78/36/811347836.db2.gz KWTSTBNHLMGPEV-YPMHNXCESA-N 1 0 292.335 2.293 20 5 CEBDRO Cc1nnc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)o1 ZINC001169038973 811349152 /nfs/dbraw/zinc/34/91/52/811349152.db2.gz LZIHJOKIPDRVJJ-YPMHNXCESA-N 1 0 294.355 2.003 20 5 CEBDRO C[N@H+](Cc1cscn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040364 811351083 /nfs/dbraw/zinc/35/10/83/811351083.db2.gz ZJPOKPIGGHRJLQ-MWLCHTKSSA-N 1 0 255.343 2.020 20 5 CEBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053901 811359024 /nfs/dbraw/zinc/35/90/24/811359024.db2.gz KBAKJNVHWCGRSE-MJBXVCDLSA-N 1 0 298.383 2.097 20 5 CEBDRO CC1(C)C[C@H](Nc2cnc([N+](=O)[O-])cn2)C[C@@](C)(C[NH3+])C1 ZINC001169151164 811413940 /nfs/dbraw/zinc/41/39/40/811413940.db2.gz GPZNXGCMQRMMDB-IINYFYTJSA-N 1 0 293.371 2.340 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001169228313 811441032 /nfs/dbraw/zinc/44/10/32/811441032.db2.gz OJVBWMXUBNCLIM-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)c1 ZINC001169726593 811627684 /nfs/dbraw/zinc/62/76/84/811627684.db2.gz ZKIKKJJHUFBLAZ-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO C[NH2+]CCNc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001156897663 811944686 /nfs/dbraw/zinc/94/46/86/811944686.db2.gz XVJHPLHYBIKGQS-UHFFFAOYSA-N 1 0 280.715 2.428 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157266731 812064342 /nfs/dbraw/zinc/06/43/42/812064342.db2.gz WJPSCQFUQACBRC-KOLCDFICSA-N 1 0 296.758 2.174 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CSC2)c([N+](=O)[O-])c1 ZINC001170310435 812383840 /nfs/dbraw/zinc/38/38/40/812383840.db2.gz VWGXSYJVXPZKQC-SNVBAGLBSA-N 1 0 296.392 2.487 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C(C)(C)O)c([N+](=O)[O-])c1 ZINC001170327940 812389147 /nfs/dbraw/zinc/38/91/47/812389147.db2.gz SSNJGTBJLZHIKE-GHMZBOCLSA-N 1 0 296.367 2.283 20 5 CEBDRO CCCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123573009 815533265 /nfs/dbraw/zinc/53/32/65/815533265.db2.gz ALJSDUJCAJMWFQ-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO Cc1nc(-n2cnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001158007336 812590393 /nfs/dbraw/zinc/59/03/93/812590393.db2.gz NNTARZGNLWYCIP-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CC(C)N(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC001158021464 812594188 /nfs/dbraw/zinc/59/41/88/812594188.db2.gz JWFCHLFUOBTNKT-VIFPVBQESA-N 1 0 284.747 2.220 20 5 CEBDRO Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001124126369 815600899 /nfs/dbraw/zinc/60/08/99/815600899.db2.gz LMXHGESMCFDKLV-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001170864033 813562867 /nfs/dbraw/zinc/56/28/67/813562867.db2.gz QRPQHRLYYBWTFR-AWEZNQCLSA-N 1 0 281.356 2.362 20 5 CEBDRO O=[N+]([O-])c1ccnc(Cl)c1NC[C@H]1CCCC[NH2+]1 ZINC001171327941 814544919 /nfs/dbraw/zinc/54/49/19/814544919.db2.gz JDFNEECZVIBKRR-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000712578530 814753013 /nfs/dbraw/zinc/75/30/13/814753013.db2.gz WIDIJDXEUIINQU-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000712572009 814767357 /nfs/dbraw/zinc/76/73/57/814767357.db2.gz LHJAKHWLXPZQLW-FZMZJTMJSA-N 1 0 263.341 2.340 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCn1ccnc1 ZINC001173217282 815623767 /nfs/dbraw/zinc/62/37/67/815623767.db2.gz RMNCEMVWWMFAEO-ZDUSSCGKSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC001173218250 815624782 /nfs/dbraw/zinc/62/47/82/815624782.db2.gz PJIDHEJYARJDPX-LLVKDONJSA-N 1 0 287.319 2.416 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](O)C1 ZINC001173222020 815625930 /nfs/dbraw/zinc/62/59/30/815625930.db2.gz OLFLOCKTERYNFU-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C(C)(C)C[NH3+] ZINC001173220310 815626006 /nfs/dbraw/zinc/62/60/06/815626006.db2.gz XZOHMTNPJCRRAE-NSHDSACASA-N 1 0 265.357 2.195 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C)C[C@H]1C ZINC001173224819 815629355 /nfs/dbraw/zinc/62/93/55/815629355.db2.gz HBSBATUUNXUTPL-IOASZLSFSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC001173226241 815629511 /nfs/dbraw/zinc/62/95/11/815629511.db2.gz LMUVDKTYNNPJBU-OCCSQVGLSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C)CC1 ZINC001173228931 815631155 /nfs/dbraw/zinc/63/11/55/815631155.db2.gz NTFCFWOVXHQCRZ-ZDUSSCGKSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CN(C)C1 ZINC001173232630 815632147 /nfs/dbraw/zinc/63/21/47/815632147.db2.gz RXYSZGSSSBIHEO-LBPRGKRZSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]12CCOC2 ZINC001173233377 815632993 /nfs/dbraw/zinc/63/29/93/815632993.db2.gz VZAHLRRYSDHCTD-WFASDCNBSA-N 1 0 276.336 2.391 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CCO ZINC001173214382 815636811 /nfs/dbraw/zinc/63/68/11/815636811.db2.gz BGOQWIMNGWUKRT-LLVKDONJSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCOC1 ZINC001173213945 815637193 /nfs/dbraw/zinc/63/71/93/815637193.db2.gz MFRSCOMHRCYLSZ-AAEUAGOBSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CCO ZINC001173214383 815637308 /nfs/dbraw/zinc/63/73/08/815637308.db2.gz BGOQWIMNGWUKRT-NSHDSACASA-N 1 0 266.341 2.276 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492319556 290603114 /nfs/dbraw/zinc/60/31/14/290603114.db2.gz GKTFNAXOOLCSGG-MDZDMXLPSA-N 1 0 291.351 2.018 20 5 CEBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000124334124 187132772 /nfs/dbraw/zinc/13/27/72/187132772.db2.gz KYGCKRCVNCAQTE-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC(C)(C)C ZINC000449070755 282088091 /nfs/dbraw/zinc/08/80/91/282088091.db2.gz FIGFTLWULTWDRI-NSHDSACASA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000449063174 282085724 /nfs/dbraw/zinc/08/57/24/282085724.db2.gz LMHLHBHGZMSKLM-YPMHNXCESA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000124426928 187136979 /nfs/dbraw/zinc/13/69/79/187136979.db2.gz DMTDDYRMXYGKLM-LLVKDONJSA-N 1 0 265.313 2.182 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492368834 290607387 /nfs/dbraw/zinc/60/73/87/290607387.db2.gz TXUOCEMRJWXROG-HJWRWDBZSA-N 1 0 291.351 2.018 20 5 CEBDRO CC[NH+](CC)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033378150 361777441 /nfs/dbraw/zinc/77/74/41/361777441.db2.gz WOMLHMTYXOOTNA-HJWRWDBZSA-N 1 0 291.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](O)C1 ZINC000033394662 361778429 /nfs/dbraw/zinc/77/84/29/361778429.db2.gz ZPHKJRKWWFKLKH-RJNRQISESA-N 1 0 262.309 2.065 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079769808 343990069 /nfs/dbraw/zinc/99/00/69/343990069.db2.gz IFMWLSHIPKEJAV-OAHLLOKOSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159733 282125216 /nfs/dbraw/zinc/12/52/16/282125216.db2.gz ILLKAASTALMNQB-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175277 282131629 /nfs/dbraw/zinc/13/16/29/282131629.db2.gz ODZYGMQLZOPQJB-STQMWFEESA-N 1 0 296.367 2.167 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H]1O ZINC000449167692 282129097 /nfs/dbraw/zinc/12/90/97/282129097.db2.gz BFLHCKQCGJVPCI-KYOSRNDESA-N 1 0 278.352 2.276 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766569 361933218 /nfs/dbraw/zinc/93/32/18/361933218.db2.gz JALXYDDMDIHGNN-QMTHXVAHSA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccn(C)n1 ZINC000449244796 282156484 /nfs/dbraw/zinc/15/64/84/282156484.db2.gz VWGXPWNSARNIPR-GFCCVEGCSA-N 1 0 288.351 2.092 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426087 282231417 /nfs/dbraw/zinc/23/14/17/282231417.db2.gz QRPOVEUCWRRYMF-KBPBESRZSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000029912228 343402810 /nfs/dbraw/zinc/40/28/10/343402810.db2.gz FMSKPFKGMNCJDF-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1 ZINC000046868202 343505355 /nfs/dbraw/zinc/50/53/55/343505355.db2.gz XELKCQHIAXWZJR-UHFFFAOYSA-N 1 0 295.339 2.182 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000052072839 343556099 /nfs/dbraw/zinc/55/60/99/343556099.db2.gz KNCKXCPAEYWFQF-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973366 346946763 /nfs/dbraw/zinc/94/67/63/346946763.db2.gz LQXYMBWESGTSFV-RTXFEEFZSA-N 1 0 262.309 2.234 20 5 CEBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000295044645 199317135 /nfs/dbraw/zinc/31/71/35/199317135.db2.gz AEHFRCVBVDIDAY-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000602027165 346964162 /nfs/dbraw/zinc/96/41/62/346964162.db2.gz DYQSTPUNFSSSFO-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069912161 343792545 /nfs/dbraw/zinc/79/25/45/343792545.db2.gz MXLMBTXIHBNITA-OAHLLOKOSA-N 1 0 296.367 2.205 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000602174777 346988309 /nfs/dbraw/zinc/98/83/09/346988309.db2.gz UEZTUMBRHVZQFW-OLZOCXBDSA-N 1 0 291.351 2.053 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000602170222 346986889 /nfs/dbraw/zinc/98/68/89/346986889.db2.gz IQSZRMGAWOBQJA-NXEZZACHSA-N 1 0 297.380 2.115 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)CC1 ZINC000075621130 343860196 /nfs/dbraw/zinc/86/01/96/343860196.db2.gz WWIDDMKADWKOBH-SNVBAGLBSA-N 1 0 250.298 2.113 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000076759575 343897634 /nfs/dbraw/zinc/89/76/34/343897634.db2.gz RECVJDBMSOJGRK-LBPRGKRZSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000077656688 343928391 /nfs/dbraw/zinc/92/83/91/343928391.db2.gz IBIDOJNIKXBASE-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449639359 282314960 /nfs/dbraw/zinc/31/49/60/282314960.db2.gz OPBWOERALCDTEQ-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000449643114 282316191 /nfs/dbraw/zinc/31/61/91/282316191.db2.gz YNYOVRYIWAEDQP-AAEUAGOBSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000338912467 214835350 /nfs/dbraw/zinc/83/53/50/214835350.db2.gz LUIQFIHLLPLIOV-NSHDSACASA-N 1 0 295.387 2.251 20 5 CEBDRO COCC[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606496 344112336 /nfs/dbraw/zinc/11/23/36/344112336.db2.gz UDMOASULOODFMC-LLVKDONJSA-N 1 0 264.325 2.378 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000091483071 344165480 /nfs/dbraw/zinc/16/54/80/344165480.db2.gz CXAPIAUPJHTKPD-LBPRGKRZSA-N 1 0 293.367 2.495 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000089927357 344131330 /nfs/dbraw/zinc/13/13/30/344131330.db2.gz VMGHSXCBCIWFJI-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000093457276 344224352 /nfs/dbraw/zinc/22/43/52/344224352.db2.gz WQXLZAWIDWLDAP-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH+](C)C ZINC000092224267 344181146 /nfs/dbraw/zinc/18/11/46/344181146.db2.gz HOHVLJIMICRPPW-UHFFFAOYSA-N 1 0 293.367 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000092672343 344199081 /nfs/dbraw/zinc/19/90/81/344199081.db2.gz TYEQQQIPUIUPEE-WDEREUQCSA-N 1 0 276.340 2.335 20 5 CEBDRO Cc1c(CN2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499461 344315159 /nfs/dbraw/zinc/31/51/59/344315159.db2.gz VKZUKEAGSZJXKG-GXFFZTMASA-N 1 0 263.341 2.215 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000121382479 344302725 /nfs/dbraw/zinc/30/27/25/344302725.db2.gz YEDOBNMGLROUKF-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000122555538 344306778 /nfs/dbraw/zinc/30/67/78/344306778.db2.gz KXVADEIZZXCVAI-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO Cc1cc(C(=O)NCCC[NH2+]C(C)C)cc([N+](=O)[O-])c1 ZINC000151844718 344423557 /nfs/dbraw/zinc/42/35/57/344423557.db2.gz AQNZELLAFSJALE-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000157017521 344444840 /nfs/dbraw/zinc/44/48/40/344444840.db2.gz IQGFPABOIWRYGC-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO CCc1nn(C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000157897899 344448481 /nfs/dbraw/zinc/44/84/81/344448481.db2.gz QMVZUJVQDPBJER-UHFFFAOYSA-N 1 0 288.351 2.223 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449719959 282341475 /nfs/dbraw/zinc/34/14/75/282341475.db2.gz RPBCBFJNBRQSAZ-RLWBPUTGSA-N 1 0 292.335 2.002 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225725509 344547313 /nfs/dbraw/zinc/54/73/13/344547313.db2.gz SVXTZSBHNKIPJV-PWSUYJOCSA-N 1 0 262.313 2.029 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227331343 344552325 /nfs/dbraw/zinc/55/23/25/344552325.db2.gz JKZZDQAHGAOBAI-GXSJLCMTSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(CO)c2)cc1 ZINC000227471044 344553354 /nfs/dbraw/zinc/55/33/54/344553354.db2.gz AIEITBGHCVTDAW-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000228560348 344560939 /nfs/dbraw/zinc/56/09/39/344560939.db2.gz LTOMINKOZCRIHJ-LLVKDONJSA-N 1 0 274.280 2.378 20 5 CEBDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235524173 344591493 /nfs/dbraw/zinc/59/14/93/344591493.db2.gz JNKRNLUXFNRJOF-AAEUAGOBSA-N 1 0 263.341 2.388 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CC[NH2+]C1 ZINC000236049685 344594260 /nfs/dbraw/zinc/59/42/60/344594260.db2.gz BDVRGZHJCHUCGI-MRVPVSSYSA-N 1 0 256.689 2.237 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000050370361 362416791 /nfs/dbraw/zinc/41/67/91/362416791.db2.gz JYIOGOHQQYSEBJ-CHWSQXEVSA-N 1 0 250.298 2.252 20 5 CEBDRO CCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000052926307 362475310 /nfs/dbraw/zinc/47/53/10/362475310.db2.gz RXMYQXFAYQGYHF-UHFFFAOYSA-N 1 0 260.297 2.101 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)CCCCC1 ZINC000053096244 362481784 /nfs/dbraw/zinc/48/17/84/362481784.db2.gz OQAQOGQVHXPJCB-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053437062 362493864 /nfs/dbraw/zinc/49/38/64/362493864.db2.gz AKIJKWPJYVTEOQ-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272392782 344667939 /nfs/dbraw/zinc/66/79/39/344667939.db2.gz YFWRGCZWBCFRPZ-GDBMZVCRSA-N 1 0 289.379 2.163 20 5 CEBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252861276 344642416 /nfs/dbraw/zinc/64/24/16/344642416.db2.gz NJTRPTMUUYFPLE-UBHSHLNASA-N 1 0 275.352 2.467 20 5 CEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000313874265 344744080 /nfs/dbraw/zinc/74/40/80/344744080.db2.gz MELGLFLUMCFWCS-OCCSQVGLSA-N 1 0 291.351 2.119 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1C[NH+]2CCC1CC2 ZINC000315293189 344747877 /nfs/dbraw/zinc/74/78/77/344747877.db2.gz JGZKDYMKDLODNT-HNNXBMFYSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(CO)CCCC3)nc2c1 ZINC000305244655 344710066 /nfs/dbraw/zinc/71/00/66/344710066.db2.gz SJULOVZOBZLJEK-UHFFFAOYSA-N 1 0 291.307 2.131 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602556465 347075545 /nfs/dbraw/zinc/07/55/45/347075545.db2.gz UMXRUJUHXARVMH-GXFFZTMASA-N 1 0 291.351 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCF)nc2c1 ZINC000602566118 347081061 /nfs/dbraw/zinc/08/10/61/347081061.db2.gz DLKRQVUMOHJZTG-UHFFFAOYSA-N 1 0 253.233 2.185 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401187232 344867337 /nfs/dbraw/zinc/86/73/37/344867337.db2.gz NEOHPNPFEQZLHR-MNOVXSKESA-N 1 0 280.303 2.168 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000407303503 344885812 /nfs/dbraw/zinc/88/58/12/344885812.db2.gz CFUMVXYCGFAQDC-STQMWFEESA-N 1 0 289.335 2.372 20 5 CEBDRO CSC[C@@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000584585969 344959700 /nfs/dbraw/zinc/95/97/00/344959700.db2.gz FVFKRKCNYCBEMC-AWEZNQCLSA-N 1 0 298.408 2.231 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000586775282 345020611 /nfs/dbraw/zinc/02/06/11/345020611.db2.gz YRBQUJQJHOOORZ-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589114303 345066776 /nfs/dbraw/zinc/06/67/76/345066776.db2.gz WBSKPAJPFCVNAY-SNVBAGLBSA-N 1 0 298.774 2.351 20 5 CEBDRO Cc1cc(C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000602578229 347086125 /nfs/dbraw/zinc/08/61/25/347086125.db2.gz LUWZSOYRWBFADL-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052501 345111264 /nfs/dbraw/zinc/11/12/64/345111264.db2.gz DAPSLQRBYKQYSL-ZFWWWQNUSA-N 1 0 275.352 2.039 20 5 CEBDRO CC/C=C\C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658983 345157088 /nfs/dbraw/zinc/15/70/88/345157088.db2.gz YJJLKTGORFKDPD-ARJAWSKDSA-N 1 0 278.308 2.422 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000591146291 345224264 /nfs/dbraw/zinc/22/42/64/345224264.db2.gz XTOAYNXYYWICIX-JTQLQIEISA-N 1 0 280.303 2.025 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160944 345226656 /nfs/dbraw/zinc/22/66/56/345226656.db2.gz MVDCCNUCAIRBQX-CMPLNLGQSA-N 1 0 294.330 2.192 20 5 CEBDRO Cc1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000591442891 345256370 /nfs/dbraw/zinc/25/63/70/345256370.db2.gz IWJJHULNPNCUOK-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591428492 345251399 /nfs/dbraw/zinc/25/13/99/345251399.db2.gz OVLCSOYYWCHMDT-ZYHUDNBSSA-N 1 0 286.335 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000591439454 345254866 /nfs/dbraw/zinc/25/48/66/345254866.db2.gz VGNBCLFKXQKBKP-IAQYHMDHSA-N 1 0 298.346 2.331 20 5 CEBDRO CC[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581214 345266743 /nfs/dbraw/zinc/26/67/43/345266743.db2.gz NYEYZIDORDDNQF-OBJOEFQTSA-N 1 0 281.331 2.336 20 5 CEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374394 345346776 /nfs/dbraw/zinc/34/67/76/345346776.db2.gz DTJSUWNEFWYGCG-DGCLKSJQSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000592374443 345347545 /nfs/dbraw/zinc/34/75/45/345347545.db2.gz GYVWVTIMGJUYEM-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375776 345347620 /nfs/dbraw/zinc/34/76/20/345347620.db2.gz ZSUKGBFLFLITKS-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@H]([NH2+]CCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392887 345349535 /nfs/dbraw/zinc/34/95/35/345349535.db2.gz CJWZWWYBODDBBJ-AWEZNQCLSA-N 1 0 289.339 2.007 20 5 CEBDRO COc1ccc(CN2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592432447 345352792 /nfs/dbraw/zinc/35/27/92/345352792.db2.gz JNGQCMXSQOJTAU-CYBMUJFWSA-N 1 0 293.367 2.033 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047781 345428707 /nfs/dbraw/zinc/42/87/07/345428707.db2.gz DSIQYFNENDZLJU-WCQYABFASA-N 1 0 296.367 2.490 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492691 345637294 /nfs/dbraw/zinc/63/72/94/345637294.db2.gz YCXLFVCFMKOCGY-JOYOIKCWSA-N 1 0 250.298 2.207 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCn2ccnc21 ZINC000594496893 345638323 /nfs/dbraw/zinc/63/83/23/345638323.db2.gz ZCWYGMRPQRFJTQ-CYBMUJFWSA-N 1 0 286.335 2.459 20 5 CEBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594515391 345642220 /nfs/dbraw/zinc/64/22/20/345642220.db2.gz PNKNOJUXJKFLRL-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000594710220 345676414 /nfs/dbraw/zinc/67/64/14/345676414.db2.gz JPJDYZUKCUKTMT-BXUZGUMPSA-N 1 0 282.340 2.297 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000594736087 345681771 /nfs/dbraw/zinc/68/17/71/345681771.db2.gz PGMDGDXECKLAAB-SNPRPXQTSA-N 1 0 289.379 2.258 20 5 CEBDRO [NH3+][C@H]1CCCCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602580119 347086906 /nfs/dbraw/zinc/08/69/06/347086906.db2.gz NDRJMRDZEYGLAE-JTQLQIEISA-N 1 0 295.314 2.077 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C/C=C\CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071655 345739299 /nfs/dbraw/zinc/73/92/99/345739299.db2.gz PSILMJXAOMJVOP-VQTKUKTRSA-N 1 0 276.336 2.455 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595229754 345746436 /nfs/dbraw/zinc/74/64/36/345746436.db2.gz FHOHKVQWSYMKIA-GFCCVEGCSA-N 1 0 280.328 2.090 20 5 CEBDRO Cc1cc(NC(=O)NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000595230369 345746485 /nfs/dbraw/zinc/74/64/85/345746485.db2.gz FXCGJBNSWFOQIU-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH3+] ZINC000595228751 345746819 /nfs/dbraw/zinc/74/68/19/345746819.db2.gz KIIAWOCIWMBDFS-PELKAZGASA-N 1 0 297.742 2.058 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CO1 ZINC000594920957 345702617 /nfs/dbraw/zinc/70/26/17/345702617.db2.gz NHOHMCDOKAQAHL-AAEUAGOBSA-N 1 0 280.324 2.261 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950982 345714496 /nfs/dbraw/zinc/71/44/96/345714496.db2.gz LQZICFUELVKVRY-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)C2CCC2)c(Cl)c1 ZINC000594956611 345715705 /nfs/dbraw/zinc/71/57/05/345715705.db2.gz LUOMFQJVEQSTIL-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594957546 345716389 /nfs/dbraw/zinc/71/63/89/345716389.db2.gz SNDJIEFQPBEHCC-CYBMUJFWSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594966150 345719404 /nfs/dbraw/zinc/71/94/04/345719404.db2.gz NQKSHTQAVPYANM-FVOPLDGLSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000184648468 539483793 /nfs/dbraw/zinc/48/37/93/539483793.db2.gz UJCZKHXATQUNGA-JTQLQIEISA-N 1 0 291.351 2.362 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000595036131 345732374 /nfs/dbraw/zinc/73/23/74/345732374.db2.gz PNEKHHGCBDOFIV-NXEZZACHSA-N 1 0 266.297 2.043 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000595039640 345733090 /nfs/dbraw/zinc/73/30/90/345733090.db2.gz UPDZHLAOHRUHAL-VXGBXAGGSA-N 1 0 295.383 2.452 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000595066848 345738503 /nfs/dbraw/zinc/73/85/03/345738503.db2.gz FOIZDEAIMBWDFX-BYCRGOAPSA-N 1 0 250.298 2.102 20 5 CEBDRO Cc1noc(C[NH2+][C@@](C)(CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595334764 345764059 /nfs/dbraw/zinc/76/40/59/345764059.db2.gz VVXGSHDTWASRQM-AWEZNQCLSA-N 1 0 297.355 2.312 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595448633 345785340 /nfs/dbraw/zinc/78/53/40/345785340.db2.gz LQIHZGJQRJDVLK-CYBMUJFWSA-N 1 0 268.288 2.081 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000595487972 345793765 /nfs/dbraw/zinc/79/37/65/345793765.db2.gz ADJOYIKCXVUNPF-CYBMUJFWSA-N 1 0 282.315 2.375 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595752491 345866928 /nfs/dbraw/zinc/86/69/28/345866928.db2.gz KUGILNQDVCUQEX-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595765426 345870231 /nfs/dbraw/zinc/87/02/31/345870231.db2.gz KYMZAKJZPJTFLG-SCDSUCTJSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595773951 345873314 /nfs/dbraw/zinc/87/33/14/345873314.db2.gz YEGDBGCTQRJKRZ-SWLSCSKDSA-N 1 0 294.351 2.209 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873715 345903811 /nfs/dbraw/zinc/90/38/11/345903811.db2.gz MTBFTSSCDMXWPJ-IAQYHMDHSA-N 1 0 294.351 2.054 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595932184 345914901 /nfs/dbraw/zinc/91/49/01/345914901.db2.gz MLJMAASZCRYXHC-CQSZACIVSA-N 1 0 291.351 2.084 20 5 CEBDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCC1 ZINC000595941548 345916027 /nfs/dbraw/zinc/91/60/27/345916027.db2.gz RTADHIFMQGNDTN-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000596016334 345923627 /nfs/dbraw/zinc/92/36/27/345923627.db2.gz QCLGAACMFZZXSI-NXEZZACHSA-N 1 0 265.313 2.156 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596093687 345938525 /nfs/dbraw/zinc/93/85/25/345938525.db2.gz DKOUIFSHOVDUIO-SNVBAGLBSA-N 1 0 298.774 2.209 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCCF ZINC000596095552 345938865 /nfs/dbraw/zinc/93/88/65/345938865.db2.gz RGLNVLQGKYOOCJ-GFCCVEGCSA-N 1 0 284.331 2.492 20 5 CEBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596126256 345945727 /nfs/dbraw/zinc/94/57/27/345945727.db2.gz LKAFXUVAQFIJPH-JTQLQIEISA-N 1 0 269.370 2.353 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596128117 345946258 /nfs/dbraw/zinc/94/62/58/345946258.db2.gz DVUAFLPBFOHUFG-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000596244830 345979070 /nfs/dbraw/zinc/97/90/70/345979070.db2.gz SYMGOBPORCZGFF-RYUDHWBXSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+](C)C)[C@@H]2C)n1 ZINC000596246498 345979545 /nfs/dbraw/zinc/97/95/45/345979545.db2.gz WEYNUHWMZYXFRY-NWDGAFQWSA-N 1 0 278.356 2.135 20 5 CEBDRO C[NH+](C)C1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596276795 345989604 /nfs/dbraw/zinc/98/96/04/345989604.db2.gz DZRKKLREDLFKLS-UHFFFAOYSA-N 1 0 298.774 2.350 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596298725 345993954 /nfs/dbraw/zinc/99/39/54/345993954.db2.gz MVQPRFXWFOZWMS-UHFFFAOYSA-N 1 0 294.355 2.006 20 5 CEBDRO CN(CCC[NH+](C)C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596425690 346020205 /nfs/dbraw/zinc/02/02/05/346020205.db2.gz VBIRXCFNFBLOEG-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO C[C@@H](CCNc1nc2ccccc2cc1[N+](=O)[O-])[NH+](C)C ZINC000596428660 346020674 /nfs/dbraw/zinc/02/06/74/346020674.db2.gz GFIJMGMNSWLJCS-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)CCO ZINC000295122800 199356428 /nfs/dbraw/zinc/35/64/28/199356428.db2.gz NMWODHPCEGVNOM-GFCCVEGCSA-N 1 0 296.367 2.492 20 5 CEBDRO C[C@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000596453327 346027619 /nfs/dbraw/zinc/02/76/19/346027619.db2.gz JGJWCHUBHXKLLL-SNVBAGLBSA-N 1 0 280.328 2.057 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000596452726 346027730 /nfs/dbraw/zinc/02/77/30/346027730.db2.gz FXTANBPDTHFQIM-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596821345 346093762 /nfs/dbraw/zinc/09/37/62/346093762.db2.gz TVXWYGXHZJDZGR-LLVKDONJSA-N 1 0 294.355 2.365 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053091 346120900 /nfs/dbraw/zinc/12/09/00/346120900.db2.gz PCBWWRLSSFXNKP-DOMZBBRYSA-N 1 0 292.335 2.261 20 5 CEBDRO Cc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000597122300 346131420 /nfs/dbraw/zinc/13/14/20/346131420.db2.gz XLNIXYCIMPJSAE-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCc2nn[nH]c2C1 ZINC000597250029 346162202 /nfs/dbraw/zinc/16/22/02/346162202.db2.gz QMSICAMYSFXAME-XFFZJAGNSA-N 1 0 299.334 2.175 20 5 CEBDRO Cc1ccc(C[N@@H+](C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597254838 346162776 /nfs/dbraw/zinc/16/27/76/346162776.db2.gz MGNPASIGSOEIRN-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO CC[C@H]([NH2+]CCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000061375774 362678355 /nfs/dbraw/zinc/67/83/55/362678355.db2.gz CLPQAKDMQONISU-HNNXBMFYSA-N 1 0 295.383 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1nccs1 ZINC000060942194 362672786 /nfs/dbraw/zinc/67/27/86/362672786.db2.gz QWUYQVQMDMUUEU-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000598341913 346332093 /nfs/dbraw/zinc/33/20/93/346332093.db2.gz IEQPBOKDTGBTOS-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000270688333 190772958 /nfs/dbraw/zinc/77/29/58/190772958.db2.gz WWHWBTSIBCTDNL-KBPBESRZSA-N 1 0 295.408 2.072 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676749 346398364 /nfs/dbraw/zinc/39/83/64/346398364.db2.gz KEFWSCZSXZKNTM-BXUZGUMPSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000598651811 346394145 /nfs/dbraw/zinc/39/41/45/346394145.db2.gz WBACVSJAOQJARG-PWSUYJOCSA-N 1 0 282.315 2.184 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913238 346433497 /nfs/dbraw/zinc/43/34/97/346433497.db2.gz FYUSLWODRDXJDC-VIFPVBQESA-N 1 0 298.318 2.373 20 5 CEBDRO CC(C)([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915424 346433808 /nfs/dbraw/zinc/43/38/08/346433808.db2.gz LSVDZLAHBRFZLN-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598988380 346442668 /nfs/dbraw/zinc/44/26/68/346442668.db2.gz QTPBJMIAVMLHCL-JOYOIKCWSA-N 1 0 268.338 2.313 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066529 346454867 /nfs/dbraw/zinc/45/48/67/346454867.db2.gz RRYZWNXMKWQNSM-ZNMIVQPWSA-N 1 0 294.351 2.175 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599082867 346457425 /nfs/dbraw/zinc/45/74/25/346457425.db2.gz VGSWACKJDLVLII-FOGDFJRCSA-N 1 0 280.324 2.025 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](C)C1 ZINC000599137633 346465801 /nfs/dbraw/zinc/46/58/01/346465801.db2.gz AFERTOQYXKZDBH-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000599138905 346466506 /nfs/dbraw/zinc/46/65/06/346466506.db2.gz JVVNHTWJEPJHOW-SNVBAGLBSA-N 1 0 298.774 2.209 20 5 CEBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602602815 347096323 /nfs/dbraw/zinc/09/63/23/347096323.db2.gz BUYJEUFPFHHPSL-UHFFFAOYSA-N 1 0 291.307 2.395 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000599639737 346551014 /nfs/dbraw/zinc/55/10/14/346551014.db2.gz OCKBRUGBFSRMSW-GOEBONIOSA-N 1 0 290.363 2.498 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268952323 232548428 /nfs/dbraw/zinc/54/84/28/232548428.db2.gz SUECFKUKTZAGAD-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600710060 346675307 /nfs/dbraw/zinc/67/53/07/346675307.db2.gz NSVDVRMSKGNLCU-NQBHXWOUSA-N 1 0 263.341 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(F)c1 ZINC000600678601 346671915 /nfs/dbraw/zinc/67/19/15/346671915.db2.gz MBSXWQZDZFGOJT-ZDUSSCGKSA-N 1 0 279.315 2.108 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000600313500 346633603 /nfs/dbraw/zinc/63/36/03/346633603.db2.gz YLCOVEINWJBRSN-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129344890 365849336 /nfs/dbraw/zinc/84/93/36/365849336.db2.gz ODAUPDBISQNRGI-JEOXALJRSA-N 1 0 284.381 2.150 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H](O)C(F)F ZINC000601147534 346769133 /nfs/dbraw/zinc/76/91/33/346769133.db2.gz QWYQOUHJJUVJKH-FHMRSRPSSA-N 1 0 286.278 2.214 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccsc1[N+](=O)[O-] ZINC000601160207 346772962 /nfs/dbraw/zinc/77/29/62/346772962.db2.gz USKWVRLTRKTDEG-SNVBAGLBSA-N 1 0 287.385 2.161 20 5 CEBDRO CC[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000601170784 346776674 /nfs/dbraw/zinc/77/66/74/346776674.db2.gz FIZVDHGUFIPTIV-JOYOIKCWSA-N 1 0 275.308 2.136 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601192744 346782579 /nfs/dbraw/zinc/78/25/79/346782579.db2.gz ZWRPTQUJPSDLME-JTQLQIEISA-N 1 0 282.319 2.414 20 5 CEBDRO COc1cccnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602681066 347142075 /nfs/dbraw/zinc/14/20/75/347142075.db2.gz JCDIGNJQAMTATM-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)C)C1 ZINC000602786178 347198007 /nfs/dbraw/zinc/19/80/07/347198007.db2.gz CHANQLLPYAWEBW-GFCCVEGCSA-N 1 0 266.345 2.078 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cccn1 ZINC000064139258 362780787 /nfs/dbraw/zinc/78/07/87/362780787.db2.gz NMCIEFIEQQKJIV-LBPRGKRZSA-N 1 0 274.324 2.484 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cnccc1C ZINC000602808724 347207977 /nfs/dbraw/zinc/20/79/77/347207977.db2.gz ZAWXQHWFNMRDRA-NSHDSACASA-N 1 0 289.339 2.154 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602730586 347175206 /nfs/dbraw/zinc/17/52/06/347175206.db2.gz QYGTTZQNEHNYLQ-CZMCAQCFSA-N 1 0 277.280 2.003 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752775 347185869 /nfs/dbraw/zinc/18/58/69/347185869.db2.gz UJMSLOVXUOKAEL-OAHLLOKOSA-N 1 0 275.352 2.121 20 5 CEBDRO CCC[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602761227 347187788 /nfs/dbraw/zinc/18/77/88/347187788.db2.gz DYAZTUORYWILIO-JTQLQIEISA-N 1 0 254.334 2.220 20 5 CEBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845194 347222557 /nfs/dbraw/zinc/22/25/57/347222557.db2.gz GEXRLWVVNKRZCY-QWRGUYRKSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[C@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218948 347311761 /nfs/dbraw/zinc/31/17/61/347311761.db2.gz OGJMYPVVEUEPDS-KOLCDFICSA-N 1 0 275.312 2.205 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000603865769 347393456 /nfs/dbraw/zinc/39/34/56/347393456.db2.gz PNLXAKFBGCAQTE-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000129654490 365883131 /nfs/dbraw/zinc/88/31/31/365883131.db2.gz XGYASAUXALFXDW-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609317267 347634059 /nfs/dbraw/zinc/63/40/59/347634059.db2.gz QTUXRGDNZVMLCO-UHFFFAOYSA-N 1 0 296.367 2.314 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CNC(C)(C)C[NH+](C)C ZINC000459555981 290177768 /nfs/dbraw/zinc/17/77/68/290177768.db2.gz HNXMIGADJKLTCX-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538831 347690454 /nfs/dbraw/zinc/69/04/54/347690454.db2.gz GUOZHSFWUYTPHZ-QWHCGFSZSA-N 1 0 294.351 2.299 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000610715934 347705730 /nfs/dbraw/zinc/70/57/30/347705730.db2.gz GVUIXTJDMQBHHT-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000610782718 347714251 /nfs/dbraw/zinc/71/42/51/347714251.db2.gz PIZFQTPGDYRFNP-UHFFFAOYSA-N 1 0 278.312 2.133 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000610284229 347669720 /nfs/dbraw/zinc/66/97/20/347669720.db2.gz TVBJZYYAOLXCNC-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO CCOc1cc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611297253 347763959 /nfs/dbraw/zinc/76/39/59/347763959.db2.gz LHGOMNBYUJHMMG-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383710 347771373 /nfs/dbraw/zinc/77/13/73/347771373.db2.gz OKYZLNBQJSVTGY-LLVKDONJSA-N 1 0 287.319 2.144 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CC1CC1 ZINC000611108293 347739619 /nfs/dbraw/zinc/73/96/19/347739619.db2.gz ZFVBPDZQVZNMJB-MFBWXBCUSA-N 1 0 276.336 2.359 20 5 CEBDRO CO[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611984179 347831526 /nfs/dbraw/zinc/83/15/26/347831526.db2.gz PDLCLODNCKEJJI-ZDUSSCGKSA-N 1 0 280.324 2.301 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=CCC1 ZINC000611517187 347789638 /nfs/dbraw/zinc/78/96/38/347789638.db2.gz GXDOLAYXBHBUNJ-UHFFFAOYSA-N 1 0 289.335 2.494 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000612652187 347912883 /nfs/dbraw/zinc/91/28/83/347912883.db2.gz ALEJDZCDXWYPOL-AWEZNQCLSA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612745185 347923089 /nfs/dbraw/zinc/92/30/89/347923089.db2.gz BQUWPMVTCZLKAR-CQSZACIVSA-N 1 0 291.307 2.083 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000336924746 365952518 /nfs/dbraw/zinc/95/25/18/365952518.db2.gz KGDFNPPELVMVFI-VIFPVBQESA-N 1 0 284.385 2.006 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011376 179378872 /nfs/dbraw/zinc/37/88/72/179378872.db2.gz QXYKBWAEJGPLSD-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000339434697 215167132 /nfs/dbraw/zinc/16/71/32/215167132.db2.gz WMPQYRRQBQZNQF-CQSZACIVSA-N 1 0 293.367 2.154 20 5 CEBDRO Cc1c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000128836730 187393508 /nfs/dbraw/zinc/39/35/08/187393508.db2.gz UBYVDPZORLPYPC-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273383051 192134317 /nfs/dbraw/zinc/13/43/17/192134317.db2.gz CGQFBTVMUVXENE-LBPRGKRZSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000616866033 348581048 /nfs/dbraw/zinc/58/10/48/348581048.db2.gz IIWRSCXYUSHHLB-AWEZNQCLSA-N 1 0 280.324 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)cn1 ZINC000450455107 282618809 /nfs/dbraw/zinc/61/88/09/282618809.db2.gz NBLQKPXEXXHXBN-AWEZNQCLSA-N 1 0 290.367 2.445 20 5 CEBDRO C[N@H+]1C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000618826186 349047044 /nfs/dbraw/zinc/04/70/44/349047044.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 1 0 287.363 2.101 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339574589 215250844 /nfs/dbraw/zinc/25/08/44/215250844.db2.gz PPJWYQUSSOVVOJ-MNOVXSKESA-N 1 0 277.324 2.264 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC)C1 ZINC000619478941 349187250 /nfs/dbraw/zinc/18/72/50/349187250.db2.gz MNQBLFZVVGLXMD-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000619531342 349194704 /nfs/dbraw/zinc/19/47/04/349194704.db2.gz QAJFAWOVDISILD-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692266 180024689 /nfs/dbraw/zinc/02/46/89/180024689.db2.gz WIGQPZDQCFWUIV-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720986 180031439 /nfs/dbraw/zinc/03/14/39/180031439.db2.gz GIDRIXQCXJHTJO-WCQYABFASA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090721707 180031836 /nfs/dbraw/zinc/03/18/36/180031836.db2.gz SQWVXWYDNQTYST-AAEUAGOBSA-N 1 0 263.341 2.167 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104686198 186013892 /nfs/dbraw/zinc/01/38/92/186013892.db2.gz ZUCMCYJEXCOFRR-NSHDSACASA-N 1 0 291.351 2.214 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091985337 180297820 /nfs/dbraw/zinc/29/78/20/180297820.db2.gz AWCKBYWKSDPASK-WAFBPQNNSA-N 1 0 292.335 2.349 20 5 CEBDRO Cc1ccc(C[NH2+]CCSCCCO)cc1[N+](=O)[O-] ZINC000105643659 186067450 /nfs/dbraw/zinc/06/74/50/186067450.db2.gz LSHTZEINZRRHIN-UHFFFAOYSA-N 1 0 284.381 2.108 20 5 CEBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@@H]21 ZINC000339721060 215313018 /nfs/dbraw/zinc/31/30/18/215313018.db2.gz VERHMDYVQSOAGK-RYUDHWBXSA-N 1 0 278.356 2.302 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092209875 180344576 /nfs/dbraw/zinc/34/45/76/180344576.db2.gz XDIGRNZRKQEPCB-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000106366016 186110212 /nfs/dbraw/zinc/11/02/12/186110212.db2.gz XJWGYGPQDYWJGX-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106908647 186149608 /nfs/dbraw/zinc/14/96/08/186149608.db2.gz FITLRJFFFILWIW-BXUZGUMPSA-N 1 0 293.367 2.358 20 5 CEBDRO CC1(C2CC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352200258 219356974 /nfs/dbraw/zinc/35/69/74/219356974.db2.gz JZBGPAFKGDQUGQ-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504604 186257314 /nfs/dbraw/zinc/25/73/14/186257314.db2.gz NOVIJSCDXMWDAU-HTQZYQBOSA-N 1 0 262.269 2.096 20 5 CEBDRO Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000110646739 186308639 /nfs/dbraw/zinc/30/86/39/186308639.db2.gz IGIAGGRKOFWEPT-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804428 186274159 /nfs/dbraw/zinc/27/41/59/186274159.db2.gz HFDJZCYKGRHHKK-OAHLLOKOSA-N 1 0 277.368 2.163 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111829586 186461417 /nfs/dbraw/zinc/46/14/17/186461417.db2.gz PRPAUJILULIBAI-NSHDSACASA-N 1 0 280.328 2.090 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCO)CC1 ZINC000339783322 215338277 /nfs/dbraw/zinc/33/82/77/215338277.db2.gz QIZWSLZGSLVVCE-LBPRGKRZSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074602 363027388 /nfs/dbraw/zinc/02/73/88/363027388.db2.gz MZMHJHAGFUJQLE-RYUDHWBXSA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000070146127 363037009 /nfs/dbraw/zinc/03/70/09/363037009.db2.gz QCLVHIAEVPRAHF-KCJUWKMLSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000070176769 363048857 /nfs/dbraw/zinc/04/88/57/363048857.db2.gz XOWOQESWINCNGV-QMTHXVAHSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000291602168 198046923 /nfs/dbraw/zinc/04/69/23/198046923.db2.gz BXJHUGNNBZXCAH-OAHLLOKOSA-N 1 0 286.335 2.281 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121838399 186999482 /nfs/dbraw/zinc/99/94/82/186999482.db2.gz USSWZMRQXOZKDY-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317675 187026228 /nfs/dbraw/zinc/02/62/28/187026228.db2.gz MACBIAHMIHGWBW-AAEUAGOBSA-N 1 0 275.352 2.310 20 5 CEBDRO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177295 187076067 /nfs/dbraw/zinc/07/60/67/187076067.db2.gz CITZOJRSOVBZHX-GJZGRUSLSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)n1 ZINC000124244228 187127913 /nfs/dbraw/zinc/12/79/13/187127913.db2.gz RWUWEPMKTRYFKW-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291936145 198110031 /nfs/dbraw/zinc/11/00/31/198110031.db2.gz TVXHLJYDMHBMID-LSDHHAIUSA-N 1 0 294.351 2.128 20 5 CEBDRO CN(CC[NH+](C)C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292064686 198149878 /nfs/dbraw/zinc/14/98/78/198149878.db2.gz WTRKXBQAMQCYRT-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000134430796 187748692 /nfs/dbraw/zinc/74/86/92/187748692.db2.gz JEAOSMCXFKGUOW-AWEZNQCLSA-N 1 0 280.368 2.476 20 5 CEBDRO CC[NH+](CC)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000136290310 187873637 /nfs/dbraw/zinc/87/36/37/187873637.db2.gz BJMACMJFTNAGTH-UHFFFAOYSA-N 1 0 295.339 2.135 20 5 CEBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000292263724 198223048 /nfs/dbraw/zinc/22/30/48/198223048.db2.gz RPPAKNGBLLAHAV-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671762 191269157 /nfs/dbraw/zinc/26/91/57/191269157.db2.gz AZGGXBLPADPEGP-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO CCCCC[N@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154255153 188131856 /nfs/dbraw/zinc/13/18/56/188131856.db2.gz LGGHLWJGCRYYNW-HNNXBMFYSA-N 1 0 296.367 2.113 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000159262418 188417483 /nfs/dbraw/zinc/41/74/83/188417483.db2.gz NRTVSRKCMZMMFS-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337241811 366100258 /nfs/dbraw/zinc/10/02/58/366100258.db2.gz GDZYHULMPZJMFX-NSHDSACASA-N 1 0 277.324 2.265 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295284741 199440085 /nfs/dbraw/zinc/44/00/85/199440085.db2.gz TYPIWGBNJVSDEM-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO Cc1c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451624921 283055770 /nfs/dbraw/zinc/05/57/70/283055770.db2.gz BWBFOUONGJULOI-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000451624978 283056001 /nfs/dbraw/zinc/05/60/01/283056001.db2.gz SEQRRIWMDNRVKG-ZIAGYGMSSA-N 1 0 280.324 2.131 20 5 CEBDRO CC[C@@H]([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000271777427 191320557 /nfs/dbraw/zinc/32/05/57/191320557.db2.gz KENFWZTWNQARCE-CQSZACIVSA-N 1 0 291.351 2.258 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375051816 283078960 /nfs/dbraw/zinc/07/89/60/283078960.db2.gz XEEASZBEYQSVFR-QMTHXVAHSA-N 1 0 279.315 2.264 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963987 283153077 /nfs/dbraw/zinc/15/30/77/283153077.db2.gz IKPZSCJZWYEJMF-CYBMUJFWSA-N 1 0 296.396 2.010 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273631597 192238377 /nfs/dbraw/zinc/23/83/77/192238377.db2.gz QMWYBOPSKRLFBE-LLVKDONJSA-N 1 0 279.344 2.061 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452041272 283168338 /nfs/dbraw/zinc/16/83/38/283168338.db2.gz CDBUUCRWWNVBQO-OXJKWZBOSA-N 1 0 290.367 2.196 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075842342 363491956 /nfs/dbraw/zinc/49/19/56/363491956.db2.gz OFYJFUDJASSJFD-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076329401 363538770 /nfs/dbraw/zinc/53/87/70/363538770.db2.gz BKSMJIFCFNMRBZ-ZDUSSCGKSA-N 1 0 292.339 2.057 20 5 CEBDRO CS[C@H]1CCCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134571311 366341530 /nfs/dbraw/zinc/34/15/30/366341530.db2.gz IIMZVNGBRHXTFX-NSHDSACASA-N 1 0 284.385 2.009 20 5 CEBDRO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527693 299263198 /nfs/dbraw/zinc/26/31/98/299263198.db2.gz QZGXLPWESFQWMK-RISCZKNCSA-N 1 0 277.368 2.369 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286393640 291127799 /nfs/dbraw/zinc/12/77/99/291127799.db2.gz PDCNFVHEVODWDM-AAEUAGOBSA-N 1 0 290.367 2.240 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414487260 236383523 /nfs/dbraw/zinc/38/35/23/236383523.db2.gz VEOXZVOWIJFHED-SNVBAGLBSA-N 1 0 270.304 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)CCCO ZINC000294819768 199198850 /nfs/dbraw/zinc/19/88/50/199198850.db2.gz ORUIBGJVBGILGF-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274626658 192694028 /nfs/dbraw/zinc/69/40/28/192694028.db2.gz AXRWQPNTYLHFFO-SNVBAGLBSA-N 1 0 296.346 2.094 20 5 CEBDRO CC(C)(CO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000294829794 199201800 /nfs/dbraw/zinc/20/18/00/199201800.db2.gz PUYBSNZUDWCKGH-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO CCC[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000294913277 199245267 /nfs/dbraw/zinc/24/52/67/199245267.db2.gz BRRVERAZXVBGGR-ZDUSSCGKSA-N 1 0 266.341 2.230 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415425531 236670408 /nfs/dbraw/zinc/67/04/08/236670408.db2.gz CKMPEEWVEHDJSK-CABZTGNLSA-N 1 0 292.339 2.023 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000338667997 366460838 /nfs/dbraw/zinc/46/08/38/366460838.db2.gz RJHFNYUCZFCGAI-CQSZACIVSA-N 1 0 279.340 2.356 20 5 CEBDRO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338792369 366524691 /nfs/dbraw/zinc/52/46/91/366524691.db2.gz GYKDHJMRNYMLBO-NXEZZACHSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1cnc(OCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000578766509 366546869 /nfs/dbraw/zinc/54/68/69/366546869.db2.gz XXZMDDMMIMRYJH-UHFFFAOYSA-N 1 0 265.313 2.067 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000138845616 366553640 /nfs/dbraw/zinc/55/36/40/366553640.db2.gz OTKOEQFUARJXMD-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000149697989 366590717 /nfs/dbraw/zinc/59/07/17/366590717.db2.gz QSOLBMZEBMOXDQ-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC1 ZINC000297921576 200304942 /nfs/dbraw/zinc/30/49/42/200304942.db2.gz QJNIUBMLGHSBKE-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000151220560 366630674 /nfs/dbraw/zinc/63/06/74/366630674.db2.gz OUDJSICTZXCZRV-GZMMTYOYSA-N 1 0 292.257 2.477 20 5 CEBDRO C[N@@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000298000206 200315074 /nfs/dbraw/zinc/31/50/74/200315074.db2.gz XVJKJLSSAIOIRJ-UHFFFAOYSA-N 1 0 285.294 2.011 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081521837 363724689 /nfs/dbraw/zinc/72/46/89/363724689.db2.gz CBMVLYQOPBPEFD-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000177850131 189074177 /nfs/dbraw/zinc/07/41/77/189074177.db2.gz LIMWFKSXHZIZDV-NSHDSACASA-N 1 0 254.334 2.159 20 5 CEBDRO C[C@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179568543 189203277 /nfs/dbraw/zinc/20/32/77/189203277.db2.gz OYMGBLXVNZXQON-JTQLQIEISA-N 1 0 266.297 2.008 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427410 189254907 /nfs/dbraw/zinc/25/49/07/189254907.db2.gz NLIWOQSQKJZYPY-WDEREUQCSA-N 1 0 279.340 2.160 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000339528230 366702156 /nfs/dbraw/zinc/70/21/56/366702156.db2.gz PUGZBSHDNVXAOF-CYBMUJFWSA-N 1 0 268.288 2.249 20 5 CEBDRO COCCCOCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000181524120 189298947 /nfs/dbraw/zinc/29/89/47/189298947.db2.gz XMNJGWFHRLBLFV-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000339571493 366706868 /nfs/dbraw/zinc/70/68/68/366706868.db2.gz KHOXMVSEXOUDAQ-VHSXEESVSA-N 1 0 250.298 2.444 20 5 CEBDRO CCOc1cc(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301949605 201273330 /nfs/dbraw/zinc/27/33/30/201273330.db2.gz FSJBKFHIYVQGLJ-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000302022542 201305360 /nfs/dbraw/zinc/30/53/60/201305360.db2.gz OOBJDDAHXNISPF-UHFFFAOYSA-N 1 0 255.293 2.122 20 5 CEBDRO C[C@H](CCCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088503554 363902762 /nfs/dbraw/zinc/90/27/62/363902762.db2.gz FMOIOYXFZWXNAC-SECBINFHSA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089106773 363931176 /nfs/dbraw/zinc/93/11/76/363931176.db2.gz XZWXWHLTJHWYCZ-DGCLKSJQSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000356977097 291300245 /nfs/dbraw/zinc/30/02/45/291300245.db2.gz CFEJEHCMCDEFMD-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C1CC1)C1CCCC1 ZINC000090529898 364061654 /nfs/dbraw/zinc/06/16/54/364061654.db2.gz SJNQJSDTAWXQGX-UHFFFAOYSA-N 1 0 291.351 2.164 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000090795239 364065030 /nfs/dbraw/zinc/06/50/30/364065030.db2.gz ALQGAHCTZYPHEN-JQWIXIFHSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1c(CN(C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000093874384 364239225 /nfs/dbraw/zinc/23/92/25/364239225.db2.gz IAXGYVKQYYFBAU-UHFFFAOYSA-N 1 0 265.357 2.320 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000093991131 364245938 /nfs/dbraw/zinc/24/59/38/364245938.db2.gz XMPXEKGFERIYDQ-OLZOCXBDSA-N 1 0 291.351 2.116 20 5 CEBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)COC1 ZINC000094722194 364290661 /nfs/dbraw/zinc/29/06/61/364290661.db2.gz CZWSCLCZWORCTR-UHFFFAOYSA-N 1 0 270.716 2.374 20 5 CEBDRO C[NH+]1CCC(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000094771839 364293948 /nfs/dbraw/zinc/29/39/48/364293948.db2.gz RSJVHHRNYHXCJN-UHFFFAOYSA-N 1 0 289.339 2.225 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094802023 364296540 /nfs/dbraw/zinc/29/65/40/364296540.db2.gz YRRUOFNQRVXAJT-CQSZACIVSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102436451 364594911 /nfs/dbraw/zinc/59/49/11/364594911.db2.gz VLLPLCJXXHKCMA-UHFFFAOYSA-N 1 0 294.355 2.447 20 5 CEBDRO COCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112352440 364797638 /nfs/dbraw/zinc/79/76/38/364797638.db2.gz ZDDPYYDTPLUTLW-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000112379444 364802786 /nfs/dbraw/zinc/80/27/86/364802786.db2.gz WINXGDGIGCXMPU-SMDDNHRTSA-N 1 0 266.341 2.482 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000115443684 365006001 /nfs/dbraw/zinc/00/60/01/365006001.db2.gz WHGASJSXOKKJJE-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275376444 193012912 /nfs/dbraw/zinc/01/29/12/193012912.db2.gz ABGVKAFSHXHWKZ-CYBMUJFWSA-N 1 0 264.325 2.188 20 5 CEBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275460252 193045231 /nfs/dbraw/zinc/04/52/31/193045231.db2.gz NEXXKYIOIUNBMK-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000275791674 193130287 /nfs/dbraw/zinc/13/02/87/193130287.db2.gz LDUQCPCIGCEDRA-LLVKDONJSA-N 1 0 293.367 2.398 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000159252104 366894902 /nfs/dbraw/zinc/89/49/02/366894902.db2.gz XLQXAHUYEYZLAC-WCQYABFASA-N 1 0 264.325 2.330 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCCCCCC1 ZINC000159700389 366940016 /nfs/dbraw/zinc/94/00/16/366940016.db2.gz ZMWODSFANXAGPZ-UHFFFAOYSA-N 1 0 279.340 2.023 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000160618679 367022118 /nfs/dbraw/zinc/02/21/18/367022118.db2.gz KUZLTLQMVNETPD-JTQLQIEISA-N 1 0 252.314 2.325 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000340861372 367063525 /nfs/dbraw/zinc/06/35/25/367063525.db2.gz ARTBFBYOEFTRQM-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@@H](O)[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000161728272 367108477 /nfs/dbraw/zinc/10/84/77/367108477.db2.gz FXFOQGJODYQLKY-KOLCDFICSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100071 367172130 /nfs/dbraw/zinc/17/21/30/367172130.db2.gz KUEREHKJLOIJFP-RYUDHWBXSA-N 1 0 278.356 2.087 20 5 CEBDRO CC[NH+](CC)CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162591603 367172713 /nfs/dbraw/zinc/17/27/13/367172713.db2.gz PWDCZDIQSTVGMG-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000162726607 367183766 /nfs/dbraw/zinc/18/37/66/367183766.db2.gz LLQRPZLFOCTBFF-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000162840295 367194939 /nfs/dbraw/zinc/19/49/39/367194939.db2.gz DVGWVEIXVTUUPD-AAEUAGOBSA-N 1 0 291.351 2.223 20 5 CEBDRO C[NH+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341177978 367208968 /nfs/dbraw/zinc/20/89/68/367208968.db2.gz AXBQNAFUKKJZGY-UHFFFAOYSA-N 1 0 277.368 2.368 20 5 CEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000163274490 367228805 /nfs/dbraw/zinc/22/88/05/367228805.db2.gz WDATVHINMXODTR-GXTWGEPZSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163446722 367240466 /nfs/dbraw/zinc/24/04/66/367240466.db2.gz XJXHMUSTONPBOU-ONGXEEELSA-N 1 0 269.370 2.073 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572512414 299375644 /nfs/dbraw/zinc/37/56/44/299375644.db2.gz SCNPXJXKUUXLBG-LBPRGKRZSA-N 1 0 277.324 2.312 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172977817 367852186 /nfs/dbraw/zinc/85/21/86/367852186.db2.gz FNFLUCAHHYYSFJ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173054761 367864975 /nfs/dbraw/zinc/86/49/75/367864975.db2.gz XXFCOZWEJFTOHT-NSHDSACASA-N 1 0 293.367 2.301 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000172856663 367830012 /nfs/dbraw/zinc/83/00/12/367830012.db2.gz UVWUQKRKSUHTLB-GHMZBOCLSA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173380755 367903822 /nfs/dbraw/zinc/90/38/22/367903822.db2.gz AIEOGSGDWIDEKW-NSHDSACASA-N 1 0 293.323 2.088 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000343587364 367901595 /nfs/dbraw/zinc/90/15/95/367901595.db2.gz FYTBVZGRUIVKDT-NSHDSACASA-N 1 0 254.334 2.206 20 5 CEBDRO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174358182 368015033 /nfs/dbraw/zinc/01/50/33/368015033.db2.gz BWDOJSUHDUSTST-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000176193212 368209848 /nfs/dbraw/zinc/20/98/48/368209848.db2.gz CLHQKLCCVFEELM-SECBINFHSA-N 1 0 292.261 2.066 20 5 CEBDRO COc1cccc(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000185425238 368806207 /nfs/dbraw/zinc/80/62/07/368806207.db2.gz QNNNIVZPRHKOOG-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678340 368842293 /nfs/dbraw/zinc/84/22/93/368842293.db2.gz SHXZWVQWSUDYRK-MFKMUULPSA-N 1 0 291.351 2.314 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347138831 368799099 /nfs/dbraw/zinc/79/90/99/368799099.db2.gz VBPZFGQNTZSVAL-UYWPIULCSA-N 1 0 287.363 2.434 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185810094 368864819 /nfs/dbraw/zinc/86/48/19/368864819.db2.gz LWPZDMRCHHUOAV-JDGPPOGSSA-N 1 0 250.298 2.012 20 5 CEBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000348146316 368919811 /nfs/dbraw/zinc/91/98/11/368919811.db2.gz USYAVVIRBBDAGN-STQMWFEESA-N 1 0 294.351 2.378 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330736576 203170609 /nfs/dbraw/zinc/17/06/09/203170609.db2.gz MFKNDXUPUSMOKS-HNNXBMFYSA-N 1 0 278.352 2.494 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000189612657 369547841 /nfs/dbraw/zinc/54/78/41/369547841.db2.gz JHKLIPRLLDLJRR-CQSZACIVSA-N 1 0 282.315 2.471 20 5 CEBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000231362122 189812866 /nfs/dbraw/zinc/81/28/66/189812866.db2.gz NKLQQVOQBMUZRA-UHFFFAOYSA-N 1 0 290.323 2.026 20 5 CEBDRO COCCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189677445 369557418 /nfs/dbraw/zinc/55/74/18/369557418.db2.gz UOQBUDOVDLPDPU-WFASDCNBSA-N 1 0 294.351 2.393 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000276306135 193281255 /nfs/dbraw/zinc/28/12/55/193281255.db2.gz YWRZYXOEJLIYDA-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[NH+](C)C ZINC000276475372 193346302 /nfs/dbraw/zinc/34/63/02/193346302.db2.gz ZNBPXWQNUIBJLB-UHFFFAOYSA-N 1 0 294.355 2.237 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192470126 369816353 /nfs/dbraw/zinc/81/63/53/369816353.db2.gz ILAVGBZUOFZHEH-JTQLQIEISA-N 1 0 284.385 2.219 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCCC[C@H]1C ZINC000192498267 369820112 /nfs/dbraw/zinc/82/01/12/369820112.db2.gz BCQLRCMVNUZZGZ-LLVKDONJSA-N 1 0 295.387 2.406 20 5 CEBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352767878 369875390 /nfs/dbraw/zinc/87/53/90/369875390.db2.gz DAMJBCMGRPSWRN-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[NH+](CC)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193366663 369933204 /nfs/dbraw/zinc/93/32/04/369933204.db2.gz RLKYQYKDDNIKRT-UHFFFAOYSA-N 1 0 266.345 2.321 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000352910220 369944884 /nfs/dbraw/zinc/94/48/84/369944884.db2.gz KNTHGUKYSHVYQL-ZDUSSCGKSA-N 1 0 270.304 2.231 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000353122653 370026347 /nfs/dbraw/zinc/02/63/47/370026347.db2.gz VQINDJJRVKYDFI-WCBMZHEXSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194360469 370029147 /nfs/dbraw/zinc/02/91/47/370029147.db2.gz NPQZZQFGHRRDRX-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C=Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000194350882 370029623 /nfs/dbraw/zinc/02/96/23/370029623.db2.gz AXVNUXNFLHIVFP-UHFFFAOYSA-N 1 0 272.308 2.224 20 5 CEBDRO CCCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360992 370030948 /nfs/dbraw/zinc/03/09/48/370030948.db2.gz CWJBMQXFTKGZKE-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028189 369990128 /nfs/dbraw/zinc/99/01/28/369990128.db2.gz PJDOAYCDGBBGBG-ZFWWWQNUSA-N 1 0 294.351 2.065 20 5 CEBDRO COc1ccc(C[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353208754 370073419 /nfs/dbraw/zinc/07/34/19/370073419.db2.gz LGBKUOPUVXJKFV-UHFFFAOYSA-N 1 0 294.229 2.229 20 5 CEBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000354009776 370176414 /nfs/dbraw/zinc/17/64/14/370176414.db2.gz VVNDNUAXBVPZGV-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000221258359 370240074 /nfs/dbraw/zinc/24/00/74/370240074.db2.gz IJUGBFVGLGACHZ-JTQLQIEISA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(Cl)c1 ZINC000221948612 370247306 /nfs/dbraw/zinc/24/73/06/370247306.db2.gz SYSJBOQXVKGURA-SMDDNHRTSA-N 1 0 295.770 2.432 20 5 CEBDRO CCc1cccc(F)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000354419992 370356207 /nfs/dbraw/zinc/35/62/07/370356207.db2.gz RJWQVEINXKHXAY-UHFFFAOYSA-N 1 0 292.314 2.283 20 5 CEBDRO C[N@@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889684 370388002 /nfs/dbraw/zinc/38/80/02/370388002.db2.gz JHJQHAIWZZOSDP-QMMMGPOBSA-N 1 0 271.267 2.237 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CCSC1 ZINC000226383359 370339998 /nfs/dbraw/zinc/33/99/98/370339998.db2.gz WBLUTMMXTVWUQR-NSHDSACASA-N 1 0 266.366 2.480 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233358687 370518090 /nfs/dbraw/zinc/51/80/90/370518090.db2.gz LFISWJAEKICBCP-JSGCOSHPSA-N 1 0 282.340 2.033 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856891 370496236 /nfs/dbraw/zinc/49/62/36/370496236.db2.gz BCUSXCDFTJLUGV-GFCCVEGCSA-N 1 0 279.340 2.037 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235118916 370556991 /nfs/dbraw/zinc/55/69/91/370556991.db2.gz RXOLZJATEXGYCW-ZETCQYMHSA-N 1 0 259.256 2.235 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235440550 370565961 /nfs/dbraw/zinc/56/59/61/370565961.db2.gz HLDFEWXXNQQEEC-LDYMZIIASA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1F ZINC000236247947 370585908 /nfs/dbraw/zinc/58/59/08/370585908.db2.gz MVICCQZXZBTJHC-JSGCOSHPSA-N 1 0 280.299 2.391 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000236797214 370630485 /nfs/dbraw/zinc/63/04/85/370630485.db2.gz UTWVTGUOAQJSQT-AWEZNQCLSA-N 1 0 293.367 2.459 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321136 371012794 /nfs/dbraw/zinc/01/27/94/371012794.db2.gz QQPAKLOURNRPBF-PWSUYJOCSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958075 371038078 /nfs/dbraw/zinc/03/80/78/371038078.db2.gz LAVJXZSVMBTOOJ-WFASDCNBSA-N 1 0 277.368 2.415 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358836712 371241507 /nfs/dbraw/zinc/24/15/07/371241507.db2.gz ZGMNSQCXAMHMPS-NXEZZACHSA-N 1 0 298.314 2.411 20 5 CEBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000249744098 371358231 /nfs/dbraw/zinc/35/82/31/371358231.db2.gz BCZRPONZAYWBND-STQMWFEESA-N 1 0 294.351 2.473 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252674853 371466704 /nfs/dbraw/zinc/46/67/04/371466704.db2.gz UUKLPXGHLSQYBJ-JQWIXIFHSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000252733312 371474909 /nfs/dbraw/zinc/47/49/09/371474909.db2.gz YUKUKGCSOGWEBT-FDMGOTLNSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@H](CCNc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000361058389 371625708 /nfs/dbraw/zinc/62/57/08/371625708.db2.gz PIKYUMMUUCIHDW-GFCCVEGCSA-N 1 0 278.356 2.088 20 5 CEBDRO C[NH2+]C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261577878 371659740 /nfs/dbraw/zinc/65/97/40/371659740.db2.gz CXIUGZKLJUKFEL-NSHDSACASA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1c(CN2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736927 371714090 /nfs/dbraw/zinc/71/40/90/371714090.db2.gz LTBRUEWFNBIDGZ-OAHLLOKOSA-N 1 0 275.352 2.089 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000266395215 372045211 /nfs/dbraw/zinc/04/52/11/372045211.db2.gz OOLLEMCWDIWDDL-GFCCVEGCSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000344190927 217090629 /nfs/dbraw/zinc/09/06/29/217090629.db2.gz XXQSTICJXUQCBO-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000362027766 372178824 /nfs/dbraw/zinc/17/88/24/372178824.db2.gz OKTYNALTJHEVJA-DZGCQCFKSA-N 1 0 294.351 2.187 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CSCC[NH+](C)C ZINC000362339299 372320191 /nfs/dbraw/zinc/32/01/91/372320191.db2.gz JZCIJWBBVPGLFA-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344430335 217190042 /nfs/dbraw/zinc/19/00/42/217190042.db2.gz JPVGIIYDGVRKJJ-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000270170658 372687374 /nfs/dbraw/zinc/68/73/74/372687374.db2.gz UHVCLXQWJZVKEU-TZMCWYRMSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364316415 372725199 /nfs/dbraw/zinc/72/51/99/372725199.db2.gz LZRCLESJESUAKJ-ZWNOBZJWSA-N 1 0 262.309 2.113 20 5 CEBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344573936 217235225 /nfs/dbraw/zinc/23/52/25/217235225.db2.gz DICSUEZLHLWQED-YPMHNXCESA-N 1 0 296.367 2.490 20 5 CEBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270651145 372883579 /nfs/dbraw/zinc/88/35/79/372883579.db2.gz LVIUXZFMGDGKRW-KBPBESRZSA-N 1 0 295.408 2.072 20 5 CEBDRO CCN(C)C(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344788494 217312501 /nfs/dbraw/zinc/31/25/01/217312501.db2.gz FUVKMGVXBNMJTJ-XYOKQWHBSA-N 1 0 291.351 2.066 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[S@@](C)=O ZINC000344816574 217320259 /nfs/dbraw/zinc/32/02/59/217320259.db2.gz RULBQXPSAHZQHV-JPHGTCLYSA-N 1 0 296.392 2.355 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[S@](C)=O ZINC000344816571 217320335 /nfs/dbraw/zinc/32/03/35/217320335.db2.gz RULBQXPSAHZQHV-DDFUAVOFSA-N 1 0 296.392 2.355 20 5 CEBDRO CCN(CCC[NH+](C)C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000344790670 217313014 /nfs/dbraw/zinc/31/30/14/217313014.db2.gz ICBRQNYMZCIIIW-UHFFFAOYSA-N 1 0 280.372 2.385 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000271078673 373108172 /nfs/dbraw/zinc/10/81/72/373108172.db2.gz IBTBVGHCWFFDGD-DIECRNLCSA-N 1 0 290.319 2.103 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3cscn3)C2)c1 ZINC000369008719 373312247 /nfs/dbraw/zinc/31/22/47/373312247.db2.gz LJAKNCJOCLQXHI-LLVKDONJSA-N 1 0 293.352 2.085 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581016 373562433 /nfs/dbraw/zinc/56/24/33/373562433.db2.gz GRVPZHSVXCRJMT-HOCLYGCPSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272581018 373562675 /nfs/dbraw/zinc/56/26/75/373562675.db2.gz GRVPZHSVXCRJMT-ZBFHGGJFSA-N 1 0 289.379 2.429 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+]2CCC1CC2 ZINC000372764723 374193377 /nfs/dbraw/zinc/19/33/77/374193377.db2.gz HRLMCBQEEMFTDG-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276579956 374234307 /nfs/dbraw/zinc/23/43/07/374234307.db2.gz ILKHESISKRUDRE-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276836375 374320240 /nfs/dbraw/zinc/32/02/40/374320240.db2.gz BOWONQJIDLDWBS-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO CCOc1cc(C[N@H+](CCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000276977871 374367571 /nfs/dbraw/zinc/36/75/71/374367571.db2.gz XXBGFMNIXMAIAE-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCOCC2)cc1 ZINC000374028338 374471432 /nfs/dbraw/zinc/47/14/32/374471432.db2.gz YZIMIRDNOMVNFG-UHFFFAOYSA-N 1 0 280.324 2.086 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279710029 374962318 /nfs/dbraw/zinc/96/23/18/374962318.db2.gz HWIGJVFNZJMOFB-MFKMUULPSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911600 375249988 /nfs/dbraw/zinc/24/99/88/375249988.db2.gz RCAHKWDARZRECY-ONGXEEELSA-N 1 0 284.743 2.451 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000408168913 375421035 /nfs/dbraw/zinc/42/10/35/375421035.db2.gz JXHTZPNUXUOQQS-DGCLKSJQSA-N 1 0 292.383 2.383 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000408168912 375421749 /nfs/dbraw/zinc/42/17/49/375421749.db2.gz JXHTZPNUXUOQQS-AAEUAGOBSA-N 1 0 292.383 2.383 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC(C)(C)CC1 ZINC000408310212 375449401 /nfs/dbraw/zinc/44/94/01/375449401.db2.gz QVGWDRPOPHSEQS-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282400678 375476121 /nfs/dbraw/zinc/47/61/21/375476121.db2.gz HRWXQPYRWBRXQF-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCO1 ZINC000282609059 375529183 /nfs/dbraw/zinc/52/91/83/375529183.db2.gz YQODGMBOQIEKIA-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414656221 375904994 /nfs/dbraw/zinc/90/49/94/375904994.db2.gz IBTJUHNYKFWYOP-CMPLNLGQSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000414661305 375906807 /nfs/dbraw/zinc/90/68/07/375906807.db2.gz PMFHIPIOSXYKCF-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO [NH3+]C[C@H]1CCCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414805242 375991835 /nfs/dbraw/zinc/99/18/35/375991835.db2.gz PKPKCUDIBLSYII-MNOVXSKESA-N 1 0 269.370 2.263 20 5 CEBDRO C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305725975 376457420 /nfs/dbraw/zinc/45/74/20/376457420.db2.gz LLODNUHAYJNBIG-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O ZINC000305847278 376518696 /nfs/dbraw/zinc/51/86/96/376518696.db2.gz SXIRLVUEDYFAIZ-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO COc1cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305878407 376524780 /nfs/dbraw/zinc/52/47/80/376524780.db2.gz SNHNIRLKUFSTTP-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000289772051 376494158 /nfs/dbraw/zinc/49/41/58/376494158.db2.gz XQWGKIFBDMYOGJ-OCCSQVGLSA-N 1 0 291.351 2.476 20 5 CEBDRO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000557466931 376557182 /nfs/dbraw/zinc/55/71/82/376557182.db2.gz FIYAGCSWULKDRO-RYUDHWBXSA-N 1 0 293.367 2.012 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000311015832 376649737 /nfs/dbraw/zinc/64/97/37/376649737.db2.gz BENDKLINOKIUBJ-SNVBAGLBSA-N 1 0 252.318 2.130 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000311780496 376687270 /nfs/dbraw/zinc/68/72/70/376687270.db2.gz XERREHBHLASGGO-ZDUSSCGKSA-N 1 0 268.288 2.393 20 5 CEBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCOC1 ZINC000311841529 376689098 /nfs/dbraw/zinc/68/90/98/376689098.db2.gz GZROEEYPVZNBSS-CYBMUJFWSA-N 1 0 268.288 2.393 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000311951428 376695713 /nfs/dbraw/zinc/69/57/13/376695713.db2.gz MUYZCTVFLAREAL-STQMWFEESA-N 1 0 264.325 2.500 20 5 CEBDRO CC(C)C[C@@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000290459064 376787848 /nfs/dbraw/zinc/78/78/48/376787848.db2.gz TZHGUANTGSCZSA-LLVKDONJSA-N 1 0 254.334 2.063 20 5 CEBDRO CC(=O)c1cc(N2CCn3cncc3C2)ccc1[N+](=O)[O-] ZINC000290629466 376857601 /nfs/dbraw/zinc/85/76/01/376857601.db2.gz GZZJSAZIAZTTGZ-UHFFFAOYSA-N 1 0 286.291 2.014 20 5 CEBDRO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422943412 376871229 /nfs/dbraw/zinc/87/12/29/376871229.db2.gz LJKCPDMSJVEZQT-WCQYABFASA-N 1 0 263.341 2.073 20 5 CEBDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145678 377044714 /nfs/dbraw/zinc/04/47/14/377044714.db2.gz LZAVDKMQHARWRZ-DYEKYZERSA-N 1 0 293.367 2.012 20 5 CEBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000330514073 377166497 /nfs/dbraw/zinc/16/64/97/377166497.db2.gz DJAWUMMAEIAVTC-UONOGXRCSA-N 1 0 294.351 2.139 20 5 CEBDRO CC(C)C[C@@H](CN)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259207 377179149 /nfs/dbraw/zinc/17/91/49/377179149.db2.gz DGBQQJQCUWKQBD-OCCSQVGLSA-N 1 0 279.384 2.489 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568203 377187774 /nfs/dbraw/zinc/18/77/74/377187774.db2.gz LQERCGQXUWHGKZ-RAIGVLPGSA-N 1 0 291.351 2.160 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](NCC2C[NH2+]C2)c2ccccc2)c1 ZINC000423299060 377228280 /nfs/dbraw/zinc/22/82/80/377228280.db2.gz AZXIGZSSGHNWGL-KRWDZBQOSA-N 1 0 297.358 2.493 20 5 CEBDRO CC1(C)C[C@H](NCC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423336661 377268566 /nfs/dbraw/zinc/26/85/66/377268566.db2.gz XXCGSDIAPSSMMZ-AWEZNQCLSA-N 1 0 275.352 2.126 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000331021978 377243625 /nfs/dbraw/zinc/24/36/25/377243625.db2.gz SLZRYGOAOZFKIP-HUUCEWRRSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264995363 190150510 /nfs/dbraw/zinc/15/05/10/190150510.db2.gz UMSAPGJQMBHJCB-JTQLQIEISA-N 1 0 267.304 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1ccnn1 ZINC000574365528 299488509 /nfs/dbraw/zinc/48/85/09/299488509.db2.gz VLHNLMSTKVXGID-LBPRGKRZSA-N 1 0 289.339 2.236 20 5 CEBDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000332078225 377512015 /nfs/dbraw/zinc/51/20/15/377512015.db2.gz HEUIJIZDGMHPGA-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000332225581 377547035 /nfs/dbraw/zinc/54/70/35/377547035.db2.gz KKEFVGBBXUSXLP-KCQAQPDRSA-N 1 0 276.336 2.188 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265734822 190202779 /nfs/dbraw/zinc/20/27/79/190202779.db2.gz AUIJLYYKVUDMAL-GFCCVEGCSA-N 1 0 250.298 2.063 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265734824 190202783 /nfs/dbraw/zinc/20/27/83/190202783.db2.gz AUIJLYYKVUDMAL-LBPRGKRZSA-N 1 0 250.298 2.063 20 5 CEBDRO CC(C)SCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332656523 377656754 /nfs/dbraw/zinc/65/67/54/377656754.db2.gz AORBMYDANQFMNM-UHFFFAOYSA-N 1 0 281.381 2.490 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000293638871 377672813 /nfs/dbraw/zinc/67/28/13/377672813.db2.gz JONUNEQJPLNECA-CYBMUJFWSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898795 377814754 /nfs/dbraw/zinc/81/47/54/377814754.db2.gz WIRMKSHULAULJT-GHMZBOCLSA-N 1 0 289.339 2.113 20 5 CEBDRO C[C@@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438983442 377916880 /nfs/dbraw/zinc/91/68/80/377916880.db2.gz BXKOADCOPOYUIE-LLVKDONJSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@@H]1C ZINC000443515064 378057745 /nfs/dbraw/zinc/05/77/45/378057745.db2.gz JDUGIPDOIHKPJX-UWVGGRQHSA-N 1 0 284.385 2.148 20 5 CEBDRO CC(C)OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597334 378124739 /nfs/dbraw/zinc/12/47/39/378124739.db2.gz FCAMXJSSXDRNDP-STQMWFEESA-N 1 0 296.371 2.290 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295427624 378152535 /nfs/dbraw/zinc/15/25/35/378152535.db2.gz ULNTZYNGQFOIQX-NSHDSACASA-N 1 0 279.340 2.112 20 5 CEBDRO Cc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450348480 378368848 /nfs/dbraw/zinc/36/88/48/378368848.db2.gz KZFNAKUNJXMHJU-JTQLQIEISA-N 1 0 281.360 2.081 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450367269 378379179 /nfs/dbraw/zinc/37/91/79/378379179.db2.gz VXTBVNHRMXYHBB-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296520281 378561325 /nfs/dbraw/zinc/56/13/25/378561325.db2.gz PXFXNLWSXFPSOQ-GHMZBOCLSA-N 1 0 281.356 2.236 20 5 CEBDRO C[NH2+]C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000347022478 218094022 /nfs/dbraw/zinc/09/40/22/218094022.db2.gz OOGUIPAADQPWGY-XQRVVYSFSA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CCSC2)c1 ZINC000278582520 194055802 /nfs/dbraw/zinc/05/58/02/194055802.db2.gz YQVRTZUTAHFBAT-GFCCVEGCSA-N 1 0 266.366 2.480 20 5 CEBDRO C[NH2+]C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000347069215 218112554 /nfs/dbraw/zinc/11/25/54/218112554.db2.gz OQWYJUXGFPZKNX-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000519550388 379434210 /nfs/dbraw/zinc/43/42/10/379434210.db2.gz XBCDTZOGGNAKPJ-UHFFFAOYSA-N 1 0 265.313 2.264 20 5 CEBDRO COCCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489391853 380183423 /nfs/dbraw/zinc/18/34/23/380183423.db2.gz ATIKMRBNXLODIP-TZMCWYRMSA-N 1 0 294.351 2.221 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489436157 380188727 /nfs/dbraw/zinc/18/87/27/380188727.db2.gz LSXXLMVEGNBTCK-SWLSCSKDSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)/C=C\C[NH+](C)C)cc1[N+](=O)[O-] ZINC000492072359 380439431 /nfs/dbraw/zinc/43/94/31/380439431.db2.gz IITXXJSIZJBNSB-FJOGCWAESA-N 1 0 291.351 2.198 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)/C=C/C[NH+](C)C)cc1[N+](=O)[O-] ZINC000492072352 380439660 /nfs/dbraw/zinc/43/96/60/380439660.db2.gz IITXXJSIZJBNSB-BTDICHCPSA-N 1 0 291.351 2.198 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492326754 380520181 /nfs/dbraw/zinc/52/01/81/380520181.db2.gz XRUJXBARHQMVAL-YFHOEESVSA-N 1 0 291.351 2.018 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493030977 380771732 /nfs/dbraw/zinc/77/17/32/380771732.db2.gz HNPIROOMSBAABT-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078097 380868284 /nfs/dbraw/zinc/86/82/84/380868284.db2.gz PNDRLTKRFNJYKQ-VXGBXAGGSA-N 1 0 296.371 2.026 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493514014 381032296 /nfs/dbraw/zinc/03/22/96/381032296.db2.gz DAYZERZBGFWHTR-FPLPWBNLSA-N 1 0 291.351 2.112 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000344427048 285122953 /nfs/dbraw/zinc/12/29/53/285122953.db2.gz YQOLMTFXEOOZSS-AWEZNQCLSA-N 1 0 290.367 2.445 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252862782 285154033 /nfs/dbraw/zinc/15/40/33/285154033.db2.gz KTVQUBDJRUKSJA-BHDSKKPTSA-N 1 0 296.754 2.451 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094949213 184901994 /nfs/dbraw/zinc/90/19/94/184901994.db2.gz KQMOAGRQBDUOMR-LLVKDONJSA-N 1 0 252.314 2.093 20 5 CEBDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815914 195393467 /nfs/dbraw/zinc/39/34/67/195393467.db2.gz ZIFFGOWAAOCRQM-OCCSQVGLSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316233 533497812 /nfs/dbraw/zinc/49/78/12/533497812.db2.gz UCNDRQGULFUBOM-IINYFYTJSA-N 1 0 291.351 2.216 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)s1 ZINC000189683918 130008284 /nfs/dbraw/zinc/00/82/84/130008284.db2.gz YNHZUVIKRBHGQU-UHFFFAOYSA-N 1 0 270.358 2.339 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000192044855 130357864 /nfs/dbraw/zinc/35/78/64/130357864.db2.gz WGJFORXGDXFFRO-RYUDHWBXSA-N 1 0 293.367 2.017 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192724354 130540265 /nfs/dbraw/zinc/54/02/65/130540265.db2.gz ZQWWANXWVHSXJG-QMTHXVAHSA-N 1 0 264.325 2.190 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237447310 131032533 /nfs/dbraw/zinc/03/25/33/131032533.db2.gz RIEQKILXVVNLMA-AAEUAGOBSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000261834753 131171933 /nfs/dbraw/zinc/17/19/33/131171933.db2.gz UZCBXUSBBNTHDZ-NSHDSACASA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1nn(C[C@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000413005814 394458833 /nfs/dbraw/zinc/45/88/33/394458833.db2.gz XARKBARXELWPIL-GFCCVEGCSA-N 1 0 266.345 2.363 20 5 CEBDRO CON1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421206002 394493337 /nfs/dbraw/zinc/49/33/37/394493337.db2.gz HWFTXBJUAUDBJD-NSHDSACASA-N 1 0 279.340 2.271 20 5 CEBDRO Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000421364417 394511508 /nfs/dbraw/zinc/51/15/08/394511508.db2.gz RZCGPXROGKXLFR-SMDDNHRTSA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421400016 394524039 /nfs/dbraw/zinc/52/40/39/394524039.db2.gz JIRMMMHQYBDGGR-CQSZACIVSA-N 1 0 262.309 2.268 20 5 CEBDRO Cc1nc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413348579 394532589 /nfs/dbraw/zinc/53/25/89/394532589.db2.gz ORSJMWYTLSWRIM-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311210659 394536857 /nfs/dbraw/zinc/53/68/57/394536857.db2.gz OXEUIGBOAJLDAF-BXKDBHETSA-N 1 0 269.370 2.073 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000413441470 394552749 /nfs/dbraw/zinc/55/27/49/394552749.db2.gz POOLZGLCOCZJFF-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000356949486 394659644 /nfs/dbraw/zinc/65/96/44/394659644.db2.gz SEWZVZGVDFHKLP-MDUKQBBOSA-N 1 0 276.336 2.311 20 5 CEBDRO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421853538 394616381 /nfs/dbraw/zinc/61/63/81/394616381.db2.gz JCQHFJRFHPLGMJ-ZDUSSCGKSA-N 1 0 291.351 2.291 20 5 CEBDRO CC1(C)C[C@@H](N[C@@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550248 394631796 /nfs/dbraw/zinc/63/17/96/394631796.db2.gz IHYBRUJFRHKDSH-QMTHXVAHSA-N 1 0 275.352 2.269 20 5 CEBDRO COC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000086697687 394644545 /nfs/dbraw/zinc/64/45/45/394644545.db2.gz UZEPKLUDJAIHKF-SNVBAGLBSA-N 1 0 258.343 2.417 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422718001 394737847 /nfs/dbraw/zinc/73/78/47/394737847.db2.gz WNVJXFYZUVIFLU-LBPRGKRZSA-N 1 0 291.351 2.152 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414836060 394761587 /nfs/dbraw/zinc/76/15/87/394761587.db2.gz HYVGIIXZFBERCB-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000414857144 394773807 /nfs/dbraw/zinc/77/38/07/394773807.db2.gz OYSIIWBXFSBAQP-QWRGUYRKSA-N 1 0 281.331 2.212 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628121 394776164 /nfs/dbraw/zinc/77/61/64/394776164.db2.gz MRUUXRLFSBWQPV-DOMZBBRYSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@@]1(CNCc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414904140 394798044 /nfs/dbraw/zinc/79/80/44/394798044.db2.gz MVWPUJBUBSUGOD-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414940750 394814331 /nfs/dbraw/zinc/81/43/31/394814331.db2.gz XXIRPGJRCALYLL-RNCFNFMXSA-N 1 0 283.759 2.336 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000415047689 394863980 /nfs/dbraw/zinc/86/39/80/394863980.db2.gz FLLJMKCRDFXRSW-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000414986519 394837712 /nfs/dbraw/zinc/83/77/12/394837712.db2.gz HOUIMGVVGBZAKF-JTQLQIEISA-N 1 0 293.701 2.320 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]CCC1(F)F ZINC000414995487 394841525 /nfs/dbraw/zinc/84/15/25/394841525.db2.gz FQCRRWQLTLXXMF-HSBHDXMMSA-N 1 0 297.305 2.195 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000128909573 394855746 /nfs/dbraw/zinc/85/57/46/394855746.db2.gz GXQUXVWJBNUAMW-LBPRGKRZSA-N 1 0 293.367 2.301 20 5 CEBDRO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368719 394903348 /nfs/dbraw/zinc/90/33/48/394903348.db2.gz FJODAWBATLIJSC-WZRBSPASSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132098436 394924689 /nfs/dbraw/zinc/92/46/89/394924689.db2.gz ZLMFRXSVAPXVGZ-ZDUSSCGKSA-N 1 0 293.367 2.269 20 5 CEBDRO CC1(C)C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc([N+](=O)[O-])ccc21 ZINC000423455745 394924749 /nfs/dbraw/zinc/92/47/49/394924749.db2.gz MSPFWGWVVUHQCG-OSRDXIQISA-N 1 0 287.363 2.125 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000285321352 394956193 /nfs/dbraw/zinc/95/61/93/394956193.db2.gz IYHHAPJXZBIZAI-OKILXGFUSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335827 395020920 /nfs/dbraw/zinc/02/09/20/395020920.db2.gz LSRLQHPGIYIEBU-UWVGGRQHSA-N 1 0 282.369 2.114 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423615410 394958381 /nfs/dbraw/zinc/95/83/81/394958381.db2.gz RAUKWBJQZAEYLA-DGCLKSJQSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423739938 394973204 /nfs/dbraw/zinc/97/32/04/394973204.db2.gz IRLVJCLIVQDNQZ-VXGBXAGGSA-N 1 0 291.351 2.069 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000150254689 394974151 /nfs/dbraw/zinc/97/41/51/394974151.db2.gz ICDYPIUAKFWBSM-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000166695607 395087367 /nfs/dbraw/zinc/08/73/67/395087367.db2.gz UXDRGRWOWVDRQE-LLVKDONJSA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000168714222 395088234 /nfs/dbraw/zinc/08/82/34/395088234.db2.gz ADBZLOFYVFEKAY-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000172718570 395106379 /nfs/dbraw/zinc/10/63/79/395106379.db2.gz ZEGREYGFZDGCPQ-HNNXBMFYSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176237943 395137745 /nfs/dbraw/zinc/13/77/45/395137745.db2.gz AXFBQABFSSWONG-LLVKDONJSA-N 1 0 290.323 2.190 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000351925659 395240988 /nfs/dbraw/zinc/24/09/88/395240988.db2.gz FFRFCOCXYNIQBV-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294970795 395281819 /nfs/dbraw/zinc/28/18/19/395281819.db2.gz OICVCBRIYTUDJM-LLVKDONJSA-N 1 0 290.367 2.219 20 5 CEBDRO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000184318657 395272165 /nfs/dbraw/zinc/27/21/65/395272165.db2.gz ZZOQOGYBUUFTAJ-LBPRGKRZSA-N 1 0 298.314 2.257 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420628934 395393270 /nfs/dbraw/zinc/39/32/70/395393270.db2.gz BPBCQYSUHFQKSW-NSHDSACASA-N 1 0 289.339 2.002 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000296827758 395331823 /nfs/dbraw/zinc/33/18/23/395331823.db2.gz RLOQZPIQIZLNAV-BETUJISGSA-N 1 0 298.346 2.141 20 5 CEBDRO Cc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1F ZINC000444745878 395451488 /nfs/dbraw/zinc/45/14/88/395451488.db2.gz TXNMLAOJFDZGDL-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000193067238 395400515 /nfs/dbraw/zinc/40/05/15/395400515.db2.gz QECQJSDSJUAEMB-ZDUSSCGKSA-N 1 0 291.351 2.073 20 5 CEBDRO CC[N@H+](CCNC(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000194578281 395442448 /nfs/dbraw/zinc/44/24/48/395442448.db2.gz NIYRPUYGYBFGPH-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC[C@H]1O ZINC000567890654 395539521 /nfs/dbraw/zinc/53/95/21/395539521.db2.gz QGNBQJNRVPSZCF-OASPWFOLSA-N 1 0 250.298 2.077 20 5 CEBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ncc[nH]1 ZINC000226777044 153339387 /nfs/dbraw/zinc/33/93/87/153339387.db2.gz RAWKXPWGPZYGRC-ZCFIWIBFSA-N 1 0 253.287 2.338 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228088981 153359762 /nfs/dbraw/zinc/35/97/62/153359762.db2.gz MOFUKNHLBDQGBQ-DCAQKATOSA-N 1 0 252.314 2.405 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930035 153372055 /nfs/dbraw/zinc/37/20/55/153372055.db2.gz OGXMTGLHASCVIT-MNOVXSKESA-N 1 0 279.340 2.159 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000261694200 153812251 /nfs/dbraw/zinc/81/22/51/153812251.db2.gz HUQJFIVZHUEIDV-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1nc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268455332 154143137 /nfs/dbraw/zinc/14/31/37/154143137.db2.gz GSJCGHQFAMUTLV-JQWIXIFHSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[NH2+]CC1 ZINC000332361279 154221525 /nfs/dbraw/zinc/22/15/25/154221525.db2.gz TYJQRNUPRGLNKQ-UHFFFAOYSA-N 1 0 292.339 2.039 20 5 CEBDRO Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695193 154290444 /nfs/dbraw/zinc/29/04/44/154290444.db2.gz YUFZNHNVLQDLKM-YPMHNXCESA-N 1 0 263.341 2.072 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C(F)(F)F)cs1 ZINC000349326137 154313719 /nfs/dbraw/zinc/31/37/19/154313719.db2.gz CXDHIYUKUKAWRQ-ZETCQYMHSA-N 1 0 284.259 2.059 20 5 CEBDRO CC(=O)c1cc(N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000376473246 157227563 /nfs/dbraw/zinc/22/75/63/157227563.db2.gz HBNGQYVPMSOINX-UHFFFAOYSA-N 1 0 289.335 2.082 20 5 CEBDRO CC1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174874754 165118975 /nfs/dbraw/zinc/11/89/75/165118975.db2.gz WFDXABVUYBAQAZ-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000181463910 165346273 /nfs/dbraw/zinc/34/62/73/165346273.db2.gz YMSAOYTUTALYMN-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301459 196025388 /nfs/dbraw/zinc/02/53/88/196025388.db2.gz YSSUQHHEWNMWQK-LLVKDONJSA-N 1 0 289.339 2.114 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000020208256 171072722 /nfs/dbraw/zinc/07/27/22/171072722.db2.gz NRMVTNUCGFPDFY-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949768 196162724 /nfs/dbraw/zinc/16/27/24/196162724.db2.gz FCVSKAJIJKUKFY-PSASIEDQSA-N 1 0 267.354 2.333 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601474 172289765 /nfs/dbraw/zinc/28/97/65/172289765.db2.gz WMLAQAPLLCPWDD-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO CC(C)OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285295001 196243139 /nfs/dbraw/zinc/24/31/39/196243139.db2.gz KQRPHOCKZMJCPT-UHFFFAOYSA-N 1 0 266.341 2.494 20 5 CEBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285297310 196244189 /nfs/dbraw/zinc/24/41/89/196244189.db2.gz LRUFWQVTWSCTEO-GFCCVEGCSA-N 1 0 288.294 2.370 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285304317 196245243 /nfs/dbraw/zinc/24/52/43/196245243.db2.gz SFELOFYKWVCVRP-FOGDFJRCSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000035735505 172387358 /nfs/dbraw/zinc/38/73/58/172387358.db2.gz YVLNQJXKOKZQTC-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)C ZINC000037395888 173175761 /nfs/dbraw/zinc/17/57/61/173175761.db2.gz CLAIKWALQLNDFT-UHFFFAOYSA-N 1 0 265.313 2.230 20 5 CEBDRO CC[NH+](CC)CCCNCc1csc([N+](=O)[O-])c1 ZINC000037562495 173272748 /nfs/dbraw/zinc/27/27/48/173272748.db2.gz QWPMLDVDKLRHHR-UHFFFAOYSA-N 1 0 271.386 2.478 20 5 CEBDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060578 174071716 /nfs/dbraw/zinc/07/17/16/174071716.db2.gz YVHUJWXPCGHHNP-KBPBESRZSA-N 1 0 280.324 2.051 20 5 CEBDRO CSCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675931 174373400 /nfs/dbraw/zinc/37/34/00/174373400.db2.gz PEVIBBDWUZWFFY-UHFFFAOYSA-N 1 0 254.355 2.480 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000041123352 174487946 /nfs/dbraw/zinc/48/79/46/174487946.db2.gz FFYDRAVFTYJIRJ-SNVBAGLBSA-N 1 0 262.269 2.301 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685517 175231704 /nfs/dbraw/zinc/23/17/04/175231704.db2.gz IZRRMCSFMLSICC-WCQYABFASA-N 1 0 275.352 2.482 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045072387 175301702 /nfs/dbraw/zinc/30/17/02/175301702.db2.gz PDDWAPKHCOBYAK-LBPRGKRZSA-N 1 0 293.367 2.470 20 5 CEBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071330282 176124460 /nfs/dbraw/zinc/12/44/60/176124460.db2.gz TUFYBRVHHTUYFC-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000078497896 177347646 /nfs/dbraw/zinc/34/76/46/177347646.db2.gz STCJPFYQSHXGNX-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1cc(-n2ccnc2)ccc1Cn1cc([N+](=O)[O-])cn1 ZINC000191558449 227037430 /nfs/dbraw/zinc/03/74/30/227037430.db2.gz WCBZBPZLPUNRSV-UHFFFAOYSA-N 1 0 283.291 2.334 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000190291442 270267837 /nfs/dbraw/zinc/26/78/37/270267837.db2.gz GAHVJLIWWWREBQ-UHFFFAOYSA-N 1 0 286.763 2.421 20 5 CEBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896219 270341305 /nfs/dbraw/zinc/34/13/05/270341305.db2.gz CXVPTPYPOJVFJO-KWQFWETISA-N 1 0 297.742 2.005 20 5 CEBDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000395896436 270348558 /nfs/dbraw/zinc/34/85/58/270348558.db2.gz UDYKYWGLTLZOBJ-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397407314 270354050 /nfs/dbraw/zinc/35/40/50/270354050.db2.gz MIZLBQQXEVKPIJ-NQBHXWOUSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1c(C[N@H+]2C[C@@H](O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000399253700 270368397 /nfs/dbraw/zinc/36/83/97/270368397.db2.gz NRCBFWIMNBPAST-MFKMUULPSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[C@@H]1CCC[NH2+]C1)CCN2 ZINC000420193863 270479756 /nfs/dbraw/zinc/47/97/56/270479756.db2.gz JCZSFINNBKJHCZ-NSHDSACASA-N 1 0 290.367 2.364 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420274347 270500731 /nfs/dbraw/zinc/50/07/31/270500731.db2.gz FRWBQJXMUJUXGL-GHMZBOCLSA-N 1 0 281.360 2.049 20 5 CEBDRO CC[C@@H](NCCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000420395211 270533943 /nfs/dbraw/zinc/53/39/43/270533943.db2.gz DDEIZUYUYDAJFU-CYBMUJFWSA-N 1 0 251.330 2.245 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CC)cc1[N+](=O)[O-] ZINC000421876048 270676763 /nfs/dbraw/zinc/67/67/63/270676763.db2.gz KLGXHUDCVXTLIB-ZYHUDNBSSA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368717 270905319 /nfs/dbraw/zinc/90/53/19/270905319.db2.gz FJODAWBATLIJSC-NQBHXWOUSA-N 1 0 263.341 2.386 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC000423507217 270919697 /nfs/dbraw/zinc/91/96/97/270919697.db2.gz IDPDJPHJIQJVJC-SECBINFHSA-N 1 0 297.380 2.174 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000430195900 271362068 /nfs/dbraw/zinc/36/20/68/271362068.db2.gz PFOPNRSSZPXSSZ-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193142 271362144 /nfs/dbraw/zinc/36/21/44/271362144.db2.gz FKMHPDMQZWICND-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(C)(C)O ZINC000430200536 271362288 /nfs/dbraw/zinc/36/22/88/271362288.db2.gz HFYUQHMYAIVUPV-UHFFFAOYSA-N 1 0 282.340 2.243 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000430225108 271364984 /nfs/dbraw/zinc/36/49/84/271364984.db2.gz WXUCKKNMBHYDLP-AWEZNQCLSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000430225564 271365623 /nfs/dbraw/zinc/36/56/23/271365623.db2.gz YJLSMLQFZQWQAY-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000430565172 271389911 /nfs/dbraw/zinc/38/99/11/271389911.db2.gz FALMKMRDRSPGBZ-CYBMUJFWSA-N 1 0 251.330 2.058 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000433151832 271525985 /nfs/dbraw/zinc/52/59/85/271525985.db2.gz PBNGZQLBLBEDDG-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(C)(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302139691 273498718 /nfs/dbraw/zinc/49/87/18/273498718.db2.gz DCLJGSSQGXGLNP-UHFFFAOYSA-N 1 0 279.344 2.060 20 5 CEBDRO C[NH+](C)C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000270837204 273792771 /nfs/dbraw/zinc/79/27/71/273792771.db2.gz HETZPHCPDSYKQJ-UHFFFAOYSA-N 1 0 289.257 2.364 20 5 CEBDRO COCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000074328203 274018788 /nfs/dbraw/zinc/01/87/88/274018788.db2.gz SXVPSAUKOAYNKZ-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000296947318 275038829 /nfs/dbraw/zinc/03/88/29/275038829.db2.gz BYELLQXBBUMYRH-CQSZACIVSA-N 1 0 298.346 2.427 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358794402 275668391 /nfs/dbraw/zinc/66/83/91/275668391.db2.gz ZKUXXTCIZKNFPU-GFCCVEGCSA-N 1 0 270.304 2.231 20 5 CEBDRO CC(C)(C)[NH2+]CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414698340 275820796 /nfs/dbraw/zinc/82/07/96/275820796.db2.gz QOVAOVXIDCNXPJ-UHFFFAOYSA-N 1 0 277.368 2.341 20 5 CEBDRO CCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071330818 276001440 /nfs/dbraw/zinc/00/14/40/276001440.db2.gz IMDWMABRJJMUDI-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO CC[N@@H+]1CCCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000274708461 276164932 /nfs/dbraw/zinc/16/49/32/276164932.db2.gz SQERETOECFDDSO-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339105564 276333485 /nfs/dbraw/zinc/33/34/85/276333485.db2.gz NXPNDWVHZJEIOJ-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000311962478 276437678 /nfs/dbraw/zinc/43/76/78/276437678.db2.gz PFSACOKOWLLCHH-TZMCWYRMSA-N 1 0 264.325 2.500 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275387031 276870275 /nfs/dbraw/zinc/87/02/75/276870275.db2.gz PWPBAXVDKDUMQU-NSHDSACASA-N 1 0 290.367 2.093 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719697 277564565 /nfs/dbraw/zinc/56/45/65/277564565.db2.gz MCIMRLUEBFQNFB-UKRRQHHQSA-N 1 0 294.351 2.223 20 5 CEBDRO CC(C)c1ccc(CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000127859416 278036183 /nfs/dbraw/zinc/03/61/83/278036183.db2.gz PGUZILBSXJRRMX-UHFFFAOYSA-N 1 0 277.368 2.466 20 5 CEBDRO CC(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000359461249 278037051 /nfs/dbraw/zinc/03/70/51/278037051.db2.gz XVKUDUFIVFCHQS-ZIAGYGMSSA-N 1 0 289.379 2.369 20 5 CEBDRO C[C@@H](F)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000351731266 278302358 /nfs/dbraw/zinc/30/23/58/278302358.db2.gz UNEQNWDSWVDOTC-SECBINFHSA-N 1 0 253.277 2.096 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000223476610 278347401 /nfs/dbraw/zinc/34/74/01/278347401.db2.gz VRCAYHMDXOOMCN-GFCCVEGCSA-N 1 0 295.408 2.294 20 5 CEBDRO Cc1cnc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277221481 279014996 /nfs/dbraw/zinc/01/49/96/279014996.db2.gz RTWJTJDBTSMBTO-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063194644 279418354 /nfs/dbraw/zinc/41/83/54/279418354.db2.gz AVQHXLOIDHJEKT-GXFFZTMASA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176235647 280126259 /nfs/dbraw/zinc/12/62/59/280126259.db2.gz COJSRFDMAIAMML-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H]1c2ccsc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000358281192 280136326 /nfs/dbraw/zinc/13/63/26/280136326.db2.gz YZYVXDTYTGVPIO-JTQLQIEISA-N 1 0 292.364 2.472 20 5 CEBDRO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189311265 280148524 /nfs/dbraw/zinc/14/85/24/280148524.db2.gz JUUAMLDIIRQJDJ-FZMZJTMJSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235327781 280209171 /nfs/dbraw/zinc/20/91/71/280209171.db2.gz XSRLPWLPMPAPLB-PWSUYJOCSA-N 1 0 291.351 2.103 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000424378790 281153641 /nfs/dbraw/zinc/15/36/41/281153641.db2.gz NTNNUZXCTJSZRD-VTGPQGOBSA-N 1 0 275.352 2.468 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000360990962 281597925 /nfs/dbraw/zinc/59/79/25/281597925.db2.gz PGSJGKYXYOJLGH-VXGBXAGGSA-N 1 0 295.387 2.404 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268098669 289211865 /nfs/dbraw/zinc/21/18/65/289211865.db2.gz BHBKMDMLWLSOPJ-LLVKDONJSA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391412 290134339 /nfs/dbraw/zinc/13/43/39/290134339.db2.gz UVTOYIVAKJNKNZ-YPMHNXCESA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000459615991 290195346 /nfs/dbraw/zinc/19/53/46/290195346.db2.gz PQJBTACEXIAFAY-WFASDCNBSA-N 1 0 293.367 2.315 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(C2CCC2)CCC1 ZINC000459751173 290226447 /nfs/dbraw/zinc/22/64/47/290226447.db2.gz ABCHAQVZFNFTSQ-UHFFFAOYSA-N 1 0 264.329 2.141 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170224 295251400 /nfs/dbraw/zinc/25/14/00/295251400.db2.gz NMMSMRBTHGMXCE-IRBQFCFKSA-N 1 0 275.352 2.279 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000515342449 297570702 /nfs/dbraw/zinc/57/07/02/297570702.db2.gz MMBMMSVGPYXSBF-ZDUSSCGKSA-N 1 0 296.758 2.223 20 5 CEBDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000540426725 298265304 /nfs/dbraw/zinc/26/53/04/298265304.db2.gz GLPCSFVEFOGUPA-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516435487 313089095 /nfs/dbraw/zinc/08/90/95/313089095.db2.gz HDSBKKLWBOOKOL-INIZCTEOSA-N 1 0 298.346 2.333 20 5 CEBDRO Cc1cc(N2CCC([NH3+])CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000517722154 313113013 /nfs/dbraw/zinc/11/30/13/313113013.db2.gz OWOATTWTUQEHSP-UHFFFAOYSA-N 1 0 286.335 2.379 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000530627615 313300722 /nfs/dbraw/zinc/30/07/22/313300722.db2.gz SRKZISHZTMOFEN-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1(O)CCC1 ZINC000565606838 313829907 /nfs/dbraw/zinc/82/99/07/313829907.db2.gz DTDQTIFGIMRFGN-CYBMUJFWSA-N 1 0 276.336 2.477 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570454711 314041702 /nfs/dbraw/zinc/04/17/02/314041702.db2.gz PKAFTNWASWZKHL-WDEREUQCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH2+]CCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000573719135 314173654 /nfs/dbraw/zinc/17/36/54/314173654.db2.gz UPLWCXMRJDQXLB-UHFFFAOYSA-N 1 0 268.704 2.207 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668480 314505602 /nfs/dbraw/zinc/50/56/02/314505602.db2.gz DRNXINWKSIDXTK-MFKMUULPSA-N 1 0 296.392 2.286 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382437254 321839496 /nfs/dbraw/zinc/83/94/96/321839496.db2.gz WUYAMPAQOZPDQJ-SCZZXKLOSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399753153 326810190 /nfs/dbraw/zinc/81/01/90/326810190.db2.gz VHMBBQMQCYECRJ-GXFFZTMASA-N 1 0 279.340 2.461 20 5 CEBDRO Cc1nc(NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000349418212 500947057 /nfs/dbraw/zinc/94/70/57/500947057.db2.gz BBVDSECCKPQUEJ-UHFFFAOYSA-N 1 0 292.383 2.397 20 5 CEBDRO Cc1cc(NC(=O)N(C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000415411686 533954197 /nfs/dbraw/zinc/95/41/97/533954197.db2.gz BMYCRKTXOBGEDM-UHFFFAOYSA-N 1 0 294.355 2.352 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000155948245 519807921 /nfs/dbraw/zinc/80/79/21/519807921.db2.gz RNYWHCJQSDQOSQ-CYBMUJFWSA-N 1 0 280.328 2.090 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841441 520175774 /nfs/dbraw/zinc/17/57/74/520175774.db2.gz PPATYOQEEXSWSQ-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026895 534579551 /nfs/dbraw/zinc/57/95/51/534579551.db2.gz KHYPVHQLGOVGNN-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000067949375 524033886 /nfs/dbraw/zinc/03/38/86/524033886.db2.gz OUNABWORBSDZEX-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000157247165 524908047 /nfs/dbraw/zinc/90/80/47/524908047.db2.gz GVGRYTWUNIZQAP-OLZOCXBDSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1sc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000364639381 526871118 /nfs/dbraw/zinc/87/11/18/526871118.db2.gz BODSCLNDAZSKPK-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070149078 527194551 /nfs/dbraw/zinc/19/45/51/527194551.db2.gz MYMIUAOWOISQQE-SNVBAGLBSA-N 1 0 295.314 2.077 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCn1ccnc1 ZINC000050443678 527332598 /nfs/dbraw/zinc/33/25/98/527332598.db2.gz NSXDIKAMCPQVTO-UHFFFAOYSA-N 1 0 280.715 2.235 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1F ZINC000365285670 527349506 /nfs/dbraw/zinc/34/95/06/527349506.db2.gz ABMNOVPIYPXIGF-AWEZNQCLSA-N 1 0 280.299 2.346 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000366094443 527414305 /nfs/dbraw/zinc/41/43/05/527414305.db2.gz JKNMIOLBPQWOTD-AAEUAGOBSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000313155837 535815322 /nfs/dbraw/zinc/81/53/22/535815322.db2.gz NSUBUTWXHWDRJT-NXEZZACHSA-N 1 0 258.343 2.295 20 5 CEBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715807 536854966 /nfs/dbraw/zinc/85/49/66/536854966.db2.gz RWPYRSGTSVKYQQ-AAEUAGOBSA-N 1 0 282.340 2.215 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191268488 536952091 /nfs/dbraw/zinc/95/20/91/536952091.db2.gz RDYDYVJVRXNPOS-GHMZBOCLSA-N 1 0 294.351 2.337 20 5 CEBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CCC1 ZINC000742172847 575007888 /nfs/dbraw/zinc/00/78/88/575007888.db2.gz HOHNDZTZZKHXGM-UHFFFAOYSA-N 1 0 287.323 2.295 20 5 CEBDRO Cc1cnc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742429518 575021629 /nfs/dbraw/zinc/02/16/29/575021629.db2.gz FFUCWPQMRZEOKI-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748820124 575197953 /nfs/dbraw/zinc/19/79/53/575197953.db2.gz DQEXTIVGASKBSR-SECBINFHSA-N 1 0 278.337 2.167 20 5 CEBDRO COC1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753667211 575333971 /nfs/dbraw/zinc/33/39/71/575333971.db2.gz SPWKLYKLBCCZCE-PESDSKBTSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000804795403 622967621 /nfs/dbraw/zinc/96/76/21/622967621.db2.gz QOKMSSWQUGSJNM-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010893 623407099 /nfs/dbraw/zinc/40/70/99/623407099.db2.gz VACGMOFITJASQI-GXSJLCMTSA-N 1 0 283.759 2.417 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCC1 ZINC000891476628 623732392 /nfs/dbraw/zinc/73/23/92/623732392.db2.gz SHJAGJDPOFTCRX-UHFFFAOYSA-N 1 0 281.360 2.005 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000892012128 624249326 /nfs/dbraw/zinc/24/93/26/624249326.db2.gz AISAPUGTYFLUPF-SECBINFHSA-N 1 0 266.297 2.293 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194237 624309046 /nfs/dbraw/zinc/30/90/46/624309046.db2.gz BBEBIYISAFRADS-JOYOIKCWSA-N 1 0 293.348 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000934352544 624435365 /nfs/dbraw/zinc/43/53/65/624435365.db2.gz YKJSSPIBXQCGRK-VNHYZAJKSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@H](O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051819815 624602803 /nfs/dbraw/zinc/60/28/03/624602803.db2.gz OTUXZARZUKWEDL-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293264417 627620876 /nfs/dbraw/zinc/62/08/76/627620876.db2.gz UPUFGQRDLZESBN-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCCON)c2cc([N+](=O)[O-])ccc21 ZINC000902424722 634647095 /nfs/dbraw/zinc/64/70/95/634647095.db2.gz JZSVIBOQVXCZRK-ZDUSSCGKSA-N 1 0 279.340 2.187 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CNCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902428506 634649064 /nfs/dbraw/zinc/64/90/64/634649064.db2.gz DSJASCHUDAHXTI-OUCADQQQSA-N 1 0 277.368 2.286 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC000902467267 634685105 /nfs/dbraw/zinc/68/51/05/634685105.db2.gz OKXKXIDTWDCCMX-SCUASFONSA-N 1 0 275.352 2.447 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054131650 628981396 /nfs/dbraw/zinc/98/13/96/628981396.db2.gz MTHYWOFMEJYRRN-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794949045 629368082 /nfs/dbraw/zinc/36/80/82/629368082.db2.gz NUXKBZJJWLGQMB-SMDDNHRTSA-N 1 0 295.770 2.384 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261958479 629395236 /nfs/dbraw/zinc/39/52/36/629395236.db2.gz GYJNIXGWAJJYAJ-HNNXBMFYSA-N 1 0 277.368 2.069 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261985122 629410397 /nfs/dbraw/zinc/41/03/97/629410397.db2.gz RVOMYEVOMUGOLN-ZDUSSCGKSA-N 1 0 283.759 2.419 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)C2CC2)c(F)c1 ZINC000795994167 629732956 /nfs/dbraw/zinc/73/29/56/629732956.db2.gz PTEJQXKFQVALOZ-ZDUSSCGKSA-N 1 0 286.278 2.124 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000895434253 630183234 /nfs/dbraw/zinc/18/32/34/630183234.db2.gz UKOSZLWRDBFAAV-ONGXEEELSA-N 1 0 278.308 2.151 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895623444 630277400 /nfs/dbraw/zinc/27/74/00/630277400.db2.gz SPXAGWNECSIDMQ-AOOOYVTPSA-N 1 0 291.307 2.251 20 5 CEBDRO CC(=O)c1c(N[C@H]2CC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000895734234 630324913 /nfs/dbraw/zinc/32/49/13/630324913.db2.gz KVRIQBADDMOMDK-ONGXEEELSA-N 1 0 277.324 2.302 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000895767369 630336996 /nfs/dbraw/zinc/33/69/96/630336996.db2.gz LXRFEPGIOPRFED-JTQLQIEISA-N 1 0 272.308 2.259 20 5 CEBDRO C[NH+]1CCC2(CCN2c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000897133566 630951800 /nfs/dbraw/zinc/95/18/00/630951800.db2.gz MFPAGGPXYCFPED-UHFFFAOYSA-N 1 0 296.758 2.318 20 5 CEBDRO C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000799739951 631074446 /nfs/dbraw/zinc/07/44/46/631074446.db2.gz SGPSYWGDNWLUEB-UHFFFAOYSA-N 1 0 258.705 2.062 20 5 CEBDRO CC[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804331489 631664315 /nfs/dbraw/zinc/66/43/15/631664315.db2.gz AOTNXMHEWCKNQH-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000804358941 631669753 /nfs/dbraw/zinc/66/97/53/631669753.db2.gz BXFRZFNQXMGDBF-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804399865 631678238 /nfs/dbraw/zinc/67/82/38/631678238.db2.gz IKTOVEBXYIKZJS-LBPRGKRZSA-N 1 0 278.356 2.144 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841025075 631802398 /nfs/dbraw/zinc/80/23/98/631802398.db2.gz ZYRBTQVTAZUILO-UFBFGSQYSA-N 1 0 269.732 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000841032335 631820331 /nfs/dbraw/zinc/82/03/31/631820331.db2.gz COAHLJMAMTUUKI-SNVBAGLBSA-N 1 0 283.759 2.337 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000897891324 631963777 /nfs/dbraw/zinc/96/37/77/631963777.db2.gz AYDPBFLLMCEVJD-ZZEYUXRUSA-N 1 0 292.335 2.002 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC(CCO)C1 ZINC000898015019 632014946 /nfs/dbraw/zinc/01/49/46/632014946.db2.gz HRVAOBOLEGFEFO-MGULZYLOSA-N 1 0 276.336 2.333 20 5 CEBDRO CCSCCN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735193 632134781 /nfs/dbraw/zinc/13/47/81/632134781.db2.gz URSGJVOLMHSLSG-UHFFFAOYSA-N 1 0 269.370 2.113 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000898379646 632187301 /nfs/dbraw/zinc/18/73/01/632187301.db2.gz HJVOUXIWHMFOLO-GJZGRUSLSA-N 1 0 276.336 2.152 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000041678176 632443397 /nfs/dbraw/zinc/44/33/97/632443397.db2.gz PRPUPUISJWVWJG-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CC1(C)[C@H](O)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000812865836 632596252 /nfs/dbraw/zinc/59/62/52/632596252.db2.gz UABVDMUGXCZEHS-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000927150955 632619132 /nfs/dbraw/zinc/61/91/32/632619132.db2.gz URTHQKYDTFDVLG-SRVKXCTJSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+](C)C ZINC000813613509 632717462 /nfs/dbraw/zinc/71/74/62/632717462.db2.gz FCAWRIOEMJWPLQ-VIFPVBQESA-N 1 0 282.300 2.113 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571805 633032565 /nfs/dbraw/zinc/03/25/65/633032565.db2.gz MQNADSURFFBILN-PWSUYJOCSA-N 1 0 281.356 2.235 20 5 CEBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625378 633039869 /nfs/dbraw/zinc/03/98/69/633039869.db2.gz BQZOKPDKMGIRDF-PWSUYJOCSA-N 1 0 281.356 2.092 20 5 CEBDRO CC(C)c1ccc(OCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899870266 633063756 /nfs/dbraw/zinc/06/37/56/633063756.db2.gz HBUUMNJBNAVGML-UHFFFAOYSA-N 1 0 252.314 2.055 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000899875964 633067610 /nfs/dbraw/zinc/06/76/10/633067610.db2.gz LHTIYVDNZHJPIE-ZIAGYGMSSA-N 1 0 264.325 2.021 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC=CCC2)c1 ZINC000819088487 634065177 /nfs/dbraw/zinc/06/51/77/634065177.db2.gz SMAYACRBBLOJJQ-TZMCWYRMSA-N 1 0 262.309 2.327 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000901352758 634065893 /nfs/dbraw/zinc/06/58/93/634065893.db2.gz SWUMLIGCBDSNQE-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000819194582 634101411 /nfs/dbraw/zinc/10/14/11/634101411.db2.gz RXXRXHJYJBCXJR-IINYFYTJSA-N 1 0 275.308 2.307 20 5 CEBDRO CCOC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819249613 634116579 /nfs/dbraw/zinc/11/65/79/634116579.db2.gz LTVYEKSMFPDDTD-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819310053 634134715 /nfs/dbraw/zinc/13/47/15/634134715.db2.gz YEXJHXFWULSQEK-OLZOCXBDSA-N 1 0 264.325 2.406 20 5 CEBDRO COC1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819362745 634155427 /nfs/dbraw/zinc/15/54/27/634155427.db2.gz CAHTVDAXJYGGFG-ZALBZXLWSA-N 1 0 294.351 2.175 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000901715590 634273238 /nfs/dbraw/zinc/27/32/38/634273238.db2.gz RWGGGGPLROTRAA-CQSZACIVSA-N 1 0 291.351 2.430 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822225667 634872460 /nfs/dbraw/zinc/87/24/60/634872460.db2.gz LYLZTQCAOFQMIA-CYBMUJFWSA-N 1 0 299.415 2.203 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000903078048 634958836 /nfs/dbraw/zinc/95/88/36/634958836.db2.gz BYNFIHCRFZZGFN-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@H](C)NC[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175463 634998714 /nfs/dbraw/zinc/99/87/14/634998714.db2.gz SIVKRVMQHNHYDO-RYUDHWBXSA-N 1 0 295.383 2.452 20 5 CEBDRO Cc1c(Cc2noc(CC[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822862534 635015315 /nfs/dbraw/zinc/01/53/15/635015315.db2.gz JXMLUVBSQDEMOR-VIFPVBQESA-N 1 0 290.323 2.157 20 5 CEBDRO CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903260691 635033531 /nfs/dbraw/zinc/03/35/31/635033531.db2.gz MJMVTULBAYIJRQ-MMWSSPAHSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C ZINC000903300439 635047569 /nfs/dbraw/zinc/04/75/69/635047569.db2.gz HXULAUJFWZTABW-SWHYSGLUSA-N 1 0 275.352 2.264 20 5 CEBDRO CN1CC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903322859 635056463 /nfs/dbraw/zinc/05/64/63/635056463.db2.gz OTTSVSGQTJZGLN-CABCVRRESA-N 1 0 289.379 2.210 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903393742 635090088 /nfs/dbraw/zinc/09/00/88/635090088.db2.gz SHXNWTBBOSLFSH-ICCXJUOJSA-N 1 0 262.309 2.207 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000823194508 635093313 /nfs/dbraw/zinc/09/33/13/635093313.db2.gz GLEQBVKMECVZLH-GFCCVEGCSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903403453 635111731 /nfs/dbraw/zinc/11/17/31/635111731.db2.gz CLCSKFHXRXVWTN-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(-c2noc([C@@H](C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269914 635119016 /nfs/dbraw/zinc/11/90/16/635119016.db2.gz LQQYNCXNGHWIDB-CBAPKCEASA-N 1 0 276.296 2.404 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484520 635151652 /nfs/dbraw/zinc/15/16/52/635151652.db2.gz AHVBSFYRVNWHAW-CQSZACIVSA-N 1 0 293.342 2.498 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000903796476 635275237 /nfs/dbraw/zinc/27/52/37/635275237.db2.gz WBUGRXFNRLOROV-DZGCQCFKSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903856406 635307202 /nfs/dbraw/zinc/30/72/02/635307202.db2.gz RGHGMTADCKMJGB-BXUZGUMPSA-N 1 0 279.315 2.047 20 5 CEBDRO CC1CC[NH+](Cc2ccccc2CNCC[N+](=O)[O-])CC1 ZINC000905045392 635786549 /nfs/dbraw/zinc/78/65/49/635786549.db2.gz JCEMDQDAXBZNJI-UHFFFAOYSA-N 1 0 291.395 2.285 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000905080739 635797707 /nfs/dbraw/zinc/79/77/07/635797707.db2.gz MOUSWRYRFSMZQU-UHFFFAOYSA-N 1 0 252.289 2.114 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000905244055 636169439 /nfs/dbraw/zinc/16/94/39/636169439.db2.gz ULFPPHRUHZFLEE-AAEUAGOBSA-N 1 0 252.289 2.328 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905422366 636269548 /nfs/dbraw/zinc/26/95/48/636269548.db2.gz JFGBQCKPWSTGIH-RDFMZFSFSA-N 1 0 292.335 2.056 20 5 CEBDRO C=C/C=C\CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905423666 636274364 /nfs/dbraw/zinc/27/43/64/636274364.db2.gz QKBDEMFQHKWZIN-NQHOJNORSA-N 1 0 262.309 2.350 20 5 CEBDRO C[C@]1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905586400 636342346 /nfs/dbraw/zinc/34/23/46/636342346.db2.gz CWXCDIGLPYGHNB-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000905733379 636422906 /nfs/dbraw/zinc/42/29/06/636422906.db2.gz JKVSQMNVEUJGGW-SCZZXKLOSA-N 1 0 294.742 2.453 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827812329 636431333 /nfs/dbraw/zinc/43/13/33/636431333.db2.gz JKKQWFXZJYMPJR-MGCOHNPYSA-N 1 0 298.726 2.289 20 5 CEBDRO C[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905974045 636543867 /nfs/dbraw/zinc/54/38/67/636543867.db2.gz JNFRWOBRVWJXCA-JTQLQIEISA-N 1 0 263.297 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906173156 636634900 /nfs/dbraw/zinc/63/49/00/636634900.db2.gz ZYPPUROSIFPVGE-CYBMUJFWSA-N 1 0 270.292 2.476 20 5 CEBDRO CC[C@@H](C)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000829251474 636811841 /nfs/dbraw/zinc/81/18/41/636811841.db2.gz CEKAROUEQCGCMY-LLVKDONJSA-N 1 0 278.356 2.098 20 5 CEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000830553603 637100972 /nfs/dbraw/zinc/10/09/72/637100972.db2.gz JEWOZIAKYZXZMR-LBPRGKRZSA-N 1 0 252.314 2.359 20 5 CEBDRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616052 637621234 /nfs/dbraw/zinc/62/12/34/637621234.db2.gz QAHPKVLXAJKKIB-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885644 637977675 /nfs/dbraw/zinc/97/76/75/637977675.db2.gz DEXXUAQNEJJWLR-GAJTVXKRSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905246 637983482 /nfs/dbraw/zinc/98/34/82/637983482.db2.gz SFUUHJOLHQXWKO-ZANVPECISA-N 1 0 279.340 2.253 20 5 CEBDRO CC(C)([NH3+])CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000911847461 638442774 /nfs/dbraw/zinc/44/27/74/638442774.db2.gz XGXFPECRRLFHRZ-UHFFFAOYSA-N 1 0 299.758 2.034 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[NH2+]CC12CCCC2 ZINC000911906268 638473235 /nfs/dbraw/zinc/47/32/35/638473235.db2.gz AHWXSTPZRAXXDL-GFCCVEGCSA-N 1 0 275.308 2.066 20 5 CEBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876791521 650433251 /nfs/dbraw/zinc/43/32/51/650433251.db2.gz LNEBXNBFSXPTCM-UHFFFAOYSA-N 1 0 287.319 2.039 20 5 CEBDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182932 638600052 /nfs/dbraw/zinc/60/00/52/638600052.db2.gz LQDXTXMXCPGTGR-MFKMUULPSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000876835074 650453527 /nfs/dbraw/zinc/45/35/27/650453527.db2.gz RRENKDHGVMOANT-JQWIXIFHSA-N 1 0 291.351 2.082 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccs3)C2)c1 ZINC000876882101 650471114 /nfs/dbraw/zinc/47/11/14/650471114.db2.gz ZVKIYKVJJPOQHW-UHFFFAOYSA-N 1 0 278.337 2.346 20 5 CEBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850288 639585877 /nfs/dbraw/zinc/58/58/77/639585877.db2.gz RIRIHXQKXVZSSY-NTCNTBNZSA-N 1 0 290.772 2.105 20 5 CEBDRO C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841010233 639616164 /nfs/dbraw/zinc/61/61/64/639616164.db2.gz DHDZHNPISOBRIV-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011591 639617101 /nfs/dbraw/zinc/61/71/01/639617101.db2.gz SDGGILWVYFNZFB-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO [NH3+]CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000841075299 639645834 /nfs/dbraw/zinc/64/58/34/639645834.db2.gz ZQKPIJATYZVRPJ-SNVBAGLBSA-N 1 0 293.701 2.320 20 5 CEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841103973 639672527 /nfs/dbraw/zinc/67/25/27/639672527.db2.gz VFGOEQBCNUZYNW-SECBINFHSA-N 1 0 298.730 2.122 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233620 639714922 /nfs/dbraw/zinc/71/49/22/639714922.db2.gz ZZDWPYGVLRKSNB-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000172918418 639827145 /nfs/dbraw/zinc/82/71/45/639827145.db2.gz YQXJUMAJLUFZPA-WDEREUQCSA-N 1 0 252.318 2.259 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000172919223 639827967 /nfs/dbraw/zinc/82/79/67/639827967.db2.gz DVAHYBMWVJSWMX-MNOVXSKESA-N 1 0 252.318 2.259 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841894620 639901482 /nfs/dbraw/zinc/90/14/82/639901482.db2.gz RVGVZTRAPDIJNF-UHFFFAOYSA-N 1 0 297.311 2.361 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC=CCC3)C2)c1 ZINC000877055802 650552031 /nfs/dbraw/zinc/55/20/31/650552031.db2.gz OVWRIKPORGYJJP-UNXYVOJBSA-N 1 0 262.313 2.193 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC([NH3+])C1 ZINC000843125295 640292363 /nfs/dbraw/zinc/29/23/63/640292363.db2.gz RCWITOQXMQAWFW-UHFFFAOYSA-N 1 0 269.732 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000843127434 640294796 /nfs/dbraw/zinc/29/47/96/640294796.db2.gz QZUPQGXIWOJIOV-YPMHNXCESA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)s1 ZINC000843219190 640351765 /nfs/dbraw/zinc/35/17/65/640351765.db2.gz ZSXDRSZTYFUKOZ-SSDOTTSWSA-N 1 0 280.309 2.001 20 5 CEBDRO C[NH2+]C[C@@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239298 640365190 /nfs/dbraw/zinc/36/51/90/640365190.db2.gz JBGFJCKBBKRLKD-SECBINFHSA-N 1 0 276.296 2.276 20 5 CEBDRO Cc1cc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)cc([N+](=O)[O-])c1 ZINC000843239176 640365365 /nfs/dbraw/zinc/36/53/65/640365365.db2.gz FTIBYJWNQILYSZ-AOOOYVTPSA-N 1 0 274.280 2.158 20 5 CEBDRO C[C@@](C[NH3+])(NCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000843355508 640401435 /nfs/dbraw/zinc/40/14/35/640401435.db2.gz FDDFWEAQWGCECD-ZDUSSCGKSA-N 1 0 283.759 2.465 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC(F)(F)C3)C2)c1 ZINC000877107179 650576941 /nfs/dbraw/zinc/57/69/41/650576941.db2.gz YUEGGKZBLSGLLQ-IDKOKCKLSA-N 1 0 286.282 2.272 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877119636 650580793 /nfs/dbraw/zinc/58/07/93/650580793.db2.gz JMNPGXKXIYTBCF-VOMCLLRMSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153586303 640552038 /nfs/dbraw/zinc/55/20/38/640552038.db2.gz XFISNFBKFOFRKO-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070074732 641629839 /nfs/dbraw/zinc/62/98/39/641629839.db2.gz MQQGDODHILGNGH-WDEREUQCSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183899300 641811755 /nfs/dbraw/zinc/81/17/55/641811755.db2.gz DLXNZRPMRDBNIK-NSHDSACASA-N 1 0 280.324 2.399 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000848714690 642109216 /nfs/dbraw/zinc/10/92/16/642109216.db2.gz SKQOBSKXNFJVOX-SECBINFHSA-N 1 0 297.664 2.227 20 5 CEBDRO CC[C@H](C)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000848992170 642212690 /nfs/dbraw/zinc/21/26/90/642212690.db2.gz UFTHOLRVEIHCRK-VIFPVBQESA-N 1 0 250.302 2.007 20 5 CEBDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850480623 642728175 /nfs/dbraw/zinc/72/81/75/642728175.db2.gz AKZCZIISMJAZOD-MWLCHTKSSA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850545672 642747501 /nfs/dbraw/zinc/74/75/01/642747501.db2.gz QUWJOYNOEDQGKX-ZYHUDNBSSA-N 1 0 293.367 2.236 20 5 CEBDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000922638951 643171900 /nfs/dbraw/zinc/17/19/00/643171900.db2.gz LOTRIVSVDUMDIA-CYBMUJFWSA-N 1 0 291.351 2.004 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C=CCC3)CC2)cn1 ZINC000877625151 650819643 /nfs/dbraw/zinc/81/96/43/650819643.db2.gz WDWWHSQMNNCWDU-LBPRGKRZSA-N 1 0 288.351 2.267 20 5 CEBDRO COC(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000851896617 643214400 /nfs/dbraw/zinc/21/44/00/643214400.db2.gz KOYQDFPUUVXTJS-SNVBAGLBSA-N 1 0 268.313 2.254 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977434 643380746 /nfs/dbraw/zinc/38/07/46/643380746.db2.gz WUFKVRIGBOCUEM-NEPJUHHUSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852558760 643472338 /nfs/dbraw/zinc/47/23/38/643472338.db2.gz MLXSDSSWTNNVSW-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923004573 643509276 /nfs/dbraw/zinc/50/92/76/643509276.db2.gz VXEIHDQYXHPSFD-VGEYQTFWSA-N 1 0 276.336 2.359 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852695608 643515898 /nfs/dbraw/zinc/51/58/98/643515898.db2.gz CRQSFYFJWXDDNW-PHIMTYICSA-N 1 0 296.298 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc1 ZINC000923037612 643524756 /nfs/dbraw/zinc/52/47/56/643524756.db2.gz REYNNHVCWBLOHP-SWLSCSKDSA-N 1 0 274.320 2.396 20 5 CEBDRO C[C@](CO)([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692320 650853653 /nfs/dbraw/zinc/85/36/53/650853653.db2.gz YFASDJFBUYOKRE-LSDHHAIUSA-N 1 0 292.335 2.085 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000923441280 643718143 /nfs/dbraw/zinc/71/81/43/643718143.db2.gz IYQLYTDYUAYOTE-OUAUKWLOSA-N 1 0 281.331 2.305 20 5 CEBDRO C[C@]1(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]C1 ZINC000853320030 643738984 /nfs/dbraw/zinc/73/89/84/643738984.db2.gz NYBYVAHHAGKFCY-LBPRGKRZSA-N 1 0 298.730 2.122 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835739 650927966 /nfs/dbraw/zinc/92/79/66/650927966.db2.gz WGEXDEIYJROBIY-LBPRGKRZSA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000877903106 650942952 /nfs/dbraw/zinc/94/29/52/650942952.db2.gz JLXWMUIKEISVPO-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000858562959 645203621 /nfs/dbraw/zinc/20/36/21/645203621.db2.gz RPABFPSITWXDCC-IWIIMEHWSA-N 1 0 281.743 2.244 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859645874 645553195 /nfs/dbraw/zinc/55/31/95/645553195.db2.gz JYHOYKMVRDYIMI-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000859682193 645567229 /nfs/dbraw/zinc/56/72/29/645567229.db2.gz OHHCUQQTPALWQU-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059223 645686467 /nfs/dbraw/zinc/68/64/67/645686467.db2.gz WYQYNEYKKKXNFB-SKDRFNHKSA-N 1 0 293.348 2.436 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000770369858 646383125 /nfs/dbraw/zinc/38/31/25/646383125.db2.gz OCTLAOSFWDKHMC-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C)C2)c1 ZINC000771195009 646498979 /nfs/dbraw/zinc/49/89/79/646498979.db2.gz GHURXJJVWYJJLQ-SECBINFHSA-N 1 0 283.303 2.106 20 5 CEBDRO C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000863484823 646740745 /nfs/dbraw/zinc/74/07/45/646740745.db2.gz NLZCYNIUNRNXSC-BXKDBHETSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000863487888 646741325 /nfs/dbraw/zinc/74/13/25/646741325.db2.gz XTHXDUWETAJNNQ-QPUJVOFHSA-N 1 0 269.732 2.088 20 5 CEBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776578475 647072800 /nfs/dbraw/zinc/07/28/00/647072800.db2.gz GFPVSUYLVMIKGK-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582786 647074675 /nfs/dbraw/zinc/07/46/75/647074675.db2.gz BYSOPZHPKWSKGH-SUNKGSAMSA-N 1 0 296.392 2.454 20 5 CEBDRO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[N@H+](C)C1CC1 ZINC000865504645 647330187 /nfs/dbraw/zinc/33/01/87/647330187.db2.gz VGVOLPOCXMXAHE-SECBINFHSA-N 1 0 297.330 2.121 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)ncc1[N+](=O)[O-] ZINC000866113310 647614853 /nfs/dbraw/zinc/61/48/53/647614853.db2.gz ZLCHIDRQLYWVIH-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000866206028 647669931 /nfs/dbraw/zinc/66/99/31/647669931.db2.gz IIHDJLYOQQJGDW-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO COc1cccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206152 647669939 /nfs/dbraw/zinc/66/99/39/647669939.db2.gz BSGYRDQHIVNUPD-VXGBXAGGSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267792 647706033 /nfs/dbraw/zinc/70/60/33/647706033.db2.gz SUDIIGIYBCORJM-UWVGGRQHSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000866312433 647731866 /nfs/dbraw/zinc/73/18/66/647731866.db2.gz NNNTUUBCEQWSCN-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783601846 647735338 /nfs/dbraw/zinc/73/53/38/647735338.db2.gz UWKGGDANYRJJOM-SECBINFHSA-N 1 0 295.730 2.018 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000866346997 647748490 /nfs/dbraw/zinc/74/84/90/647748490.db2.gz IPWQINHNTPSXEX-JTNHKYCSSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000866369122 647760242 /nfs/dbraw/zinc/76/02/42/647760242.db2.gz HKPNEVNXYGBENB-MRCXROJRSA-N 1 0 282.315 2.168 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000866377759 647764166 /nfs/dbraw/zinc/76/41/66/647764166.db2.gz XMHZGLOFCQGOMF-IUPBHXKESA-N 1 0 282.315 2.168 20 5 CEBDRO Cc1nn(C[N@H+](C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000784013701 647787369 /nfs/dbraw/zinc/78/73/69/647787369.db2.gz ITXWOPNXKSDMCU-LBPRGKRZSA-N 1 0 264.329 2.345 20 5 CEBDRO C[C@]([NH3+])(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867941236 647995515 /nfs/dbraw/zinc/99/55/15/647995515.db2.gz DROCGFLFIRMKJK-OAHLLOKOSA-N 1 0 291.351 2.218 20 5 CEBDRO CCC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867950415 647999824 /nfs/dbraw/zinc/99/98/24/647999824.db2.gz VCKZYCPRQUILIP-QMTHXVAHSA-N 1 0 279.340 2.074 20 5 CEBDRO CCC1(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000867955332 648000231 /nfs/dbraw/zinc/00/02/31/648000231.db2.gz YBLKJBMKIWRUPO-CQSZACIVSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005031 648018202 /nfs/dbraw/zinc/01/82/02/648018202.db2.gz GLEUFPZEJRJTMR-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)OCCO1 ZINC000786820839 648048446 /nfs/dbraw/zinc/04/84/46/648048446.db2.gz LMUFYSWLYGJMJE-XYOKQWHBSA-N 1 0 292.335 2.351 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591879 648205886 /nfs/dbraw/zinc/20/58/86/648205886.db2.gz JGSSXKNJRJOZKY-QMTHXVAHSA-N 1 0 281.356 2.235 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000870571294 648836853 /nfs/dbraw/zinc/83/68/53/648836853.db2.gz JMMPZIDDTDDAAD-CYBMUJFWSA-N 1 0 280.324 2.338 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000870961898 648963111 /nfs/dbraw/zinc/96/31/11/648963111.db2.gz INFCGQVHCRICDL-BETUJISGSA-N 1 0 291.351 2.037 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)O ZINC000872015943 649241317 /nfs/dbraw/zinc/24/13/17/649241317.db2.gz ANXHEUGWIQHLDA-IUCAKERBSA-N 1 0 270.354 2.348 20 5 CEBDRO C[C@H](NCC1([NH+](C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080843 649266975 /nfs/dbraw/zinc/26/69/75/649266975.db2.gz SSBRPJUAGALJFP-JTQLQIEISA-N 1 0 281.331 2.479 20 5 CEBDRO CC(C)(CCc1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000872182383 649310682 /nfs/dbraw/zinc/31/06/82/649310682.db2.gz KNVUOTVIDZYNKM-QRGHLMKCSA-N 1 0 294.355 2.070 20 5 CEBDRO CC(C)(CCc1noc(/C=C\[C@H]2CCC[NH2+]C2)n1)[N+](=O)[O-] ZINC000872182381 649311168 /nfs/dbraw/zinc/31/11/68/649311168.db2.gz KNVUOTVIDZYNKM-ISALQUGTSA-N 1 0 294.355 2.070 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccccc1[N+](=O)[O-] ZINC000872779280 649486059 /nfs/dbraw/zinc/48/60/59/649486059.db2.gz DVUMIYXQFZGUKR-VXGBXAGGSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](C2CC2)N(C)C)cccc1[N+](=O)[O-] ZINC000873016693 649532221 /nfs/dbraw/zinc/53/22/21/649532221.db2.gz OTYPMAQEPFZJBA-HNNXBMFYSA-N 1 0 277.368 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C1CC1 ZINC000873049766 649544396 /nfs/dbraw/zinc/54/43/96/649544396.db2.gz LQEMRRQQGOLXFK-AWEZNQCLSA-N 1 0 264.325 2.072 20 5 CEBDRO CO[C@]1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCOC1 ZINC000873107848 649559215 /nfs/dbraw/zinc/55/92/15/649559215.db2.gz REDZWGVRIDDNAA-HNNXBMFYSA-N 1 0 294.351 2.107 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC000873162473 649576294 /nfs/dbraw/zinc/57/62/94/649576294.db2.gz MFDDCUFNLHHRPP-CYBMUJFWSA-N 1 0 292.335 2.336 20 5 CEBDRO CCO[C@@H]1C[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253823 651151330 /nfs/dbraw/zinc/15/13/30/651151330.db2.gz FQGIVYYRLAWCSY-VXGBXAGGSA-N 1 0 294.355 2.028 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879407782 651298611 /nfs/dbraw/zinc/29/86/11/651298611.db2.gz NVODLJFWCZBGTG-GFCCVEGCSA-N 1 0 296.371 2.037 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1[N+](=O)[O-] ZINC000879564761 651322305 /nfs/dbraw/zinc/32/23/05/651322305.db2.gz LNUFMVPAOMNXBK-NXEZZACHSA-N 1 0 283.353 2.076 20 5 CEBDRO C[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880000500 651372008 /nfs/dbraw/zinc/37/20/08/651372008.db2.gz ILBQGTZQQISZSB-SNVBAGLBSA-N 1 0 292.261 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880294351 651417061 /nfs/dbraw/zinc/41/70/61/651417061.db2.gz UFUMRJLQPZVYDL-LLVKDONJSA-N 1 0 268.288 2.265 20 5 CEBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000880438820 651441366 /nfs/dbraw/zinc/44/13/66/651441366.db2.gz AGJWKGUAYLQHRP-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881213252 651637546 /nfs/dbraw/zinc/63/75/46/651637546.db2.gz YSNFAKVBENNTMN-CQSZACIVSA-N 1 0 289.339 2.127 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000882478813 652091091 /nfs/dbraw/zinc/09/10/91/652091091.db2.gz FNXNWFVCFPLLQA-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355924 652440684 /nfs/dbraw/zinc/44/06/84/652440684.db2.gz AHLAPMYZKABKFT-MNOVXSKESA-N 1 0 281.331 2.479 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884171354 652740543 /nfs/dbraw/zinc/74/05/43/652740543.db2.gz STTQMYKBARJVST-MFKMUULPSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164638699 719179901 /nfs/dbraw/zinc/17/99/01/719179901.db2.gz RGGIASICOAKTBK-ZJUUUORDSA-N 1 0 298.774 2.480 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000408169516 719209582 /nfs/dbraw/zinc/20/95/82/719209582.db2.gz OCLVZJAEQVEYPR-NWDGAFQWSA-N 1 0 278.356 2.135 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+](C)C)CC1 ZINC000610273739 721942505 /nfs/dbraw/zinc/94/25/05/721942505.db2.gz CAOLBJOKURHKJA-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H](CCNCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000697838942 806703250 /nfs/dbraw/zinc/70/32/50/806703250.db2.gz REAZZVBNMIPPAG-VIFPVBQESA-N 1 0 257.359 2.086 20 5 CEBDRO Cc1c(CNCC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000697919573 806757402 /nfs/dbraw/zinc/75/74/02/806757402.db2.gz HWJBDQUYRGCIOM-LLVKDONJSA-N 1 0 265.357 2.333 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000721880689 806895283 /nfs/dbraw/zinc/89/52/83/806895283.db2.gz VOLLVIDVTJRNKL-LBPRGKRZSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C)C1 ZINC001167284791 802635470 /nfs/dbraw/zinc/63/54/70/802635470.db2.gz RNEYNPDPSMANJN-VIFPVBQESA-N 1 0 253.277 2.158 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711370733 810064592 /nfs/dbraw/zinc/06/45/92/810064592.db2.gz RSIYBOWVDMYIEI-NSHDSACASA-N 1 0 277.324 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)c(C(F)(F)F)c1 ZINC001218014526 803535689 /nfs/dbraw/zinc/53/56/89/803535689.db2.gz BHMHRQGIAIOKIC-WPRPVWTQSA-N 1 0 294.204 2.302 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001117760481 814945960 /nfs/dbraw/zinc/94/59/60/814945960.db2.gz AOGLLTAGJDFHOX-LBPRGKRZSA-N 1 0 296.367 2.455 20 5 CEBDRO CC[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223709098 804613860 /nfs/dbraw/zinc/61/38/60/804613860.db2.gz UVOOYPHWSJQTFB-HUUCEWRRSA-N 1 0 280.388 2.138 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001119326595 815092568 /nfs/dbraw/zinc/09/25/68/815092568.db2.gz XNEVLKFLWKIBEO-IFUGULHKSA-N 1 0 291.351 2.074 20 5 CEBDRO CC(C)(C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001121897379 807527232 /nfs/dbraw/zinc/52/72/32/807527232.db2.gz VYVNVPMFOBYODR-UHFFFAOYSA-N 1 0 299.758 2.239 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716715699 815144219 /nfs/dbraw/zinc/14/42/19/815144219.db2.gz JOGULNHVELPRCD-JTQLQIEISA-N 1 0 294.685 2.354 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716814599 815150211 /nfs/dbraw/zinc/15/02/11/815150211.db2.gz MQMMLCWKZDDFCA-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701052474 809383357 /nfs/dbraw/zinc/38/33/57/809383357.db2.gz WREPNBMLSWFADC-SECBINFHSA-N 1 0 297.742 2.120 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001120883819 815290594 /nfs/dbraw/zinc/29/05/94/815290594.db2.gz JPSYPCWJPNCRGE-NSHDSACASA-N 1 0 290.367 2.459 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065063 809491528 /nfs/dbraw/zinc/49/15/28/809491528.db2.gz VGAQZXOXKXCDCC-WPRPVWTQSA-N 1 0 297.742 2.058 20 5 CEBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000704249202 809725321 /nfs/dbraw/zinc/72/53/21/809725321.db2.gz KUVGIAJTVGYYHZ-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CSC1 ZINC000706450821 809821200 /nfs/dbraw/zinc/82/12/00/809821200.db2.gz GNFCQNQALKIUGR-UHFFFAOYSA-N 1 0 258.730 2.453 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000706499391 809827469 /nfs/dbraw/zinc/82/74/69/809827469.db2.gz LJUBFBZDHQTDFV-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708875445 809937346 /nfs/dbraw/zinc/93/73/46/809937346.db2.gz BOIQGLSZLCGDNX-MWLCHTKSSA-N 1 0 283.759 2.275 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710127085 809982284 /nfs/dbraw/zinc/98/22/84/809982284.db2.gz OBMCSTPBRKUFDB-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896479 810000053 /nfs/dbraw/zinc/00/00/53/810000053.db2.gz BGDJOGJQVANBGR-NHCYSSNCSA-N 1 0 250.298 2.280 20 5 CEBDRO C[C@@H](NC(=O)C[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001121841099 815359941 /nfs/dbraw/zinc/35/99/41/815359941.db2.gz PCTQQBCXSGJKRR-NQBHXWOUSA-N 1 0 291.351 2.018 20 5 CEBDRO [NH3+]C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001165242415 810401150 /nfs/dbraw/zinc/40/11/50/810401150.db2.gz ASBYIFUEBGJIMG-UHFFFAOYSA-N 1 0 296.758 2.351 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000824614965 810704282 /nfs/dbraw/zinc/70/42/82/810704282.db2.gz HGWBWKSBKNIYDD-LLVKDONJSA-N 1 0 294.355 2.142 20 5 CEBDRO CCOc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001154990951 810894807 /nfs/dbraw/zinc/89/48/07/810894807.db2.gz ZJWWQKBZXSAFMT-ZJUUUORDSA-N 1 0 280.328 2.070 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1csc([N+](=O)[O-])c1 ZINC001122509310 815419522 /nfs/dbraw/zinc/41/95/22/815419522.db2.gz UDUUKOQKZANHRH-SNVBAGLBSA-N 1 0 297.380 2.166 20 5 CEBDRO Cc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)ncc1[N+](=O)[O-] ZINC001155571857 811089863 /nfs/dbraw/zinc/08/98/63/811089863.db2.gz VRMNYIDSKHFXNQ-SECBINFHSA-N 1 0 291.336 2.011 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712338638 811197492 /nfs/dbraw/zinc/19/74/92/811197492.db2.gz VLWYKQXPDJVRQT-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])c2ccccc21)C1CC[NH2+]CC1 ZINC001156172694 811212584 /nfs/dbraw/zinc/21/25/84/811212584.db2.gz WAUGQUOTCYEVIP-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168980610 811307726 /nfs/dbraw/zinc/30/77/26/811307726.db2.gz DZEXJRKGHZQWBZ-FQUUOJAGSA-N 1 0 298.383 2.143 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001168981899 811309720 /nfs/dbraw/zinc/30/97/20/811309720.db2.gz HROJEVZCEYTHPJ-OLZOCXBDSA-N 1 0 275.352 2.148 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001168956287 811312017 /nfs/dbraw/zinc/31/20/17/811312017.db2.gz DGZLMSHGZQIACZ-RNCFNFMXSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1OC ZINC001168958522 811312421 /nfs/dbraw/zinc/31/24/21/811312421.db2.gz NUHPMXXFYZFUAO-AAEUAGOBSA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001168960017 811314175 /nfs/dbraw/zinc/31/41/75/811314175.db2.gz YZHYFTSMIRKHLW-ZJUUUORDSA-N 1 0 270.279 2.500 20 5 CEBDRO [NH3+]Cc1c(F)cccc1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967555 811318387 /nfs/dbraw/zinc/31/83/87/811318387.db2.gz QRJBNVZGDNSBKC-VHSXEESVSA-N 1 0 267.304 2.142 20 5 CEBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966284 811319154 /nfs/dbraw/zinc/31/91/54/811319154.db2.gz HMSSQOALLCCGFO-KBPBESRZSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC001168966359 811319403 /nfs/dbraw/zinc/31/94/03/811319403.db2.gz IGZLAZBXNMXOPV-VXGBXAGGSA-N 1 0 282.315 2.240 20 5 CEBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970852 811320723 /nfs/dbraw/zinc/32/07/23/811320723.db2.gz IYSOECQQPDVUQO-ZFWWWQNUSA-N 1 0 290.363 2.256 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999399 811326316 /nfs/dbraw/zinc/32/63/16/811326316.db2.gz SQRKWLVUWYOARG-GXFFZTMASA-N 1 0 280.299 2.043 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001169000897 811328300 /nfs/dbraw/zinc/32/83/00/811328300.db2.gz ZCXJWZLYIOYLOA-VXGBXAGGSA-N 1 0 278.356 2.143 20 5 CEBDRO Cn1ncc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc21 ZINC001169006203 811331486 /nfs/dbraw/zinc/33/14/86/811331486.db2.gz WNMFIHLIOHZFKO-JSGCOSHPSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC001169009912 811333606 /nfs/dbraw/zinc/33/36/06/811333606.db2.gz YTGNQFPZINFHCB-GYSYKLTISA-N 1 0 276.336 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCCCCCO)C1 ZINC001168988327 811337427 /nfs/dbraw/zinc/33/74/27/811337427.db2.gz QWUKFQVHDAUBQB-KGLIPLIRSA-N 1 0 272.389 2.354 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988305 811337586 /nfs/dbraw/zinc/33/75/86/811337586.db2.gz QSPGKYKGPDIGGF-ZYHUDNBSSA-N 1 0 282.315 2.369 20 5 CEBDRO COC(=O)CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168987990 811337619 /nfs/dbraw/zinc/33/76/19/811337619.db2.gz MEUKZIVTRUSWII-CHWSQXEVSA-N 1 0 298.383 2.287 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ncccn3)CC2)C1 ZINC001169033643 811345739 /nfs/dbraw/zinc/34/57/39/811345739.db2.gz CUVOGSAEDFVMSR-TZMCWYRMSA-N 1 0 290.367 2.101 20 5 CEBDRO C[N@H+](Cc1nccs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036554 811346070 /nfs/dbraw/zinc/34/60/70/811346070.db2.gz GMHOSYIXASCLED-ZJUUUORDSA-N 1 0 255.343 2.020 20 5 CEBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)o1 ZINC001169038867 811347696 /nfs/dbraw/zinc/34/76/96/811347696.db2.gz LBPTXJPPPRSDQQ-YNEHKIRRSA-N 1 0 294.355 2.003 20 5 CEBDRO C[NH2+]Cc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169025917 811354930 /nfs/dbraw/zinc/35/49/30/811354930.db2.gz JXLXVSVBNIHUEV-GXTWGEPZSA-N 1 0 263.341 2.263 20 5 CEBDRO C[N@H+](CCc1ccncc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023247 811355158 /nfs/dbraw/zinc/35/51/58/811355158.db2.gz DTVKZASAYCWSTO-KGLIPLIRSA-N 1 0 263.341 2.001 20 5 CEBDRO CC(C)[N@H+](CCCCCO)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047614 811356289 /nfs/dbraw/zinc/35/62/89/811356289.db2.gz RSNWXFGIMHXNCF-KBPBESRZSA-N 1 0 272.389 2.305 20 5 CEBDRO C[N@H+](Cc1cccc2c1OCO2)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169057054 811358069 /nfs/dbraw/zinc/35/80/69/811358069.db2.gz UPTHRWPRGITZOL-YPMHNXCESA-N 1 0 292.335 2.293 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)n1 ZINC001169231487 811446444 /nfs/dbraw/zinc/44/64/44/811446444.db2.gz KKFNMTRZRILVFB-MRVPVSSYSA-N 1 0 271.280 2.282 20 5 CEBDRO CN(C)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001169567260 811569308 /nfs/dbraw/zinc/56/93/08/811569308.db2.gz INAMKYBEIDQCOY-LLVKDONJSA-N 1 0 278.356 2.215 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169711255 811637092 /nfs/dbraw/zinc/63/70/92/811637092.db2.gz HNXVTTSKEFEFRY-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNc2cccc([N+](=O)[O-])n2)C1 ZINC001156378232 811666137 /nfs/dbraw/zinc/66/61/37/811666137.db2.gz JMKMXNWAWUQBPY-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC001172900547 815539455 /nfs/dbraw/zinc/53/94/55/815539455.db2.gz VLUAUYSGFRCUEH-SWLSCSKDSA-N 1 0 290.363 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@H]1CO)CC2 ZINC001172902395 815540369 /nfs/dbraw/zinc/54/03/69/815540369.db2.gz BEHAIGUPHSHCLL-HOCLYGCPSA-N 1 0 290.363 2.299 20 5 CEBDRO COCC1C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909622 815558107 /nfs/dbraw/zinc/55/81/07/815558107.db2.gz UBRRWQMMOVMRCJ-OAHLLOKOSA-N 1 0 290.363 2.420 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170865218 813560429 /nfs/dbraw/zinc/56/04/29/813560429.db2.gz KPJOOBYNVUYEEE-SNVBAGLBSA-N 1 0 293.245 2.083 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001170866736 813564417 /nfs/dbraw/zinc/56/44/17/813564417.db2.gz XRVDDTQEJPRGLG-CQSZACIVSA-N 1 0 275.308 2.217 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[C@H]2F)c1F ZINC001173180987 815617263 /nfs/dbraw/zinc/61/72/63/815617263.db2.gz AHHNOEGRKNIWMI-SZEHBUNVSA-N 1 0 286.278 2.374 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000712572011 814767390 /nfs/dbraw/zinc/76/73/90/814767390.db2.gz LHJAKHWLXPZQLW-SMDDNHRTSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001117254034 814910470 /nfs/dbraw/zinc/91/04/70/814910470.db2.gz SHHKNLKBIIACBZ-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CSC1 ZINC001173216358 815623344 /nfs/dbraw/zinc/62/33/44/815623344.db2.gz IXKAWAOLMHWTLK-VIFPVBQESA-N 1 0 252.339 2.231 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001173220727 815626071 /nfs/dbraw/zinc/62/60/71/815626071.db2.gz BXMLUBZNBXVQSY-UGFHNGPFSA-N 1 0 296.342 2.321 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC001173232369 815632762 /nfs/dbraw/zinc/63/27/62/815632762.db2.gz FSXBVZNHWBYEPW-CHWSQXEVSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1OCCO1 ZINC001173231286 815632867 /nfs/dbraw/zinc/63/28/67/815632867.db2.gz AUIFSEWFWXWKPJ-LBPRGKRZSA-N 1 0 294.351 2.221 20 5 CEBDRO CC(C)[C@](C)([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173212623 815635273 /nfs/dbraw/zinc/63/52/73/815635273.db2.gz BQNQNJSOUOASEN-NHYWBVRUSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnco1 ZINC001173212928 815635332 /nfs/dbraw/zinc/63/53/32/815635332.db2.gz CUYOSINGFXXKGD-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO C[NH+](C)CCCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001206286826 816487943 /nfs/dbraw/zinc/48/79/43/816487943.db2.gz OLYICIAWCBXEKM-AWEZNQCLSA-N 1 0 264.325 2.030 20 5 CEBDRO COC1(OC)CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001179641930 816888605 /nfs/dbraw/zinc/88/86/05/816888605.db2.gz VEIYCLFKVYQEBZ-UHFFFAOYSA-N 1 0 280.324 2.144 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601289587 346813747 /nfs/dbraw/zinc/81/37/47/346813747.db2.gz PIIULKWYNPQUSX-GMXVVIOVSA-N 1 0 264.325 2.325 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000127662854 187324378 /nfs/dbraw/zinc/32/43/78/187324378.db2.gz HUDMFLTZDMKDNW-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1O ZINC000449139017 282115484 /nfs/dbraw/zinc/11/54/84/282115484.db2.gz JQECVJLBNYJOLY-OSAQELSMSA-N 1 0 278.352 2.419 20 5 CEBDRO C[NH2+]CCCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000124913058 187160371 /nfs/dbraw/zinc/16/03/71/187160371.db2.gz PETWLVNQHSXFIX-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294961094 199272317 /nfs/dbraw/zinc/27/23/17/199272317.db2.gz FVOKOCKNHVKUAN-NEPJUHHUSA-N 1 0 293.367 2.469 20 5 CEBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCOC1 ZINC000079900734 343993296 /nfs/dbraw/zinc/99/32/96/343993296.db2.gz FIOVIRMROLAXBK-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO [NH3+]Cc1ccc2c(c1)N(Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000601324427 346821212 /nfs/dbraw/zinc/82/12/12/346821212.db2.gz LEFIRSSNXKBVJP-UHFFFAOYSA-N 1 0 299.330 2.453 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])C[C@H]1C ZINC000601329212 346822344 /nfs/dbraw/zinc/82/23/44/346822344.db2.gz HHWCSKNOGNPZDM-DGCLKSJQSA-N 1 0 293.367 2.304 20 5 CEBDRO C[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096811585 185115584 /nfs/dbraw/zinc/11/55/84/185115584.db2.gz PUFUNUAAUTXTBD-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644468 361917711 /nfs/dbraw/zinc/91/77/11/361917711.db2.gz YZPNEGIXXKQZIR-AWEZNQCLSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000037668392 361919120 /nfs/dbraw/zinc/91/91/20/361919120.db2.gz RTALSCDTFWTLDZ-LALPHHSUSA-N 1 0 277.368 2.413 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cccnc1 ZINC000037717918 361924340 /nfs/dbraw/zinc/92/43/40/361924340.db2.gz BQMSXGDYRCCGFP-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000080250172 344004431 /nfs/dbraw/zinc/00/44/31/344004431.db2.gz WJBJTUPVMONLNX-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766565 361932475 /nfs/dbraw/zinc/93/24/75/361932475.db2.gz IBZFGDZHDUGURI-ZWNOBZJWSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775633 361935771 /nfs/dbraw/zinc/93/57/71/361935771.db2.gz WIRQQOPGSJJKOA-VIFPVBQESA-N 1 0 260.297 2.477 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810259 361947932 /nfs/dbraw/zinc/94/79/32/361947932.db2.gz TTWLHCOXFOXPRR-LBPRGKRZSA-N 1 0 279.340 2.071 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341645 282193432 /nfs/dbraw/zinc/19/34/32/282193432.db2.gz ZULSRKXVSHTFCZ-GXTWGEPZSA-N 1 0 296.367 2.167 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170863694 282200266 /nfs/dbraw/zinc/20/02/66/282200266.db2.gz IVVUGUJEEAAERW-SNVBAGLBSA-N 1 0 297.742 2.024 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000126002408 365694463 /nfs/dbraw/zinc/69/44/63/365694463.db2.gz PXRABQPIOHNJOE-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000273157946 192059852 /nfs/dbraw/zinc/05/98/52/192059852.db2.gz BETMHLIWWQFPID-NSHDSACASA-N 1 0 293.367 2.378 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000294988279 199287156 /nfs/dbraw/zinc/28/71/56/199287156.db2.gz HKOFYRQPPSCSED-OPQQBVKSSA-N 1 0 280.324 2.259 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046058570 362173919 /nfs/dbraw/zinc/17/39/19/362173919.db2.gz LYWMBPLZOCGDOI-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](CO)C1 ZINC000033394673 343417781 /nfs/dbraw/zinc/41/77/81/343417781.db2.gz VYUHYWOLTOTBRN-IRBQFCFKSA-N 1 0 276.336 2.312 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310365 343449712 /nfs/dbraw/zinc/44/97/12/343449712.db2.gz XFDZLZZQNDDYOZ-LLVKDONJSA-N 1 0 294.355 2.447 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046880059 343505835 /nfs/dbraw/zinc/50/58/35/343505835.db2.gz ZKJBXYSRWVELJQ-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444298 343499538 /nfs/dbraw/zinc/49/95/38/343499538.db2.gz JVHOASRTMNMORA-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000053297658 343573744 /nfs/dbraw/zinc/57/37/44/343573744.db2.gz WWUPOJPTULBFSJ-NWDGAFQWSA-N 1 0 262.313 2.029 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601969815 346946420 /nfs/dbraw/zinc/94/64/20/346946420.db2.gz FNPYAWDQDGYJFP-DURLZJIISA-N 1 0 287.363 2.340 20 5 CEBDRO COCC(COC)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449547349 282279452 /nfs/dbraw/zinc/27/94/52/282279452.db2.gz XRSVGRAXOLMVBX-LBPRGKRZSA-N 1 0 296.367 2.167 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295025807 199306860 /nfs/dbraw/zinc/30/68/60/199306860.db2.gz CQDAJSFPBPINRS-AWEZNQCLSA-N 1 0 264.325 2.453 20 5 CEBDRO COC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000053906853 343581647 /nfs/dbraw/zinc/58/16/47/343581647.db2.gz FCZPOJURTXBVNK-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[NH2+]CC1 ZINC000601979800 346948650 /nfs/dbraw/zinc/94/86/50/346948650.db2.gz CEVRGKZVDZSZHG-SNVBAGLBSA-N 1 0 265.313 2.157 20 5 CEBDRO CCc1nn(C)c(N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000357576074 529767715 /nfs/dbraw/zinc/76/77/15/529767715.db2.gz CUUNPPWXCIHDIW-JTQLQIEISA-N 1 0 283.376 2.031 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000060488482 343659431 /nfs/dbraw/zinc/65/94/31/343659431.db2.gz COMVLXFLEKEODZ-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000063836534 343685385 /nfs/dbraw/zinc/68/53/85/343685385.db2.gz ZZJRWISOETXTIX-LBPRGKRZSA-N 1 0 291.351 2.055 20 5 CEBDRO CC[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000067682853 343741712 /nfs/dbraw/zinc/74/17/12/343741712.db2.gz KFUNKHIIDITNBH-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000078379651 343950652 /nfs/dbraw/zinc/95/06/52/343950652.db2.gz DQOLWOCAPDFOHG-ZDUSSCGKSA-N 1 0 293.367 2.364 20 5 CEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1COC ZINC000091461685 344164341 /nfs/dbraw/zinc/16/43/41/344164341.db2.gz ACFUREMDSXDNKJ-UHFFFAOYSA-N 1 0 267.329 2.105 20 5 CEBDRO COc1cc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000091481626 344164897 /nfs/dbraw/zinc/16/48/97/344164897.db2.gz DWGLFIGWEFLHOY-CYBMUJFWSA-N 1 0 297.330 2.495 20 5 CEBDRO COc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000091481830 344164987 /nfs/dbraw/zinc/16/49/87/344164987.db2.gz QVLMBFAZGLMPGM-ZDUSSCGKSA-N 1 0 297.330 2.495 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602443917 347035794 /nfs/dbraw/zinc/03/57/94/347035794.db2.gz BDCHMKQSUHTZMH-AWEZNQCLSA-N 1 0 293.367 2.017 20 5 CEBDRO Cn1cc(C[N@H+](C)CCc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602449917 347037639 /nfs/dbraw/zinc/03/76/39/347037639.db2.gz UGNHBXRDZKWRDS-UHFFFAOYSA-N 1 0 292.314 2.142 20 5 CEBDRO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284694 344306033 /nfs/dbraw/zinc/30/60/33/344306033.db2.gz YAQZHOSSXLACAI-YPMHNXCESA-N 1 0 263.341 2.154 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133763050 344370262 /nfs/dbraw/zinc/37/02/62/344370262.db2.gz UUJKNIOFFAHIDG-NSHDSACASA-N 1 0 279.340 2.500 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159336518 344454684 /nfs/dbraw/zinc/45/46/84/344454684.db2.gz WFMRGCBSYIUBEJ-GHMZBOCLSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000211108552 344531543 /nfs/dbraw/zinc/53/15/43/344531543.db2.gz CADXFFPPWORCBO-SNVBAGLBSA-N 1 0 250.298 2.018 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965017 344569611 /nfs/dbraw/zinc/56/96/11/344569611.db2.gz HBRHVHRCQRFSCC-LBPRGKRZSA-N 1 0 275.312 2.035 20 5 CEBDRO Cc1c(CN2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051536039 362431086 /nfs/dbraw/zinc/43/10/86/362431086.db2.gz HXWRIMYNZKEPHS-UHFFFAOYSA-N 1 0 277.368 2.429 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000051924461 362451232 /nfs/dbraw/zinc/45/12/32/362451232.db2.gz VFFHXEQQVBIJIA-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602502725 347059311 /nfs/dbraw/zinc/05/93/11/347059311.db2.gz MEFVBZBKJOFPTN-LLVKDONJSA-N 1 0 290.367 2.347 20 5 CEBDRO CCc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237139846 344600249 /nfs/dbraw/zinc/60/02/49/344600249.db2.gz RNECMYUMOWAMIB-ZDUSSCGKSA-N 1 0 291.351 2.029 20 5 CEBDRO COc1ccc(C[NH2+]C2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000053097401 362481137 /nfs/dbraw/zinc/48/11/37/362481137.db2.gz SQBPYOHXFRIGHN-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCCCC2)c1 ZINC000053096240 362481560 /nfs/dbraw/zinc/48/15/60/362481560.db2.gz ZBULMDUYAKQAFK-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CC1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602516306 347063504 /nfs/dbraw/zinc/06/35/04/347063504.db2.gz YCTDYBKMEOXALR-UHFFFAOYSA-N 1 0 291.395 2.459 20 5 CEBDRO C[C@@H]1CCCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602515645 347063844 /nfs/dbraw/zinc/06/38/44/347063844.db2.gz RCXCOAWLMGUOOC-CQSZACIVSA-N 1 0 291.395 2.459 20 5 CEBDRO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251909505 344637982 /nfs/dbraw/zinc/63/79/82/344637982.db2.gz XPAPEKSISHHOGV-WDEREUQCSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000310684743 344731104 /nfs/dbraw/zinc/73/11/04/344731104.db2.gz LGNZTHFCJPHUSB-JGVFFNPUSA-N 1 0 270.720 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2nccs2)cc1 ZINC000602531541 347068694 /nfs/dbraw/zinc/06/86/94/347068694.db2.gz JFZWIVRTYDJSDF-UHFFFAOYSA-N 1 0 277.349 2.426 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000313796242 344743199 /nfs/dbraw/zinc/74/31/99/344743199.db2.gz FBAIQKYUGIAYTF-CQSZACIVSA-N 1 0 293.342 2.404 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561105 347077769 /nfs/dbraw/zinc/07/77/69/347077769.db2.gz COTLNPMAUNZUOS-DGCLKSJQSA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000602567126 347081113 /nfs/dbraw/zinc/08/11/13/347081113.db2.gz VBWPXMLOLUXKPP-OAHLLOKOSA-N 1 0 289.379 2.211 20 5 CEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+](C2CCC2)C1 ZINC000589877287 345103905 /nfs/dbraw/zinc/10/39/05/345103905.db2.gz APANXDLBZCWDEW-GFCCVEGCSA-N 1 0 290.367 2.300 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590402723 345133478 /nfs/dbraw/zinc/13/34/78/345133478.db2.gz FBEYNEFEMUVEPP-WCBMZHEXSA-N 1 0 297.380 2.129 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[NH2+]CC1 ZINC000591278459 345236759 /nfs/dbraw/zinc/23/67/59/345236759.db2.gz DMDXDZLMNBCGIJ-ZDUSSCGKSA-N 1 0 293.367 2.225 20 5 CEBDRO CC1(C)CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000591444520 345256423 /nfs/dbraw/zinc/25/64/23/345256423.db2.gz DBANCXJNXOPIJO-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591447815 345257227 /nfs/dbraw/zinc/25/72/27/345257227.db2.gz AFRPJZWGTKEJGJ-LALPHHSUSA-N 1 0 275.352 2.340 20 5 CEBDRO Cc1ccc([C@@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591579937 345266733 /nfs/dbraw/zinc/26/67/33/345266733.db2.gz ANGZKXFEHYRMIG-WXHSDQCUSA-N 1 0 281.331 2.254 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000591579986 345266824 /nfs/dbraw/zinc/26/68/24/345266824.db2.gz DGKQLHSNRLUVEZ-HUBLWGQQSA-N 1 0 293.342 2.262 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000591757334 345277903 /nfs/dbraw/zinc/27/79/03/345277903.db2.gz OCTJTYAEBPYWFG-WCQYABFASA-N 1 0 294.351 2.113 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592331757 345342978 /nfs/dbraw/zinc/34/29/78/345342978.db2.gz ZCLMPKDWOJNIEU-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[C@@H]1[NH3+] ZINC000592330923 345343094 /nfs/dbraw/zinc/34/30/94/345343094.db2.gz FIBBMBXRRSGONF-UWVGGRQHSA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592432814 345352735 /nfs/dbraw/zinc/35/27/35/345352735.db2.gz VCMVQLUQHVUCGH-IUODEOHRSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000127402968 187302529 /nfs/dbraw/zinc/30/25/29/187302529.db2.gz DHJGYXZOURRJKT-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593039326 345427227 /nfs/dbraw/zinc/42/72/27/345427227.db2.gz QPGANBNEEWDYCD-UHFFFAOYSA-N 1 0 289.335 2.212 20 5 CEBDRO C[C@@H](CO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593082185 345435458 /nfs/dbraw/zinc/43/54/58/345435458.db2.gz GYCQGQVHCSNSDH-ZDUSSCGKSA-N 1 0 292.379 2.478 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592745586 345392501 /nfs/dbraw/zinc/39/25/01/345392501.db2.gz AZTYBNYRXXSXGY-GHMZBOCLSA-N 1 0 277.324 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]2CCC1CC2 ZINC000593472672 345493263 /nfs/dbraw/zinc/49/32/63/345493263.db2.gz BNKWAWGBUQRGOE-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440168 178890068 /nfs/dbraw/zinc/89/00/68/178890068.db2.gz WLGDMYBOXFFCQQ-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594601268 345657144 /nfs/dbraw/zinc/65/71/44/345657144.db2.gz NDBPXIXBBBUNHV-VHSXEESVSA-N 1 0 282.369 2.480 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCCC1 ZINC000594738623 345682466 /nfs/dbraw/zinc/68/24/66/345682466.db2.gz IMQFEUMTJVPQIY-UHFFFAOYSA-N 1 0 293.367 2.355 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C\CO)C1CC1 ZINC000595066827 345738679 /nfs/dbraw/zinc/73/86/79/345738679.db2.gz FIQRKDVUWOLWOR-NQHOJNORSA-N 1 0 276.336 2.054 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950984 345714425 /nfs/dbraw/zinc/71/44/25/345714425.db2.gz LQZICFUELVKVRY-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@@H]2CC2(F)F)cs1 ZINC000594970134 345719802 /nfs/dbraw/zinc/71/98/02/345719802.db2.gz CMBKYTWBCPUMAW-MRVPVSSYSA-N 1 0 278.280 2.170 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+]1CCCC1 ZINC000595002948 345723686 /nfs/dbraw/zinc/72/36/86/345723686.db2.gz CEKRHEKXLDRNSS-LBPRGKRZSA-N 1 0 293.367 2.350 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000595020352 345728946 /nfs/dbraw/zinc/72/89/46/345728946.db2.gz XAOZXNIDGGIOHE-GFCCVEGCSA-N 1 0 292.335 2.275 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000595041015 345733394 /nfs/dbraw/zinc/73/33/94/345733394.db2.gz OMFIYCBCZVXVBB-LOWVWBTDSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@@H](C)O ZINC000595044932 345733913 /nfs/dbraw/zinc/73/39/13/345733913.db2.gz ALSOEMNLWKOBLK-GHMZBOCLSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000595046478 345734166 /nfs/dbraw/zinc/73/41/66/345734166.db2.gz ZYGKULODMDVESP-RULNRJAQSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000595050075 345734852 /nfs/dbraw/zinc/73/48/52/345734852.db2.gz FSLDSKYKTMHCDG-OASPWFOLSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000595056957 345736204 /nfs/dbraw/zinc/73/62/04/345736204.db2.gz UNOIJCXIORVZCX-IINYFYTJSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539950 345807114 /nfs/dbraw/zinc/80/71/14/345807114.db2.gz FJCDIGPNRXQLNF-ZYHUDNBSSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595313118 345760622 /nfs/dbraw/zinc/76/06/22/345760622.db2.gz WLOAXLQLFLJMPN-SNVBAGLBSA-N 1 0 278.287 2.109 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595592635 345820755 /nfs/dbraw/zinc/82/07/55/345820755.db2.gz HLFCYIPNSLIFTC-TZMCWYRMSA-N 1 0 296.367 2.455 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595450635 345785987 /nfs/dbraw/zinc/78/59/87/345785987.db2.gz UQDMWRMIPVUSRN-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO Cc1noc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000595458031 345788512 /nfs/dbraw/zinc/78/85/12/345788512.db2.gz PICUUCTZLOHVAV-AWEZNQCLSA-N 1 0 297.355 2.264 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595598808 345822032 /nfs/dbraw/zinc/82/20/32/345822032.db2.gz GXISXVLXLPDRAM-CHWSQXEVSA-N 1 0 296.367 2.455 20 5 CEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595731401 345861924 /nfs/dbraw/zinc/86/19/24/345861924.db2.gz FRSIKEQCCJTZEU-YABSGUDNSA-N 1 0 264.325 2.044 20 5 CEBDRO Cc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000595657169 345839607 /nfs/dbraw/zinc/83/96/07/345839607.db2.gz JGBOZLXIPOQBJI-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595835066 345891236 /nfs/dbraw/zinc/89/12/36/345891236.db2.gz UJIREJGUBSROEL-UONOGXRCSA-N 1 0 276.336 2.372 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595773950 345873193 /nfs/dbraw/zinc/87/31/93/345873193.db2.gz YEGDBGCTQRJKRZ-IUODEOHRSA-N 1 0 294.351 2.209 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595808946 345881006 /nfs/dbraw/zinc/88/10/06/345881006.db2.gz PJQXIGAABYYBRN-RYUDHWBXSA-N 1 0 292.335 2.324 20 5 CEBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000595857979 345899677 /nfs/dbraw/zinc/89/96/77/345899677.db2.gz PMUIULGVRQDFHM-YOGCLGLASA-N 1 0 264.329 2.054 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1([NH3+])CC1 ZINC000595929790 345914389 /nfs/dbraw/zinc/91/43/89/345914389.db2.gz UHGFYKGPOSYMTD-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000596244832 345979136 /nfs/dbraw/zinc/97/91/36/345979136.db2.gz SYMGOBPORCZGFF-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000596269620 345986210 /nfs/dbraw/zinc/98/62/10/345986210.db2.gz VPQCCFJVENMZLQ-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO O=c1[nH]ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298130 345994110 /nfs/dbraw/zinc/99/41/10/345994110.db2.gz UQSBXJJWKZOILP-CMPLNLGQSA-N 1 0 292.339 2.124 20 5 CEBDRO C[C@@H](CCNc1nccc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000596430197 346021345 /nfs/dbraw/zinc/02/13/45/346021345.db2.gz JWNSOZSJXUESOK-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO Cc1cc(NCCN2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433993 346022460 /nfs/dbraw/zinc/02/24/60/346022460.db2.gz WCNXOMWLJMVEGM-VHSXEESVSA-N 1 0 299.396 2.486 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596308451 345995976 /nfs/dbraw/zinc/99/59/76/345995976.db2.gz SLPRQRXIOOWCPF-LBPRGKRZSA-N 1 0 292.383 2.252 20 5 CEBDRO C[NH+](C)CCC[C@H]1CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000596568625 346057197 /nfs/dbraw/zinc/05/71/97/346057197.db2.gz SJUOEMXOCGKASF-NSHDSACASA-N 1 0 299.396 2.203 20 5 CEBDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000128332006 187365032 /nfs/dbraw/zinc/36/50/32/187365032.db2.gz FTTJIEKBKOXMAP-CQSZACIVSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000597701580 346218775 /nfs/dbraw/zinc/21/87/75/346218775.db2.gz UUUCRRUDTIVYLB-AAEUAGOBSA-N 1 0 291.351 2.068 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000598343463 346332026 /nfs/dbraw/zinc/33/20/26/346332026.db2.gz VXFAURJRGJZEEO-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000598915192 346433449 /nfs/dbraw/zinc/43/34/49/346433449.db2.gz JXTVPXCCSRGJLZ-MRVPVSSYSA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCN1C ZINC000598993932 346443587 /nfs/dbraw/zinc/44/35/87/346443587.db2.gz USNOXUNRZMOOLW-CQSZACIVSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000599081763 346457243 /nfs/dbraw/zinc/45/72/43/346457243.db2.gz MKPGVPZKUDZUFZ-GLQYFDAESA-N 1 0 290.363 2.276 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2COC2)cccc1[N+](=O)[O-] ZINC000599080782 346457301 /nfs/dbraw/zinc/45/73/01/346457301.db2.gz KEYRXCBTBVOBHD-JTQLQIEISA-N 1 0 250.298 2.200 20 5 CEBDRO O=c1[nH]cccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599086916 346458691 /nfs/dbraw/zinc/45/86/91/346458691.db2.gz BGJKUKGDFRNOCY-ZDUSSCGKSA-N 1 0 285.303 2.473 20 5 CEBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000599094726 346459805 /nfs/dbraw/zinc/45/98/05/346459805.db2.gz LLBOAIRJIGACGM-LBPRGKRZSA-N 1 0 299.321 2.369 20 5 CEBDRO COC(=O)CCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404965 346514614 /nfs/dbraw/zinc/51/46/14/346514614.db2.gz OMRJPIAVYRWHGN-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599656471 346557129 /nfs/dbraw/zinc/55/71/29/346557129.db2.gz VPTLHIYCCPPHMR-BETUJISGSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)C1(F)F ZINC000599513319 346531017 /nfs/dbraw/zinc/53/10/17/346531017.db2.gz SAVZDUUBSZMEIE-UWVGGRQHSA-N 1 0 288.298 2.014 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cccc1[N+](=O)[O-] ZINC000599593962 346542903 /nfs/dbraw/zinc/54/29/03/346542903.db2.gz IDLLYEQFDPQETQ-GXSJLCMTSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(C)COC1 ZINC000600190758 346619022 /nfs/dbraw/zinc/61/90/22/346619022.db2.gz MFWYJIDEIGFDPZ-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO C/C=C/C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599692348 346569306 /nfs/dbraw/zinc/56/93/06/346569306.db2.gz VEKQUKLTPJRIIQ-YWVDXFKGSA-N 1 0 278.356 2.470 20 5 CEBDRO C[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600677258 346671901 /nfs/dbraw/zinc/67/19/01/346671901.db2.gz BPKMYUMWZICYSJ-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600681649 346672476 /nfs/dbraw/zinc/67/24/76/346672476.db2.gz ZVYJEIYTKVOIQH-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CCC1 ZINC000600825977 346697598 /nfs/dbraw/zinc/69/75/98/346697598.db2.gz KSTKDJKYILDKFF-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000601111684 346756131 /nfs/dbraw/zinc/75/61/31/346756131.db2.gz XUHFGTYJZLYUEE-SNVBAGLBSA-N 1 0 285.369 2.179 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000128452984 187371289 /nfs/dbraw/zinc/37/12/89/187371289.db2.gz RTZJLHOQOIYIEO-PWSUYJOCSA-N 1 0 250.298 2.252 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601159967 346772936 /nfs/dbraw/zinc/77/29/36/346772936.db2.gz OQWCCTDWOAXAPB-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165439 346774436 /nfs/dbraw/zinc/77/44/36/346774436.db2.gz OLHUGMQJKCCROM-ZYHUDNBSSA-N 1 0 294.330 2.192 20 5 CEBDRO C[C@@H](CCCO)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170713 346776139 /nfs/dbraw/zinc/77/61/39/346776139.db2.gz VLVGVMXSBGGPBO-NSHDSACASA-N 1 0 289.335 2.385 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CCO)c(F)c1 ZINC000336813841 365855092 /nfs/dbraw/zinc/85/50/92/365855092.db2.gz VQBBOBIEJXEVGS-NSHDSACASA-N 1 0 268.288 2.081 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000601099653 346752751 /nfs/dbraw/zinc/75/27/51/346752751.db2.gz CUDKWARTMJIEJV-LLVKDONJSA-N 1 0 294.286 2.437 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601104575 346753524 /nfs/dbraw/zinc/75/35/24/346753524.db2.gz ATGRJBRUZAJHDO-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602675416 347137349 /nfs/dbraw/zinc/13/73/49/347137349.db2.gz IOIAXDFJAFFYMX-LLVKDONJSA-N 1 0 291.307 2.347 20 5 CEBDRO COCC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689577 347148656 /nfs/dbraw/zinc/14/86/56/347148656.db2.gz XSHFUPSYWASBHI-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCC2(O)CCC2)cc1 ZINC000602700228 347156806 /nfs/dbraw/zinc/15/68/06/347156806.db2.gz UGDCVRHVKURZEQ-UHFFFAOYSA-N 1 0 278.352 2.422 20 5 CEBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819979 347212298 /nfs/dbraw/zinc/21/22/98/347212298.db2.gz VYWUIWQBXZBHLQ-AWEZNQCLSA-N 1 0 296.371 2.109 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000602787048 347198207 /nfs/dbraw/zinc/19/82/07/347198207.db2.gz GKCDCCRHBCPVRJ-SNVBAGLBSA-N 1 0 266.345 2.220 20 5 CEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796766 347203309 /nfs/dbraw/zinc/20/33/09/347203309.db2.gz CSFMGCJSGUOFOZ-UWVGGRQHSA-N 1 0 266.345 2.243 20 5 CEBDRO CCC[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602811933 347210179 /nfs/dbraw/zinc/21/01/79/347210179.db2.gz ZZISHNDHTFSJQZ-LBPRGKRZSA-N 1 0 266.345 2.483 20 5 CEBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836916 347218858 /nfs/dbraw/zinc/21/88/58/347218858.db2.gz INTPTAFXHKLMBL-VIFPVBQESA-N 1 0 252.318 2.091 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000602981401 347264641 /nfs/dbraw/zinc/26/46/41/347264641.db2.gz CNQPLVTZCMTTDC-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[NH2+]Cc1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603250098 347321436 /nfs/dbraw/zinc/32/14/36/347321436.db2.gz JQALIMYWUYSJKR-NSHDSACASA-N 1 0 289.339 2.214 20 5 CEBDRO Cc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)ncc1[N+](=O)[O-] ZINC000603407803 347362154 /nfs/dbraw/zinc/36/21/54/347362154.db2.gz XOPBYQIMZZGIED-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO CN1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000608836139 347622553 /nfs/dbraw/zinc/62/25/53/347622553.db2.gz SBZLAYQSWKKYQX-HJHHMULASA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000608909449 347623614 /nfs/dbraw/zinc/62/36/14/347623614.db2.gz QOWIOFQSWLPEEA-SNVBAGLBSA-N 1 0 267.354 2.331 20 5 CEBDRO O=[N+]([O-])c1ncccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909579 347623862 /nfs/dbraw/zinc/62/38/62/347623862.db2.gz YPERDRJMRNCKJE-UHFFFAOYSA-N 1 0 282.263 2.314 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609350938 347636187 /nfs/dbraw/zinc/63/61/87/347636187.db2.gz XOHJUHXTDZFDSR-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)cn1 ZINC000609417416 347639106 /nfs/dbraw/zinc/63/91/06/347639106.db2.gz HZSNWMOVDZDLEF-CYBMUJFWSA-N 1 0 288.351 2.221 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610111959 347660739 /nfs/dbraw/zinc/66/07/39/347660739.db2.gz NDHMBCFVVITVEV-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO C[C@H](C1CC1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000610476255 347683302 /nfs/dbraw/zinc/68/33/02/347683302.db2.gz QMVIHWRNLRSLSO-SECBINFHSA-N 1 0 264.329 2.091 20 5 CEBDRO COC1CC[NH+](CCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000610573474 347692918 /nfs/dbraw/zinc/69/29/18/347692918.db2.gz HSLHHMRZUQRJNF-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO COC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610605294 347696029 /nfs/dbraw/zinc/69/60/29/347696029.db2.gz WIZJSHQURDEMRF-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cccnc1[N+](=O)[O-] ZINC000610282737 347669732 /nfs/dbraw/zinc/66/97/32/347669732.db2.gz QGJFHLGOHVKJSI-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO O=[N+]([O-])c1ccsc1NCCN1CCSCC1 ZINC000611412017 347775462 /nfs/dbraw/zinc/77/54/62/347775462.db2.gz OEKLFDOHNRXMHW-UHFFFAOYSA-N 1 0 273.383 2.117 20 5 CEBDRO Cc1ccc(C[N@H+](CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000611271619 347761156 /nfs/dbraw/zinc/76/11/56/347761156.db2.gz SYUVCZKEPBQCCI-UHFFFAOYSA-N 1 0 264.325 2.250 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(SCC[NH+](C)C)n1 ZINC000611617087 347799725 /nfs/dbraw/zinc/79/97/25/347799725.db2.gz CHSKNZWDXUHKRL-UHFFFAOYSA-N 1 0 255.343 2.260 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000336848590 365924408 /nfs/dbraw/zinc/92/44/08/365924408.db2.gz LIQDZWRWOSTHAN-NEPJUHHUSA-N 1 0 293.371 2.158 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612582076 347904402 /nfs/dbraw/zinc/90/44/02/347904402.db2.gz RLLIGDJGUYYGQP-NWANDNLSSA-N 1 0 276.336 2.106 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336889109 365935275 /nfs/dbraw/zinc/93/52/75/365935275.db2.gz FWYHMUQCRNIMIM-IINYFYTJSA-N 1 0 282.315 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCOCC2)cc1 ZINC000086874104 179364901 /nfs/dbraw/zinc/36/49/01/179364901.db2.gz HBIBCNUYMLEOAF-ZDUSSCGKSA-N 1 0 264.325 2.296 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3CCO)nc2c1 ZINC000614597255 348220421 /nfs/dbraw/zinc/22/04/21/348220421.db2.gz FLJYGCJQWFSVGH-SNVBAGLBSA-N 1 0 291.307 2.083 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000066378587 362862494 /nfs/dbraw/zinc/86/24/94/362862494.db2.gz MUAIJDJLQYNTRH-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO Cc1nn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770362 299152759 /nfs/dbraw/zinc/15/27/59/299152759.db2.gz UIHCVSVZTRPOEN-QWRGUYRKSA-N 1 0 280.372 2.386 20 5 CEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450420996 282603018 /nfs/dbraw/zinc/60/30/18/282603018.db2.gz CYBTVFGJPWDFGW-NSHDSACASA-N 1 0 278.356 2.156 20 5 CEBDRO COc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496349 348336634 /nfs/dbraw/zinc/33/66/34/348336634.db2.gz YMXFBFBAZNXQDA-MNOVXSKESA-N 1 0 279.340 2.132 20 5 CEBDRO COC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832921 362889128 /nfs/dbraw/zinc/88/91/28/362889128.db2.gz WRKWNQUBHIBKKW-ZDUSSCGKSA-N 1 0 292.335 2.022 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273460102 192159531 /nfs/dbraw/zinc/15/95/31/192159531.db2.gz MTWWPBAOWGKJQZ-VIFPVBQESA-N 1 0 298.318 2.196 20 5 CEBDRO C[C@@H](C(=O)N(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617760459 348784273 /nfs/dbraw/zinc/78/42/73/348784273.db2.gz HTHCWVXHWFEWDN-GFCCVEGCSA-N 1 0 293.367 2.108 20 5 CEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[NH+]1C ZINC000339619786 215273374 /nfs/dbraw/zinc/27/33/74/215273374.db2.gz QTJHTKYISLHSDQ-UWVGGRQHSA-N 1 0 299.321 2.397 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000619783606 349236327 /nfs/dbraw/zinc/23/63/27/349236327.db2.gz USWOERIWYSYCKZ-VIFPVBQESA-N 1 0 266.326 2.204 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538996 180000592 /nfs/dbraw/zinc/00/05/92/180000592.db2.gz CKHCBACLLVIODI-GHMZBOCLSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1cnc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090692212 180024401 /nfs/dbraw/zinc/02/44/01/180024401.db2.gz SKXGRRXDACSPKJ-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000090738845 180034831 /nfs/dbraw/zinc/03/48/31/180034831.db2.gz UWKJXUSIYQAAEL-RNCFNFMXSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104686195 186014210 /nfs/dbraw/zinc/01/42/10/186014210.db2.gz ZUCMCYJEXCOFRR-LLVKDONJSA-N 1 0 291.351 2.214 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CC)CC1 ZINC000091557593 180190687 /nfs/dbraw/zinc/19/06/87/180190687.db2.gz NJPXLHJLYLDZPV-UHFFFAOYSA-N 1 0 281.360 2.016 20 5 CEBDRO CCc1nn(C)c(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000091561666 180192185 /nfs/dbraw/zinc/19/21/85/180192185.db2.gz GNWIEYKNIBWCGH-UHFFFAOYSA-N 1 0 295.387 2.035 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000271350023 191087900 /nfs/dbraw/zinc/08/79/00/191087900.db2.gz POHBGCNALSNCDW-OCCSQVGLSA-N 1 0 264.325 2.106 20 5 CEBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@@H]21 ZINC000339721059 215313556 /nfs/dbraw/zinc/31/35/56/215313556.db2.gz VERHMDYVQSOAGK-NWDGAFQWSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000493710060 290900155 /nfs/dbraw/zinc/90/01/55/290900155.db2.gz RTNHERNHZZZONK-LSDHHAIUSA-N 1 0 294.351 2.114 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)CC ZINC000106449005 186117707 /nfs/dbraw/zinc/11/77/07/186117707.db2.gz CCNDYMMKFJMZCL-CQSZACIVSA-N 1 0 282.340 2.244 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000130580352 365969225 /nfs/dbraw/zinc/96/92/25/365969225.db2.gz VHNFJZMUXKOQFC-GHMZBOCLSA-N 1 0 280.324 2.118 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000130580140 365969743 /nfs/dbraw/zinc/96/97/43/365969743.db2.gz VHNFJZMUXKOQFC-WDEREUQCSA-N 1 0 280.324 2.118 20 5 CEBDRO CCOc1cc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000111050063 186348416 /nfs/dbraw/zinc/34/84/16/186348416.db2.gz WFBCCTOIUONHOX-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO CCC(O)(CC)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111158820 186362008 /nfs/dbraw/zinc/36/20/08/186362008.db2.gz SDPBHXMLXWQTRW-UHFFFAOYSA-N 1 0 258.343 2.297 20 5 CEBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000116131348 186696685 /nfs/dbraw/zinc/69/66/85/186696685.db2.gz WESCVAKLMIKAAZ-LLVKDONJSA-N 1 0 297.355 2.284 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074507 363026838 /nfs/dbraw/zinc/02/68/38/363026838.db2.gz SKIOAHYSDCMWAM-YPMHNXCESA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000070171981 363045030 /nfs/dbraw/zinc/04/50/30/363045030.db2.gz WMOHZRSPFXHXFI-GXSJLCMTSA-N 1 0 269.370 2.216 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070253366 363062414 /nfs/dbraw/zinc/06/24/14/363062414.db2.gz LEXHTPLXOVXEQK-GFCCVEGCSA-N 1 0 289.335 2.231 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000070479439 363091103 /nfs/dbraw/zinc/09/11/03/363091103.db2.gz IVOWSWUIEJPJPK-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000070495824 363090846 /nfs/dbraw/zinc/09/08/46/363090846.db2.gz YNYIUPUMPCNHOX-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO CC[N@H+](CCNc1nc(C)ccc1[N+](=O)[O-])C(C)C ZINC000124106963 187122536 /nfs/dbraw/zinc/12/25/36/187122536.db2.gz BBEFXELDIWRFDG-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000123695628 187104595 /nfs/dbraw/zinc/10/45/95/187104595.db2.gz AOULJMSNCHINLH-ZDUSSCGKSA-N 1 0 265.357 2.400 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123694933 187104834 /nfs/dbraw/zinc/10/48/34/187104834.db2.gz ODXBOILVDCZMMY-CQSZACIVSA-N 1 0 265.357 2.400 20 5 CEBDRO COC(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000292123274 198171671 /nfs/dbraw/zinc/17/16/71/198171671.db2.gz KLZJKAKHNQAMRB-UHFFFAOYSA-N 1 0 268.313 2.038 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000271588778 191228709 /nfs/dbraw/zinc/22/87/09/191228709.db2.gz SUTKMSGCTVSCPQ-QWRGUYRKSA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292131609 198175319 /nfs/dbraw/zinc/17/53/19/198175319.db2.gz LFQXSRLETYHURS-MRXNPFEDSA-N 1 0 289.379 2.431 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271623012 191246711 /nfs/dbraw/zinc/24/67/11/191246711.db2.gz XWHJPZYFYCNGHM-MNOVXSKESA-N 1 0 252.318 2.054 20 5 CEBDRO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000271649190 191258326 /nfs/dbraw/zinc/25/83/26/191258326.db2.gz ITQWRSWIXPKOCA-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000152631964 188032993 /nfs/dbraw/zinc/03/29/93/188032993.db2.gz GITDJQRVHJZDQJ-JSGCOSHPSA-N 1 0 278.356 2.373 20 5 CEBDRO CCN(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158757788 188393266 /nfs/dbraw/zinc/39/32/66/188393266.db2.gz YSBNVRQXNXAWJI-HNNXBMFYSA-N 1 0 291.395 2.457 20 5 CEBDRO C[C@H](CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295199680 199401476 /nfs/dbraw/zinc/40/14/76/199401476.db2.gz YKOWERXTIDCSRD-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000073856082 363258286 /nfs/dbraw/zinc/25/82/86/363258286.db2.gz PFMSUZXBRAMYLO-GFCCVEGCSA-N 1 0 266.345 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000162612604 188580879 /nfs/dbraw/zinc/58/08/79/188580879.db2.gz UKCCEINALVQFRR-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO COc1cc(C[NH2+][C@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451808164 283111222 /nfs/dbraw/zinc/11/12/22/283111222.db2.gz DSHCCEHYXBCPJH-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795935 291079664 /nfs/dbraw/zinc/07/96/64/291079664.db2.gz RHNVHWUFJVZBMA-CMPLNLGQSA-N 1 0 293.323 2.004 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451947481 283149599 /nfs/dbraw/zinc/14/95/99/283149599.db2.gz PBMSKTMRKYFRIY-KCPJHIHWSA-N 1 0 294.351 2.358 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000338370776 366322576 /nfs/dbraw/zinc/32/25/76/366322576.db2.gz CNRGFQRILBMJCY-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575796464 366360194 /nfs/dbraw/zinc/36/01/94/366360194.db2.gz BPUZEGYALZCGRO-OLZOCXBDSA-N 1 0 296.367 2.359 20 5 CEBDRO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527692 299263273 /nfs/dbraw/zinc/26/32/73/299263273.db2.gz QZGXLPWESFQWMK-FZMZJTMJSA-N 1 0 277.368 2.369 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000352791257 219634241 /nfs/dbraw/zinc/63/42/41/219634241.db2.gz HGFJFLDRWHLFPK-MFKMUULPSA-N 1 0 282.365 2.315 20 5 CEBDRO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135110584 366396892 /nfs/dbraw/zinc/39/68/92/366396892.db2.gz PKWXFTTVLFHCMB-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135203629 366409018 /nfs/dbraw/zinc/40/90/18/366409018.db2.gz VVOUUCHZVGRBIL-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000135238509 366414265 /nfs/dbraw/zinc/41/42/65/366414265.db2.gz MBKGRRDMYRUNIJ-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570817719 299279110 /nfs/dbraw/zinc/27/91/10/299279110.db2.gz QYHDGNYMAINQRN-UPJWGTAASA-N 1 0 275.352 2.482 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415508513 236676825 /nfs/dbraw/zinc/67/68/25/236676825.db2.gz VDBXFQIRFGQSSN-GXFFZTMASA-N 1 0 292.339 2.023 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000079742997 363626811 /nfs/dbraw/zinc/62/68/11/363626811.db2.gz ZGXSHKXWGZNOAJ-GFCCVEGCSA-N 1 0 252.314 2.418 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000079963521 363636859 /nfs/dbraw/zinc/63/68/59/363636859.db2.gz LWZKGOJGRRFNBO-GFCCVEGCSA-N 1 0 250.298 2.063 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000418140193 237319981 /nfs/dbraw/zinc/31/99/81/237319981.db2.gz VGWLMDNRQRGVIV-LLVKDONJSA-N 1 0 285.294 2.024 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000127309862 283495050 /nfs/dbraw/zinc/49/50/50/283495050.db2.gz GDZOZBWXTJTRES-ZDUSSCGKSA-N 1 0 291.351 2.232 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000579334320 366627969 /nfs/dbraw/zinc/62/79/69/366627969.db2.gz ARPDQRVUDOUPEY-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257403 283512429 /nfs/dbraw/zinc/51/24/29/283512429.db2.gz NDMDKJULXSZNPW-RISCZKNCSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000298406755 200420244 /nfs/dbraw/zinc/42/02/44/200420244.db2.gz KVVOAMQCCLOSKD-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000177444966 189051481 /nfs/dbraw/zinc/05/14/81/189051481.db2.gz HYULXGKOXHSZDS-VHSXEESVSA-N 1 0 297.380 2.259 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000341967352 216170955 /nfs/dbraw/zinc/17/09/55/216170955.db2.gz LHHLGPGVTWOSAU-HNNXBMFYSA-N 1 0 292.335 2.358 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000177851363 189074329 /nfs/dbraw/zinc/07/43/29/189074329.db2.gz KSHZBZJSVGIXRZ-GFCCVEGCSA-N 1 0 293.367 2.421 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C[NH+](C)C)CCC1 ZINC000342019531 216190755 /nfs/dbraw/zinc/19/07/55/216190755.db2.gz RRXDWORKJBLZMD-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@H](CO)C1 ZINC000342242179 216277122 /nfs/dbraw/zinc/27/71/22/216277122.db2.gz IKAXINHISUYOQM-STQMWFEESA-N 1 0 278.352 2.483 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[NH2+]C1 ZINC000571682859 299323793 /nfs/dbraw/zinc/32/37/93/299323793.db2.gz ZFMLKILKUQPBPT-AWEZNQCLSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000342364283 216326142 /nfs/dbraw/zinc/32/61/42/216326142.db2.gz VZCFOGAJKQVDCR-GWCFXTLKSA-N 1 0 292.339 2.199 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000581654680 366807738 /nfs/dbraw/zinc/80/77/38/366807738.db2.gz RKYBAWGBRLENNW-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)O ZINC000183348528 189355888 /nfs/dbraw/zinc/35/58/88/189355888.db2.gz ABKWJDHOYNUIAX-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1ccc(N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000301816882 201215300 /nfs/dbraw/zinc/21/53/00/201215300.db2.gz JTTYRCPXGKWKBL-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302169585 201378406 /nfs/dbraw/zinc/37/84/06/201378406.db2.gz TYMBPJUYLOQTGA-UHFFFAOYSA-N 1 0 275.255 2.170 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(CO)CC1 ZINC000186780855 189451161 /nfs/dbraw/zinc/45/11/61/189451161.db2.gz HIKBOIIHQHSQSB-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO COc1ccc(C[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000088457330 363898008 /nfs/dbraw/zinc/89/80/08/363898008.db2.gz YMSCDGQNCWPUTH-UHFFFAOYSA-N 1 0 250.298 2.493 20 5 CEBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818498 363871011 /nfs/dbraw/zinc/87/10/11/363871011.db2.gz ZZKORSZJPBGRBU-NXEZZACHSA-N 1 0 252.314 2.405 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000572000590 299338533 /nfs/dbraw/zinc/33/85/33/299338533.db2.gz JRXDKDNSICFVND-UWVGGRQHSA-N 1 0 280.328 2.151 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000090795236 364065078 /nfs/dbraw/zinc/06/50/78/364065078.db2.gz ALQGAHCTZYPHEN-ZYHUDNBSSA-N 1 0 279.340 2.498 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771836 364294308 /nfs/dbraw/zinc/29/43/08/364294308.db2.gz RYWYOXLXVYXMCP-UHFFFAOYSA-N 1 0 277.328 2.223 20 5 CEBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000094798457 364297434 /nfs/dbraw/zinc/29/74/34/364297434.db2.gz OMXLGFFFXJTPGO-LLVKDONJSA-N 1 0 256.327 2.315 20 5 CEBDRO CC[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562767 364952004 /nfs/dbraw/zinc/95/20/04/364952004.db2.gz ASYBWLBROCHBEM-UHFFFAOYSA-N 1 0 277.368 2.165 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415288 366877072 /nfs/dbraw/zinc/87/70/72/366877072.db2.gz JUGHBUYATVAUPR-IACUBPJLSA-N 1 0 294.351 2.094 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000159197964 366888668 /nfs/dbraw/zinc/88/86/68/366888668.db2.gz AHAUPRFDQWNRIJ-UWVGGRQHSA-N 1 0 250.298 2.349 20 5 CEBDRO CC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159714406 366941290 /nfs/dbraw/zinc/94/12/90/366941290.db2.gz OJFYLKWUCAHKFQ-UHFFFAOYSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000582725136 366949819 /nfs/dbraw/zinc/94/98/19/366949819.db2.gz GFSMIMDMIVRRDX-MRXNPFEDSA-N 1 0 289.379 2.479 20 5 CEBDRO Cc1nn(C)c(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341135968 367188929 /nfs/dbraw/zinc/18/89/29/367188929.db2.gz ZDBGPNNTOAUCRN-QWRGUYRKSA-N 1 0 295.387 2.312 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000162840500 367195632 /nfs/dbraw/zinc/19/56/32/367195632.db2.gz DVGWVEIXVTUUPD-WCQYABFASA-N 1 0 291.351 2.223 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000601154672 367215445 /nfs/dbraw/zinc/21/54/45/367215445.db2.gz SFLWNMALBOMFOD-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611414534 367225460 /nfs/dbraw/zinc/22/54/60/367225460.db2.gz GBXUSTINBYWSKN-NXEZZACHSA-N 1 0 287.410 2.138 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341470090 367347716 /nfs/dbraw/zinc/34/77/16/367347716.db2.gz LIQYISMLTZAHOF-SNVBAGLBSA-N 1 0 283.759 2.384 20 5 CEBDRO COc1ccc(C[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000168949513 367362767 /nfs/dbraw/zinc/36/27/67/367362767.db2.gz KTWGDBUCVZLWHU-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000172590976 367783086 /nfs/dbraw/zinc/78/30/86/367783086.db2.gz PNTUMNRZFJXPOO-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343454092 367824563 /nfs/dbraw/zinc/82/45/63/367824563.db2.gz PCZRUEAJQVFGSO-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246885 368001816 /nfs/dbraw/zinc/00/18/16/368001816.db2.gz CTWKAONWKHTSPL-UHFFFAOYSA-N 1 0 250.298 2.458 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000174668208 368054273 /nfs/dbraw/zinc/05/42/73/368054273.db2.gz QBWNCYCJOGDFDF-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000174434950 368023090 /nfs/dbraw/zinc/02/30/90/368023090.db2.gz YLAUGJGPQSIGQB-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO [NH3+]CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000181049537 368416320 /nfs/dbraw/zinc/41/63/20/368416320.db2.gz MDVNTPLCNOCFHE-UHFFFAOYSA-N 1 0 293.348 2.278 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222178 368538382 /nfs/dbraw/zinc/53/83/82/368538382.db2.gz XWUOLIPUHICLTO-AVGNSLFASA-N 1 0 296.367 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343471238 216785131 /nfs/dbraw/zinc/78/51/31/216785131.db2.gz WAJNJTSGTPDTLH-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000182715031 368583045 /nfs/dbraw/zinc/58/30/45/368583045.db2.gz KVRRFHPBTRPVAF-GHMZBOCLSA-N 1 0 266.345 2.206 20 5 CEBDRO COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000346666219 368759953 /nfs/dbraw/zinc/75/99/53/368759953.db2.gz PWLZTKOTCLYBDG-JOYOIKCWSA-N 1 0 296.298 2.117 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH2+]CC3)o2)c1 ZINC000346684022 368768740 /nfs/dbraw/zinc/76/87/40/368768740.db2.gz GNVGBXPUZYYHSN-UHFFFAOYSA-N 1 0 287.319 2.260 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693083 368774607 /nfs/dbraw/zinc/77/46/07/368774607.db2.gz KRWMZBROZUUYKF-QMDMKJMKSA-N 1 0 275.352 2.277 20 5 CEBDRO COCC1=CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185892972 368882132 /nfs/dbraw/zinc/88/21/32/368882132.db2.gz HZLNKBQPXNBYPG-UHFFFAOYSA-N 1 0 276.336 2.416 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC(O)C1 ZINC000276022034 193191542 /nfs/dbraw/zinc/19/15/42/193191542.db2.gz KOWMJVQDMAZTDF-VOMCLLRMSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645042 203073559 /nfs/dbraw/zinc/07/35/59/203073559.db2.gz GIUVXZXZCKKYAE-HIFRSBDPSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645043 203073832 /nfs/dbraw/zinc/07/38/32/203073832.db2.gz GIUVXZXZCKKYAE-UKRRQHHQSA-N 1 0 291.351 2.256 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188478793 369362466 /nfs/dbraw/zinc/36/24/66/369362466.db2.gz VPIWQBJTTPBFHC-MNOVXSKESA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000246493017 370969993 /nfs/dbraw/zinc/96/99/93/370969993.db2.gz AVQZCSAVGFGRMV-NEPJUHHUSA-N 1 0 266.345 2.159 20 5 CEBDRO CCC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350058722 369493471 /nfs/dbraw/zinc/49/34/71/369493471.db2.gz GNGHFAWSPRDPIM-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352700749 369845511 /nfs/dbraw/zinc/84/55/11/369845511.db2.gz UMNMQPNMQRVOLO-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352812923 369889294 /nfs/dbraw/zinc/88/92/94/369889294.db2.gz ARTMKBDBRVSLOY-ONGXEEELSA-N 1 0 282.365 2.445 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000352874896 369925797 /nfs/dbraw/zinc/92/57/97/369925797.db2.gz WXZIBIDKGJPVAW-LLVKDONJSA-N 1 0 258.343 2.153 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000193729554 369976828 /nfs/dbraw/zinc/97/68/28/369976828.db2.gz XIHAUAMAMGMPQH-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO CCc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193389354 369937614 /nfs/dbraw/zinc/93/76/14/369937614.db2.gz ARMHJXAPOYGTJG-UHFFFAOYSA-N 1 0 291.351 2.029 20 5 CEBDRO Cc1c(C[NH2+][C@@](C)(CO)C(C)C)cccc1[N+](=O)[O-] ZINC000352906673 369944157 /nfs/dbraw/zinc/94/41/57/369944157.db2.gz CVGMHLJWBHLLMP-AWEZNQCLSA-N 1 0 266.341 2.400 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353154846 370043765 /nfs/dbraw/zinc/04/37/65/370043765.db2.gz PAWQMGFMASURBD-LSDHHAIUSA-N 1 0 294.351 2.187 20 5 CEBDRO COc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000225790413 370319471 /nfs/dbraw/zinc/31/94/71/370319471.db2.gz YPRKSXPHKLQXMY-LLVKDONJSA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[N@H+](CC)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000223227916 370262493 /nfs/dbraw/zinc/26/24/93/370262493.db2.gz QTZBMSGCWHFJNY-UHFFFAOYSA-N 1 0 295.383 2.425 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000225815327 370320887 /nfs/dbraw/zinc/32/08/87/370320887.db2.gz LYDFAOCMCYDHKP-AWEZNQCLSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1c(CN2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927654 370353422 /nfs/dbraw/zinc/35/34/22/370353422.db2.gz WFWVRLNJSVWLIS-JSGCOSHPSA-N 1 0 277.368 2.462 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651279 370378601 /nfs/dbraw/zinc/37/86/01/370378601.db2.gz QSPPVFZPOBEKJM-MRVPVSSYSA-N 1 0 270.720 2.007 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000227920301 370389448 /nfs/dbraw/zinc/38/94/48/370389448.db2.gz XYGRXLOJSNVNRH-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231078717 370474964 /nfs/dbraw/zinc/47/49/64/370474964.db2.gz ZBGGNEIARMNJAM-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000232976985 370515369 /nfs/dbraw/zinc/51/53/69/370515369.db2.gz HXCJLAGXMKTKQB-ZDUSSCGKSA-N 1 0 291.351 2.103 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000343976817 217000752 /nfs/dbraw/zinc/00/07/52/217000752.db2.gz RRWDOBMRLLIQOX-GFCCVEGCSA-N 1 0 278.356 2.006 20 5 CEBDRO CC[NH+]1CCC(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000231883700 370497463 /nfs/dbraw/zinc/49/74/63/370497463.db2.gz ONXDCPRQHIGDAW-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000235454700 370567731 /nfs/dbraw/zinc/56/77/31/370567731.db2.gz WKLJPCBVYZFTAK-SSDOTTSWSA-N 1 0 292.261 2.371 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000235761930 370577042 /nfs/dbraw/zinc/57/70/42/370577042.db2.gz DPSKWYTVUQZIDF-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236726966 370615561 /nfs/dbraw/zinc/61/55/61/370615561.db2.gz PFTFXASFRBHCQV-YPMHNXCESA-N 1 0 293.367 2.454 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000248399444 371185931 /nfs/dbraw/zinc/18/59/31/371185931.db2.gz OUNXMGCQEOVKSK-ZLKJLUDKSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248443364 371196760 /nfs/dbraw/zinc/19/67/60/371196760.db2.gz BCTSYEQMDGZFFD-CLFVBBPSSA-N 1 0 270.354 2.012 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000359050624 371318620 /nfs/dbraw/zinc/31/86/20/371318620.db2.gz DIRMSSLAUVTLLD-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251645920 371409881 /nfs/dbraw/zinc/40/98/81/371409881.db2.gz HIOFTXZJUYPNJA-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000252922529 371490827 /nfs/dbraw/zinc/49/08/27/371490827.db2.gz IOZVWXLOWCXOFO-HUUCEWRRSA-N 1 0 278.352 2.373 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252674854 371466709 /nfs/dbraw/zinc/46/67/09/371466709.db2.gz UUKLPXGHLSQYBJ-PWSUYJOCSA-N 1 0 262.313 2.029 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000361046006 371619436 /nfs/dbraw/zinc/61/94/36/371619436.db2.gz ZGUITIXSDFNHMU-ONGXEEELSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261575325 371657032 /nfs/dbraw/zinc/65/70/32/371657032.db2.gz BLURZDQVJOZHID-BXUZGUMPSA-N 1 0 263.341 2.327 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261711783 371708448 /nfs/dbraw/zinc/70/84/48/371708448.db2.gz DOPQEVOURGFNIC-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000361399204 371828227 /nfs/dbraw/zinc/82/82/27/371828227.db2.gz ZGGGNQSVGHMYAA-AWEZNQCLSA-N 1 0 272.308 2.238 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc(C)cc1[N+](=O)[O-] ZINC000267524045 372073801 /nfs/dbraw/zinc/07/38/01/372073801.db2.gz HHWAKLQGDYHUNF-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[N@@H+]1C[C@H](C)[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205625 217098761 /nfs/dbraw/zinc/09/87/61/217098761.db2.gz DGGJBFOLHZOAQQ-SMDDNHRTSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000268726071 372195656 /nfs/dbraw/zinc/19/56/56/372195656.db2.gz JOLQIJLAHVOTDB-NSHDSACASA-N 1 0 265.313 2.182 20 5 CEBDRO Cc1ccnc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000269258890 372398647 /nfs/dbraw/zinc/39/86/47/372398647.db2.gz AOTHCHXXACPBOD-UHFFFAOYSA-N 1 0 276.340 2.019 20 5 CEBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000269868999 372583598 /nfs/dbraw/zinc/58/35/98/372583598.db2.gz YDSHJYKIQMTJKE-PWSUYJOCSA-N 1 0 282.315 2.469 20 5 CEBDRO COCC1(O)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270391745 372768207 /nfs/dbraw/zinc/76/82/07/372768207.db2.gz SNYBJWVYFFPBAN-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCO ZINC000344783025 217310993 /nfs/dbraw/zinc/31/09/93/217310993.db2.gz IFSMFJLCJDYNMK-OBIHZWKSSA-N 1 0 264.325 2.359 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)O ZINC000344835890 217327457 /nfs/dbraw/zinc/32/74/57/217327457.db2.gz VZMVNYZZVTXUSK-KGTBHZDVSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000353586458 220173873 /nfs/dbraw/zinc/17/38/73/220173873.db2.gz AWBZUSCSGJDGSF-GFCCVEGCSA-N 1 0 263.341 2.039 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000370990104 373767970 /nfs/dbraw/zinc/76/79/70/373767970.db2.gz BPCGBOLJMYHJDA-CABCVRRESA-N 1 0 290.363 2.496 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000274532176 373952208 /nfs/dbraw/zinc/95/22/08/373952208.db2.gz YZTANGSCLWBXCF-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000573666327 299450057 /nfs/dbraw/zinc/45/00/57/299450057.db2.gz LTCVUQOXJCQJHE-GIPWTMENSA-N 1 0 296.392 2.465 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000276942775 374354121 /nfs/dbraw/zinc/35/41/21/374354121.db2.gz SLOVUVYPXXJMPA-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000374017152 374467967 /nfs/dbraw/zinc/46/79/67/374467967.db2.gz IYAZEASZXNLVQX-ZIAGYGMSSA-N 1 0 292.335 2.357 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H](CO)C1 ZINC000374048596 374474708 /nfs/dbraw/zinc/47/47/08/374474708.db2.gz FXJPGYNEHLYHHW-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277991041 374700617 /nfs/dbraw/zinc/70/06/17/374700617.db2.gz UOJCGRGRJDZXAZ-GXFFZTMASA-N 1 0 250.298 2.109 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000279390034 374857498 /nfs/dbraw/zinc/85/74/98/374857498.db2.gz GYJGAKYGTNKLPU-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CC1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000279753873 374975538 /nfs/dbraw/zinc/97/55/38/374975538.db2.gz QNXZIYSPEKQIFF-UHFFFAOYSA-N 1 0 284.385 2.009 20 5 CEBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000279938397 375036981 /nfs/dbraw/zinc/03/69/81/375036981.db2.gz YPOHWPRTJNUNGT-LLVKDONJSA-N 1 0 297.380 2.004 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000385756073 375242253 /nfs/dbraw/zinc/24/22/53/375242253.db2.gz WZMDEJSYNAHOKP-KGLIPLIRSA-N 1 0 278.352 2.496 20 5 CEBDRO CCC(CC)(CCO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282341304 375461125 /nfs/dbraw/zinc/46/11/25/375461125.db2.gz BWEXNDDJWFBTCN-AWEZNQCLSA-N 1 0 296.367 2.159 20 5 CEBDRO CCOC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282374982 375470627 /nfs/dbraw/zinc/47/06/27/375470627.db2.gz FJSCXLOMRNMKKQ-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282214338 375431280 /nfs/dbraw/zinc/43/12/80/375431280.db2.gz DMSMXZWMVHYAEW-STQMWFEESA-N 1 0 294.351 2.473 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282214337 375431762 /nfs/dbraw/zinc/43/17/62/375431762.db2.gz DMSMXZWMVHYAEW-QWHCGFSZSA-N 1 0 294.351 2.473 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282386172 375471724 /nfs/dbraw/zinc/47/17/24/375471724.db2.gz ORJKKPQPAZYFOG-KCPJHIHWSA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000282531764 375510334 /nfs/dbraw/zinc/51/03/34/375510334.db2.gz VEFLCDKUROMFGE-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036317 375641852 /nfs/dbraw/zinc/64/18/52/375641852.db2.gz IBIAGTAXNKAYRC-GFCCVEGCSA-N 1 0 281.331 2.117 20 5 CEBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n(C)n1 ZINC000283951730 375785983 /nfs/dbraw/zinc/78/59/83/375785983.db2.gz IAORJVUSEDCYQI-SNVBAGLBSA-N 1 0 289.339 2.070 20 5 CEBDRO Cc1ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414650641 375900556 /nfs/dbraw/zinc/90/05/56/375900556.db2.gz BEAYFBCPOPXRHY-LLVKDONJSA-N 1 0 280.328 2.008 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]C1CC1 ZINC000414657113 375903978 /nfs/dbraw/zinc/90/39/78/375903978.db2.gz JPKUQUFZEJUCEM-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000414657983 375904074 /nfs/dbraw/zinc/90/40/74/375904074.db2.gz KWDQDMDDERXNQU-GWCFXTLKSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660398 375905882 /nfs/dbraw/zinc/90/58/82/375905882.db2.gz OADDBZKXFYOZHD-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000414666500 375907817 /nfs/dbraw/zinc/90/78/17/375907817.db2.gz WSZYSYKCFCBFGN-ZDUSSCGKSA-N 1 0 292.339 2.104 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585579 375868593 /nfs/dbraw/zinc/86/85/93/375868593.db2.gz UEQFIGANNADLEV-STQMWFEESA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1cnc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000287900802 376337095 /nfs/dbraw/zinc/33/70/95/376337095.db2.gz VJMSMARICOYZHY-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000263793826 190079328 /nfs/dbraw/zinc/07/93/28/190079328.db2.gz RGMWLOONWBUIEH-NWDGAFQWSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000263790204 190079495 /nfs/dbraw/zinc/07/94/95/190079495.db2.gz NGSRPFGZTSHXSJ-ZDUSSCGKSA-N 1 0 296.367 2.312 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289720355 376462934 /nfs/dbraw/zinc/46/29/34/376462934.db2.gz URKNVXUYEJEBNT-NEPJUHHUSA-N 1 0 277.324 2.230 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000289723546 376465821 /nfs/dbraw/zinc/46/58/21/376465821.db2.gz ZGHHOOCQBKXNHL-OAHLLOKOSA-N 1 0 294.351 2.114 20 5 CEBDRO CCCC[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000289758846 376485173 /nfs/dbraw/zinc/48/51/73/376485173.db2.gz FWBPQTTZNMWKEF-LLVKDONJSA-N 1 0 254.334 2.302 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420196446 376607286 /nfs/dbraw/zinc/60/72/86/376607286.db2.gz LBBFZJQUPXSDTQ-MRVPVSSYSA-N 1 0 289.282 2.464 20 5 CEBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602385 376678143 /nfs/dbraw/zinc/67/81/43/376678143.db2.gz CVWUROPSTUSCJR-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000311872552 376691220 /nfs/dbraw/zinc/69/12/20/376691220.db2.gz LWVVBUAFMXCYND-QMMMGPOBSA-N 1 0 285.731 2.105 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421005983 376781596 /nfs/dbraw/zinc/78/15/96/376781596.db2.gz VREFLWSMYZZLLD-CQSZACIVSA-N 1 0 293.367 2.129 20 5 CEBDRO CCOc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000314316162 376770197 /nfs/dbraw/zinc/77/01/97/376770197.db2.gz YBCYYDOBCLQYJV-VXGBXAGGSA-N 1 0 291.351 2.039 20 5 CEBDRO C[N@H+](C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290783297 376924047 /nfs/dbraw/zinc/92/40/47/376924047.db2.gz NHVWVTOKXLITDY-AWEZNQCLSA-N 1 0 296.392 2.283 20 5 CEBDRO CCC[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200267 377116125 /nfs/dbraw/zinc/11/61/25/377116125.db2.gz FEVQSHTWAALCCF-TZMCWYRMSA-N 1 0 263.341 2.388 20 5 CEBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291077863 377060729 /nfs/dbraw/zinc/06/07/29/377060729.db2.gz MVTLLQQFIPBSRB-LLVKDONJSA-N 1 0 282.340 2.460 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423209819 377127120 /nfs/dbraw/zinc/12/71/20/377127120.db2.gz VVJJCHCQDNRYPV-ZYHUDNBSSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH2+]C[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267018 377185014 /nfs/dbraw/zinc/18/50/14/377185014.db2.gz DOIGTKQCANKYLS-WDEREUQCSA-N 1 0 251.330 2.101 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000331021977 377243664 /nfs/dbraw/zinc/24/36/64/377243664.db2.gz SLZRYGOAOZFKIP-GJZGRUSLSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000331100618 377281393 /nfs/dbraw/zinc/28/13/93/377281393.db2.gz DAFSYOYSOBLUSE-OUAUKWLOSA-N 1 0 266.345 2.243 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCOCC1 ZINC000332273208 377557668 /nfs/dbraw/zinc/55/76/68/377557668.db2.gz GWHCWMCCCXTWIM-NSHDSACASA-N 1 0 250.298 2.378 20 5 CEBDRO O=C(CC[NH2+][C@H]1[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000566063832 377716490 /nfs/dbraw/zinc/71/64/90/377716490.db2.gz NDDFKEMDYIQOCB-HBYGRHMLSA-N 1 0 289.335 2.312 20 5 CEBDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293854633 377788326 /nfs/dbraw/zinc/78/83/26/377788326.db2.gz JYIOUZCGZBIAIN-NSHDSACASA-N 1 0 272.732 2.451 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000439140322 377920452 /nfs/dbraw/zinc/92/04/52/377920452.db2.gz YZKZUQLZFCTCMN-GFCCVEGCSA-N 1 0 281.356 2.100 20 5 CEBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659496 378002389 /nfs/dbraw/zinc/00/23/89/378002389.db2.gz HFRRIRCMJNFQGN-NOZJJQNGSA-N 1 0 279.340 2.253 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000447064377 378089692 /nfs/dbraw/zinc/08/96/92/378089692.db2.gz WQPZLKUYKPOBIX-CQSZACIVSA-N 1 0 298.314 2.019 20 5 CEBDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000295819923 378316846 /nfs/dbraw/zinc/31/68/46/378316846.db2.gz BWEAIMYQFXGPOO-IUODEOHRSA-N 1 0 294.351 2.209 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN(C1CC1)C1COC1 ZINC000295970526 378375702 /nfs/dbraw/zinc/37/57/02/378375702.db2.gz INPFAHCXXBVGHH-HWKANZROSA-N 1 0 274.320 2.471 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598846 378492824 /nfs/dbraw/zinc/49/28/24/378492824.db2.gz RQFRSBQNISJAQG-CQSZACIVSA-N 1 0 293.367 2.162 20 5 CEBDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296452893 378536939 /nfs/dbraw/zinc/53/69/39/378536939.db2.gz MWAPZDAWPFPPFJ-MNOVXSKESA-N 1 0 281.356 2.379 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296597333 378587353 /nfs/dbraw/zinc/58/73/53/378587353.db2.gz YFBDAVYCBLMVNH-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296601068 378588139 /nfs/dbraw/zinc/58/81/39/378588139.db2.gz VQCZIQRJQSLMGP-JTQLQIEISA-N 1 0 281.356 2.236 20 5 CEBDRO Cc1nc(NC2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296651562 378606317 /nfs/dbraw/zinc/60/63/17/378606317.db2.gz XNDZCMYJMCKSEJ-UHFFFAOYSA-N 1 0 293.371 2.226 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000266210463 190240286 /nfs/dbraw/zinc/24/02/86/190240286.db2.gz MOIFMGNASGDXMO-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298677339 378798265 /nfs/dbraw/zinc/79/82/65/378798265.db2.gz MDVKQJVPRZDNLM-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO CC[C@H]([NH2+]CC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243703 378837459 /nfs/dbraw/zinc/83/74/59/378837459.db2.gz AEECNTVTLNUWAF-GJZGRUSLSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000346994113 218082789 /nfs/dbraw/zinc/08/27/89/218082789.db2.gz BSQGGGDTYJKLIX-VXGBXAGGSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347037919 218100332 /nfs/dbraw/zinc/10/03/32/218100332.db2.gz GDPREGYADSPWQS-KGLIPLIRSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347106433 218122516 /nfs/dbraw/zinc/12/25/16/218122516.db2.gz LULYDYFHPAAHGP-WCQYABFASA-N 1 0 263.341 2.072 20 5 CEBDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289456512 197355624 /nfs/dbraw/zinc/35/56/24/197355624.db2.gz CBXIHZOJUBIJRW-CHWSQXEVSA-N 1 0 277.324 2.167 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000510113403 379116616 /nfs/dbraw/zinc/11/66/16/379116616.db2.gz QQSRGLGXVMZTPP-TXEJJXNPSA-N 1 0 250.298 2.204 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772395 194148825 /nfs/dbraw/zinc/14/88/25/194148825.db2.gz NFWRRRLKXSXEPB-NWDGAFQWSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000515424229 379216806 /nfs/dbraw/zinc/21/68/06/379216806.db2.gz OUDKALRKSXVRAU-GFCCVEGCSA-N 1 0 292.339 2.153 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301235790 379228208 /nfs/dbraw/zinc/22/82/08/379228208.db2.gz HRLITEJQRUTNEM-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301658096 379295735 /nfs/dbraw/zinc/29/57/35/379295735.db2.gz LQXTXUTWYRDRIR-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1sc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524721115 379630773 /nfs/dbraw/zinc/63/07/73/379630773.db2.gz MWRDGZARXCFGHP-VIFPVBQESA-N 1 0 297.380 2.036 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457087081 379660093 /nfs/dbraw/zinc/66/00/93/379660093.db2.gz PSWYRTPMPSJGJG-CQSZACIVSA-N 1 0 291.351 2.150 20 5 CEBDRO C[NH+](C)C1CCN(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000267220583 190313167 /nfs/dbraw/zinc/31/31/67/190313167.db2.gz SOWIQUGVMYPMJZ-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491862747 380365002 /nfs/dbraw/zinc/36/50/02/380365002.db2.gz BGOWHXAXWHPAAT-JLVNDZCYSA-N 1 0 291.351 2.064 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754395 380556584 /nfs/dbraw/zinc/55/65/84/380556584.db2.gz DUFXZKAFDIPMLD-GHMZBOCLSA-N 1 0 277.324 2.406 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847727 380708329 /nfs/dbraw/zinc/70/83/29/380708329.db2.gz OZMYRMZEHMHGHY-LSDHHAIUSA-N 1 0 294.351 2.244 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289179442 197255007 /nfs/dbraw/zinc/25/50/07/197255007.db2.gz IETUYGAUMURYNB-HAQNSBGRSA-N 1 0 291.351 2.090 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000086699732 184610034 /nfs/dbraw/zinc/61/00/34/184610034.db2.gz BSSUOZIMQLYAMH-GFCCVEGCSA-N 1 0 270.304 2.495 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000048805726 285076932 /nfs/dbraw/zinc/07/69/32/285076932.db2.gz JZPRVTPWNPKJHK-UHFFFAOYSA-N 1 0 279.315 2.266 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCC2)cc1 ZINC000285428091 285114314 /nfs/dbraw/zinc/11/43/14/285114314.db2.gz HHBXVIOZPWWDIR-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286766 219005386 /nfs/dbraw/zinc/00/53/86/219005386.db2.gz LIDVQXAPDXSQDK-CYBMUJFWSA-N 1 0 270.304 2.375 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301279123 285176342 /nfs/dbraw/zinc/17/63/42/285176342.db2.gz NEWVFFPCJLSAAS-SNVBAGLBSA-N 1 0 296.758 2.318 20 5 CEBDRO COCC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288626075 197130537 /nfs/dbraw/zinc/13/05/37/197130537.db2.gz YECLPHMGCWGSQA-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO COC[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000358479279 285221744 /nfs/dbraw/zinc/22/17/44/285221744.db2.gz DIPCBESUHOBKSZ-CYBMUJFWSA-N 1 0 296.367 2.469 20 5 CEBDRO CO[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190917382 533264510 /nfs/dbraw/zinc/26/45/10/533264510.db2.gz BVVRYAHXYXXHSG-AAEUAGOBSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157491199 533356470 /nfs/dbraw/zinc/35/64/70/533356470.db2.gz VDZWLKFRPBERBX-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000263906476 131358047 /nfs/dbraw/zinc/35/80/47/131358047.db2.gz HELCUMSSCQVZHG-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263935525 131364268 /nfs/dbraw/zinc/36/42/68/131364268.db2.gz IHLRECRATWTZNT-UHFFFAOYSA-N 1 0 296.371 2.165 20 5 CEBDRO Cc1cc(NC[C@H]2[NH2+]CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000235828348 394484300 /nfs/dbraw/zinc/48/43/00/394484300.db2.gz UVCVFZMNUQECMT-GFCCVEGCSA-N 1 0 278.356 2.488 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000355736602 394516401 /nfs/dbraw/zinc/51/64/01/394516401.db2.gz FUFLYKUNLAUDCC-IJLUTSLNSA-N 1 0 266.345 2.158 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000070575103 394587004 /nfs/dbraw/zinc/58/70/04/394587004.db2.gz VXXOCJNBPOXBOV-GHMZBOCLSA-N 1 0 277.324 2.359 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000308666792 394529704 /nfs/dbraw/zinc/52/97/04/394529704.db2.gz IOCNNPDGWGKOGW-UHFFFAOYSA-N 1 0 270.358 2.338 20 5 CEBDRO Cc1cc(NCCCC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000413349313 394532147 /nfs/dbraw/zinc/53/21/47/394532147.db2.gz ROISZFQGSVONLI-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311442446 394537342 /nfs/dbraw/zinc/53/73/42/394537342.db2.gz PTJOVBVXQTWYPO-CHWSQXEVSA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791010 394615405 /nfs/dbraw/zinc/61/54/05/394615405.db2.gz IFFOAQGCFBDGJD-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000356794837 394616015 /nfs/dbraw/zinc/61/60/15/394616015.db2.gz NNJAROJZOVIYIA-NEPJUHHUSA-N 1 0 263.341 2.432 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262615895 394621348 /nfs/dbraw/zinc/62/13/48/394621348.db2.gz CWEIDXGMXFUFLH-WDEREUQCSA-N 1 0 289.335 2.001 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000421868878 394622438 /nfs/dbraw/zinc/62/24/38/394622438.db2.gz CUVVBGGTXVMAJH-OCCSQVGLSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356842986 394629664 /nfs/dbraw/zinc/62/96/64/394629664.db2.gz ZTZJCWWEUGMCFH-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268515289 394695934 /nfs/dbraw/zinc/69/59/34/394695934.db2.gz TUIOPBWXNWVTDB-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268952324 394703918 /nfs/dbraw/zinc/70/39/18/394703918.db2.gz SUECFKUKTZAGAD-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO [NH3+]C1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000414850709 394770270 /nfs/dbraw/zinc/77/02/70/394770270.db2.gz ZQBRTJISUQFTQS-UHFFFAOYSA-N 1 0 263.341 2.346 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCC1=O ZINC000120931847 394787612 /nfs/dbraw/zinc/78/76/12/394787612.db2.gz NLMYAOIZWBZSST-GFCCVEGCSA-N 1 0 291.351 2.210 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414942916 394814525 /nfs/dbraw/zinc/81/45/25/394814525.db2.gz DTCYYZWANRUACU-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO CC(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130380576 394886524 /nfs/dbraw/zinc/88/65/24/394886524.db2.gz GWPNMNDBIUVOBH-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384394 394908143 /nfs/dbraw/zinc/90/81/43/394908143.db2.gz QAHKNPVJAGSHJP-NTZNESFSSA-N 1 0 263.341 2.386 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415302875 394919870 /nfs/dbraw/zinc/91/98/70/394919870.db2.gz UGIZEROLCKOMPO-UHFFFAOYSA-N 1 0 294.355 2.333 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000415430258 394931834 /nfs/dbraw/zinc/93/18/34/394931834.db2.gz JGMVMOMJZOGEHD-ZYHUDNBSSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415479113 394935837 /nfs/dbraw/zinc/93/58/37/394935837.db2.gz DVQBNGQRQISMRU-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415478721 394935956 /nfs/dbraw/zinc/93/59/56/394935956.db2.gz DMAUJEBOERBCFM-LLVKDONJSA-N 1 0 294.355 2.316 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000415508245 394939305 /nfs/dbraw/zinc/93/93/05/394939305.db2.gz UZAMJANRUPUWKW-WDEREUQCSA-N 1 0 292.339 2.234 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415508540 394939981 /nfs/dbraw/zinc/93/99/81/394939981.db2.gz VDRNQQQCNJEOGN-GHMZBOCLSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415509676 394940019 /nfs/dbraw/zinc/94/00/19/394940019.db2.gz XCBNKWBILDHTSV-GHMZBOCLSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1cc(N2C[C@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340790293 394991154 /nfs/dbraw/zinc/99/11/54/394991154.db2.gz XQKRMMNYPMJLHE-BJOHPYRUSA-N 1 0 287.319 2.268 20 5 CEBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285999691 394998592 /nfs/dbraw/zinc/99/85/92/394998592.db2.gz GEFOYAUYDCENJB-QWRGUYRKSA-N 1 0 284.385 2.055 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834824 394998760 /nfs/dbraw/zinc/99/87/60/394998760.db2.gz CYAMXRGGSBEBGB-LBPRGKRZSA-N 1 0 299.758 2.382 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153384706 395006117 /nfs/dbraw/zinc/00/61/17/395006117.db2.gz ZOYOBNYGTBZHIZ-CQSZACIVSA-N 1 0 262.309 2.207 20 5 CEBDRO CCn1cncc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000417867434 395153240 /nfs/dbraw/zinc/15/32/40/395153240.db2.gz BIRAOPDBFBDCBM-UHFFFAOYSA-N 1 0 290.323 2.110 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293854628 395253342 /nfs/dbraw/zinc/25/33/42/395253342.db2.gz JYIOUZCGZBIAIN-LLVKDONJSA-N 1 0 272.732 2.451 20 5 CEBDRO COc1ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000399549332 395246479 /nfs/dbraw/zinc/24/64/79/395246479.db2.gz CMGOPISANHYMAX-RNCFNFMXSA-N 1 0 295.339 2.161 20 5 CEBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)N1 ZINC000433191188 395207416 /nfs/dbraw/zinc/20/74/16/395207416.db2.gz ZLWFUCMERMHRTK-SNVBAGLBSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000181057343 395208563 /nfs/dbraw/zinc/20/85/63/395208563.db2.gz CRJTVVOOGSPLSC-OSMZGAPFSA-N 1 0 264.325 2.467 20 5 CEBDRO CCc1ccccc1[C@H]([NH3+])CNc1c([N+](=O)[O-])ncn1C ZINC000420277517 395289645 /nfs/dbraw/zinc/28/96/45/395289645.db2.gz MZVPZMWYGMUBSV-GFCCVEGCSA-N 1 0 289.339 2.003 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420279051 395291359 /nfs/dbraw/zinc/29/13/59/395291359.db2.gz JOMCQBYUMBWQHH-MNOVXSKESA-N 1 0 264.329 2.228 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420288953 395297292 /nfs/dbraw/zinc/29/72/92/395297292.db2.gz SPJVGKYCOHSNJZ-GHMZBOCLSA-N 1 0 290.367 2.492 20 5 CEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465720 395300214 /nfs/dbraw/zinc/30/02/14/395300214.db2.gz HPEKJRQACPKYBS-GXFFZTMASA-N 1 0 294.330 2.049 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293998209 395261853 /nfs/dbraw/zinc/26/18/53/395261853.db2.gz CJTDGYPUJDLTBA-KWBADKCTSA-N 1 0 279.340 2.253 20 5 CEBDRO C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000420341738 395336714 /nfs/dbraw/zinc/33/67/14/395336714.db2.gz QDIZRXZWBNEYNB-GXTWGEPZSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451258848 395600396 /nfs/dbraw/zinc/60/03/96/395600396.db2.gz RXPYFAYTXIEZRX-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000573347367 395605933 /nfs/dbraw/zinc/60/59/33/395605933.db2.gz ZJTXTXJREHDQHM-ABAIWWIYSA-N 1 0 298.346 2.250 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC000451197780 395592769 /nfs/dbraw/zinc/59/27/69/395592769.db2.gz OJIGJROXQDDKMP-LLVKDONJSA-N 1 0 295.314 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000574401898 395629307 /nfs/dbraw/zinc/62/93/07/395629307.db2.gz AOZNWLJODNBVMF-IAQYHMDHSA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(F)c1 ZINC000493768493 395673759 /nfs/dbraw/zinc/67/37/59/395673759.db2.gz XIDZYTUUCJJQFK-UMSPYCQHSA-N 1 0 282.315 2.375 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000045691573 400158116 /nfs/dbraw/zinc/15/81/16/400158116.db2.gz VAGSAGXRSKNNCE-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000045691568 400158401 /nfs/dbraw/zinc/15/84/01/400158401.db2.gz GTUYZPWPSHEYMV-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000359900800 155164120 /nfs/dbraw/zinc/16/41/20/155164120.db2.gz NXXIYCUNCYWZCI-VIFPVBQESA-N 1 0 284.335 2.458 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(CO)c2)cc1 ZINC000222116311 153310108 /nfs/dbraw/zinc/31/01/08/153310108.db2.gz DQGGELBRHYVLIK-UHFFFAOYSA-N 1 0 272.304 2.377 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000228938629 153372019 /nfs/dbraw/zinc/37/20/19/153372019.db2.gz JPIDIDMPCWSNEW-RYUDHWBXSA-N 1 0 293.367 2.467 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704175 153397150 /nfs/dbraw/zinc/39/71/50/153397150.db2.gz IUWJAEKAVSHCGZ-SNVBAGLBSA-N 1 0 268.338 2.199 20 5 CEBDRO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261672298 153805385 /nfs/dbraw/zinc/80/53/85/153805385.db2.gz FZCHYRZWWJHJCD-GWCFXTLKSA-N 1 0 277.324 2.441 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000346662416 154291529 /nfs/dbraw/zinc/29/15/29/154291529.db2.gz BVWPLVLAMOZFOD-VXGBXAGGSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1c[nH+]ccc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000359439252 155014519 /nfs/dbraw/zinc/01/45/19/155014519.db2.gz NLTLAAFMBSCOSE-UHFFFAOYSA-N 1 0 272.308 2.244 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000367074054 156124065 /nfs/dbraw/zinc/12/40/65/156124065.db2.gz WGDKBWVJFFYXIW-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO C[C@@H]1CC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834119 156244563 /nfs/dbraw/zinc/24/45/63/156244563.db2.gz VWUKHQXLVBUNNS-OCCSQVGLSA-N 1 0 278.356 2.303 20 5 CEBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000368075087 156280710 /nfs/dbraw/zinc/28/07/10/156280710.db2.gz PWFYLLKXOQZRHP-OAHLLOKOSA-N 1 0 278.352 2.435 20 5 CEBDRO Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000106365901 292425405 /nfs/dbraw/zinc/42/54/05/292425405.db2.gz OJAZNTJDIGLGSR-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520767 286895307 /nfs/dbraw/zinc/89/53/07/286895307.db2.gz PPAHYBISQVJMBD-LXIMFEHMSA-N 1 0 270.354 2.012 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000048781019 162288706 /nfs/dbraw/zinc/28/87/06/162288706.db2.gz WFODJRYFGGSTAL-WDEREUQCSA-N 1 0 295.364 2.013 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000168627013 162366046 /nfs/dbraw/zinc/36/60/46/162366046.db2.gz XEOJMLDEUGUJJH-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174816905 165117322 /nfs/dbraw/zinc/11/73/22/165117322.db2.gz MTVHUDBUWVLNAY-YPMHNXCESA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000177825293 165211040 /nfs/dbraw/zinc/21/10/40/165211040.db2.gz WMXMVEULOGYVNE-WFASDCNBSA-N 1 0 286.335 2.484 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127087 171011865 /nfs/dbraw/zinc/01/18/65/171011865.db2.gz KKFFQKPNLBAGSB-GFCCVEGCSA-N 1 0 263.341 2.341 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000285388650 196269431 /nfs/dbraw/zinc/26/94/31/196269431.db2.gz NVBUXRBKOAOUGR-BETUJISGSA-N 1 0 250.298 2.204 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000037249109 173061050 /nfs/dbraw/zinc/06/10/50/173061050.db2.gz HWOUSINXGKWILV-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060723 174071370 /nfs/dbraw/zinc/07/13/70/174071370.db2.gz YBYAZTCATBCVLI-LSDHHAIUSA-N 1 0 294.351 2.441 20 5 CEBDRO CCN1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502793 174299200 /nfs/dbraw/zinc/29/92/00/174299200.db2.gz FTWQFLCVEBOGAW-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000040623923 174355977 /nfs/dbraw/zinc/35/59/77/174355977.db2.gz QXNUIUACKPTWOE-NSHDSACASA-N 1 0 264.329 2.132 20 5 CEBDRO C[C@@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669974 174368313 /nfs/dbraw/zinc/36/83/13/174368313.db2.gz MTGXVJRNCDJWGM-BXUZGUMPSA-N 1 0 293.371 2.307 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690805 174376910 /nfs/dbraw/zinc/37/69/10/174376910.db2.gz GHXBYBIUDSGPLA-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045141689 175316028 /nfs/dbraw/zinc/31/60/28/175316028.db2.gz UQIZFTTZGBNBIB-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000045141687 175316154 /nfs/dbraw/zinc/31/61/54/175316154.db2.gz UQIZFTTZGBNBIB-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000071950864 176303824 /nfs/dbraw/zinc/30/38/24/176303824.db2.gz ZPPWZQCENSZZMY-SNVBAGLBSA-N 1 0 280.328 2.057 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076494243 177028812 /nfs/dbraw/zinc/02/88/12/177028812.db2.gz FKSFTFNKTYMVKW-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000077424251 177265552 /nfs/dbraw/zinc/26/55/52/177265552.db2.gz VWVDICXTKXHXNI-MNOVXSKESA-N 1 0 252.314 2.010 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCCCC1 ZINC000078514840 177348973 /nfs/dbraw/zinc/34/89/73/177348973.db2.gz BSIQITGIVIAWIA-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476479 298992279 /nfs/dbraw/zinc/99/22/79/298992279.db2.gz YCXLFVCFMKOCGY-SKDRFNHKSA-N 1 0 250.298 2.207 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397490281 270354406 /nfs/dbraw/zinc/35/44/06/270354406.db2.gz ZCRBYWBNLNLSEI-YWVKMMECSA-N 1 0 297.380 2.102 20 5 CEBDRO Cc1ccnc(NC[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420274381 270500901 /nfs/dbraw/zinc/50/09/01/270500901.db2.gz FUMVAJXMVDSAOK-QWRGUYRKSA-N 1 0 264.329 2.228 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420636900 270547424 /nfs/dbraw/zinc/54/74/24/270547424.db2.gz OALNLXNRSNPYIY-JTQLQIEISA-N 1 0 284.747 2.174 20 5 CEBDRO C[NH2+]CCN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423500012 270917863 /nfs/dbraw/zinc/91/78/63/270917863.db2.gz CRMDATORASRWEU-UHFFFAOYSA-N 1 0 279.340 2.010 20 5 CEBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426216810 271204629 /nfs/dbraw/zinc/20/46/29/271204629.db2.gz SDGMUHOQLSYULG-GHMZBOCLSA-N 1 0 270.354 2.392 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000426527191 271224001 /nfs/dbraw/zinc/22/40/01/271224001.db2.gz ACMYHHQXDOVKQW-OAHLLOKOSA-N 1 0 294.351 2.141 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH+](C)C)CC1 ZINC000430196070 271362200 /nfs/dbraw/zinc/36/22/00/271362200.db2.gz LBZCHMLCISFMKW-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000430225560 271364627 /nfs/dbraw/zinc/36/46/27/271364627.db2.gz YJLSMLQFZQWQAY-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430284806 271371855 /nfs/dbraw/zinc/37/18/55/271371855.db2.gz NUTQPJMHMUHYFX-JTQLQIEISA-N 1 0 289.335 2.092 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000430601415 271399160 /nfs/dbraw/zinc/39/91/60/271399160.db2.gz UCCBBIDKKWPDMG-LLVKDONJSA-N 1 0 257.359 2.119 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000113516103 273798347 /nfs/dbraw/zinc/79/83/47/273798347.db2.gz GUDTVFKUUZFEGV-NSHDSACASA-N 1 0 281.331 2.117 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[NH+](C)C ZINC000343784638 274000828 /nfs/dbraw/zinc/00/08/28/274000828.db2.gz AJDDJFRBIVNOAY-JTQLQIEISA-N 1 0 295.339 2.052 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408112960 274333792 /nfs/dbraw/zinc/33/37/92/274333792.db2.gz OYZFTNOMHVPLPB-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558513 274335271 /nfs/dbraw/zinc/33/52/71/274335271.db2.gz FIJYZQAVAMXHFD-VXGBXAGGSA-N 1 0 263.341 2.371 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000371700524 275035573 /nfs/dbraw/zinc/03/55/73/275035573.db2.gz FPVHWYIFJFSOSB-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000377776382 275039188 /nfs/dbraw/zinc/03/91/88/275039188.db2.gz UVPQDAYJUYUPCR-UHFFFAOYSA-N 1 0 298.342 2.214 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000298406761 276118265 /nfs/dbraw/zinc/11/82/65/276118265.db2.gz KVVOAMQCCLOSKD-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272628130 277177551 /nfs/dbraw/zinc/17/75/51/277177551.db2.gz MRUUXRLFSBWQPV-WFASDCNBSA-N 1 0 275.352 2.121 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272250249 277178151 /nfs/dbraw/zinc/17/81/51/277178151.db2.gz YHGWSJHHMDEPNF-ZANVPECISA-N 1 0 297.305 2.403 20 5 CEBDRO C[NH2+]CCC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149435144 277266229 /nfs/dbraw/zinc/26/62/29/277266229.db2.gz NBZONNIOGAKJNJ-UHFFFAOYSA-N 1 0 298.774 2.469 20 5 CEBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126445961 277568953 /nfs/dbraw/zinc/56/89/53/277568953.db2.gz DFFYWRXGCDQRPV-CQSZACIVSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000063192826 278632876 /nfs/dbraw/zinc/63/28/76/278632876.db2.gz BLUVAXKSRMMGRO-SMDDNHRTSA-N 1 0 291.351 2.245 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357040 278991892 /nfs/dbraw/zinc/99/18/92/278991892.db2.gz NSWDSVAVCGBVBC-ZYHUDNBSSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[N@H+](C[C@@H](C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194204 279216270 /nfs/dbraw/zinc/21/62/70/279216270.db2.gz IRDNYNOIEUMRQL-GHMZBOCLSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@H](C[NH3+])NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415699494 279296739 /nfs/dbraw/zinc/29/67/39/279296739.db2.gz JCEJGNYWLCQWPS-SECBINFHSA-N 1 0 294.355 2.361 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063192300 279404831 /nfs/dbraw/zinc/40/48/31/279404831.db2.gz KWZHQPJHKWHVHZ-ZANVPECISA-N 1 0 295.314 2.076 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134245845 280016151 /nfs/dbraw/zinc/01/61/51/280016151.db2.gz IURXRCSDNRGPRG-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000357047444 280112152 /nfs/dbraw/zinc/11/21/52/280112152.db2.gz WDIJGXLJYOBFGU-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189311253 280148514 /nfs/dbraw/zinc/14/85/14/280148514.db2.gz JUUAMLDIIRQJDJ-RISCZKNCSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC000135217186 280324018 /nfs/dbraw/zinc/32/40/18/280324018.db2.gz BQDCFPPVDWDVPL-RISCZKNCSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000352767524 281022742 /nfs/dbraw/zinc/02/27/42/281022742.db2.gz BYZVZOKSTTWMOL-UHIISALHSA-N 1 0 264.325 2.277 20 5 CEBDRO C[NH2+]CCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720467 281082306 /nfs/dbraw/zinc/08/23/06/281082306.db2.gz HGRXIPACHPDBPT-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000267289224 288313822 /nfs/dbraw/zinc/31/38/22/288313822.db2.gz QYIVYGJCVHFQQI-QWHCGFSZSA-N 1 0 290.367 2.361 20 5 CEBDRO CC(C)[C@H](C[NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000433135775 281369572 /nfs/dbraw/zinc/36/95/72/281369572.db2.gz OHZQEAFCKKMOIT-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000155875922 289184785 /nfs/dbraw/zinc/18/47/85/289184785.db2.gz AGACOORLHLROCF-CQSZACIVSA-N 1 0 279.340 2.088 20 5 CEBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000311596154 289279751 /nfs/dbraw/zinc/27/97/51/289279751.db2.gz BLGMNRFELJDJEM-DGCLKSJQSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1c(C[NH2+]C2(CO)CCSCC2)cccc1[N+](=O)[O-] ZINC000459717097 290216548 /nfs/dbraw/zinc/21/65/48/290216548.db2.gz SYZFZSPPXUOZTD-UHFFFAOYSA-N 1 0 296.392 2.251 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487132655 290333125 /nfs/dbraw/zinc/33/31/25/290333125.db2.gz XPJUBOWLVQCVDX-CYBMUJFWSA-N 1 0 278.356 2.075 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488078086 290377058 /nfs/dbraw/zinc/37/70/58/290377058.db2.gz HZUVINADYHINTJ-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000539415725 298247571 /nfs/dbraw/zinc/24/75/71/298247571.db2.gz HDFYWRWEARHBBY-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000132283195 298999478 /nfs/dbraw/zinc/99/94/78/298999478.db2.gz CKLPLSGKYOEPPC-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ncccn1)C1CC1 ZINC000566688976 299015676 /nfs/dbraw/zinc/01/56/76/299015676.db2.gz HCNWOMLFOHYVMJ-AWEZNQCLSA-N 1 0 298.346 2.496 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976541 301787103 /nfs/dbraw/zinc/78/71/03/301787103.db2.gz LNDXWBNIQSWXLD-WCQYABFASA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1cnc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268109720 302345516 /nfs/dbraw/zinc/34/55/16/302345516.db2.gz CBVQRBSWIKXJBO-NWDGAFQWSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269107881 302349882 /nfs/dbraw/zinc/34/98/82/302349882.db2.gz VIUARJOKVXUWGO-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000514727774 313054076 /nfs/dbraw/zinc/05/40/76/313054076.db2.gz MBLHNUWNJUKGSZ-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000570799629 314058735 /nfs/dbraw/zinc/05/87/35/314058735.db2.gz YQLUVVKGFOTOPB-VWYCJHECSA-N 1 0 294.355 2.081 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137170 314209145 /nfs/dbraw/zinc/20/91/45/314209145.db2.gz QVHGKLBHTQSQRD-QWRGUYRKSA-N 1 0 279.340 2.078 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000576122166 314245128 /nfs/dbraw/zinc/24/51/28/314245128.db2.gz YJDATZPFSGVDMA-MFKMUULPSA-N 1 0 298.346 2.452 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000581005684 322361379 /nfs/dbraw/zinc/36/13/79/322361379.db2.gz YTXHCDVTWCMCGW-VXGBXAGGSA-N 1 0 291.351 2.163 20 5 CEBDRO Cc1c(NC(=O)NC2(C[NH3+])CCCC2)cccc1[N+](=O)[O-] ZINC000414700050 533904287 /nfs/dbraw/zinc/90/42/87/533904287.db2.gz KBTKZKYTAVRDRK-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO COc1cc(C[NH2+][C@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000355013757 533905137 /nfs/dbraw/zinc/90/51/37/533905137.db2.gz OLOIHOKQOFSZRZ-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274420700 517438499 /nfs/dbraw/zinc/43/84/99/517438499.db2.gz DHONEOXDGBVQGB-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000414652670 534340581 /nfs/dbraw/zinc/34/05/81/534340581.db2.gz DRNBUULHTKXXOB-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000414653894 534340979 /nfs/dbraw/zinc/34/09/79/534340979.db2.gz FINCIHSZSWKVBI-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CC(C)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452972 519813265 /nfs/dbraw/zinc/81/32/65/519813265.db2.gz OTZGRQZLDATXJE-FZMZJTMJSA-N 1 0 291.351 2.334 20 5 CEBDRO Cc1nc(N[C@H]2CCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC000357778604 534499138 /nfs/dbraw/zinc/49/91/38/534499138.db2.gz IXNIWEJXEIPRLK-JQWIXIFHSA-N 1 0 264.329 2.193 20 5 CEBDRO CCC[C@H]([NH2+][C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358892 521174696 /nfs/dbraw/zinc/17/46/96/521174696.db2.gz HXZANXLDRAYDBS-MFKMUULPSA-N 1 0 279.340 2.290 20 5 CEBDRO [NH3+]C1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415635230 534557707 /nfs/dbraw/zinc/55/77/07/534557707.db2.gz UEODINKXNLMGJC-UHFFFAOYSA-N 1 0 296.302 2.125 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000366662210 523748250 /nfs/dbraw/zinc/74/82/50/523748250.db2.gz JYPNJMGOBCRRLW-ZDUSSCGKSA-N 1 0 292.335 2.226 20 5 CEBDRO COc1ccc(C[NH2+]CCCSC)cc1[N+](=O)[O-] ZINC000069447073 524070188 /nfs/dbraw/zinc/07/01/88/524070188.db2.gz ZNVDDXXEWFAGJM-UHFFFAOYSA-N 1 0 270.354 2.446 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050162430 524202631 /nfs/dbraw/zinc/20/26/31/524202631.db2.gz NKRGCPQWTMDLIY-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000063191402 524840773 /nfs/dbraw/zinc/84/07/73/524840773.db2.gz FFXCZNYZNXUXLT-FZMZJTMJSA-N 1 0 263.341 2.297 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(C)CC1 ZINC000052812573 525576547 /nfs/dbraw/zinc/57/65/47/525576547.db2.gz NKDLBJUJANZYEN-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160355250 525641090 /nfs/dbraw/zinc/64/10/90/525641090.db2.gz BTHIGCUNEXGWRO-ZYHUDNBSSA-N 1 0 284.381 2.359 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(N)=O)CC1 ZINC000052941465 526084782 /nfs/dbraw/zinc/08/47/82/526084782.db2.gz GUDJQMDSBOZQMV-LLVKDONJSA-N 1 0 291.351 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000364844840 527362116 /nfs/dbraw/zinc/36/21/16/527362116.db2.gz SITNHJJLIPFVKQ-AWEZNQCLSA-N 1 0 290.367 2.445 20 5 CEBDRO CCOC(C)(C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000186542515 528430139 /nfs/dbraw/zinc/43/01/39/528430139.db2.gz ZSWVGJXFNGMYLK-UHFFFAOYSA-N 1 0 298.339 2.214 20 5 CEBDRO CC(C)[C@@]1(CO)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000367991956 528895826 /nfs/dbraw/zinc/89/58/26/528895826.db2.gz FLZCDYAQFSJXQH-INIZCTEOSA-N 1 0 292.379 2.478 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414528252 529186853 /nfs/dbraw/zinc/18/68/53/529186853.db2.gz NXZAVSPLFGBZSK-OCCSQVGLSA-N 1 0 266.341 2.480 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000229165736 535273364 /nfs/dbraw/zinc/27/33/64/535273364.db2.gz FMGROKFVNWQJMI-UHFFFAOYSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411890 575020428 /nfs/dbraw/zinc/02/04/28/575020428.db2.gz JUMOYQQPJHNXJV-QWRGUYRKSA-N 1 0 289.339 2.137 20 5 CEBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000744345082 575119726 /nfs/dbraw/zinc/11/97/26/575119726.db2.gz JESFTLFTDZSTGD-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1nn(C[N@H+](C)CCC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000746628505 575161212 /nfs/dbraw/zinc/16/12/12/575161212.db2.gz WGLOXUKVQISDMO-UHFFFAOYSA-N 1 0 289.339 2.337 20 5 CEBDRO Cc1nn(C[NH+]2C3CCC2CC3)c2ncc([N+](=O)[O-])cc12 ZINC000749939450 575240851 /nfs/dbraw/zinc/24/08/51/575240851.db2.gz XZRZBMHSCZMGPJ-UHFFFAOYSA-N 1 0 287.323 2.232 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952581 575241053 /nfs/dbraw/zinc/24/10/53/575241053.db2.gz VULHOVQRLIMZCY-LLVKDONJSA-N 1 0 289.339 2.480 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000750729247 575273257 /nfs/dbraw/zinc/27/32/57/575273257.db2.gz YXISHCDSKFUVNW-AWEZNQCLSA-N 1 0 293.367 2.219 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1Nc1ccc(CC[NH+](C)C)cc1 ZINC000892416156 625292581 /nfs/dbraw/zinc/29/25/81/625292581.db2.gz SVBAZIHVQGRPKV-UHFFFAOYSA-N 1 0 289.339 2.176 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC[NH2+]CC1 ZINC000236163288 625601950 /nfs/dbraw/zinc/60/19/50/625601950.db2.gz HPTKQBYNWMDBND-UHFFFAOYSA-N 1 0 273.695 2.187 20 5 CEBDRO CCOc1cc(C[NH2+][C@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000932492234 622896607 /nfs/dbraw/zinc/89/66/07/622896607.db2.gz PFEYKSUSHKYDTA-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO [NH3+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050249425 623374505 /nfs/dbraw/zinc/37/45/05/623374505.db2.gz XVBZWXGHJQFXBO-SECBINFHSA-N 1 0 269.732 2.029 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000261937951 623397212 /nfs/dbraw/zinc/39/72/12/623397212.db2.gz MHIJQWCHKVXYRH-BXKDBHETSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H]1CSCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934305270 624400586 /nfs/dbraw/zinc/40/05/86/624400586.db2.gz XOQBPTHKHZJMCJ-BXUZGUMPSA-N 1 0 296.392 2.456 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966710 627906507 /nfs/dbraw/zinc/90/65/07/627906507.db2.gz YFTJZVRYIIVGGV-NSHDSACASA-N 1 0 298.339 2.070 20 5 CEBDRO Cc1c([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cccc1[N+](=O)[O-] ZINC000902476274 634667634 /nfs/dbraw/zinc/66/76/34/634667634.db2.gz ONWDRUMWWPNSEK-MHDGFBEUSA-N 1 0 275.352 2.447 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902447646 634670496 /nfs/dbraw/zinc/67/04/96/634670496.db2.gz UWDAKUKNCLZFHF-GWCFXTLKSA-N 1 0 263.341 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[NH2+]CC1 ZINC000093631668 628686439 /nfs/dbraw/zinc/68/64/39/628686439.db2.gz OBWJZMBSIIBWAK-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732936 628687632 /nfs/dbraw/zinc/68/76/32/628687632.db2.gz HGKLVLHFYLOSEL-UONOGXRCSA-N 1 0 275.352 2.263 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1[NH3+] ZINC000094340423 628823009 /nfs/dbraw/zinc/82/30/09/628823009.db2.gz HBRZAYHBEGJALY-PELKAZGASA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000261891523 629304765 /nfs/dbraw/zinc/30/47/65/629304765.db2.gz TYXNZOTYGAALHT-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975023 629407902 /nfs/dbraw/zinc/40/79/02/629407902.db2.gz QQGBQGGSOBPHFD-GXSJLCMTSA-N 1 0 283.759 2.417 20 5 CEBDRO CC(C)C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000795545881 629602711 /nfs/dbraw/zinc/60/27/11/629602711.db2.gz HPQDMEUZEVXRIZ-AWEZNQCLSA-N 1 0 264.325 2.216 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000894778433 629634577 /nfs/dbraw/zinc/63/45/77/629634577.db2.gz OLGLGRDNRGILTK-RYUDHWBXSA-N 1 0 292.335 2.445 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841233483 629817183 /nfs/dbraw/zinc/81/71/83/629817183.db2.gz VNHRJMQQMGLSIF-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C3(CCCCC3)C2)c(F)c1 ZINC000895252677 630062373 /nfs/dbraw/zinc/06/23/73/630062373.db2.gz DJUQBZBIXPPFLF-UHFFFAOYSA-N 1 0 294.330 2.241 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CSC1 ZINC000895422862 630184921 /nfs/dbraw/zinc/18/49/21/630184921.db2.gz QTGXTDDKCIOAPA-UHFFFAOYSA-N 1 0 282.365 2.446 20 5 CEBDRO C[C@@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895734973 630325849 /nfs/dbraw/zinc/32/58/49/630325849.db2.gz BGVRMODGSCBMOK-ZYHUDNBSSA-N 1 0 286.335 2.069 20 5 CEBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895736306 630326798 /nfs/dbraw/zinc/32/67/98/630326798.db2.gz KDXGHQXUDNNYKT-CABZTGNLSA-N 1 0 277.324 2.302 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737760 630327144 /nfs/dbraw/zinc/32/71/44/630327144.db2.gz YHZVTOUWEPZJDJ-VHSXEESVSA-N 1 0 295.339 2.117 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000895769334 630338377 /nfs/dbraw/zinc/33/83/77/630338377.db2.gz BMYDCIVFUVMIHD-LLVKDONJSA-N 1 0 272.308 2.259 20 5 CEBDRO CCO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000896112680 630467128 /nfs/dbraw/zinc/46/71/28/630467128.db2.gz NNDZHEMIEZZHFX-LLVKDONJSA-N 1 0 299.346 2.421 20 5 CEBDRO CCO[C@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000896117781 630469491 /nfs/dbraw/zinc/46/94/91/630469491.db2.gz PNSQLTZUGVHUPI-SNVBAGLBSA-N 1 0 285.319 2.113 20 5 CEBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896402133 630554101 /nfs/dbraw/zinc/55/41/01/630554101.db2.gz WUSZKPAIYIKXHM-TZRMGHPMSA-N 1 0 276.340 2.129 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000896650571 630624596 /nfs/dbraw/zinc/62/45/96/630624596.db2.gz IHAVKIJIWUNRMO-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000320558232 630932813 /nfs/dbraw/zinc/93/28/13/630932813.db2.gz QLPHAGPTUZFYBF-YUMQZZPRSA-N 1 0 285.731 2.104 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800848575 631148943 /nfs/dbraw/zinc/14/89/43/631148943.db2.gz REGQKEHFWAQLTJ-NSHDSACASA-N 1 0 278.356 2.319 20 5 CEBDRO Cc1c(C[NH2+]C(C)(C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000145034871 631167638 /nfs/dbraw/zinc/16/76/38/631167638.db2.gz PDVTTYOBMZNQBR-JTQLQIEISA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CCO)C1CCC1 ZINC000221143121 631184342 /nfs/dbraw/zinc/18/43/42/631184342.db2.gz JEBHZSVUAGMKCM-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000801546125 631286527 /nfs/dbraw/zinc/28/65/27/631286527.db2.gz IDGDAVMSRPWHOB-MWLCHTKSSA-N 1 0 296.298 2.117 20 5 CEBDRO COC(=O)/C(C)=C/C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601820 631298555 /nfs/dbraw/zinc/29/85/55/631298555.db2.gz OWMQMRILLDDFIW-KPKJPENVSA-N 1 0 292.335 2.188 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804444155 631683358 /nfs/dbraw/zinc/68/33/58/631683358.db2.gz WCJQNYJAAFEEME-JTQLQIEISA-N 1 0 294.311 2.257 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H](O)C1CC1 ZINC000898205562 632086398 /nfs/dbraw/zinc/08/63/98/632086398.db2.gz FDCVDOOMYFHKKE-UJAVWCLSSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064697 632383162 /nfs/dbraw/zinc/38/31/62/632383162.db2.gz TVDSJLSMUUCZGT-CABZTGNLSA-N 1 0 283.759 2.336 20 5 CEBDRO COc1c(O)ccc(CNC/C=C/Cl)c1[N+](=O)[O-] ZINC000898430292 632492541 /nfs/dbraw/zinc/49/25/41/632492541.db2.gz XZSUJUOTPSEKRQ-GORDUTHDSA-N 1 0 272.688 2.151 20 5 CEBDRO O=c1c2ccccc2n(CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000813578731 632708266 /nfs/dbraw/zinc/70/82/66/632708266.db2.gz DJQSYLBDZXNKHJ-UHFFFAOYSA-N 1 0 287.319 2.006 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)C[NH+](C)C ZINC000813615384 632717144 /nfs/dbraw/zinc/71/71/44/632717144.db2.gz WVVIVUQQZHUCBL-JTQLQIEISA-N 1 0 279.340 2.407 20 5 CEBDRO C[C@@H](OCCC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899865453 633066626 /nfs/dbraw/zinc/06/66/26/633066626.db2.gz FXBHSTKBGBETDH-GFCCVEGCSA-N 1 0 252.314 2.021 20 5 CEBDRO CC(C)[NH2+]CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953786 633797688 /nfs/dbraw/zinc/79/76/88/633797688.db2.gz RDRIZRZYHVJTCF-NSHDSACASA-N 1 0 280.372 2.216 20 5 CEBDRO CSCCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819083738 634064034 /nfs/dbraw/zinc/06/40/34/634064034.db2.gz DVDIZFXLDJENMU-ZDUSSCGKSA-N 1 0 284.381 2.361 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2CCC2)c1 ZINC000819145284 634082553 /nfs/dbraw/zinc/08/25/53/634082553.db2.gz AJKXJSXKBDUIFP-AWEZNQCLSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000819170739 634091096 /nfs/dbraw/zinc/09/10/96/634091096.db2.gz NPUGAXLUXXKRJO-PWSUYJOCSA-N 1 0 286.278 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000819190422 634099036 /nfs/dbraw/zinc/09/90/36/634099036.db2.gz JIIKPHSZHVBZDB-INIZCTEOSA-N 1 0 286.331 2.461 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819249955 634117554 /nfs/dbraw/zinc/11/75/54/634117554.db2.gz QEAKMBHYBSELRI-OSMZGAPFSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000819314370 634136796 /nfs/dbraw/zinc/13/67/96/634136796.db2.gz YURAFQZOVGVLDM-RISCZKNCSA-N 1 0 296.392 2.361 20 5 CEBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819325134 634141264 /nfs/dbraw/zinc/14/12/64/634141264.db2.gz YCBVEAGXVCXZFL-CABCVRRESA-N 1 0 294.351 2.033 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903098563 634967734 /nfs/dbraw/zinc/96/77/34/634967734.db2.gz QLTWDYVRVCJHGI-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCC2CC(O)C2)cc([N+](=O)[O-])c1 ZINC000903160177 634993772 /nfs/dbraw/zinc/99/37/72/634993772.db2.gz KXFKMXBTAOBQNV-IFQILLTASA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCC[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903160223 634993909 /nfs/dbraw/zinc/99/39/09/634993909.db2.gz VIFUXJHBTSWCNP-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO CC(C)C[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822815351 635002252 /nfs/dbraw/zinc/00/22/52/635002252.db2.gz ZUBAXXBPDXMKDN-UHFFFAOYSA-N 1 0 299.415 2.059 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCOCCF)cc([N+](=O)[O-])c1 ZINC000903205657 635014980 /nfs/dbraw/zinc/01/49/80/635014980.db2.gz KCHLSAOVBMQKJJ-SNVBAGLBSA-N 1 0 286.303 2.240 20 5 CEBDRO [NH3+]CCCCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069165 635059591 /nfs/dbraw/zinc/05/95/91/635059591.db2.gz HHVKARFMVNTUEI-UHFFFAOYSA-N 1 0 282.325 2.378 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)s1 ZINC000823069274 635059791 /nfs/dbraw/zinc/05/97/91/635059791.db2.gz LFEJUFAHKGIZHY-JMCQJSRRSA-N 1 0 292.320 2.173 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317004 635064202 /nfs/dbraw/zinc/06/42/02/635064202.db2.gz RXFSFJWNTXBDPU-UWVGGRQHSA-N 1 0 267.304 2.089 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[NH2+]C1 ZINC000903722499 635236122 /nfs/dbraw/zinc/23/61/22/635236122.db2.gz BNKBFGLKQZOFGR-CYBMUJFWSA-N 1 0 277.368 2.416 20 5 CEBDRO CC(C)([NH3+])CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000903939141 635348921 /nfs/dbraw/zinc/34/89/21/635348921.db2.gz RIHUZFCTCOAMBL-UHFFFAOYSA-N 1 0 271.748 2.465 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1C ZINC000903964594 635398478 /nfs/dbraw/zinc/39/84/78/635398478.db2.gz QZSRKORIHDACMZ-YRGRVCCFSA-N 1 0 277.368 2.113 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987804 635406849 /nfs/dbraw/zinc/40/68/49/635406849.db2.gz JVIAKEJRVJLKAA-LOWVWBTDSA-N 1 0 263.341 2.243 20 5 CEBDRO CCN(CC)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1F ZINC000905104778 635817871 /nfs/dbraw/zinc/81/78/71/635817871.db2.gz GWJOJWCCGWWAIM-UHFFFAOYSA-N 1 0 269.320 2.038 20 5 CEBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])ccc1Br ZINC000905284557 636208944 /nfs/dbraw/zinc/20/89/44/636208944.db2.gz NAPBQRUIERHGPM-UHFFFAOYSA-N 1 0 273.130 2.124 20 5 CEBDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]CC[N+](=O)[O-] ZINC000905398007 636256296 /nfs/dbraw/zinc/25/62/96/636256296.db2.gz FAGUMEGHNQMARA-ZDUSSCGKSA-N 1 0 275.352 2.366 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000906094037 636595174 /nfs/dbraw/zinc/59/51/74/636595174.db2.gz LHVADHXMTSGWLJ-VHSXEESVSA-N 1 0 265.313 2.285 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000906498762 636753935 /nfs/dbraw/zinc/75/39/35/636753935.db2.gz DTOJXYVQWBBTPN-LLVKDONJSA-N 1 0 279.340 2.430 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCCC[NH+](C)C ZINC000830368987 637051051 /nfs/dbraw/zinc/05/10/51/637051051.db2.gz DTISHVBJOGWSCK-UHFFFAOYSA-N 1 0 284.287 2.151 20 5 CEBDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000876545405 650316228 /nfs/dbraw/zinc/31/62/28/650316228.db2.gz LNUFKTMUSAJNNJ-CWBMUHOVSA-N 1 0 289.335 2.253 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000876546093 650316973 /nfs/dbraw/zinc/31/69/73/650316973.db2.gz YBFMHXGLLDURCI-PHIMTYICSA-N 1 0 277.324 2.359 20 5 CEBDRO C[N@@H+](Cc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000831039342 637221582 /nfs/dbraw/zinc/22/15/82/637221582.db2.gz ZHRLBWIHNKPJJY-HNNXBMFYSA-N 1 0 287.319 2.155 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC)[NH+](C)C ZINC000908282258 637284180 /nfs/dbraw/zinc/28/41/80/637284180.db2.gz UFZNMALQWCQHTF-GFCCVEGCSA-N 1 0 295.339 2.272 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000876816353 650445137 /nfs/dbraw/zinc/44/51/37/650445137.db2.gz XTZGHDHXWKVQSS-DOMZBBRYSA-N 1 0 278.352 2.414 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876860447 650462170 /nfs/dbraw/zinc/46/21/70/650462170.db2.gz BBGLMKGTJCWRPP-UWVGGRQHSA-N 1 0 287.319 2.214 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044528615 639322326 /nfs/dbraw/zinc/32/23/26/639322326.db2.gz WSODQWKXHMZSRH-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000044572436 639342889 /nfs/dbraw/zinc/34/28/89/639342889.db2.gz PXFRVZVWVWRRLR-SECBINFHSA-N 1 0 293.327 2.273 20 5 CEBDRO COc1cc(-c2nc([C@@H]([NH3+])C(C)C)no2)ccc1[N+](=O)[O-] ZINC000164977364 639408906 /nfs/dbraw/zinc/40/89/06/639408906.db2.gz NWRGJXFANPTDHN-NSHDSACASA-N 1 0 292.295 2.309 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000223284510 639418562 /nfs/dbraw/zinc/41/85/62/639418562.db2.gz GANBHIXODMNREY-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840821445 639552781 /nfs/dbraw/zinc/55/27/81/639552781.db2.gz NJXKBGHZQKDKRN-BHYNMZESSA-N 1 0 279.340 2.395 20 5 CEBDRO [NH3+][C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841051954 639633425 /nfs/dbraw/zinc/63/34/25/639633425.db2.gz WNFLEKNTWWJROJ-NSHDSACASA-N 1 0 269.732 2.075 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064077 639639465 /nfs/dbraw/zinc/63/94/65/639639465.db2.gz PABNSEHPPHFDPX-NOZJJQNGSA-N 1 0 283.759 2.336 20 5 CEBDRO CC[C@H]([NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841071368 639642646 /nfs/dbraw/zinc/64/26/46/639642646.db2.gz DXWMOAMVYXDYDT-VIFPVBQESA-N 1 0 257.721 2.075 20 5 CEBDRO Cc1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000841106378 639683109 /nfs/dbraw/zinc/68/31/09/639683109.db2.gz LGLGPUAOHYXLOZ-OAHLLOKOSA-N 1 0 275.352 2.231 20 5 CEBDRO CCN(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000876996364 650524118 /nfs/dbraw/zinc/52/41/18/650524118.db2.gz RFKGBTUIPYCAJY-UHFFFAOYSA-N 1 0 279.384 2.457 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000231308098 639845846 /nfs/dbraw/zinc/84/58/46/639845846.db2.gz CXBYKASDFOELST-JQWIXIFHSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000925382653 640021530 /nfs/dbraw/zinc/02/15/30/640021530.db2.gz MIFBRPICYUGDGB-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC3CC[NH2+]CC3)n2)s1 ZINC000843219041 640351745 /nfs/dbraw/zinc/35/17/45/640351745.db2.gz QWEILTXODNFSSY-UHFFFAOYSA-N 1 0 294.336 2.248 20 5 CEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCC(C)(C)[NH3+])CC2 ZINC000843494202 640442670 /nfs/dbraw/zinc/44/26/70/640442670.db2.gz JCPDALAQBYOVJV-UHFFFAOYSA-N 1 0 291.351 2.310 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000915804324 640616865 /nfs/dbraw/zinc/61/68/65/640616865.db2.gz OTKHXRDWQSMGJA-UHFFFAOYSA-N 1 0 292.291 2.450 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000915874613 640640656 /nfs/dbraw/zinc/64/06/56/640640656.db2.gz QHRGWXKSCDBQCS-UHFFFAOYSA-N 1 0 284.337 2.299 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000844311011 640671784 /nfs/dbraw/zinc/67/17/84/640671784.db2.gz WPZMOFZCNWHGDH-CYBMUJFWSA-N 1 0 275.352 2.047 20 5 CEBDRO CCC1([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000877163251 650604592 /nfs/dbraw/zinc/60/45/92/650604592.db2.gz GGRFPBPKCVIEJO-UHFFFAOYSA-N 1 0 294.355 2.044 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000917761255 640914700 /nfs/dbraw/zinc/91/47/00/640914700.db2.gz SVDRFQQIDSYKNN-LLVKDONJSA-N 1 0 287.319 2.004 20 5 CEBDRO C[N@@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000917761257 640914931 /nfs/dbraw/zinc/91/49/31/640914931.db2.gz SVDRFQQIDSYKNN-NSHDSACASA-N 1 0 287.319 2.004 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1ccco1 ZINC000848523100 642032301 /nfs/dbraw/zinc/03/23/01/642032301.db2.gz ZRVKUODKFYCREF-TZMCWYRMSA-N 1 0 288.303 2.498 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CCO)C1CC1 ZINC000848534226 642039566 /nfs/dbraw/zinc/03/95/66/642039566.db2.gz QAIGUGPERSULAV-KGLIPLIRSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1cc(-c2noc(CC[NH2+]C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000848629876 642080601 /nfs/dbraw/zinc/08/06/01/642080601.db2.gz GMMGWKUSGONFGF-UHFFFAOYSA-N 1 0 288.307 2.248 20 5 CEBDRO Cc1cccc(C(=O)N(C)CCCCCC[NH3+])c1[N+](=O)[O-] ZINC000877441582 650723789 /nfs/dbraw/zinc/72/37/89/650723789.db2.gz GBWNXDDRJGSZFK-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO Cn1cc(C[N@@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])n1 ZINC000877461726 650730045 /nfs/dbraw/zinc/73/00/45/650730045.db2.gz GFWCADGKFQKKGT-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO C[C@@H]1CCCN(C(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000849001437 642219399 /nfs/dbraw/zinc/21/93/99/642219399.db2.gz CHUHMJVNXCWVLZ-GFCCVEGCSA-N 1 0 290.367 2.394 20 5 CEBDRO CC(C)NC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000849006587 642223527 /nfs/dbraw/zinc/22/35/27/642223527.db2.gz SOTDLEPKVIRGCK-UHFFFAOYSA-N 1 0 278.356 2.440 20 5 CEBDRO CCCNC(=[NH2+])NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000849029086 642242335 /nfs/dbraw/zinc/24/23/35/642242335.db2.gz AZSRJSGLQSSAJG-UHFFFAOYSA-N 1 0 289.339 2.143 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C=CCC1)OCCO2 ZINC000850358804 642682084 /nfs/dbraw/zinc/68/20/84/642682084.db2.gz WUTRQQIGRCJYNC-NSHDSACASA-N 1 0 276.292 2.174 20 5 CEBDRO CON(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000850478838 642725866 /nfs/dbraw/zinc/72/58/66/642725866.db2.gz HEBFZIYMIRPNCF-CQSZACIVSA-N 1 0 279.340 2.055 20 5 CEBDRO CCC(C)(C)OCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877579123 650798017 /nfs/dbraw/zinc/79/80/17/650798017.db2.gz VBHDLEIHASFZQH-UHFFFAOYSA-N 1 0 296.371 2.290 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000922557534 643128133 /nfs/dbraw/zinc/12/81/33/643128133.db2.gz QAYCXQLYWRMPPV-RCOIXESOSA-N 1 0 275.352 2.290 20 5 CEBDRO Cc1noc(C[NH2+]C2(CCO)CCCCC2)c1[N+](=O)[O-] ZINC000851854736 643192911 /nfs/dbraw/zinc/19/29/11/643192911.db2.gz VRHUBGJIKNRXBY-UHFFFAOYSA-N 1 0 283.328 2.066 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@H]1CCOC1 ZINC000922939271 643461423 /nfs/dbraw/zinc/46/14/23/643461423.db2.gz NFMYQYXVXBVQAO-MFBWXBCUSA-N 1 0 292.335 2.003 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000923443404 643712940 /nfs/dbraw/zinc/71/29/40/643712940.db2.gz OOWPXEWSTPYXPW-RWMBFGLXSA-N 1 0 293.367 2.044 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000853231385 643717330 /nfs/dbraw/zinc/71/73/30/643717330.db2.gz HOSYLJQGWKKJPT-NSHDSACASA-N 1 0 289.335 2.446 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923503420 643739601 /nfs/dbraw/zinc/73/96/01/643739601.db2.gz IBMKVEPBGSLQEB-NEPJUHHUSA-N 1 0 263.341 2.012 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520765 643749130 /nfs/dbraw/zinc/74/91/30/643749130.db2.gz WEKFQDGVCJJBLG-FPMFFAJLSA-N 1 0 275.352 2.197 20 5 CEBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000853651899 643847263 /nfs/dbraw/zinc/84/72/63/643847263.db2.gz SVHCHQIKFOHLCX-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO C[C@@H](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+](C)C ZINC000853799402 643905185 /nfs/dbraw/zinc/90/51/85/643905185.db2.gz POVDYOLXXZEXNG-VIFPVBQESA-N 1 0 282.300 2.255 20 5 CEBDRO CN(CCC[NH+](C)C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853799454 643905203 /nfs/dbraw/zinc/90/52/03/643905203.db2.gz QRZOEOFKCZDQLO-UHFFFAOYSA-N 1 0 298.362 2.029 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877751294 650893806 /nfs/dbraw/zinc/89/38/06/650893806.db2.gz AXSMQJGKAHNUNT-AWEZNQCLSA-N 1 0 278.352 2.230 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855417726 644337497 /nfs/dbraw/zinc/33/74/97/644337497.db2.gz NSHJHXIFGVYEKR-VIFPVBQESA-N 1 0 297.330 2.112 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000755056725 644465652 /nfs/dbraw/zinc/46/56/52/644465652.db2.gz UOSYXCICMJOHKD-CYBMUJFWSA-N 1 0 294.351 2.244 20 5 CEBDRO Cc1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000858600492 645217296 /nfs/dbraw/zinc/21/72/96/645217296.db2.gz WJSPTZFYKPAXIB-UHFFFAOYSA-N 1 0 281.331 2.385 20 5 CEBDRO C[S@](=O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000116920002 645574886 /nfs/dbraw/zinc/57/48/86/645574886.db2.gz DYWBFCCCNOQVPL-GOSISDBHSA-N 1 0 290.772 2.106 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000763756386 645574994 /nfs/dbraw/zinc/57/49/94/645574994.db2.gz ADYVEDMBIZPDEA-WDEREUQCSA-N 1 0 290.319 2.341 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860064774 645688799 /nfs/dbraw/zinc/68/87/99/645688799.db2.gz DAYSWHDMCGEKGN-CQSZACIVSA-N 1 0 296.367 2.111 20 5 CEBDRO CN1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765768452 645805644 /nfs/dbraw/zinc/80/56/44/645805644.db2.gz PGQXBBWWONXWSD-LSDHHAIUSA-N 1 0 289.379 2.210 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[NH+](C)C)c1 ZINC000771071132 646485759 /nfs/dbraw/zinc/48/57/59/646485759.db2.gz PZNAAXLRFXNOJG-MRVPVSSYSA-N 1 0 271.292 2.105 20 5 CEBDRO CCC(CC)NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000864452493 647008551 /nfs/dbraw/zinc/00/85/51/647008551.db2.gz HLBAJQOQEVDXMQ-UHFFFAOYSA-N 1 0 264.329 2.397 20 5 CEBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000864618351 647065914 /nfs/dbraw/zinc/06/59/14/647065914.db2.gz AQXMEDFKZMDMQP-SNVBAGLBSA-N 1 0 292.339 2.104 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589248 647076069 /nfs/dbraw/zinc/07/60/69/647076069.db2.gz QMHGOIPTSIGZJJ-KGLIPLIRSA-N 1 0 296.392 2.456 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000776600659 647077502 /nfs/dbraw/zinc/07/75/02/647077502.db2.gz CSQPGXNHKMBWNZ-PWSUYJOCSA-N 1 0 286.278 2.215 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccco2)c(F)c1 ZINC000778076458 647198427 /nfs/dbraw/zinc/19/84/27/647198427.db2.gz XTTIUFJJZYNPKX-LBPRGKRZSA-N 1 0 280.255 2.150 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205310 647668590 /nfs/dbraw/zinc/66/85/90/647668590.db2.gz CEDNDBBXNXNYBY-NEPJUHHUSA-N 1 0 261.325 2.125 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866213378 647675614 /nfs/dbraw/zinc/67/56/14/647675614.db2.gz PVXKECJFCDAULC-ZJUUUORDSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866282958 647716077 /nfs/dbraw/zinc/71/60/77/647716077.db2.gz QFBDPFYUHDLQBL-GHMZBOCLSA-N 1 0 284.331 2.416 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866283072 647716514 /nfs/dbraw/zinc/71/65/14/647716514.db2.gz VITFQVOCVAEBRT-GXFFZTMASA-N 1 0 284.331 2.271 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000866356000 647753112 /nfs/dbraw/zinc/75/31/12/647753112.db2.gz ILFDLVVLRFPHCS-MNOVXSKESA-N 1 0 283.347 2.205 20 5 CEBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791051335 648476140 /nfs/dbraw/zinc/47/61/40/648476140.db2.gz AZFYIFKRYMKRNR-JTQLQIEISA-N 1 0 256.733 2.480 20 5 CEBDRO CCC[C@@H]1C[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870913566 648952628 /nfs/dbraw/zinc/95/26/28/648952628.db2.gz XBAFKISEZWLSLM-WDBKCZKBSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H](CCO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037190 649249548 /nfs/dbraw/zinc/24/95/48/649249548.db2.gz BVCQEMSFUOWGRD-BDAKNGLRSA-N 1 0 256.277 2.155 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129527 649286930 /nfs/dbraw/zinc/28/69/30/649286930.db2.gz JUGLYUPGAQABLU-LOWVWBTDSA-N 1 0 263.341 2.196 20 5 CEBDRO Cc1nonc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000872135469 649288613 /nfs/dbraw/zinc/28/86/13/649288613.db2.gz HKWVPQQIEGMFLF-MRVPVSSYSA-N 1 0 294.286 2.146 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000872243244 649326445 /nfs/dbraw/zinc/32/64/45/649326445.db2.gz MHFBCKSFGOXNFO-KBPBESRZSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873047704 649541360 /nfs/dbraw/zinc/54/13/60/649541360.db2.gz ZWTMPMFQPFQXCK-CQSZACIVSA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[S@@](C)=O ZINC000873053017 649544693 /nfs/dbraw/zinc/54/46/93/649544693.db2.gz CJZLTGLIKCEGAJ-LJQANCHMSA-N 1 0 284.381 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000873074821 649552329 /nfs/dbraw/zinc/55/23/29/649552329.db2.gz RHMWZHLLXWOVGJ-YBTHPKLGSA-N 1 0 298.408 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000873079930 649554007 /nfs/dbraw/zinc/55/40/07/649554007.db2.gz IMKRZODJWCCPQY-QWHCGFSZSA-N 1 0 276.336 2.238 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000873109549 649559854 /nfs/dbraw/zinc/55/98/54/649559854.db2.gz XIZOPDLHYLNMOT-UONOGXRCSA-N 1 0 278.352 2.461 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000873130382 649565182 /nfs/dbraw/zinc/56/51/82/649565182.db2.gz CVFXWJJDGXXPQQ-PWSUYJOCSA-N 1 0 288.294 2.397 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000873229508 649600624 /nfs/dbraw/zinc/60/06/24/649600624.db2.gz BFLCGRFJOFYHGT-PWSUYJOCSA-N 1 0 267.354 2.031 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC1OCCO1)C1CC1 ZINC000125139283 649815780 /nfs/dbraw/zinc/81/57/80/649815780.db2.gz VJJNVNWQMVRDJH-UHFFFAOYSA-N 1 0 292.335 2.322 20 5 CEBDRO CC(C)[C@@H](O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878598915 651137958 /nfs/dbraw/zinc/13/79/58/651137958.db2.gz QDIIWNPHSSXDQQ-HNNXBMFYSA-N 1 0 280.368 2.476 20 5 CEBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000879266771 651273821 /nfs/dbraw/zinc/27/38/21/651273821.db2.gz QYTCKTOZFCTCAD-VHRBIJSZSA-N 1 0 278.356 2.387 20 5 CEBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000879706677 651341888 /nfs/dbraw/zinc/34/18/88/651341888.db2.gz SVLRIKUMNCRHST-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000880613526 651472013 /nfs/dbraw/zinc/47/20/13/651472013.db2.gz UNRKHDJNTKHAPE-LBPRGKRZSA-N 1 0 299.415 2.011 20 5 CEBDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227099 651641148 /nfs/dbraw/zinc/64/11/48/651641148.db2.gz KCKCZLHKJVCKBM-QMMMGPOBSA-N 1 0 295.730 2.168 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000882018232 651939750 /nfs/dbraw/zinc/93/97/50/651939750.db2.gz RZYYJOFTWPBASY-BDAKNGLRSA-N 1 0 268.292 2.024 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882032050 651942641 /nfs/dbraw/zinc/94/26/41/651942641.db2.gz AGYKYEGWYXTRBM-LLVKDONJSA-N 1 0 296.346 2.297 20 5 CEBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882820118 652228771 /nfs/dbraw/zinc/22/87/71/652228771.db2.gz GFEGPBJDNJFMGF-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000882821235 652229489 /nfs/dbraw/zinc/22/94/89/652229489.db2.gz PAMTYMZQEVHYMH-LBPRGKRZSA-N 1 0 299.334 2.100 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000882958690 652288498 /nfs/dbraw/zinc/28/84/98/652288498.db2.gz HVPZPTSJVMUXSQ-GFCCVEGCSA-N 1 0 286.335 2.071 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000882959026 652289971 /nfs/dbraw/zinc/28/99/71/652289971.db2.gz SAKPUZQSKCAQLA-NSHDSACASA-N 1 0 294.355 2.283 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000882959885 652291018 /nfs/dbraw/zinc/29/10/18/652291018.db2.gz SOYAFKZPNFCWRZ-SNVBAGLBSA-N 1 0 265.313 2.110 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)C1CC1 ZINC000883001922 652317515 /nfs/dbraw/zinc/31/75/15/652317515.db2.gz RNLAJGPIDYJOOI-ZDUSSCGKSA-N 1 0 264.325 2.072 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000884044899 652655352 /nfs/dbraw/zinc/65/53/52/652655352.db2.gz ZPPPWVWEHMJHID-ZDUSSCGKSA-N 1 0 279.340 2.476 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000264489791 721853122 /nfs/dbraw/zinc/85/31/22/721853122.db2.gz SEODSUPTNWHVLV-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C[N@@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226908402 805789701 /nfs/dbraw/zinc/78/97/01/805789701.db2.gz GSMFCSYITYOIGR-ZETCQYMHSA-N 1 0 274.679 2.470 20 5 CEBDRO Cc1ccc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222494 805882939 /nfs/dbraw/zinc/88/29/39/805882939.db2.gz PGLMIYVDNPJFGK-LLVKDONJSA-N 1 0 265.313 2.160 20 5 CEBDRO CC1(Nc2c(Cl)nccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168183767 806381482 /nfs/dbraw/zinc/38/14/82/806381482.db2.gz LTGYTUNWUQLUJG-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO CCOC(=O)[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224619598 806868973 /nfs/dbraw/zinc/86/89/73/806868973.db2.gz PXHVYFJRCHWORD-HNNXBMFYSA-N 1 0 280.388 2.404 20 5 CEBDRO CCCCOC[C@H](C)OC[C@@H](C)OCC[N+](C)(C)C ZINC001224772833 806948634 /nfs/dbraw/zinc/94/86/34/806948634.db2.gz BVVRROQTEMMBDC-LSDHHAIUSA-N 1 0 276.441 2.320 20 5 CEBDRO CO[C@@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000724122321 803048275 /nfs/dbraw/zinc/04/82/75/803048275.db2.gz RYVSIJFUDIKYTF-CHWSQXEVSA-N 1 0 268.288 2.343 20 5 CEBDRO CCCC(=O)NCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001267234850 803267647 /nfs/dbraw/zinc/26/76/47/803267647.db2.gz QJMIDJCHOJQKEG-UHFFFAOYSA-N 1 0 293.367 2.333 20 5 CEBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218385595 803595004 /nfs/dbraw/zinc/59/50/04/803595004.db2.gz ICFNTNMFSYDAET-ZANVPECISA-N 1 0 258.277 2.487 20 5 CEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225633079 805049808 /nfs/dbraw/zinc/04/98/08/805049808.db2.gz PSYFFDWUDMPKPS-UMSPYCQHSA-N 1 0 265.313 2.241 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000157011846 807053760 /nfs/dbraw/zinc/05/37/60/807053760.db2.gz NEPAVIGRRHTAIE-ZDUSSCGKSA-N 1 0 282.315 2.471 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cs1 ZINC000688283884 805563758 /nfs/dbraw/zinc/56/37/58/805563758.db2.gz SQWZKUFKPDOVJE-JTQLQIEISA-N 1 0 268.338 2.458 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000699837050 807865082 /nfs/dbraw/zinc/86/50/82/807865082.db2.gz OAFXLSCSJVUJHP-KWBADKCTSA-N 1 0 250.298 2.280 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000716907571 815158768 /nfs/dbraw/zinc/15/87/68/815158768.db2.gz HLUNYIASPAOPTF-CMPLNLGQSA-N 1 0 252.314 2.234 20 5 CEBDRO O=[N+]([O-])c1ccsc1N[C@H]1C[NH+]2CCC1CC2 ZINC001120891302 815291466 /nfs/dbraw/zinc/29/14/66/815291466.db2.gz YIWDVQQTQNPPLQ-VIFPVBQESA-N 1 0 253.327 2.162 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702038627 809489422 /nfs/dbraw/zinc/48/94/22/809489422.db2.gz JRWJEYFWFKGJDS-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1[NH3+] ZINC000702066239 809491783 /nfs/dbraw/zinc/49/17/83/809491783.db2.gz QRIGXZBLYRBBTP-GZMMTYOYSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034572428 809631356 /nfs/dbraw/zinc/63/13/56/809631356.db2.gz PTKGDHPJTPNAEB-HDJSIYSDSA-N 1 0 291.351 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711703225 810093232 /nfs/dbraw/zinc/09/32/32/810093232.db2.gz PRZDXUXSIWSNMX-RISCZKNCSA-N 1 0 262.309 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@]13CCOC3)CC2 ZINC001119434931 810474942 /nfs/dbraw/zinc/47/49/42/810474942.db2.gz JERXHFZQXWWOKR-ZBFHGGJFSA-N 1 0 288.347 2.380 20 5 CEBDRO Cc1ccc(CNC(=O)C[C@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC001122108348 815385111 /nfs/dbraw/zinc/38/51/11/815385111.db2.gz OTXXPNYTJDLXFA-ZDUSSCGKSA-N 1 0 293.367 2.283 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712338253 811198212 /nfs/dbraw/zinc/19/82/12/811198212.db2.gz URBQEPJIURSOIJ-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCCc2ccccn2)C1 ZINC001168977430 811307384 /nfs/dbraw/zinc/30/73/84/811307384.db2.gz JSGOSEVQUYTOFF-DZGCQCFKSA-N 1 0 277.368 2.439 20 5 CEBDRO Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168977738 811307519 /nfs/dbraw/zinc/30/75/19/811307519.db2.gz LNXRVDRWPKYPJT-CABCVRRESA-N 1 0 277.368 2.358 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168980609 811308304 /nfs/dbraw/zinc/30/83/04/811308304.db2.gz DZEXJRKGHZQWBZ-AAVRWANBSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)nc1 ZINC001168978627 811309042 /nfs/dbraw/zinc/30/90/42/811309042.db2.gz TVCVTRUFAHJVOM-XQQFMLRXSA-N 1 0 263.341 2.486 20 5 CEBDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1OC ZINC001168958524 811312642 /nfs/dbraw/zinc/31/26/42/811312642.db2.gz NUHPMXXFYZFUAO-WCQYABFASA-N 1 0 294.351 2.239 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001168959419 811313940 /nfs/dbraw/zinc/31/39/40/811313940.db2.gz VVPFKJJJQXILNE-SMDDNHRTSA-N 1 0 260.337 2.189 20 5 CEBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964759 811316594 /nfs/dbraw/zinc/31/65/94/811316594.db2.gz VXOQNVFQRHTPLA-SUNKGSAMSA-N 1 0 289.335 2.023 20 5 CEBDRO Cc1cccc2ncc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)n21 ZINC001168964688 811316894 /nfs/dbraw/zinc/31/68/94/811316894.db2.gz VGZNOEYIWHMCGC-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1ccn2c(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cnc2c1 ZINC001168964999 811317337 /nfs/dbraw/zinc/31/73/37/811317337.db2.gz XBILMAIFISXFPT-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cnc12 ZINC001168963929 811317376 /nfs/dbraw/zinc/31/73/76/811317376.db2.gz QQEKIDHAVVJMIC-OLZOCXBDSA-N 1 0 288.351 2.178 20 5 CEBDRO CCCN(CCC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965637 811317469 /nfs/dbraw/zinc/31/74/69/811317469.db2.gz BKUCHYGECGZKDT-KBPBESRZSA-N 1 0 271.405 2.143 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC001168966358 811318633 /nfs/dbraw/zinc/31/86/33/811318633.db2.gz IGZLAZBXNMXOPV-RYUDHWBXSA-N 1 0 282.315 2.240 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncccc2Cl)C1 ZINC001168969051 811320516 /nfs/dbraw/zinc/32/05/16/811320516.db2.gz BSGBNKCTSWSUAE-NXEZZACHSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)C1 ZINC001168994616 811324900 /nfs/dbraw/zinc/32/49/00/811324900.db2.gz QKMJNTHILJAWBI-HOCLYGCPSA-N 1 0 295.427 2.286 20 5 CEBDRO NC(=[NH2+])N(c1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997773 811326181 /nfs/dbraw/zinc/32/61/81/811326181.db2.gz FQZKWXAQGZSLOE-JOYOIKCWSA-N 1 0 296.758 2.485 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001169003599 811331298 /nfs/dbraw/zinc/33/12/98/811331298.db2.gz ONGCUZCQZASSLM-NWANDNLSSA-N 1 0 278.352 2.145 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C1 ZINC001169013697 811336184 /nfs/dbraw/zinc/33/61/84/811336184.db2.gz VYONJHASPFTDHL-WISYIIOYSA-N 1 0 274.311 2.409 20 5 CEBDRO CCOC(=O)CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013741 811336669 /nfs/dbraw/zinc/33/66/69/811336669.db2.gz WDYQAKJFKMDZMD-KBPBESRZSA-N 1 0 298.383 2.097 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168986812 811336839 /nfs/dbraw/zinc/33/68/39/811336839.db2.gz ZSMMOTCANNGOEQ-RYUDHWBXSA-N 1 0 263.341 2.352 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(F)F)C2)C1 ZINC001169033184 811344088 /nfs/dbraw/zinc/34/40/88/811344088.db2.gz BGWPYYUMUVCNSP-MXWKQRLJSA-N 1 0 262.300 2.409 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169029881 811344579 /nfs/dbraw/zinc/34/45/79/811344579.db2.gz WXXVFAUYGRNLKU-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CCOCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036381 811346779 /nfs/dbraw/zinc/34/67/79/811346779.db2.gz FRUCTIUWSKQPLR-KBPBESRZSA-N 1 0 270.373 2.180 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)C1 ZINC001169039984 811348398 /nfs/dbraw/zinc/34/83/98/811348398.db2.gz WORNROXKXDEUQZ-UONOGXRCSA-N 1 0 282.384 2.467 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2CN2CCCC2)C1 ZINC001169023808 811354585 /nfs/dbraw/zinc/35/45/85/811354585.db2.gz FJIVZHMCZAYNSQ-PMPSAXMXSA-N 1 0 295.427 2.382 20 5 CEBDRO Cc1cnc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048892 811356887 /nfs/dbraw/zinc/35/68/87/811356887.db2.gz VOFZMUNKLSWYRX-TZMCWYRMSA-N 1 0 275.352 2.194 20 5 CEBDRO CN(c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170052247 812007226 /nfs/dbraw/zinc/00/72/26/812007226.db2.gz CERZPLLGDLWXAY-UHFFFAOYSA-N 1 0 299.762 2.089 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@]2(C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170310447 812383872 /nfs/dbraw/zinc/38/38/72/812383872.db2.gz WFPDXXIWWVNQGS-WBIUFABUSA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@]2(C)CCOC2)c([N+](=O)[O-])c1 ZINC001170327410 812387223 /nfs/dbraw/zinc/38/72/23/812387223.db2.gz QQQDPRYISOWRMQ-ABAIWWIYSA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170347966 812399033 /nfs/dbraw/zinc/39/90/33/812399033.db2.gz UBMKMNDVIIKOMG-AAEUAGOBSA-N 1 0 294.351 2.255 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)nc1Cl ZINC001157739311 812419493 /nfs/dbraw/zinc/41/94/93/812419493.db2.gz CBMODPUTQJBCSY-DTWKUNHWSA-N 1 0 284.747 2.268 20 5 CEBDRO [NH3+]Cc1cn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897022 815538828 /nfs/dbraw/zinc/53/88/28/815538828.db2.gz WMYGWUMTSRHCLS-CQSZACIVSA-N 1 0 286.335 2.370 20 5 CEBDRO C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001172902765 815541033 /nfs/dbraw/zinc/54/10/33/815541033.db2.gz CMGIQTXCMCVHDY-PJODQICGSA-N 1 0 290.363 2.155 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158175064 812619680 /nfs/dbraw/zinc/61/96/80/812619680.db2.gz BJCSUFLPFRBZCR-IUCAKERBSA-N 1 0 284.747 2.138 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@@H](O)C1)CC2 ZINC001172896622 815543090 /nfs/dbraw/zinc/54/30/90/815543090.db2.gz PUYFUNATCKEWCT-IJEWVQPXSA-N 1 0 290.363 2.345 20 5 CEBDRO [NH3+]Cc1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC001160397282 813863937 /nfs/dbraw/zinc/86/39/37/813863937.db2.gz UHYRRLUCIOYLIZ-UHFFFAOYSA-N 1 0 279.687 2.241 20 5 CEBDRO [NH3+]CCc1cc2ccccc2n1-c1cccnc1[N+](=O)[O-] ZINC001171304452 814444602 /nfs/dbraw/zinc/44/46/02/814444602.db2.gz KTSSFKKZITVDSI-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO CCC(=O)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185516 815616866 /nfs/dbraw/zinc/61/68/66/815616866.db2.gz ZSGDLQLVFFVSAH-SECBINFHSA-N 1 0 298.314 2.242 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-n2cc3ccc(C[NH3+])cc3n2)n1 ZINC001171325172 814546218 /nfs/dbraw/zinc/54/62/18/814546218.db2.gz XFWBRWIOKAGJHR-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CC(C)(CCC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1)[N+](=O)[O-] ZINC001124023188 815588034 /nfs/dbraw/zinc/58/80/34/815588034.db2.gz JOOIGQQUGQZSDF-UHFFFAOYSA-N 1 0 299.415 2.201 20 5 CEBDRO [NH3+]CCCN(Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000714339832 814895870 /nfs/dbraw/zinc/89/58/70/814895870.db2.gz VWEMTOIOALPCNI-UHFFFAOYSA-N 1 0 291.273 2.308 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1CC[NH2+]C2 ZINC001173222034 815625921 /nfs/dbraw/zinc/62/59/21/815625921.db2.gz OPLACNWKAWBUBN-NSHDSACASA-N 1 0 286.335 2.241 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001173220726 815626420 /nfs/dbraw/zinc/62/64/20/815626420.db2.gz BXMLUBZNBXVQSY-KCPJHIHWSA-N 1 0 296.342 2.321 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH+](C)C ZINC001173230011 815630617 /nfs/dbraw/zinc/63/06/17/815630617.db2.gz WZWZJIOHHDOEHL-CYBMUJFWSA-N 1 0 279.384 2.409 20 5 CEBDRO CC[N@H+](CCN(C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229259 815630991 /nfs/dbraw/zinc/63/09/91/815630991.db2.gz SDBSNKTUWMZIHH-CYBMUJFWSA-N 1 0 279.384 2.409 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1COC1 ZINC001173232082 815632103 /nfs/dbraw/zinc/63/21/03/815632103.db2.gz CRGBEXUZSKJRJI-NSHDSACASA-N 1 0 264.325 2.152 20 5 CEBDRO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173233552 815632302 /nfs/dbraw/zinc/63/23/02/815632302.db2.gz JOEMCYNQEQUMFI-RISCZKNCSA-N 1 0 293.367 2.015 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232501 815632595 /nfs/dbraw/zinc/63/25/95/815632595.db2.gz BUXFNGDLZUDCTL-FZMZJTMJSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C(F)(F)F ZINC001173234557 815634566 /nfs/dbraw/zinc/63/45/66/815634566.db2.gz PJYSDMSVSBPEEE-KWQFWETISA-N 1 0 292.257 2.039 20 5 CEBDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211143 815635408 /nfs/dbraw/zinc/63/54/08/815635408.db2.gz PVJZSZUNFDHXBM-GFCCVEGCSA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCC1 ZINC001173212500 815635626 /nfs/dbraw/zinc/63/56/26/815635626.db2.gz ADPKLNULPYBDHP-LBPRGKRZSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1C[NH3+] ZINC001173212194 815635641 /nfs/dbraw/zinc/63/56/41/815635641.db2.gz XBFXUTWUKJVAKC-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212991 815635673 /nfs/dbraw/zinc/63/56/73/815635673.db2.gz DZXOJLHQBVMCEI-LLVKDONJSA-N 1 0 294.351 2.315 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnnc1 ZINC001173213915 815636585 /nfs/dbraw/zinc/63/65/85/815636585.db2.gz LYGDUVQPHLAJJX-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1N(C)c1cc(N)cc[nH+]1 ZINC001249544622 816365147 /nfs/dbraw/zinc/36/51/47/816365147.db2.gz AFLISECDDXWRMK-UHFFFAOYSA-N 1 0 259.269 2.043 20 5 CEBDRO CC[N@H+](C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001177043921 816511545 /nfs/dbraw/zinc/51/15/45/816511545.db2.gz HTACFAGYDWPLGT-CQSZACIVSA-N 1 0 263.341 2.121 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000269208585 190477032 /nfs/dbraw/zinc/47/70/32/190477032.db2.gz MSHRVAKBURJKOF-PRHODGIISA-N 1 0 297.742 2.058 20 5 CEBDRO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000033394639 361777703 /nfs/dbraw/zinc/77/77/03/361777703.db2.gz QEQDDDFQZYWKCB-ALCCZGGFSA-N 1 0 264.325 2.312 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125017801 187165960 /nfs/dbraw/zinc/16/59/60/187165960.db2.gz OEUWBGSWEKJGEB-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000294964253 199272759 /nfs/dbraw/zinc/27/27/59/199272759.db2.gz CREYTSYKUBHDTD-VIFPVBQESA-N 1 0 299.758 2.253 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000601325007 346821113 /nfs/dbraw/zinc/82/11/13/346821113.db2.gz WBARULGZZBQINE-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325234 346821274 /nfs/dbraw/zinc/82/12/74/346821274.db2.gz AXAHUXNVVKOFLS-DGCLKSJQSA-N 1 0 293.367 2.020 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000037655340 361920111 /nfs/dbraw/zinc/92/01/11/361920111.db2.gz KMPGFMONMVKKHS-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040778619 361998546 /nfs/dbraw/zinc/99/85/46/361998546.db2.gz GWTUDYYJIURATC-GFCCVEGCSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000449260808 282161851 /nfs/dbraw/zinc/16/18/51/282161851.db2.gz XYPKLUDHUATQNB-SWHYSGLUSA-N 1 0 278.352 2.275 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000080646303 344018495 /nfs/dbraw/zinc/01/84/95/344018495.db2.gz HQGZDRHEWFMBEB-GFCCVEGCSA-N 1 0 293.367 2.283 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000080685482 344020265 /nfs/dbraw/zinc/02/02/65/344020265.db2.gz XRDLJLHILPCDFZ-UHFFFAOYSA-N 1 0 289.282 2.194 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041066845 362015647 /nfs/dbraw/zinc/01/56/47/362015647.db2.gz LSGHIQSXLDZCTK-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000041119372 362019628 /nfs/dbraw/zinc/01/96/28/362019628.db2.gz GMWYRGQIGRAYPN-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1[N+](=O)[O-] ZINC000126525020 187246190 /nfs/dbraw/zinc/24/61/90/187246190.db2.gz DTZHBSRLRJOFPV-LBPRGKRZSA-N 1 0 289.339 2.236 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000031825684 343410175 /nfs/dbraw/zinc/41/01/75/343410175.db2.gz KZLIQWNKMBMXKE-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO CC(C)[NH2+]CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766561 343431085 /nfs/dbraw/zinc/43/10/85/343431085.db2.gz YSBCHRPZFRWSJT-LLVKDONJSA-N 1 0 279.340 2.160 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000045142561 343481644 /nfs/dbraw/zinc/48/16/44/343481644.db2.gz AEAUZQZVSODSEI-UHFFFAOYSA-N 1 0 297.380 2.179 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(OCC2CC[NH2+]CC2)c1 ZINC000043497980 343464475 /nfs/dbraw/zinc/46/44/75/343464475.db2.gz WSVJOXKHGVKNRR-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000047687336 343520892 /nfs/dbraw/zinc/52/08/92/343520892.db2.gz LQRPSJIJQZGRFX-CYBMUJFWSA-N 1 0 264.325 2.453 20 5 CEBDRO CC(C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378457 343735611 /nfs/dbraw/zinc/73/56/11/343735611.db2.gz FOHAPBASSQFBPF-AWEZNQCLSA-N 1 0 291.351 2.288 20 5 CEBDRO Cc1cc(N(C)C)nc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000067383889 343735636 /nfs/dbraw/zinc/73/56/36/343735636.db2.gz DIWIRKXXQXJBQO-UHFFFAOYSA-N 1 0 287.323 2.371 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000602030295 346965082 /nfs/dbraw/zinc/96/50/82/346965082.db2.gz LCDBPLNRRPVZHO-SNVBAGLBSA-N 1 0 265.313 2.100 20 5 CEBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000602175540 346988236 /nfs/dbraw/zinc/98/82/36/346988236.db2.gz YQDALZMHBVAMFX-AOOOYVTPSA-N 1 0 295.364 2.013 20 5 CEBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698176 343809162 /nfs/dbraw/zinc/80/91/62/343809162.db2.gz YVXCGURODNBGFH-ZWNOBZJWSA-N 1 0 291.351 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)nc1 ZINC000072751768 343809838 /nfs/dbraw/zinc/80/98/38/343809838.db2.gz PFTFUHLCUPLFNK-UHFFFAOYSA-N 1 0 264.329 2.278 20 5 CEBDRO CC1(C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076014253 343876361 /nfs/dbraw/zinc/87/63/61/343876361.db2.gz IHWLQINQSUFYJU-CYBMUJFWSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000174879161 529936464 /nfs/dbraw/zinc/93/64/64/529936464.db2.gz RZXXGTYSFJVHMH-UHFFFAOYSA-N 1 0 280.353 2.027 20 5 CEBDRO CC1(C)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000077382878 343918249 /nfs/dbraw/zinc/91/82/49/343918249.db2.gz SYUHLBZEVXVQAA-CYBMUJFWSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000078394051 343950709 /nfs/dbraw/zinc/95/07/09/343950709.db2.gz FHNZAFSSAYBFEN-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000078454965 343953544 /nfs/dbraw/zinc/95/35/44/343953544.db2.gz ODEOJCIZIGIPPY-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078563447 343957009 /nfs/dbraw/zinc/95/70/09/343957009.db2.gz WLHMSUOSVRQXHJ-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078801314 343963843 /nfs/dbraw/zinc/96/38/43/343963843.db2.gz WMWKKHKVEFZNFH-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057173 344135142 /nfs/dbraw/zinc/13/51/42/344135142.db2.gz SQEMDSDVBWQJEQ-NHYWBVRUSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1 ZINC000090773924 344143781 /nfs/dbraw/zinc/14/37/81/344143781.db2.gz XOYDETLTACRCQQ-DGCLKSJQSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093481337 344224798 /nfs/dbraw/zinc/22/47/98/344224798.db2.gz NWBMVMNGTPANHM-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO CC(C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602456646 347041471 /nfs/dbraw/zinc/04/14/71/347041471.db2.gz BQCUDWPJXQPZFJ-ZDUSSCGKSA-N 1 0 293.367 2.017 20 5 CEBDRO CCCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000049800151 362375318 /nfs/dbraw/zinc/37/53/18/362375318.db2.gz XQIFNIYSEHLHOL-UHFFFAOYSA-N 1 0 252.314 2.189 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128419572 344336734 /nfs/dbraw/zinc/33/67/34/344336734.db2.gz KUAZAVSLAYUZOJ-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129255365 344342393 /nfs/dbraw/zinc/34/23/93/344342393.db2.gz NGFAPWYTAWNNEB-LDYMZIIASA-N 1 0 297.742 2.200 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1OCc1nc(C(C)(C)[NH3+])no1 ZINC000123122544 344309307 /nfs/dbraw/zinc/30/93/07/344309307.db2.gz VJBNQYSEJHDASR-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000050163156 362407234 /nfs/dbraw/zinc/40/72/34/362407234.db2.gz FDLLNFTZKBIXEQ-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000226380290 344549636 /nfs/dbraw/zinc/54/96/36/344549636.db2.gz OOOVSFLEQPJWKQ-NSHDSACASA-N 1 0 282.365 2.316 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000052103089 362466263 /nfs/dbraw/zinc/46/62/63/362466263.db2.gz UCRQVLZADSOMSB-LBPRGKRZSA-N 1 0 280.324 2.214 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053437066 362493496 /nfs/dbraw/zinc/49/34/96/362493496.db2.gz AKIJKWPJYVTEOQ-CQSZACIVSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000053204572 362488131 /nfs/dbraw/zinc/48/81/31/362488131.db2.gz PLFQAMNQQWVQJF-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO CC1(C)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602529948 347067867 /nfs/dbraw/zinc/06/78/67/347067867.db2.gz QZQUFKCHWXAGGE-CYBMUJFWSA-N 1 0 290.367 2.347 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000602552571 347074141 /nfs/dbraw/zinc/07/41/41/347074141.db2.gz RZDGWRFPVGRNMP-UHFFFAOYSA-N 1 0 286.335 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCSC3)nc2c1 ZINC000602563831 347079532 /nfs/dbraw/zinc/07/95/32/347079532.db2.gz PAJGRXXKRZECMN-QMMMGPOBSA-N 1 0 279.321 2.331 20 5 CEBDRO CCC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401203285 344867007 /nfs/dbraw/zinc/86/70/07/344867007.db2.gz HBKBRPRKENNZJS-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000407303495 344885989 /nfs/dbraw/zinc/88/59/89/344885989.db2.gz CFUMVXYCGFAQDC-OLZOCXBDSA-N 1 0 289.335 2.372 20 5 CEBDRO C[NH+](C)CCN(c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000585701963 345010978 /nfs/dbraw/zinc/01/09/78/345010978.db2.gz GPOGTGKQXZSEIT-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744292 344982661 /nfs/dbraw/zinc/98/26/61/344982661.db2.gz UTUPPIFWPRDIGJ-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071831 345037648 /nfs/dbraw/zinc/03/76/48/345037648.db2.gz CWJSBEJBSXFIMO-NEPJUHHUSA-N 1 0 276.340 2.053 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000588828447 345056638 /nfs/dbraw/zinc/05/66/38/345056638.db2.gz GPECSFGRUJTFHM-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000590703946 345164488 /nfs/dbraw/zinc/16/44/88/345164488.db2.gz HADDGOBRWIYTRN-NSHDSACASA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590404176 345133903 /nfs/dbraw/zinc/13/39/03/345133903.db2.gz VVMBGESAOIFYTM-SMDDNHRTSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590566677 345145710 /nfs/dbraw/zinc/14/57/10/345145710.db2.gz PCFMQTSKGSSLBG-RYUDHWBXSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000590567104 345145755 /nfs/dbraw/zinc/14/57/55/345145755.db2.gz WTQNHAFFTFXIKO-BXUZGUMPSA-N 1 0 291.351 2.068 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591148404 345225002 /nfs/dbraw/zinc/22/50/02/345225002.db2.gz OOHXXPUTARSWTC-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000591147561 345225165 /nfs/dbraw/zinc/22/51/65/345225165.db2.gz GRYZBLOFEWGYLC-VIFPVBQESA-N 1 0 282.319 2.271 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000591442171 345255712 /nfs/dbraw/zinc/25/57/12/345255712.db2.gz LOARYVMINGKQSN-CYBMUJFWSA-N 1 0 267.304 2.041 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH2+]C1CC1 ZINC000591288579 345237846 /nfs/dbraw/zinc/23/78/46/345237846.db2.gz HHWAHEVPDVNRQL-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591446405 345256877 /nfs/dbraw/zinc/25/68/77/345256877.db2.gz RQGDTAWHZSCOEQ-JOYOIKCWSA-N 1 0 286.335 2.235 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591448918 345257136 /nfs/dbraw/zinc/25/71/36/345257136.db2.gz QCRJLPUBRYTFQM-ZWNOBZJWSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591428408 345251357 /nfs/dbraw/zinc/25/13/57/345251357.db2.gz BJPPVIPLWBLMHP-ZWNOBZJWSA-N 1 0 286.335 2.317 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCCC[NH2+]1 ZINC000591430006 345251877 /nfs/dbraw/zinc/25/18/77/345251877.db2.gz OJFHKQXKKLPBRV-GFCCVEGCSA-N 1 0 286.335 2.119 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437708 345254322 /nfs/dbraw/zinc/25/43/22/345254322.db2.gz JCKOFIDQCKLARH-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ncccc12 ZINC000591439582 345254969 /nfs/dbraw/zinc/25/49/69/345254969.db2.gz WLSGANXUHJBRHL-AAEUAGOBSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591440635 345255089 /nfs/dbraw/zinc/25/50/89/345255089.db2.gz AZHANZCXTMQLLQ-AWEZNQCLSA-N 1 0 261.325 2.175 20 5 CEBDRO CC[C@@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577299 345265911 /nfs/dbraw/zinc/26/59/11/345265911.db2.gz NKBQLLOTEANDPR-CQSZACIVSA-N 1 0 263.341 2.388 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3C[C@H]3C1)OCCO2 ZINC000591645608 345271610 /nfs/dbraw/zinc/27/16/10/345271610.db2.gz RHGSMVDVRKBLKU-PEGIJTEDSA-N 1 0 290.319 2.254 20 5 CEBDRO CC[C@@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000591741055 345276812 /nfs/dbraw/zinc/27/68/12/345276812.db2.gz NWPYNBMMUINTCY-CQSZACIVSA-N 1 0 266.341 2.278 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000591757332 345277860 /nfs/dbraw/zinc/27/78/60/345277860.db2.gz OCTJTYAEBPYWFG-AAEUAGOBSA-N 1 0 294.351 2.113 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000592375778 345347431 /nfs/dbraw/zinc/34/74/31/345347431.db2.gz ZSUKGBFLFLITKS-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000592374716 345347516 /nfs/dbraw/zinc/34/75/16/345347516.db2.gz GYVWVTIMGJUYEM-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592432283 345352809 /nfs/dbraw/zinc/35/28/09/345352809.db2.gz ALEMPILUMWHOQC-ZIAGYGMSSA-N 1 0 275.352 2.087 20 5 CEBDRO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489424 345359403 /nfs/dbraw/zinc/35/94/03/345359403.db2.gz VKNYNMWFGGMIMK-GWCFXTLKSA-N 1 0 281.331 2.293 20 5 CEBDRO C[NH+](C)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000097927760 232188595 /nfs/dbraw/zinc/18/85/95/232188595.db2.gz OJZTUSXLMGWIPK-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1cc(NCC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000097934234 232189156 /nfs/dbraw/zinc/18/91/56/232189156.db2.gz UPYLDXBVFKWYPB-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593187904 345451407 /nfs/dbraw/zinc/45/14/07/345451407.db2.gz VVZYKIXEYKIBNQ-BBBLOLIVSA-N 1 0 297.380 2.209 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(CSCC[NH+](C)C)c1 ZINC000593422909 345482321 /nfs/dbraw/zinc/48/23/21/345482321.db2.gz OGDBZAVHZZBHRH-UHFFFAOYSA-N 1 0 298.364 2.176 20 5 CEBDRO O=C(NCCC1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000593758571 345533815 /nfs/dbraw/zinc/53/38/15/345533815.db2.gz LLGYQKIYCBTFTA-UHFFFAOYSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CC[NH2+]CC1 ZINC000593919627 345552521 /nfs/dbraw/zinc/55/25/21/345552521.db2.gz VOLIVUXTMVVAEX-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000594427957 345627452 /nfs/dbraw/zinc/62/74/52/345627452.db2.gz YNGLEBCLKPACTQ-DOMZBBRYSA-N 1 0 289.335 2.231 20 5 CEBDRO CC(C)(CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503427 345639609 /nfs/dbraw/zinc/63/96/09/345639609.db2.gz VXHUUKJGBBQSHW-LBPRGKRZSA-N 1 0 264.325 2.190 20 5 CEBDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594511010 345640619 /nfs/dbraw/zinc/64/06/19/345640619.db2.gz QFVFHRCYHXAYQC-OAHLLOKOSA-N 1 0 296.367 2.205 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000594591229 345653152 /nfs/dbraw/zinc/65/31/52/345653152.db2.gz IJGFUEKWJCGJHO-DTORHVGOSA-N 1 0 295.368 2.056 20 5 CEBDRO C[C@H](CNCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000057994221 362603796 /nfs/dbraw/zinc/60/37/96/362603796.db2.gz ILUDLGAYOXXGJH-CYBMUJFWSA-N 1 0 277.368 2.416 20 5 CEBDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000594710221 345676485 /nfs/dbraw/zinc/67/64/85/345676485.db2.gz JPJDYZUKCUKTMT-FZMZJTMJSA-N 1 0 282.340 2.297 20 5 CEBDRO [NH3+]C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000595254345 345748973 /nfs/dbraw/zinc/74/89/73/345748973.db2.gz MWSZXOCTBQEDKC-UHFFFAOYSA-N 1 0 275.308 2.195 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594918552 345701382 /nfs/dbraw/zinc/70/13/82/345701382.db2.gz BUJKHVRLNZTGBB-TZMCWYRMSA-N 1 0 264.325 2.294 20 5 CEBDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594925884 345704911 /nfs/dbraw/zinc/70/49/11/345704911.db2.gz PNOWSZLTUFWCFW-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c(F)c1 ZINC000594971253 345719648 /nfs/dbraw/zinc/71/96/48/345719648.db2.gz YJTJUPQEHPPBQF-NSHDSACASA-N 1 0 290.241 2.248 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCC[C@@H]31)OCCO2 ZINC000594985231 345722040 /nfs/dbraw/zinc/72/20/40/345722040.db2.gz ULMMXXCCNUWFCB-QHBPRCKVSA-N 1 0 290.319 2.254 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)[NH+](C)C ZINC000595012077 345726760 /nfs/dbraw/zinc/72/67/60/345726760.db2.gz NDBFUOSPMSIVEJ-WDEREUQCSA-N 1 0 281.356 2.204 20 5 CEBDRO COCC1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595030320 345730887 /nfs/dbraw/zinc/73/08/87/345730887.db2.gz QDYXOUVJESTFDM-SNVBAGLBSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000595034356 345732073 /nfs/dbraw/zinc/73/20/73/345732073.db2.gz WPLVMIYXJGRCFM-QCZZGDTMSA-N 1 0 294.351 2.413 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@H](C)O ZINC000595044935 345734196 /nfs/dbraw/zinc/73/41/96/345734196.db2.gz ALSOEMNLWKOBLK-WDEREUQCSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[NH+](C)C ZINC000595052725 345735404 /nfs/dbraw/zinc/73/54/04/345735404.db2.gz URHDSZXVGDXGIC-QWRGUYRKSA-N 1 0 281.356 2.204 20 5 CEBDRO COC(=O)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000595424522 345778869 /nfs/dbraw/zinc/77/88/69/345778869.db2.gz OCFRVCRCPMXPHE-UHFFFAOYSA-N 1 0 296.298 2.309 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595828425 345887396 /nfs/dbraw/zinc/88/73/96/345887396.db2.gz DSDULSNQQOUVNU-ZIAGYGMSSA-N 1 0 276.336 2.106 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595860124 345900112 /nfs/dbraw/zinc/90/01/12/345900112.db2.gz HILKIHIZHFFUNN-ABAIWWIYSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595872649 345902769 /nfs/dbraw/zinc/90/27/69/345902769.db2.gz KIXYMAZKDPLJLY-SMDDNHRTSA-N 1 0 264.325 2.045 20 5 CEBDRO Cc1c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875176 345903719 /nfs/dbraw/zinc/90/37/19/345903719.db2.gz PYVDYYQHMFDQOK-XHDPSFHLSA-N 1 0 278.352 2.354 20 5 CEBDRO CC12CC(C1)C[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595917597 345912566 /nfs/dbraw/zinc/91/25/66/345912566.db2.gz ZAAVOQUNCXTUOG-UHFFFAOYSA-N 1 0 262.309 2.458 20 5 CEBDRO C[NH2+]C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000595982694 345920719 /nfs/dbraw/zinc/92/07/19/345920719.db2.gz LWJURDOQEUZMFD-QMMMGPOBSA-N 1 0 293.348 2.147 20 5 CEBDRO CC[NH+](CC)CCSCc1onc(C)c1[N+](=O)[O-] ZINC000596021941 345924190 /nfs/dbraw/zinc/92/41/90/345924190.db2.gz PLFXEVHKRCVSSW-UHFFFAOYSA-N 1 0 273.358 2.466 20 5 CEBDRO COC1CC[NH+](CCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596159973 345955938 /nfs/dbraw/zinc/95/59/38/345955938.db2.gz UHSJAKGGTOBRBC-UHFFFAOYSA-N 1 0 299.396 2.487 20 5 CEBDRO CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596074368 345933412 /nfs/dbraw/zinc/93/34/12/345933412.db2.gz SDNQHMIHMPJUCT-JTQLQIEISA-N 1 0 298.774 2.351 20 5 CEBDRO C[NH+](C)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596079012 345934785 /nfs/dbraw/zinc/93/47/85/345934785.db2.gz HYWDGDZJDHTMQY-UHFFFAOYSA-N 1 0 284.747 2.174 20 5 CEBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000596237179 345976946 /nfs/dbraw/zinc/97/69/46/345976946.db2.gz AHTKWZNUDXYCGD-UHFFFAOYSA-N 1 0 294.330 2.051 20 5 CEBDRO C[N@@H+]1CCN(c2ccncc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251359 345981185 /nfs/dbraw/zinc/98/11/85/345981185.db2.gz RFGXGHXPHNCZLM-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@H](CCNc1nc2ccccc2cc1[N+](=O)[O-])[NH+](C)C ZINC000596428659 346020726 /nfs/dbraw/zinc/02/07/26/346020726.db2.gz GFIJMGMNSWLJCS-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596435028 346023432 /nfs/dbraw/zinc/02/34/32/346023432.db2.gz ZHHAIHIFQXMFIR-NSHDSACASA-N 1 0 266.345 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597071334 346123627 /nfs/dbraw/zinc/12/36/27/346123627.db2.gz USQNJXDHGDMGLA-DZGCQCFKSA-N 1 0 276.336 2.294 20 5 CEBDRO C[C@@H](O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597235304 346157228 /nfs/dbraw/zinc/15/72/28/346157228.db2.gz XSAAGPLCAIHRHO-VLWUPBBWSA-N 1 0 262.309 2.111 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597245283 346160277 /nfs/dbraw/zinc/16/02/77/346160277.db2.gz ZVWXAZJHFXDODF-INJBESJKSA-N 1 0 290.319 2.149 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085362719 179034009 /nfs/dbraw/zinc/03/40/09/179034009.db2.gz PNCNWMPDVDJHRT-NWDGAFQWSA-N 1 0 277.324 2.359 20 5 CEBDRO COCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598912240 346433426 /nfs/dbraw/zinc/43/34/26/346433426.db2.gz USTUBPYSLUGOKT-VIFPVBQESA-N 1 0 279.296 2.251 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915119 346433435 /nfs/dbraw/zinc/43/34/35/346433435.db2.gz IEUVEQIMXKWRDE-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915758 346433983 /nfs/dbraw/zinc/43/39/83/346433983.db2.gz OCULVUKLFLKHIA-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[NH2+]CC1 ZINC000598917040 346434016 /nfs/dbraw/zinc/43/40/16/346434016.db2.gz QZRQPGFWOKDGQE-UHFFFAOYSA-N 1 0 298.730 2.075 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915765 346434029 /nfs/dbraw/zinc/43/40/29/346434029.db2.gz OMEFMFGRDXGUON-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598986846 346441866 /nfs/dbraw/zinc/44/18/66/346441866.db2.gz FGBYQYDIOGVEJK-ABAIWWIYSA-N 1 0 292.335 2.261 20 5 CEBDRO CCn1nncc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598985385 346441994 /nfs/dbraw/zinc/44/19/94/346441994.db2.gz CUNVHWBFSNNKJB-FNORWQNLSA-N 1 0 287.323 2.009 20 5 CEBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000336790541 365812139 /nfs/dbraw/zinc/81/21/39/365812139.db2.gz LOWPCNWJVBGPCT-SNVBAGLBSA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000602599704 347094697 /nfs/dbraw/zinc/09/46/97/347094697.db2.gz QTWRBDZHMPKVCQ-HAQNSBGRSA-N 1 0 291.351 2.151 20 5 CEBDRO COC(=O)CCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000599412706 346514715 /nfs/dbraw/zinc/51/47/15/346514715.db2.gz NXCNEEBWKHTLGF-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571257 346539954 /nfs/dbraw/zinc/53/99/54/346539954.db2.gz AAKONCWICNBGEC-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO COc1cc(C[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])cc1F ZINC000599571563 346540087 /nfs/dbraw/zinc/54/00/87/346540087.db2.gz LRBGTMMACFMOTD-UHFFFAOYSA-N 1 0 298.314 2.211 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351748772 219194027 /nfs/dbraw/zinc/19/40/27/219194027.db2.gz KKAZOYNFPDDUFU-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600271922 346630190 /nfs/dbraw/zinc/63/01/90/346630190.db2.gz NCFJMMVFONQDMB-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601163348 346773811 /nfs/dbraw/zinc/77/38/11/346773811.db2.gz IHLGVWQQQOAUFR-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])n1 ZINC000602679909 347141071 /nfs/dbraw/zinc/14/10/71/347141071.db2.gz BHGNQNKANMWDQJ-ZDUSSCGKSA-N 1 0 296.396 2.047 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000602718833 347168309 /nfs/dbraw/zinc/16/83/09/347168309.db2.gz VKMPAZAZJGMEBH-AWEZNQCLSA-N 1 0 278.352 2.136 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602733943 347177433 /nfs/dbraw/zinc/17/74/33/347177433.db2.gz GLWJVFOAGZQBOG-KKZNHRDASA-N 1 0 291.307 2.392 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602742450 347182165 /nfs/dbraw/zinc/18/21/65/347182165.db2.gz YZVVUOVWNXCCBH-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603090526 347285410 /nfs/dbraw/zinc/28/54/10/347285410.db2.gz VKFVNSHTUYTKFP-MJVIPROJSA-N 1 0 262.309 2.031 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185627 347303301 /nfs/dbraw/zinc/30/33/01/347303301.db2.gz KSGYGBBUEZWXBA-ZJUUUORDSA-N 1 0 275.312 2.076 20 5 CEBDRO CC[C@@H]([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186107 347303327 /nfs/dbraw/zinc/30/33/27/347303327.db2.gz OXUOQBNPAZQHNR-JOYOIKCWSA-N 1 0 275.312 2.205 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000604304622 347408522 /nfs/dbraw/zinc/40/85/22/347408522.db2.gz UQIYVDVYPWKXIZ-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000603406593 347361597 /nfs/dbraw/zinc/36/15/97/347361597.db2.gz LIRMMOGKTWHPLZ-GHMZBOCLSA-N 1 0 268.292 2.024 20 5 CEBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000604409287 347414552 /nfs/dbraw/zinc/41/45/52/347414552.db2.gz PMLHCGFRPNBQQX-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000603866039 347393071 /nfs/dbraw/zinc/39/30/71/347393071.db2.gz HTHKZWXISUBFTG-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000611298931 347764736 /nfs/dbraw/zinc/76/47/36/347764736.db2.gz CAZDFYBRJCPPLG-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000611370853 347770546 /nfs/dbraw/zinc/77/05/46/347770546.db2.gz SEDKWCKSBLGGEL-DTWKUNHWSA-N 1 0 287.410 2.138 20 5 CEBDRO CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000611370864 347770800 /nfs/dbraw/zinc/77/08/00/347770800.db2.gz ZUQQJHQGQDERJA-UWVGGRQHSA-N 1 0 287.410 2.138 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C1CC1 ZINC000611785751 347817061 /nfs/dbraw/zinc/81/70/61/347817061.db2.gz ZAIRLHORKMPVFL-CYBMUJFWSA-N 1 0 284.743 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000611815433 347819221 /nfs/dbraw/zinc/81/92/21/347819221.db2.gz CVHRFCCKXLFSCY-UHFFFAOYSA-N 1 0 262.309 2.207 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000351943332 219256995 /nfs/dbraw/zinc/25/69/95/219256995.db2.gz GBPPCIBVZZVIGU-STQMWFEESA-N 1 0 277.368 2.162 20 5 CEBDRO Cc1c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000351952129 219263833 /nfs/dbraw/zinc/26/38/33/219263833.db2.gz RCRJLLUFIVRNPP-RYUDHWBXSA-N 1 0 277.368 2.428 20 5 CEBDRO COc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351971824 219271363 /nfs/dbraw/zinc/27/13/63/219271363.db2.gz XIOOWCXDVDMOSI-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC12CCOCC2 ZINC000618318238 348924540 /nfs/dbraw/zinc/92/45/40/348924540.db2.gz KFWWFGYNSXFEGZ-UHFFFAOYSA-N 1 0 292.335 2.229 20 5 CEBDRO COc1cc(C[N@@H+]2CCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000618318359 348924774 /nfs/dbraw/zinc/92/47/74/348924774.db2.gz UKYFXQGXZGCUDV-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO CSCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618561699 348975820 /nfs/dbraw/zinc/97/58/20/348975820.db2.gz OFVMACZHJLVTEZ-QWRGUYRKSA-N 1 0 284.385 2.228 20 5 CEBDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823351 349238264 /nfs/dbraw/zinc/23/82/64/349238264.db2.gz WDUKSQFVTLKCCC-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411874266 233295615 /nfs/dbraw/zinc/29/56/15/233295615.db2.gz ZNGIOOQSEAFZDZ-UHFFFAOYSA-N 1 0 296.396 2.153 20 5 CEBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290923354 197860297 /nfs/dbraw/zinc/86/02/97/197860297.db2.gz KWKNCHNLPAXISX-LLVKDONJSA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271311314 191065717 /nfs/dbraw/zinc/06/57/17/191065717.db2.gz MONYUXCJOSBTMT-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000412069617 233330100 /nfs/dbraw/zinc/33/01/00/233330100.db2.gz FVAOVTCWTNWAMS-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000092395194 180377063 /nfs/dbraw/zinc/37/70/63/180377063.db2.gz PBKKWKWSGVBPTJ-LBPRGKRZSA-N 1 0 252.314 2.010 20 5 CEBDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000130798761 365992219 /nfs/dbraw/zinc/99/22/19/365992219.db2.gz TVWWCKTWAGKDSX-JTQLQIEISA-N 1 0 250.298 2.160 20 5 CEBDRO Cn1cc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000111158524 186362504 /nfs/dbraw/zinc/36/25/04/186362504.db2.gz ONGMCHYHYAUVLE-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130996454 366012182 /nfs/dbraw/zinc/01/21/82/366012182.db2.gz SQQDQMJXTQYHOT-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO CC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000111384378 186410432 /nfs/dbraw/zinc/41/04/32/186410432.db2.gz QDSBEGWZVSQJKT-IZPAUZPXSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075498 363027400 /nfs/dbraw/zinc/02/74/00/363027400.db2.gz BYPAAYQPHJZATG-TUAOUCFPSA-N 1 0 263.341 2.338 20 5 CEBDRO C[NH2+]CCC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000070189266 363050686 /nfs/dbraw/zinc/05/06/86/363050686.db2.gz UWLVASIXSUBRGM-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000124253627 187128586 /nfs/dbraw/zinc/12/85/86/187128586.db2.gz KJFQJYYAOLNONU-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123837022 187111253 /nfs/dbraw/zinc/11/12/53/187111253.db2.gz UBOYMRMOSXSZST-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000072859368 363172974 /nfs/dbraw/zinc/17/29/74/363172974.db2.gz HJWTZLUMSHUMLT-NSHDSACASA-N 1 0 283.397 2.430 20 5 CEBDRO C[C@H]1CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569233294 299189322 /nfs/dbraw/zinc/18/93/22/299189322.db2.gz ZPVPCNCJIJIMPO-WDEREUQCSA-N 1 0 277.324 2.312 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135041 198177420 /nfs/dbraw/zinc/17/74/20/198177420.db2.gz LRBAVCNQKUYEGH-HNNXBMFYSA-N 1 0 275.352 2.122 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292210099 198203794 /nfs/dbraw/zinc/20/37/94/198203794.db2.gz TYBGSYFYCXSBHV-OAHLLOKOSA-N 1 0 293.342 2.262 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000153160673 188067903 /nfs/dbraw/zinc/06/79/03/188067903.db2.gz IBPICQGIIIDRHJ-GHMZBOCLSA-N 1 0 282.340 2.273 20 5 CEBDRO COCC[N@H+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153742550 188100502 /nfs/dbraw/zinc/10/05/02/188100502.db2.gz LRWUQZLHAGKTLL-HNNXBMFYSA-N 1 0 296.367 2.233 20 5 CEBDRO C[NH2+]C(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292551098 198329914 /nfs/dbraw/zinc/32/99/14/198329914.db2.gz IWRLRDKRSRLLNK-UHFFFAOYSA-N 1 0 255.293 2.452 20 5 CEBDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000157786886 188338173 /nfs/dbraw/zinc/33/81/73/188338173.db2.gz ULYSEGLMPSVCOW-HNNXBMFYSA-N 1 0 294.351 2.222 20 5 CEBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337241810 366100089 /nfs/dbraw/zinc/10/00/89/366100089.db2.gz GDZYHULMPZJMFX-LLVKDONJSA-N 1 0 277.324 2.265 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000271710169 191285395 /nfs/dbraw/zinc/28/53/95/191285395.db2.gz JKNHQQMMUJXDPO-XHDPSFHLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451239594 282934557 /nfs/dbraw/zinc/93/45/57/282934557.db2.gz WSHDXTWDODCSHM-GFCCVEGCSA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000160951565 188499620 /nfs/dbraw/zinc/49/96/20/188499620.db2.gz PNCKTUDMTVHRPX-LLVKDONJSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000132145574 366121167 /nfs/dbraw/zinc/12/11/67/366121167.db2.gz CXPRLYSSZRKQTH-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488704 283007309 /nfs/dbraw/zinc/00/73/09/283007309.db2.gz GOJAETCUZAOQRD-KGLIPLIRSA-N 1 0 294.351 2.377 20 5 CEBDRO COC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553191 283032104 /nfs/dbraw/zinc/03/21/04/283032104.db2.gz XUEZWOBYFSAOJZ-ZDUSSCGKSA-N 1 0 292.335 2.337 20 5 CEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000451595698 283045708 /nfs/dbraw/zinc/04/57/08/283045708.db2.gz KPJSYBJJDBIUCO-OLZOCXBDSA-N 1 0 292.335 2.416 20 5 CEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273558256 192204141 /nfs/dbraw/zinc/20/41/41/192204141.db2.gz BEMLIHGLOGWTEK-NSHDSACASA-N 1 0 293.371 2.307 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000364986286 283152192 /nfs/dbraw/zinc/15/21/92/283152192.db2.gz LCOAZHSTFGENBS-HZMBPMFUSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000273722352 192277908 /nfs/dbraw/zinc/27/79/08/192277908.db2.gz GVSZMWRBEFLNNG-LLVKDONJSA-N 1 0 279.344 2.061 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452069666 283176795 /nfs/dbraw/zinc/17/67/95/283176795.db2.gz QJJVSPVYBMPBLT-IJLUTSLNSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000338370788 366324013 /nfs/dbraw/zinc/32/40/13/366324013.db2.gz CNRGFQRILBMJCY-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134445401 366324789 /nfs/dbraw/zinc/32/47/89/366324789.db2.gz VWNLPHAPNLNJAQ-YPMHNXCESA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000134473199 366327945 /nfs/dbraw/zinc/32/79/45/366327945.db2.gz ZCLJVLVOOMHXNP-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000134442351 366323098 /nfs/dbraw/zinc/32/30/98/366323098.db2.gz DCAOETUCPDPHFW-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO C[C@H](O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338390984 366335494 /nfs/dbraw/zinc/33/54/94/366335494.db2.gz YYMKESNUBSRTSA-LBPRGKRZSA-N 1 0 266.341 2.230 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134695164 366351642 /nfs/dbraw/zinc/35/16/42/366351642.db2.gz MKLKMDICSJWSSV-LBPRGKRZSA-N 1 0 272.732 2.355 20 5 CEBDRO Cc1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000134592956 366343826 /nfs/dbraw/zinc/34/38/26/366343826.db2.gz MGXDYFCYBUVXKC-UHFFFAOYSA-N 1 0 293.367 2.298 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414524380 236398556 /nfs/dbraw/zinc/39/85/56/236398556.db2.gz ZLXXMWJWGNPWSP-WZRBSPASSA-N 1 0 264.325 2.498 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000340896652 215753294 /nfs/dbraw/zinc/75/32/94/215753294.db2.gz HNZYJQBMVOBZCO-LBPRGKRZSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135209019 366408583 /nfs/dbraw/zinc/40/85/83/366408583.db2.gz PRBANPQFMKZWBA-CMPLNLGQSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414940752 236565364 /nfs/dbraw/zinc/56/53/64/236565364.db2.gz XXIRPGJRCALYLL-TVQRCGJNSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC[NH2+]1 ZINC000136128625 366497381 /nfs/dbraw/zinc/49/73/81/366497381.db2.gz LZDXBSLCYDOSRE-ZDUSSCGKSA-N 1 0 263.297 2.066 20 5 CEBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000041152858 283408159 /nfs/dbraw/zinc/40/81/59/283408159.db2.gz ZFVIGHOLVDZRJE-UHFFFAOYSA-N 1 0 274.280 2.373 20 5 CEBDRO CCC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000296484616 199908764 /nfs/dbraw/zinc/90/87/64/199908764.db2.gz YNWJRHNYTRKIPY-UHFFFAOYSA-N 1 0 279.340 2.069 20 5 CEBDRO CC[C@H](COC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079741582 363626323 /nfs/dbraw/zinc/62/63/23/363626323.db2.gz MCRDTYSZOYSMBX-LLVKDONJSA-N 1 0 268.313 2.118 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296597340 199941804 /nfs/dbraw/zinc/94/18/04/199941804.db2.gz YFBDAVYCBLMVNH-WDEREUQCSA-N 1 0 279.340 2.160 20 5 CEBDRO CCn1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338955343 366588454 /nfs/dbraw/zinc/58/84/54/366588454.db2.gz UOLANVSRBWTFTA-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCOC1 ZINC000338955325 366588462 /nfs/dbraw/zinc/58/84/62/366588462.db2.gz MOCWYVVFHUTCNZ-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1O ZINC000579610974 366674115 /nfs/dbraw/zinc/67/41/15/366674115.db2.gz FSRNPUDSUQONJD-GZBFAFLISA-N 1 0 276.336 2.475 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000339116460 366659717 /nfs/dbraw/zinc/65/97/17/366659717.db2.gz MALINKGGXAZXBN-LLVKDONJSA-N 1 0 252.318 2.054 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298144639 200344091 /nfs/dbraw/zinc/34/40/91/200344091.db2.gz FTXURHAIIOPYDC-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000178188573 189096421 /nfs/dbraw/zinc/09/64/21/189096421.db2.gz JPGUKFBMFSRXEE-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000178226227 189099284 /nfs/dbraw/zinc/09/92/84/189099284.db2.gz WSXVMNAPEZGWJF-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178640629 189133451 /nfs/dbraw/zinc/13/34/51/189133451.db2.gz MBJGTWOKWZDBSC-QMMMGPOBSA-N 1 0 293.348 2.277 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(F)c3)CC2)n1 ZINC000179681866 189212934 /nfs/dbraw/zinc/21/29/34/189212934.db2.gz GPXUBQOYFJWELT-UHFFFAOYSA-N 1 0 290.298 2.209 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000180587824 189264096 /nfs/dbraw/zinc/26/40/96/189264096.db2.gz OIADAGNITYWMFU-UHFFFAOYSA-N 1 0 292.339 2.073 20 5 CEBDRO COc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301433207 201006962 /nfs/dbraw/zinc/00/69/62/201006962.db2.gz VZWJOCBOBWKQDS-ZDUSSCGKSA-N 1 0 291.351 2.278 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000301452935 201014893 /nfs/dbraw/zinc/01/48/93/201014893.db2.gz XZNDXZAFLFIDLT-AAEUAGOBSA-N 1 0 278.356 2.156 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739394 363786241 /nfs/dbraw/zinc/78/62/41/363786241.db2.gz FOPGIMMVJZCOLC-GHMZBOCLSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000083522956 363778207 /nfs/dbraw/zinc/77/82/07/363778207.db2.gz NWKGVVLKSIDMRQ-UHFFFAOYSA-N 1 0 250.298 2.029 20 5 CEBDRO COC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183291945 189353743 /nfs/dbraw/zinc/35/37/43/189353743.db2.gz ZYRWFAWLQQGONA-NSHDSACASA-N 1 0 252.314 2.370 20 5 CEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000029092063 361680653 /nfs/dbraw/zinc/68/06/53/361680653.db2.gz AQWQXYRCJCJQDY-UHFFFAOYSA-N 1 0 295.364 2.013 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)nc1 ZINC000302144818 201363404 /nfs/dbraw/zinc/36/34/04/201363404.db2.gz GYYYRUZHPCZQRS-GFCCVEGCSA-N 1 0 291.355 2.061 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000089517943 363975471 /nfs/dbraw/zinc/97/54/71/363975471.db2.gz OAJODARIMHCNTE-SNVBAGLBSA-N 1 0 290.323 2.488 20 5 CEBDRO COCC[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093005897 364129594 /nfs/dbraw/zinc/12/95/94/364129594.db2.gz DBECRRBWFCSRTG-UHFFFAOYSA-N 1 0 296.367 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000237773530 370750918 /nfs/dbraw/zinc/75/09/18/370750918.db2.gz MIKCNHXOCXJSBS-UHFFFAOYSA-N 1 0 299.321 2.414 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093983958 364244853 /nfs/dbraw/zinc/24/48/53/364244853.db2.gz GSLIDQUULWWJIL-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO COCC[C@@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059666 299342579 /nfs/dbraw/zinc/34/25/79/299342579.db2.gz GSAUVIGSIRDOIK-FZMZJTMJSA-N 1 0 294.351 2.223 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C ZINC000572082389 299344159 /nfs/dbraw/zinc/34/41/59/299344159.db2.gz NJHMTEXQCANHDN-MNOVXSKESA-N 1 0 290.367 2.457 20 5 CEBDRO C[C@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C ZINC000572082391 299344055 /nfs/dbraw/zinc/34/40/55/299344055.db2.gz NJHMTEXQCANHDN-WDEREUQCSA-N 1 0 290.367 2.457 20 5 CEBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000097372043 364494447 /nfs/dbraw/zinc/49/44/47/364494447.db2.gz VCKWMKACUHPTIA-XQQFMLRXSA-N 1 0 294.351 2.065 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000097436348 364500819 /nfs/dbraw/zinc/50/08/19/364500819.db2.gz GZSANWPXATVLNL-MNOVXSKESA-N 1 0 252.314 2.264 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000111828773 364762645 /nfs/dbraw/zinc/76/26/45/364762645.db2.gz JTIRLPDJTWMEQT-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000116131350 365039481 /nfs/dbraw/zinc/03/94/81/365039481.db2.gz WESCVAKLMIKAAZ-NSHDSACASA-N 1 0 297.355 2.284 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842156 365183160 /nfs/dbraw/zinc/18/31/60/365183160.db2.gz IIIYMZJLVCKZEZ-CQSZACIVSA-N 1 0 277.368 2.368 20 5 CEBDRO COCC[NH+]1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275518048 193065124 /nfs/dbraw/zinc/06/51/24/193065124.db2.gz WCINMLBPBKBKFE-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000275852815 193147422 /nfs/dbraw/zinc/14/74/22/193147422.db2.gz IEERMGCXFBLJTL-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000159210595 366889732 /nfs/dbraw/zinc/88/97/32/366889732.db2.gz GYIDNWCYJYTERA-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072453 367158604 /nfs/dbraw/zinc/15/86/04/367158604.db2.gz SXWLYHJHADQGRU-PHIMTYICSA-N 1 0 295.339 2.181 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000586768185 367188523 /nfs/dbraw/zinc/18/85/23/367188523.db2.gz ZCDXVXYRSPECEK-JTQLQIEISA-N 1 0 299.321 2.399 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000169015717 367365193 /nfs/dbraw/zinc/36/51/93/367365193.db2.gz PYZGOVDMSWYXEL-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO CCCN(CC[NH+]1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343351104 367767600 /nfs/dbraw/zinc/76/76/00/367767600.db2.gz DLXRGDXDJICPBE-UHFFFAOYSA-N 1 0 295.387 2.031 20 5 CEBDRO Cc1ccnc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343473778 367835564 /nfs/dbraw/zinc/83/55/64/367835564.db2.gz LDCZBHIAQWMQFO-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343479161 367838804 /nfs/dbraw/zinc/83/88/04/367838804.db2.gz QNCBZRRHCYKRIT-CMPLNLGQSA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)OC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000173471045 367913994 /nfs/dbraw/zinc/91/39/94/367913994.db2.gz KWSXEJITHORKGN-UHFFFAOYSA-N 1 0 280.324 2.368 20 5 CEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(C)(C)C[NH+](C)C ZINC000345644222 368355976 /nfs/dbraw/zinc/35/59/76/368355976.db2.gz RZTNHCWRKUTUBH-SNVBAGLBSA-N 1 0 266.345 2.378 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180454528 368381402 /nfs/dbraw/zinc/38/14/02/368381402.db2.gz UBGBQACLHHHJGV-NSHDSACASA-N 1 0 291.351 2.162 20 5 CEBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346663959 368758636 /nfs/dbraw/zinc/75/86/36/368758636.db2.gz XJHVVEOWUDSRKY-NSHDSACASA-N 1 0 287.319 2.388 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000189641048 369551054 /nfs/dbraw/zinc/55/10/54/369551054.db2.gz SPQXMULHSKDBTD-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CCC2 ZINC000192604410 369833578 /nfs/dbraw/zinc/83/35/78/369833578.db2.gz FXGLOBIEUGANHS-HNNXBMFYSA-N 1 0 286.335 2.459 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192779006 369853025 /nfs/dbraw/zinc/85/30/25/369853025.db2.gz PETYXZCDAMOFOM-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000352791827 369879387 /nfs/dbraw/zinc/87/93/87/369879387.db2.gz JFLUUHBCBCISKJ-CABZTGNLSA-N 1 0 282.365 2.445 20 5 CEBDRO COc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000352910162 369944985 /nfs/dbraw/zinc/94/49/85/369944985.db2.gz KAGZIYGAMQZQBQ-AWEZNQCLSA-N 1 0 282.340 2.100 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000195308133 370124269 /nfs/dbraw/zinc/12/42/69/370124269.db2.gz BOBUVVWCRPKVLF-UHFFFAOYSA-N 1 0 289.335 2.408 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059639 370218146 /nfs/dbraw/zinc/21/81/46/370218146.db2.gz VWOIIBJESNFCEP-ZWNOBZJWSA-N 1 0 284.381 2.105 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCSC1 ZINC000223190983 370260944 /nfs/dbraw/zinc/26/09/44/370260944.db2.gz REQKWALUFRJCBB-SNVBAGLBSA-N 1 0 268.338 2.199 20 5 CEBDRO Cc1ccnc(NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000227115338 370361165 /nfs/dbraw/zinc/36/11/65/370361165.db2.gz OJBPLIJZWRFUME-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CCn1nccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883916 370497206 /nfs/dbraw/zinc/49/72/06/370497206.db2.gz YAXRSFLCSLPSRR-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO COc1cccc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000355330642 370553356 /nfs/dbraw/zinc/55/33/56/370553356.db2.gz KTVSIEUWLJHAKO-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000236247037 370586006 /nfs/dbraw/zinc/58/60/06/370586006.db2.gz MVICCQZXZBTJHC-TZMCWYRMSA-N 1 0 280.299 2.391 20 5 CEBDRO CC(C)C[NH+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355807581 370616050 /nfs/dbraw/zinc/61/60/50/370616050.db2.gz ZXORMVJMCWBPAJ-UHFFFAOYSA-N 1 0 268.361 2.442 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000247028637 371050523 /nfs/dbraw/zinc/05/05/23/371050523.db2.gz UVWUQKRKSUHTLB-QWRGUYRKSA-N 1 0 291.351 2.314 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCC1)C1CC1 ZINC000358336087 371019960 /nfs/dbraw/zinc/01/99/60/371019960.db2.gz CDHYVSJTUNJSPQ-OAHLLOKOSA-N 1 0 289.379 2.211 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000358340399 371022729 /nfs/dbraw/zinc/02/27/29/371022729.db2.gz LCVCLJIYMGXNHT-LBPRGKRZSA-N 1 0 263.341 2.260 20 5 CEBDRO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287308410 376203543 /nfs/dbraw/zinc/20/35/43/376203543.db2.gz LCYFPTOBJIIJSU-CQSZACIVSA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2C)n1 ZINC000359102015 371337203 /nfs/dbraw/zinc/33/72/03/371337203.db2.gz GCGAMILQBRXAKW-LLVKDONJSA-N 1 0 264.329 2.113 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249979522 371373114 /nfs/dbraw/zinc/37/31/14/371373114.db2.gz LEXFWUZYCVEIRW-FZMZJTMJSA-N 1 0 264.325 2.106 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000360950186 371557833 /nfs/dbraw/zinc/55/78/33/371557833.db2.gz ZCOVYKXSDJCOJT-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336831038 213732036 /nfs/dbraw/zinc/73/20/36/213732036.db2.gz CKNSHKCQXBEHOE-JTQLQIEISA-N 1 0 283.376 2.262 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000361047418 371619711 /nfs/dbraw/zinc/61/97/11/371619711.db2.gz XPDNCQIZLCPEDQ-CABZTGNLSA-N 1 0 293.371 2.014 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C[NH3+] ZINC000261584663 371663261 /nfs/dbraw/zinc/66/32/61/371663261.db2.gz HXOGOBGUHLLAOY-UHFFFAOYSA-N 1 0 269.320 2.151 20 5 CEBDRO Cc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261961748 371786421 /nfs/dbraw/zinc/78/64/21/371786421.db2.gz HJLMLDZXMHASPV-HNNXBMFYSA-N 1 0 275.352 2.089 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000262136178 371829325 /nfs/dbraw/zinc/82/93/25/371829325.db2.gz YRGZHHGFZPVTRH-MRXNPFEDSA-N 1 0 298.346 2.136 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262110965 371825844 /nfs/dbraw/zinc/82/58/44/371825844.db2.gz WKECIAIVBOZPIP-LLCTXKFZSA-N 1 0 287.363 2.293 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000362021456 372174603 /nfs/dbraw/zinc/17/46/03/372174603.db2.gz ZBNQMKOLADELEF-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362365567 372332502 /nfs/dbraw/zinc/33/25/02/372332502.db2.gz OTDRFHDOCKKRSV-PWSUYJOCSA-N 1 0 277.324 2.039 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344343438 217160121 /nfs/dbraw/zinc/16/01/21/217160121.db2.gz CNWNACPQRAOKBC-OCCSQVGLSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000344408262 217183901 /nfs/dbraw/zinc/18/39/01/217183901.db2.gz KPZIZQSZSCLFOK-CSPWOOARSA-N 1 0 276.336 2.359 20 5 CEBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000353389390 220059271 /nfs/dbraw/zinc/05/92/71/220059271.db2.gz VSWSCRGHSWXHQU-LLVKDONJSA-N 1 0 252.314 2.186 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H](C)CO ZINC000270307875 372735258 /nfs/dbraw/zinc/73/52/58/372735258.db2.gz UJNYTJUQTQXBMM-GFCCVEGCSA-N 1 0 296.367 2.492 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870150 217340175 /nfs/dbraw/zinc/34/01/75/217340175.db2.gz XKOMUUJAWMJKRA-OBIHZWKSSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368409858 373237588 /nfs/dbraw/zinc/23/75/88/373237588.db2.gz HTCDWKYIPOWRPO-BXUZGUMPSA-N 1 0 276.336 2.421 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000368496106 373241710 /nfs/dbraw/zinc/24/17/10/373241710.db2.gz MSQSDYIJFYADHR-NZPIUUIZSA-N 1 0 262.309 2.138 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000573607961 299444397 /nfs/dbraw/zinc/44/43/97/299444397.db2.gz ZSFMJZZCMCGAKQ-MQMHXKEQSA-N 1 0 264.325 2.296 20 5 CEBDRO COC[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000272648137 373599835 /nfs/dbraw/zinc/59/98/35/373599835.db2.gz DUIYFCPDZHXXPK-OCCSQVGLSA-N 1 0 296.367 2.167 20 5 CEBDRO CCC[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272954271 373731018 /nfs/dbraw/zinc/73/10/18/373731018.db2.gz QLNFQRWEVPGHOU-QWHCGFSZSA-N 1 0 296.367 2.455 20 5 CEBDRO CCC[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272966786 373738044 /nfs/dbraw/zinc/73/80/44/373738044.db2.gz AURYRDPGPKIVSE-LBPRGKRZSA-N 1 0 282.340 2.066 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000274319139 373878681 /nfs/dbraw/zinc/87/86/81/373878681.db2.gz CLJAQIIUWUYPEW-UHFFFAOYSA-N 1 0 297.384 2.080 20 5 CEBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276954645 374358275 /nfs/dbraw/zinc/35/82/75/374358275.db2.gz USJBYJJZEWRLHZ-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374051576 374473947 /nfs/dbraw/zinc/47/39/47/374473947.db2.gz RWSDIPYYOXZMMP-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000374051454 374474208 /nfs/dbraw/zinc/47/42/08/374474208.db2.gz RKCKSLQRDRGKJF-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000376756292 374729622 /nfs/dbraw/zinc/72/96/22/374729622.db2.gz CJWNSGWUWOBLNZ-WFASDCNBSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000278310554 374777117 /nfs/dbraw/zinc/77/71/17/374777117.db2.gz HDVYBXRGGNTGRE-UHFFFAOYSA-N 1 0 276.340 2.069 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385857997 375246210 /nfs/dbraw/zinc/24/62/10/375246210.db2.gz YYWYMAVNIBPZCA-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc(OCC[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000388470058 375290571 /nfs/dbraw/zinc/29/05/71/375290571.db2.gz PONSWENJSYGUGK-JTQLQIEISA-N 1 0 268.288 2.421 20 5 CEBDRO C[NH+](C)C1(CNc2cc(N)ccc2[N+](=O)[O-])CCCC1 ZINC000282232373 375433670 /nfs/dbraw/zinc/43/36/70/375433670.db2.gz PETVPEDFGUHWPP-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000408472625 375494641 /nfs/dbraw/zinc/49/46/41/375494641.db2.gz WAKLRDPYGNWILU-SNVBAGLBSA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1ccc(CN2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414763152 375955302 /nfs/dbraw/zinc/95/53/02/375955302.db2.gz BLEGMIOGXFALES-RISCZKNCSA-N 1 0 277.368 2.462 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414694330 375922526 /nfs/dbraw/zinc/92/25/26/375922526.db2.gz FRJUCHOAEVYDJC-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000414705241 375932134 /nfs/dbraw/zinc/93/21/34/375932134.db2.gz NTLNGTOQMNKNPD-BXKDBHETSA-N 1 0 292.339 2.023 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000414805665 375991746 /nfs/dbraw/zinc/99/17/46/375991746.db2.gz MDOQCMNHCYDOQJ-RISCZKNCSA-N 1 0 277.368 2.243 20 5 CEBDRO CCN1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)[C@H](C)C1 ZINC000286525714 375981966 /nfs/dbraw/zinc/98/19/66/375981966.db2.gz ZYSZZPXSCPFJDL-LLVKDONJSA-N 1 0 291.351 2.328 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000287148846 376161508 /nfs/dbraw/zinc/16/15/08/376161508.db2.gz GDQDWZLMPDSDQC-UHFFFAOYSA-N 1 0 291.351 2.329 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000289751310 376479740 /nfs/dbraw/zinc/47/97/40/376479740.db2.gz IDSUSTUEYWDMHO-SNVBAGLBSA-N 1 0 271.386 2.475 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)C1CCCC1 ZINC000289713683 376457773 /nfs/dbraw/zinc/45/77/73/376457773.db2.gz YRWZUEDSPVOMPI-CYBMUJFWSA-N 1 0 294.351 2.114 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000263872375 190082845 /nfs/dbraw/zinc/08/28/45/190082845.db2.gz GPGYYEFCEAOZNG-VIFPVBQESA-N 1 0 285.369 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000556974659 376526088 /nfs/dbraw/zinc/52/60/88/376526088.db2.gz XISJQXXJCLGOCF-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO Cc1cc(N2CC[NH2+]C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420217003 376624302 /nfs/dbraw/zinc/62/43/02/376624302.db2.gz HFNXWPXBNYXEGF-NSHDSACASA-N 1 0 286.335 2.250 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420234244 376641501 /nfs/dbraw/zinc/64/15/01/376641501.db2.gz HHGODQWRMMWJJS-MNOVXSKESA-N 1 0 264.329 2.288 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420234245 376642198 /nfs/dbraw/zinc/64/21/98/376642198.db2.gz HHGODQWRMMWJJS-QWRGUYRKSA-N 1 0 264.329 2.288 20 5 CEBDRO Cc1nc(N(CCC[NH3+])CC2CCCC2)ncc1[N+](=O)[O-] ZINC000420252628 376662498 /nfs/dbraw/zinc/66/24/98/376662498.db2.gz OHSXFLVLKRIWCC-UHFFFAOYSA-N 1 0 293.371 2.039 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCCCC1 ZINC000313417913 376744716 /nfs/dbraw/zinc/74/47/16/376744716.db2.gz WSMUFDBPTZXJKM-UHFFFAOYSA-N 1 0 281.360 2.017 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000314523066 376776390 /nfs/dbraw/zinc/77/63/90/376776390.db2.gz OLHDQCVJRWFDOJ-LAUAKBEESA-N 1 0 291.351 2.242 20 5 CEBDRO CC(C)C[C@H](C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000290459067 376787627 /nfs/dbraw/zinc/78/76/27/376787627.db2.gz TZHGUANTGSCZSA-NSHDSACASA-N 1 0 254.334 2.063 20 5 CEBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000290721938 376896780 /nfs/dbraw/zinc/89/67/80/376896780.db2.gz PMCDPRBYHZAULH-MRVPVSSYSA-N 1 0 258.347 2.192 20 5 CEBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330535293 377174294 /nfs/dbraw/zinc/17/42/94/377174294.db2.gz JEMZOOJUTOQLOH-UHFFFAOYSA-N 1 0 297.380 2.070 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[NH+]1CCCC1 ZINC000331336829 377385755 /nfs/dbraw/zinc/38/57/55/377385755.db2.gz ZDBWLQOFEFSPTK-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO COc1cc(N2CC[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000293150493 377449120 /nfs/dbraw/zinc/44/91/20/377449120.db2.gz TWBNHERONRAONU-SNVBAGLBSA-N 1 0 297.330 2.130 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(F)c1 ZINC000332234394 377548118 /nfs/dbraw/zinc/54/81/18/377548118.db2.gz PLHGXVBLOCOLKE-VHRBIJSZSA-N 1 0 294.326 2.327 20 5 CEBDRO COc1ccc(OCC[N@@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293525729 377609880 /nfs/dbraw/zinc/60/98/80/377609880.db2.gz WLJDMPXEMFQDJW-WDEREUQCSA-N 1 0 280.324 2.322 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1O ZINC000313568657 249396284 /nfs/dbraw/zinc/39/62/84/249396284.db2.gz VNHOUGUBXBPWIS-ZIAGYGMSSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000332487116 377622308 /nfs/dbraw/zinc/62/23/08/377622308.db2.gz QVNPFNBAZDJKSH-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000443519750 378059468 /nfs/dbraw/zinc/05/94/68/378059468.db2.gz WZWGWPQEQZQGGE-UHFFFAOYSA-N 1 0 284.385 2.150 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295284738 378085173 /nfs/dbraw/zinc/08/51/73/378085173.db2.gz TYPIWGBNJVSDEM-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000266024360 190224370 /nfs/dbraw/zinc/22/43/70/190224370.db2.gz RMJNOOJJSNYUMB-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000295286498 378086655 /nfs/dbraw/zinc/08/66/55/378086655.db2.gz TVVNGXHXLIIRBL-LBPRGKRZSA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000295636783 378246045 /nfs/dbraw/zinc/24/60/45/378246045.db2.gz XWGYEVSNXSHXJJ-LBPRGKRZSA-N 1 0 293.371 2.226 20 5 CEBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000450382527 378385351 /nfs/dbraw/zinc/38/53/51/378385351.db2.gz XIVHBEVPPHXGBK-UHFFFAOYSA-N 1 0 290.323 2.151 20 5 CEBDRO CCC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484082 378444971 /nfs/dbraw/zinc/44/49/71/378444971.db2.gz KLXFOQKNBDBPIO-CQSZACIVSA-N 1 0 264.325 2.114 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000296737185 378632929 /nfs/dbraw/zinc/63/29/29/378632929.db2.gz OPHSFBUXBAHAMA-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296642555 378603280 /nfs/dbraw/zinc/60/32/80/378603280.db2.gz IJNYPPSLJXRBAC-HNNXBMFYSA-N 1 0 294.351 2.332 20 5 CEBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346649336 217974958 /nfs/dbraw/zinc/97/49/58/217974958.db2.gz NVZAUIQCIFNNBV-GFCCVEGCSA-N 1 0 287.319 2.388 20 5 CEBDRO CC(C)[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000298701354 378805226 /nfs/dbraw/zinc/80/52/26/378805226.db2.gz VONFFDFGNPUAMT-AWEZNQCLSA-N 1 0 296.367 2.453 20 5 CEBDRO COC1([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453156530 378821535 /nfs/dbraw/zinc/82/15/35/378821535.db2.gz WYZFVXCCLYBEAX-GFCCVEGCSA-N 1 0 294.351 2.269 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268693 378850210 /nfs/dbraw/zinc/85/02/10/378850210.db2.gz ZXSOJJJGJYSBEV-WFASDCNBSA-N 1 0 296.367 2.341 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453301614 378859172 /nfs/dbraw/zinc/85/91/72/378859172.db2.gz XQOAUXHXGJWHMP-OSAQELSMSA-N 1 0 294.351 2.297 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993806 218083022 /nfs/dbraw/zinc/08/30/22/218083022.db2.gz AVCRZMQZIHLGLR-UDGJJRABSA-N 1 0 275.352 2.277 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347035376 218100027 /nfs/dbraw/zinc/10/00/27/218100027.db2.gz GOLUCJGHBCRMBE-BXUZGUMPSA-N 1 0 263.341 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH2+]CC1 ZINC000347108562 218123991 /nfs/dbraw/zinc/12/39/91/218123991.db2.gz OPPFJAPKMRVBID-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151336 218139535 /nfs/dbraw/zinc/13/95/35/218139535.db2.gz BDGRJNVYRGFWGH-BPJJOFIESA-N 1 0 275.352 2.149 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454362719 378999146 /nfs/dbraw/zinc/99/91/46/378999146.db2.gz LHDIVUOABUIZMX-UHFFFAOYSA-N 1 0 280.328 2.057 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC(O)C1 ZINC000347375227 218211815 /nfs/dbraw/zinc/21/18/15/218211815.db2.gz OITXLDPMPOHZFH-IZZDOVSWSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000299598186 379062593 /nfs/dbraw/zinc/06/25/93/379062593.db2.gz GUNJVXYBUGGFCT-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278693002 194106229 /nfs/dbraw/zinc/10/62/29/194106229.db2.gz GXUQGUZXDSWLLF-ZOWXZIJZSA-N 1 0 294.351 2.094 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736659 194131340 /nfs/dbraw/zinc/13/13/40/194131340.db2.gz LLNCDYGTCMSALR-RISCZKNCSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000510139408 379116782 /nfs/dbraw/zinc/11/67/82/379116782.db2.gz JOOPCEFPWNUOQA-TXEJJXNPSA-N 1 0 280.324 2.213 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347479124 218250702 /nfs/dbraw/zinc/25/07/02/218250702.db2.gz RHMAHETXZWIMPJ-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000519522389 379423565 /nfs/dbraw/zinc/42/35/65/379423565.db2.gz YVWPEGSZWPKTMP-AYRXBEOTSA-N 1 0 290.367 2.159 20 5 CEBDRO Cc1ncc2c(n1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000523702005 379604685 /nfs/dbraw/zinc/60/46/85/379604685.db2.gz OIKZRLOLOHONNR-UHFFFAOYSA-N 1 0 298.346 2.294 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000267201205 190311024 /nfs/dbraw/zinc/31/10/24/190311024.db2.gz FVYJOMKYKZKMPP-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000457118459 379677968 /nfs/dbraw/zinc/67/79/68/379677968.db2.gz MZHXJSXHNUPMPA-GFCCVEGCSA-N 1 0 291.351 2.150 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000305196199 379682000 /nfs/dbraw/zinc/68/20/00/379682000.db2.gz UBEKPRHOMHEWMF-CYBMUJFWSA-N 1 0 264.325 2.330 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268098151 190376414 /nfs/dbraw/zinc/37/64/14/190376414.db2.gz ABUWNDGBSABLQZ-UHFFFAOYSA-N 1 0 299.758 2.205 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167089 190382780 /nfs/dbraw/zinc/38/27/80/190382780.db2.gz PTMRZLGBGBUCSE-GXFFZTMASA-N 1 0 261.325 2.489 20 5 CEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489468909 380194266 /nfs/dbraw/zinc/19/42/66/380194266.db2.gz YLKLAXCNDCUKSY-TZMCWYRMSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)C[NH+](C)C)n1 ZINC000489026988 380155653 /nfs/dbraw/zinc/15/56/53/380155653.db2.gz QTSWWWBNCHRPEP-VIFPVBQESA-N 1 0 266.345 2.216 20 5 CEBDRO C[C@@H]1CC[N@H+](CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000540802470 380257276 /nfs/dbraw/zinc/25/72/76/380257276.db2.gz GCWGXUGALAEKDL-SNVBAGLBSA-N 1 0 269.370 2.088 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000268792931 190433660 /nfs/dbraw/zinc/43/36/60/190433660.db2.gz GWBFXRGMDYBDQV-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000289418979 197337712 /nfs/dbraw/zinc/33/77/12/197337712.db2.gz CJKKPSMOVZDATC-AAEUAGOBSA-N 1 0 278.356 2.373 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCC[NH2+]C1)CCC2 ZINC000332197864 285144897 /nfs/dbraw/zinc/14/48/97/285144897.db2.gz DZPSAJKIBBIBNI-IUODEOHRSA-N 1 0 275.352 2.314 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252862783 285154177 /nfs/dbraw/zinc/15/41/77/285154177.db2.gz KTVQUBDJRUKSJA-PKFCDNJMSA-N 1 0 296.754 2.451 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261631064 285155197 /nfs/dbraw/zinc/15/51/97/285155197.db2.gz VWAOQLGJPZQBMS-UWVGGRQHSA-N 1 0 281.743 2.294 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000408472749 285176195 /nfs/dbraw/zinc/17/61/95/285176195.db2.gz WUCLPSDKFSIUAQ-LLVKDONJSA-N 1 0 294.330 2.194 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000226771477 285180705 /nfs/dbraw/zinc/18/07/05/285180705.db2.gz VZSNNWJAUVNOMI-BDAKNGLRSA-N 1 0 268.342 2.090 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000291707386 285186765 /nfs/dbraw/zinc/18/67/65/285186765.db2.gz VEEFXWVUZNUHSN-GFCCVEGCSA-N 1 0 298.346 2.427 20 5 CEBDRO [NH3+]C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633616 184699381 /nfs/dbraw/zinc/69/93/81/184699381.db2.gz FYZFZVPDTJPFNK-UHFFFAOYSA-N 1 0 269.732 2.171 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000413234459 533592236 /nfs/dbraw/zinc/59/22/36/533592236.db2.gz MKAWFYHJTGADJR-SNVBAGLBSA-N 1 0 296.346 2.295 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191206208 130202137 /nfs/dbraw/zinc/20/21/37/130202137.db2.gz FPNXUENKTKSNLL-MRVPVSSYSA-N 1 0 258.705 2.373 20 5 CEBDRO COc1cc(C[NH2+]CC=C(C)C)c([N+](=O)[O-])cc1O ZINC000191632450 130266440 /nfs/dbraw/zinc/26/64/40/130266440.db2.gz ANJMPXKVOKBXQU-UHFFFAOYSA-N 1 0 266.297 2.365 20 5 CEBDRO CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000192080263 130367497 /nfs/dbraw/zinc/36/74/97/130367497.db2.gz YHNCTFHNGPZPQK-CWSCBRNRSA-N 1 0 279.340 2.145 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237142657 131007283 /nfs/dbraw/zinc/00/72/83/131007283.db2.gz FJEBORXLNQBESX-QWHCGFSZSA-N 1 0 291.351 2.014 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000251582421 131130760 /nfs/dbraw/zinc/13/07/60/131130760.db2.gz WJQBFVZGGMQDRO-VHRBIJSZSA-N 1 0 264.325 2.406 20 5 CEBDRO COc1cc(N[C@@H](C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000218849247 394457582 /nfs/dbraw/zinc/45/75/82/394457582.db2.gz WVEWCNUSXYUIDR-VIFPVBQESA-N 1 0 285.319 2.495 20 5 CEBDRO CCC[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301434376 394460474 /nfs/dbraw/zinc/46/04/74/394460474.db2.gz ISCLVDQSQIHGGX-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413025584 394465633 /nfs/dbraw/zinc/46/56/33/394465633.db2.gz QULFNMYYSHSYBZ-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000265841463 394654961 /nfs/dbraw/zinc/65/49/61/394654961.db2.gz WQLUKNDODOABHT-SECBINFHSA-N 1 0 256.327 2.125 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261724699 394606650 /nfs/dbraw/zinc/60/66/50/394606650.db2.gz KJBJGWVKYNQBJQ-WCQYABFASA-N 1 0 291.351 2.071 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356853624 394631391 /nfs/dbraw/zinc/63/13/91/394631391.db2.gz SJVPJBLCDAHOSC-YPMHNXCESA-N 1 0 264.325 2.500 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356872309 394637899 /nfs/dbraw/zinc/63/78/99/394637899.db2.gz FHZFYXSJEFUIBZ-NEPJUHHUSA-N 1 0 291.351 2.068 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000359070852 394739952 /nfs/dbraw/zinc/73/99/52/394739952.db2.gz ZOQWFDHLCVQOGO-NSHDSACASA-N 1 0 281.331 2.308 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000357041636 394690622 /nfs/dbraw/zinc/69/06/22/394690622.db2.gz PEUFHTWYQWPOGE-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000115434756 394754493 /nfs/dbraw/zinc/75/44/93/394754493.db2.gz RXELBNAYMMNTRE-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000422834728 394819197 /nfs/dbraw/zinc/81/91/97/394819197.db2.gz XJIGGJSSDHEIEL-OAHLLOKOSA-N 1 0 291.351 2.069 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000415047190 394862967 /nfs/dbraw/zinc/86/29/67/394862967.db2.gz VPBQOJGATNJCFC-GFCCVEGCSA-N 1 0 283.759 2.478 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]2C1 ZINC000278270765 394828624 /nfs/dbraw/zinc/82/86/24/394828624.db2.gz ARJZWZPUGUKDJX-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]2C1 ZINC000278288457 394829043 /nfs/dbraw/zinc/82/90/43/394829043.db2.gz CKGCYONMWWISJY-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414968981 394830809 /nfs/dbraw/zinc/83/08/09/394830809.db2.gz YWLMCUMVTVACDN-BXUZGUMPSA-N 1 0 293.367 2.081 20 5 CEBDRO CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132098240 394924898 /nfs/dbraw/zinc/92/48/98/394924898.db2.gz ZLMFRXSVAPXVGZ-CYBMUJFWSA-N 1 0 293.367 2.269 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482806 394930438 /nfs/dbraw/zinc/93/04/38/394930438.db2.gz RBLQMRDDSWDBGX-BXKDBHETSA-N 1 0 285.294 2.243 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415493110 394937347 /nfs/dbraw/zinc/93/73/47/394937347.db2.gz CPTHEIYSHQOJNW-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846722 395001327 /nfs/dbraw/zinc/00/13/27/395001327.db2.gz NXOSBMQCMDHBKZ-PELKAZGASA-N 1 0 299.758 2.238 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230880 395017671 /nfs/dbraw/zinc/01/76/71/395017671.db2.gz DQWYDONKXQDSFZ-RYUDHWBXSA-N 1 0 276.340 2.053 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000342609284 395018265 /nfs/dbraw/zinc/01/82/65/395018265.db2.gz UYOPRKHCQSBCIQ-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1nc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286425965 395022519 /nfs/dbraw/zinc/02/25/19/395022519.db2.gz NGRWIKVVSJNYGV-OCCSQVGLSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000347033648 395117888 /nfs/dbraw/zinc/11/78/88/395117888.db2.gz BXCNNFZDKDRYGT-IAQYHMDHSA-N 1 0 277.368 2.462 20 5 CEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179384158 395192405 /nfs/dbraw/zinc/19/24/05/395192405.db2.gz KKRQLCKLQPNEGZ-UHFFFAOYSA-N 1 0 264.325 2.330 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CC([NH3+])C1 ZINC000420323235 395325803 /nfs/dbraw/zinc/32/58/03/395325803.db2.gz BDTVUWKAZNCWTD-UHFFFAOYSA-N 1 0 293.367 2.304 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420281581 395293603 /nfs/dbraw/zinc/29/36/03/395293603.db2.gz MGXYLBYKXKJREZ-GHMZBOCLSA-N 1 0 281.360 2.049 20 5 CEBDRO C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420624 395375500 /nfs/dbraw/zinc/37/55/00/395375500.db2.gz YAXCFQZFKLCDQE-WDEREUQCSA-N 1 0 281.331 2.151 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592958 395387638 /nfs/dbraw/zinc/38/76/38/395387638.db2.gz QYNBFJOOHUEPDE-RISCZKNCSA-N 1 0 264.325 2.333 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(F)cc(F)c1 ZINC000444701980 395447602 /nfs/dbraw/zinc/44/76/02/395447602.db2.gz XKRKWVLKAGAWSX-UHFFFAOYSA-N 1 0 296.277 2.202 20 5 CEBDRO CC(C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000444751971 395451864 /nfs/dbraw/zinc/45/18/64/395451864.db2.gz REZNOAGMKQHNBY-LBPRGKRZSA-N 1 0 266.345 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230392 395506901 /nfs/dbraw/zinc/50/69/01/395506901.db2.gz MGHCZJGTFOVPGD-HNNXBMFYSA-N 1 0 293.342 2.309 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC1(C)C ZINC000451241498 395597751 /nfs/dbraw/zinc/59/77/51/395597751.db2.gz LBETUBOVCSTNKT-ZDUSSCGKSA-N 1 0 280.324 2.261 20 5 CEBDRO COC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCCC1 ZINC000348894256 292109663 /nfs/dbraw/zinc/10/96/63/292109663.db2.gz OHYJVTVAXALEEM-UHFFFAOYSA-N 1 0 293.367 2.319 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228930022 153373429 /nfs/dbraw/zinc/37/34/29/153373429.db2.gz OGXMTGLHASCVIT-GHMZBOCLSA-N 1 0 279.340 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368409859 292297127 /nfs/dbraw/zinc/29/71/27/292297127.db2.gz HTCDWKYIPOWRPO-FZMZJTMJSA-N 1 0 276.336 2.421 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266940363 154137917 /nfs/dbraw/zinc/13/79/17/154137917.db2.gz AVSYOHQQNMXGHU-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000358256582 154543232 /nfs/dbraw/zinc/54/32/32/154543232.db2.gz UHDCDUNMPVUQHZ-LBPRGKRZSA-N 1 0 288.351 2.439 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000363192924 156008554 /nfs/dbraw/zinc/00/85/54/156008554.db2.gz QIOUJIZHWOGNNJ-OAHLLOKOSA-N 1 0 275.352 2.265 20 5 CEBDRO COc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363262994 156019895 /nfs/dbraw/zinc/01/98/95/156019895.db2.gz OGRADMBNEBNVPB-CYBMUJFWSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514742 156198195 /nfs/dbraw/zinc/19/81/95/156198195.db2.gz OTZDGYUYSCYYAR-GHMZBOCLSA-N 1 0 270.308 2.176 20 5 CEBDRO C[C@H](F)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514745 156198740 /nfs/dbraw/zinc/19/87/40/156198740.db2.gz OTZDGYUYSCYYAR-WDEREUQCSA-N 1 0 270.308 2.176 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000375428978 157092241 /nfs/dbraw/zinc/09/22/41/157092241.db2.gz ORNHQASJRJDOEE-WFASDCNBSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000375428977 157093060 /nfs/dbraw/zinc/09/30/60/157093060.db2.gz ORNHQASJRJDOEE-SWLSCSKDSA-N 1 0 292.335 2.131 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376007294 157174233 /nfs/dbraw/zinc/17/42/33/157174233.db2.gz MQVHYJXVAFUBNI-TZMCWYRMSA-N 1 0 292.335 2.227 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCSC3)CC2)n1 ZINC000376652068 157252992 /nfs/dbraw/zinc/25/29/92/157252992.db2.gz OTMWHZKUFIBORV-NSHDSACASA-N 1 0 296.396 2.181 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000132283393 286925672 /nfs/dbraw/zinc/92/56/72/286925672.db2.gz CKLPLSGKYOEPPC-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)(C)[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170889731 162374491 /nfs/dbraw/zinc/37/44/91/162374491.db2.gz QCRXPAMHFOGWPZ-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174816927 165119102 /nfs/dbraw/zinc/11/91/02/165119102.db2.gz MTVHUDBUWVLNAY-DGCLKSJQSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174866590 165120255 /nfs/dbraw/zinc/12/02/55/165120255.db2.gz OIKPOUMMRVKMRB-DYEKYZERSA-N 1 0 278.356 2.444 20 5 CEBDRO CCc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000175368959 165132567 /nfs/dbraw/zinc/13/25/67/165132567.db2.gz VHCRCTUEAJFRGK-UHFFFAOYSA-N 1 0 293.367 2.275 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196073 171061404 /nfs/dbraw/zinc/06/14/04/171061404.db2.gz OWSRVUJAROWMOW-ZYHUDNBSSA-N 1 0 252.314 2.325 20 5 CEBDRO COC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368081 172159429 /nfs/dbraw/zinc/15/94/29/172159429.db2.gz OIWSOTPXFGKJOZ-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000285754010 196387885 /nfs/dbraw/zinc/38/78/85/196387885.db2.gz VTCKYQMVRPEAEF-IUCAKERBSA-N 1 0 286.278 2.388 20 5 CEBDRO COC(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037415952 173192614 /nfs/dbraw/zinc/19/26/14/173192614.db2.gz GJGGVLGEVILKFC-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040591668 174347029 /nfs/dbraw/zinc/34/70/29/174347029.db2.gz HNAUWSCRGHVBMD-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000215999119 414842158 /nfs/dbraw/zinc/84/21/58/414842158.db2.gz DVFZGMWHAGZZNU-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044533134 175197665 /nfs/dbraw/zinc/19/76/65/175197665.db2.gz JHJYICHLNIHDHC-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000044724740 175237713 /nfs/dbraw/zinc/23/77/13/175237713.db2.gz FIMFBJAAPBCACF-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1sc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000045137175 175313769 /nfs/dbraw/zinc/31/37/69/175313769.db2.gz PRPASNWFXGILDW-UHFFFAOYSA-N 1 0 285.369 2.035 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000048694330 175444206 /nfs/dbraw/zinc/44/42/06/175444206.db2.gz CDLARQXVOZVZFM-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000078428150 177340907 /nfs/dbraw/zinc/34/09/07/177340907.db2.gz WYWZLGWWAUZVNU-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449140474 260248683 /nfs/dbraw/zinc/24/86/83/260248683.db2.gz CAJONOUSFKEBED-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000430551382 263259706 /nfs/dbraw/zinc/25/97/06/263259706.db2.gz PNYVUBXUIZCOHV-ZDUSSCGKSA-N 1 0 251.330 2.058 20 5 CEBDRO COCCOCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518999415 265291565 /nfs/dbraw/zinc/29/15/65/265291565.db2.gz AGWPVTJURQSFJR-CQSZACIVSA-N 1 0 294.351 2.225 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189977266 270265582 /nfs/dbraw/zinc/26/55/82/270265582.db2.gz MGHJFEXKDAIOGP-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)(C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236606215 270315512 /nfs/dbraw/zinc/31/55/12/270315512.db2.gz PAMXWKWYNWKROY-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO Cc1ccc(C[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395892223 270348425 /nfs/dbraw/zinc/34/84/25/270348425.db2.gz SDAMQZDTAMMYLC-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271514 270352191 /nfs/dbraw/zinc/35/21/91/270352191.db2.gz XKUZRQYWLGZADI-DYEKYZERSA-N 1 0 277.368 2.400 20 5 CEBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC1 ZINC000420236058 270490123 /nfs/dbraw/zinc/49/01/23/270490123.db2.gz ZSOUZIZJAGWLJW-UHFFFAOYSA-N 1 0 298.346 2.372 20 5 CEBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420239324 270491711 /nfs/dbraw/zinc/49/17/11/270491711.db2.gz SQKHRJFCYDBBEL-UHFFFAOYSA-N 1 0 286.335 2.230 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420244949 270493391 /nfs/dbraw/zinc/49/33/91/270493391.db2.gz ZCHXLZJQDBIHGT-VHSXEESVSA-N 1 0 287.323 2.220 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420357251 270525047 /nfs/dbraw/zinc/52/50/47/270525047.db2.gz SAPNFQPRSOLFJV-MJVIPROJSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C[NH3+])CCCC1 ZINC000422821603 270784478 /nfs/dbraw/zinc/78/44/78/270784478.db2.gz XKLICAOIGDGMIQ-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)C[NH3+] ZINC000430575446 271395390 /nfs/dbraw/zinc/39/53/90/271395390.db2.gz LDGQNMLVEJXDET-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO CC(C)[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000312219298 273551218 /nfs/dbraw/zinc/55/12/18/273551218.db2.gz DIBHDIHACLJDBS-CYBMUJFWSA-N 1 0 299.758 2.238 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](C)[NH+](C)C ZINC000341746195 274000702 /nfs/dbraw/zinc/00/07/02/274000702.db2.gz TYBTWJKEVFKJKZ-SNVBAGLBSA-N 1 0 295.339 2.052 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cccn1)CCC2 ZINC000192973275 275037917 /nfs/dbraw/zinc/03/79/17/275037917.db2.gz SWAOGOQCQWRYPQ-HNNXBMFYSA-N 1 0 286.335 2.459 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283727486 275656676 /nfs/dbraw/zinc/65/66/76/275656676.db2.gz HFNFGRLVORIMMP-UHFFFAOYSA-N 1 0 278.356 2.144 20 5 CEBDRO CC1(C)CC(Nc2ncc([N+](=O)[O-])cn2)CC(C)(C)[NH2+]1 ZINC000273634960 275809374 /nfs/dbraw/zinc/80/93/74/275809374.db2.gz RBTPAGWELNIAQW-UHFFFAOYSA-N 1 0 279.344 2.106 20 5 CEBDRO CCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000071332068 276000257 /nfs/dbraw/zinc/00/02/57/276000257.db2.gz LRPYMUJEZFBWIA-HNNXBMFYSA-N 1 0 277.368 2.211 20 5 CEBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000330855372 276028308 /nfs/dbraw/zinc/02/83/08/276028308.db2.gz NIDXKRRGBAEIJT-LLVKDONJSA-N 1 0 266.345 2.483 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000128829346 276666716 /nfs/dbraw/zinc/66/67/16/276666716.db2.gz OMLPLYIUUIIBQF-CHWSQXEVSA-N 1 0 291.351 2.157 20 5 CEBDRO C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000143647015 277030665 /nfs/dbraw/zinc/03/06/65/277030665.db2.gz ONDIKXHFJUEIAW-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227648406 277031816 /nfs/dbraw/zinc/03/18/16/277031816.db2.gz OBPKVVADWQQMAJ-UHFFFAOYSA-N 1 0 270.720 2.149 20 5 CEBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291096850 277357375 /nfs/dbraw/zinc/35/73/75/277357375.db2.gz YYQOIAWQQDBISE-CQSZACIVSA-N 1 0 264.325 2.500 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310663726 277459657 /nfs/dbraw/zinc/45/96/57/277459657.db2.gz XVYGFEBIHVIMPJ-SNVBAGLBSA-N 1 0 252.314 2.498 20 5 CEBDRO COCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593540 277535305 /nfs/dbraw/zinc/53/53/05/277535305.db2.gz VDZDUTKQNVTGIS-CYBMUJFWSA-N 1 0 250.298 2.208 20 5 CEBDRO COc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000249297941 278016796 /nfs/dbraw/zinc/01/67/96/278016796.db2.gz NGKBOBQNLVLIKT-NEPJUHHUSA-N 1 0 291.351 2.276 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000286355686 278787429 /nfs/dbraw/zinc/78/74/29/278787429.db2.gz MUCIHMZUNQFXOY-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1[N+](=O)[O-] ZINC000235891714 278912712 /nfs/dbraw/zinc/91/27/12/278912712.db2.gz XRIHPXPVVZSIOD-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000295160300 278988575 /nfs/dbraw/zinc/98/85/75/278988575.db2.gz KNAGPMISNVTFKL-SUNKGSAMSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279324 279639895 /nfs/dbraw/zinc/63/98/95/279639895.db2.gz JKHSZDWMDWJSRI-RYUDHWBXSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633638 279908162 /nfs/dbraw/zinc/90/81/62/279908162.db2.gz WRHGUBPTFBHBFM-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235672234 280210162 /nfs/dbraw/zinc/21/01/62/280210162.db2.gz XSRLPWLPMPAPLB-JQWIXIFHSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000354009777 280329149 /nfs/dbraw/zinc/32/91/49/280329149.db2.gz VVNDNUAXBVPZGV-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000408171850 280398359 /nfs/dbraw/zinc/39/83/59/280398359.db2.gz ONROJSPVBBWVPP-LBPRGKRZSA-N 1 0 278.356 2.137 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261596203 280529834 /nfs/dbraw/zinc/52/98/34/280529834.db2.gz DGRUFAJIGSSAOK-NSHDSACASA-N 1 0 299.758 2.351 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000332419957 281019682 /nfs/dbraw/zinc/01/96/82/281019682.db2.gz BKOVCORUTUSVHU-QFWMXSHPSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423726273 281083771 /nfs/dbraw/zinc/08/37/71/281083771.db2.gz POXHMWQCFDPOBE-QWRGUYRKSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000429762420 281253014 /nfs/dbraw/zinc/25/30/14/281253014.db2.gz PUBLHPWGQAEREC-GWCFXTLKSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341063224 281355820 /nfs/dbraw/zinc/35/58/20/281355820.db2.gz DZPBROLSIYQPQR-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446563196 281765317 /nfs/dbraw/zinc/76/53/17/281765317.db2.gz FMQKFCFZUKENAJ-SNVBAGLBSA-N 1 0 297.380 2.217 20 5 CEBDRO CCCNC(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158326302 289231800 /nfs/dbraw/zinc/23/18/00/289231800.db2.gz LSTQXFGIFXAUFG-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312618815 289281433 /nfs/dbraw/zinc/28/14/33/289281433.db2.gz ARJUKHLPOIMYNW-NHCYSSNCSA-N 1 0 279.315 2.216 20 5 CEBDRO Cc1cc(N[C@H]2CO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402029780 289289028 /nfs/dbraw/zinc/28/90/28/289289028.db2.gz IAUNPVBVYRZJMC-GHMZBOCLSA-N 1 0 287.319 2.463 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000272650207 290159340 /nfs/dbraw/zinc/15/93/40/290159340.db2.gz ZCAOFGMDUCKLBN-SDDRHHMPSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000459614448 290195384 /nfs/dbraw/zinc/19/53/84/290195384.db2.gz OLBNGWCORMQPNO-DGCLKSJQSA-N 1 0 266.345 2.350 20 5 CEBDRO CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487983374 290372163 /nfs/dbraw/zinc/37/21/63/290372163.db2.gz UWIIEXKBFLECHL-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488327668 290390850 /nfs/dbraw/zinc/39/08/50/290390850.db2.gz MNOPGBFKPCHDKT-GRYCIOLGSA-N 1 0 276.340 2.132 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261851325 297249868 /nfs/dbraw/zinc/24/98/68/297249868.db2.gz QFCAFFKELSIJGD-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000516857550 297605104 /nfs/dbraw/zinc/60/51/04/297605104.db2.gz HHHOSAQNAZEEOZ-UHFFFAOYSA-N 1 0 279.315 2.314 20 5 CEBDRO COC(C)(C)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000532340732 298141710 /nfs/dbraw/zinc/14/17/10/298141710.db2.gz QMLMSYCEHCGVNX-UHFFFAOYSA-N 1 0 282.340 2.330 20 5 CEBDRO COc1ccc(OCC[NH+]2[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000548096449 298393373 /nfs/dbraw/zinc/39/33/73/298393373.db2.gz YINMJEGDBFRWSQ-GHMZBOCLSA-N 1 0 280.324 2.465 20 5 CEBDRO C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555762432 298533748 /nfs/dbraw/zinc/53/37/48/298533748.db2.gz MORVHHDKEHAKMU-LLVKDONJSA-N 1 0 293.367 2.203 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)CC(F)F ZINC000566476240 298992063 /nfs/dbraw/zinc/99/20/63/298992063.db2.gz VJGBJSLFLIMSQI-KCJUWKMLSA-N 1 0 286.278 2.188 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000408168915 301202739 /nfs/dbraw/zinc/20/27/39/301202739.db2.gz JXHTZPNUXUOQQS-YPMHNXCESA-N 1 0 292.383 2.383 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189081882 302349327 /nfs/dbraw/zinc/34/93/27/302349327.db2.gz YSAXZPZCYRYGRJ-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1cnc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269107884 302350780 /nfs/dbraw/zinc/35/07/80/302350780.db2.gz VIUARJOKVXUWGO-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070196685 303490606 /nfs/dbraw/zinc/49/06/06/303490606.db2.gz OYBUJDNLVWRZPM-AWEZNQCLSA-N 1 0 283.331 2.485 20 5 CEBDRO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180400031 312767261 /nfs/dbraw/zinc/76/72/61/312767261.db2.gz JFBCUUQONISJEM-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000349856381 312900896 /nfs/dbraw/zinc/90/08/96/312900896.db2.gz RZOSOWWOXLIAKX-ZZKXABKFSA-N 1 0 250.298 2.012 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530724441 313305242 /nfs/dbraw/zinc/30/52/42/313305242.db2.gz KFUJUACTZJYMSX-AWEZNQCLSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000532248275 313343934 /nfs/dbraw/zinc/34/39/34/313343934.db2.gz SNFXJDMAMBLGRZ-SMDDNHRTSA-N 1 0 291.351 2.175 20 5 CEBDRO CCC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548783704 313575815 /nfs/dbraw/zinc/57/58/15/313575815.db2.gz STOMLNXXKKZZON-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC000563638711 313747141 /nfs/dbraw/zinc/74/71/41/313747141.db2.gz SCDXNFCYGKKELG-MFKMUULPSA-N 1 0 262.309 2.351 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478766 314281094 /nfs/dbraw/zinc/28/10/94/314281094.db2.gz BFNSOVKDHHJDPG-OIUHTZQUSA-N 1 0 276.336 2.499 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576515080 314283444 /nfs/dbraw/zinc/28/34/44/314283444.db2.gz KRQIMLDHZPWGSF-OCCSQVGLSA-N 1 0 292.335 2.214 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173991928 533719191 /nfs/dbraw/zinc/71/91/91/533719191.db2.gz OKTCHJXBASZDCZ-LLVKDONJSA-N 1 0 277.324 2.408 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414513129 533872085 /nfs/dbraw/zinc/87/20/85/533872085.db2.gz JSAITIZYFMJQRX-NQBHXWOUSA-N 1 0 264.325 2.498 20 5 CEBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000355013756 533894000 /nfs/dbraw/zinc/89/40/00/533894000.db2.gz OLOIHOKQOFSZRZ-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000183676571 518915053 /nfs/dbraw/zinc/91/50/53/518915053.db2.gz HNTLWOMKPPOIQD-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161537877 520722578 /nfs/dbraw/zinc/72/25/78/520722578.db2.gz TYQBQLUEXJWAPA-SNVBAGLBSA-N 1 0 266.345 2.440 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358773 520789242 /nfs/dbraw/zinc/78/92/42/520789242.db2.gz HXZANXLDRAYDBS-GXFFZTMASA-N 1 0 279.340 2.290 20 5 CEBDRO CCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092884 521501444 /nfs/dbraw/zinc/50/14/44/521501444.db2.gz LZCWMWPPCFNLKE-UHFFFAOYSA-N 1 0 276.296 2.487 20 5 CEBDRO Cc1cnc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357543092 534588750 /nfs/dbraw/zinc/58/87/50/534588750.db2.gz CZUSWGVDUZLLAF-NSHDSACASA-N 1 0 266.345 2.439 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292921352 523537905 /nfs/dbraw/zinc/53/79/05/523537905.db2.gz GELQMOGBJJKSME-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656063 525495729 /nfs/dbraw/zinc/49/57/29/525495729.db2.gz BHIPNJJCCDORSU-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312171 525903013 /nfs/dbraw/zinc/90/30/13/525903013.db2.gz UQPBCDLSYGIUIA-UYKLKCEZSA-N 1 0 284.381 2.321 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000161525018 527003372 /nfs/dbraw/zinc/00/33/72/527003372.db2.gz MRXMBTDGAUTOSU-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCC=CO3)nc2c1 ZINC000278745434 527379351 /nfs/dbraw/zinc/37/93/51/527379351.db2.gz ROSMYOBFZWCADE-NSHDSACASA-N 1 0 288.307 2.253 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCCC[C@H]32)n1 ZINC000366099615 527406917 /nfs/dbraw/zinc/40/69/17/527406917.db2.gz UPATXTPUWIPKSP-NWDGAFQWSA-N 1 0 264.329 2.056 20 5 CEBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880640 529234360 /nfs/dbraw/zinc/23/43/60/529234360.db2.gz JZDGHWLGZLJDTG-AAEUAGOBSA-N 1 0 298.412 2.397 20 5 CEBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191306340 535309812 /nfs/dbraw/zinc/30/98/12/535309812.db2.gz TXLHGEQEGTXABB-CYBMUJFWSA-N 1 0 291.351 2.362 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860798 574969829 /nfs/dbraw/zinc/96/98/29/574969829.db2.gz INPWSUCNRIQAJH-BDAKNGLRSA-N 1 0 252.318 2.096 20 5 CEBDRO Cc1cnc(N2CCC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000742429956 575021763 /nfs/dbraw/zinc/02/17/63/575021763.db2.gz NZIFQEWBWHGVEO-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000748820808 575197981 /nfs/dbraw/zinc/19/79/81/575197981.db2.gz VVEBXDUHXZSNQW-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262018932 623407172 /nfs/dbraw/zinc/40/71/72/623407172.db2.gz VZMZMYABSACHIQ-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000235608700 625672851 /nfs/dbraw/zinc/67/28/51/625672851.db2.gz DWWQSYYWRGZRDP-NOZJJQNGSA-N 1 0 268.288 2.391 20 5 CEBDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000934112664 624233837 /nfs/dbraw/zinc/23/38/37/624233837.db2.gz VCDKTRVRKCUZCF-OLZOCXBDSA-N 1 0 250.298 2.204 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251834140 625091959 /nfs/dbraw/zinc/09/19/59/625091959.db2.gz PVPHLXLUIALNGP-WZRBSPASSA-N 1 0 263.341 2.325 20 5 CEBDRO Cn1cncc1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000902118087 634485189 /nfs/dbraw/zinc/48/51/89/634485189.db2.gz YPCRMYILVJGVRE-UHFFFAOYSA-N 1 0 261.281 2.340 20 5 CEBDRO CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042545418 634495794 /nfs/dbraw/zinc/49/57/94/634495794.db2.gz MBKMJOHZPHSYRR-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000892970001 627908643 /nfs/dbraw/zinc/90/86/43/627908643.db2.gz BPKYEAHXLMHTOP-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000893136258 628030940 /nfs/dbraw/zinc/03/09/40/628030940.db2.gz WAGRIMILLVLVMJ-ZDUSSCGKSA-N 1 0 286.335 2.111 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000931036222 628338266 /nfs/dbraw/zinc/33/82/66/628338266.db2.gz DHJAPMPLKFCVQA-DGCLKSJQSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO[C@H]1C ZINC000925640166 628338371 /nfs/dbraw/zinc/33/83/71/628338371.db2.gz GNDZMVOGORILQT-MJVIPROJSA-N 1 0 264.325 2.150 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000103904956 628478069 /nfs/dbraw/zinc/47/80/69/628478069.db2.gz BTEJGNDOKKPZQC-CYBMUJFWSA-N 1 0 276.292 2.054 20 5 CEBDRO C[NH+]1C[C@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931304713 628508500 /nfs/dbraw/zinc/50/85/00/628508500.db2.gz QDCASYVEMKCAGX-HZPDHXFCSA-N 1 0 289.379 2.368 20 5 CEBDRO Cc1c(CNc2cc(N(C)C)ncn2)cccc1[N+](=O)[O-] ZINC000893452083 628621526 /nfs/dbraw/zinc/62/15/26/628621526.db2.gz IWJCTABHEUXMMS-UHFFFAOYSA-N 1 0 287.323 2.371 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1F ZINC000094775833 628876267 /nfs/dbraw/zinc/87/62/67/628876267.db2.gz XJMCNBMEKSWHDL-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO [NH3+]C1(c2noc(CCc3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261662141 628972972 /nfs/dbraw/zinc/97/29/72/628972972.db2.gz FQMHWFQQFHLMJX-UHFFFAOYSA-N 1 0 288.307 2.101 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941111 629055668 /nfs/dbraw/zinc/05/56/68/629055668.db2.gz QTLGBMLPDRNZNX-NOZJJQNGSA-N 1 0 281.743 2.389 20 5 CEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000841103161 629123269 /nfs/dbraw/zinc/12/32/69/629123269.db2.gz MRKODCLISDSNBW-SECBINFHSA-N 1 0 298.730 2.074 20 5 CEBDRO Cc1nonc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954793 629292131 /nfs/dbraw/zinc/29/21/31/629292131.db2.gz JXGSARHULKGXKM-SECBINFHSA-N 1 0 276.296 2.180 20 5 CEBDRO [NH3+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261978040 629408418 /nfs/dbraw/zinc/40/84/18/629408418.db2.gz QZTLMVNGCVDAPG-JTQLQIEISA-N 1 0 269.732 2.171 20 5 CEBDRO CC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C[C@H](C)OC ZINC000894576690 629541881 /nfs/dbraw/zinc/54/18/81/629541881.db2.gz DMIHQPINXNBYRO-JTQLQIEISA-N 1 0 298.339 2.166 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(F)(F)CC2)cc1 ZINC000796539687 629927399 /nfs/dbraw/zinc/92/73/99/629927399.db2.gz CSZSPVKBOAPRNO-LBPRGKRZSA-N 1 0 286.278 2.359 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895940036 630412380 /nfs/dbraw/zinc/41/23/80/630412380.db2.gz DXNFZTLSIHCJTD-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000895940035 630412514 /nfs/dbraw/zinc/41/25/14/630412514.db2.gz DXNFZTLSIHCJTD-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896515575 630586804 /nfs/dbraw/zinc/58/68/04/630586804.db2.gz FTTJXSKFTZVXKX-CYBMUJFWSA-N 1 0 291.351 2.260 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609143 630611554 /nfs/dbraw/zinc/61/15/54/630611554.db2.gz WUNYKNUGJMQZMR-SECBINFHSA-N 1 0 298.339 2.212 20 5 CEBDRO CC(C)[C@@H](C(=O)OCCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000798841833 630938512 /nfs/dbraw/zinc/93/85/12/630938512.db2.gz PGEYFAQXHAZOHS-AWEZNQCLSA-N 1 0 294.351 2.267 20 5 CEBDRO COC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000897220401 630997921 /nfs/dbraw/zinc/99/79/21/630997921.db2.gz ARLKTEHGONXAOO-HIFPTAJRSA-N 1 0 296.371 2.003 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000801517348 631281414 /nfs/dbraw/zinc/28/14/14/631281414.db2.gz NQVZEXDKQUYLFT-ZDUSSCGKSA-N 1 0 293.342 2.402 20 5 CEBDRO CCOC(C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OCC ZINC000801600718 631298238 /nfs/dbraw/zinc/29/82/38/631298238.db2.gz TXRPQXLKOGECFS-UHFFFAOYSA-N 1 0 296.367 2.468 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C[NH+](C)C)n1 ZINC000897419968 631340463 /nfs/dbraw/zinc/34/04/63/631340463.db2.gz XQQSMMWDJFZHBJ-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO CCn1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000897458576 631528928 /nfs/dbraw/zinc/52/89/28/631528928.db2.gz BXKFEAUCHVQQAS-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H](C[NH2+]Cc1cncnc1)c1ccccc1[N+](=O)[O-] ZINC000897469639 631537289 /nfs/dbraw/zinc/53/72/89/631537289.db2.gz NVWNLEZYCRKQCL-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)C2)c1 ZINC000897960595 631992085 /nfs/dbraw/zinc/99/20/85/631992085.db2.gz WRNPNHCEMLAIFO-QCSWPLQGSA-N 1 0 276.340 2.273 20 5 CEBDRO CC[C@H](C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734670 632134485 /nfs/dbraw/zinc/13/44/85/632134485.db2.gz JLYKMDJGBCGYRR-NSHDSACASA-N 1 0 251.330 2.406 20 5 CEBDRO [NH3+]CCN(C[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000809734541 632134512 /nfs/dbraw/zinc/13/45/12/632134512.db2.gz GYBSWQXLJLECCV-LLVKDONJSA-N 1 0 281.381 2.113 20 5 CEBDRO CC[C@@H](C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734669 632134531 /nfs/dbraw/zinc/13/45/31/632134531.db2.gz JLYKMDJGBCGYRR-LLVKDONJSA-N 1 0 251.330 2.406 20 5 CEBDRO C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809746569 632139531 /nfs/dbraw/zinc/13/95/31/632139531.db2.gz XVABXXCVMCSGEK-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO Cc1c(C[NH2+][C@H]2COC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000898377658 632184686 /nfs/dbraw/zinc/18/46/86/632184686.db2.gz WPZJBCSVKUMTJK-KGLIPLIRSA-N 1 0 276.336 2.418 20 5 CEBDRO CCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989833792 632248787 /nfs/dbraw/zinc/24/87/87/632248787.db2.gz FWIMWGQPIYQADN-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000814173718 632799664 /nfs/dbraw/zinc/79/96/64/632799664.db2.gz ORHCUXLCZOXCPP-BXUZGUMPSA-N 1 0 295.770 2.384 20 5 CEBDRO COc1ccc([C@@H](C)CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000905140700 635843396 /nfs/dbraw/zinc/84/33/96/635843396.db2.gz VJDHMJWGMMSQLS-NSHDSACASA-N 1 0 252.314 2.055 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000814929621 632932706 /nfs/dbraw/zinc/93/27/06/632932706.db2.gz SZABJFLXUMJTNG-AOOOYVTPSA-N 1 0 294.311 2.032 20 5 CEBDRO CSCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553589 633031567 /nfs/dbraw/zinc/03/15/67/633031567.db2.gz DLADMJGWZMLWDS-QMMMGPOBSA-N 1 0 255.343 2.191 20 5 CEBDRO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597213 633035728 /nfs/dbraw/zinc/03/57/28/633035728.db2.gz POFLXVPTRYHSIX-LLVKDONJSA-N 1 0 293.367 2.380 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625713 633039977 /nfs/dbraw/zinc/03/99/77/633039977.db2.gz KPOJPFFQSAULND-PMVVWTBXSA-N 1 0 271.267 2.481 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625379 633040215 /nfs/dbraw/zinc/04/02/15/633040215.db2.gz BQZOKPDKMGIRDF-ZYHUDNBSSA-N 1 0 281.356 2.092 20 5 CEBDRO CC(C)(C)c1ccc(OCC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899861803 633056141 /nfs/dbraw/zinc/05/61/41/633056141.db2.gz ZBOGFZKXNZLUTD-UHFFFAOYSA-N 1 0 266.341 2.229 20 5 CEBDRO Cc1c(NC(=O)[C@@]23CC[N@H+](C2)CCC3)cccc1[N+](=O)[O-] ZINC000899936466 633136328 /nfs/dbraw/zinc/13/63/28/633136328.db2.gz WRZSEZQCIOOFHN-HNNXBMFYSA-N 1 0 289.335 2.328 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000817131512 633590348 /nfs/dbraw/zinc/59/03/48/633590348.db2.gz BNJGFHHUEZUSGO-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000817132073 633590451 /nfs/dbraw/zinc/59/04/51/633590451.db2.gz ZPZNMRMLSFQEJD-CYBMUJFWSA-N 1 0 263.341 2.434 20 5 CEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000817291046 633621698 /nfs/dbraw/zinc/62/16/98/633621698.db2.gz MIJXWCXPGPKDSB-CYBMUJFWSA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818967227 634020561 /nfs/dbraw/zinc/02/05/61/634020561.db2.gz ZQVGSQAZNGWROY-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CC(C)[NH2+]Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399697 634078464 /nfs/dbraw/zinc/07/84/64/634078464.db2.gz VJBXOBBSTTYOPH-UHFFFAOYSA-N 1 0 251.242 2.341 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000819200196 634102636 /nfs/dbraw/zinc/10/26/36/634102636.db2.gz SLBYPONELMNSNG-WJNVRWDZSA-N 1 0 294.351 2.174 20 5 CEBDRO CC[C@](C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819343944 634147577 /nfs/dbraw/zinc/14/75/77/634147577.db2.gz DIBJXMXPJDKDFR-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO COC1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819362744 634155124 /nfs/dbraw/zinc/15/51/24/634155124.db2.gz CAHTVDAXJYGGFG-PESDSKBTSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000819371368 634159896 /nfs/dbraw/zinc/15/98/96/634159896.db2.gz JCOCAIXJQPCYAH-OICBVUGWSA-N 1 0 294.351 2.031 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000903078049 634958998 /nfs/dbraw/zinc/95/89/98/634958998.db2.gz BYNFIHCRFZZGFN-DGCLKSJQSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903073734 634967787 /nfs/dbraw/zinc/96/77/87/634967787.db2.gz JZWPBMHYRGBOHM-SNVBAGLBSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903098994 634968469 /nfs/dbraw/zinc/96/84/69/634968469.db2.gz WUUDGONYQFPKRQ-ZJUUUORDSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CC2(O)CCC2)cc([N+](=O)[O-])c1 ZINC000903093809 634975227 /nfs/dbraw/zinc/97/52/27/634975227.db2.gz VFOOMEMSQOMSNH-SNVBAGLBSA-N 1 0 280.324 2.169 20 5 CEBDRO COc1cc([C@H](C)[NH2+]CCC[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903160222 634993753 /nfs/dbraw/zinc/99/37/53/634993753.db2.gz VIFUXJHBTSWCNP-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000822807677 635000170 /nfs/dbraw/zinc/00/01/70/635000170.db2.gz DCBKTIYXEPQPSG-SECBINFHSA-N 1 0 276.296 2.233 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244836 635026229 /nfs/dbraw/zinc/02/62/29/635026229.db2.gz FHKUUWRWPGIWER-IPYPFGDCSA-N 1 0 289.379 2.382 20 5 CEBDRO C[C@@H](C[NH2+][C@H](C)c1cnnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246180 635027578 /nfs/dbraw/zinc/02/75/78/635027578.db2.gz RVUVQMGTQLINAP-WDEREUQCSA-N 1 0 289.339 2.178 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)s1 ZINC000823069275 635059581 /nfs/dbraw/zinc/05/95/81/635059581.db2.gz LFEJUFAHKGIZHY-JVXZTZIISA-N 1 0 292.320 2.173 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823180150 635088431 /nfs/dbraw/zinc/08/84/31/635088431.db2.gz IPAFNKAAKLMXRL-STQMWFEESA-N 1 0 299.415 2.201 20 5 CEBDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903392979 635089526 /nfs/dbraw/zinc/08/95/26/635089526.db2.gz CMJVVUVBAYVVHH-QXEWZRGKSA-N 1 0 268.288 2.419 20 5 CEBDRO Cc1cc(-c2noc([C@H](C)[C@H](C)[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270624 635120251 /nfs/dbraw/zinc/12/02/51/635120251.db2.gz UGHAKNREJDNFBG-BDAKNGLRSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[C@@]32C[NH3+])cc1[N+](=O)[O-] ZINC000903859442 635310117 /nfs/dbraw/zinc/31/01/17/635310117.db2.gz NKKMPAFFKNQZBD-DZGCQCFKSA-N 1 0 275.352 2.216 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987807 635406658 /nfs/dbraw/zinc/40/66/58/635406658.db2.gz JVIAKEJRVJLKAA-NTZNESFSSA-N 1 0 263.341 2.243 20 5 CEBDRO CC1(C)C[NH2+]C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000904110008 635451915 /nfs/dbraw/zinc/45/19/15/635451915.db2.gz KBYCPDBBZXGYAU-SSDOTTSWSA-N 1 0 294.336 2.419 20 5 CEBDRO CC(C)(C)c1cccc(OCC[NH2+]CC[N+](=O)[O-])c1 ZINC000905116338 635824497 /nfs/dbraw/zinc/82/44/97/635824497.db2.gz BOWJIKMSWZEZAD-UHFFFAOYSA-N 1 0 266.341 2.229 20 5 CEBDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905156237 635832578 /nfs/dbraw/zinc/83/25/78/635832578.db2.gz XZNCJBXUOGMLDC-TVQRCGJNSA-N 1 0 252.289 2.315 20 5 CEBDRO CC(C)c1ccc(O[C@H](C)C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905255409 636176893 /nfs/dbraw/zinc/17/68/93/636176893.db2.gz HMCGKNWDTIRBLD-GFCCVEGCSA-N 1 0 266.341 2.444 20 5 CEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NCC[N+](=O)[O-])cc2)C1 ZINC000905327428 636225509 /nfs/dbraw/zinc/22/55/09/636225509.db2.gz HGMIXRKRFJKUHV-ZDUSSCGKSA-N 1 0 293.367 2.096 20 5 CEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)c1c(Cl)cccc1Cl ZINC000905365871 636246811 /nfs/dbraw/zinc/24/68/11/636246811.db2.gz REJQXASGFCQTEY-CPCISQLKSA-N 1 0 293.150 2.282 20 5 CEBDRO C[C@@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905586399 636342663 /nfs/dbraw/zinc/34/26/63/636342663.db2.gz CWXCDIGLPYGHNB-GJZGRUSLSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H](C[NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000905642692 636378709 /nfs/dbraw/zinc/37/87/09/636378709.db2.gz HWRXJDHZRCJBHT-NOZJJQNGSA-N 1 0 288.294 2.304 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253968 636869476 /nfs/dbraw/zinc/86/94/76/636869476.db2.gz RZTRXSMQWPQQHL-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO Cn1cc(C[NH+]2CCCCCCC2)c([N+](=O)[O-])n1 ZINC000876528794 650305589 /nfs/dbraw/zinc/30/55/89/650305589.db2.gz ZLRJHDFEWRMIOO-UHFFFAOYSA-N 1 0 252.318 2.094 20 5 CEBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876538204 650311146 /nfs/dbraw/zinc/31/11/46/650311146.db2.gz FFDGONKYVUISDR-GFCCVEGCSA-N 1 0 299.330 2.311 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000831338531 637291662 /nfs/dbraw/zinc/29/16/62/637291662.db2.gz KJMFICLPOVNBSH-BFHYXJOUSA-N 1 0 294.351 2.031 20 5 CEBDRO CSCC[C@H]([NH3+])CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000911907464 638475340 /nfs/dbraw/zinc/47/53/40/638475340.db2.gz ZGLMETYFEFMEIG-JTQLQIEISA-N 1 0 297.380 2.312 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911907293 638475570 /nfs/dbraw/zinc/47/55/70/638475570.db2.gz WHFGHRJSYHALMV-SNVBAGLBSA-N 1 0 265.313 2.297 20 5 CEBDRO CSCC[C@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000911957222 638496868 /nfs/dbraw/zinc/49/68/68/638496868.db2.gz PDUOLESVBHTWRX-JTQLQIEISA-N 1 0 297.380 2.312 20 5 CEBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1CC1 ZINC000876790992 650433214 /nfs/dbraw/zinc/43/32/14/650433214.db2.gz HGHWVEWPPGNYPZ-OAHLLOKOSA-N 1 0 299.330 2.215 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876823399 650447083 /nfs/dbraw/zinc/44/70/83/650447083.db2.gz IJUYNNFCOZYAKD-GFCCVEGCSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876860449 650462127 /nfs/dbraw/zinc/46/21/27/650462127.db2.gz BBGLMKGTJCWRPP-ZJUUUORDSA-N 1 0 287.319 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000924852667 639178133 /nfs/dbraw/zinc/17/81/33/639178133.db2.gz KLHOGIMHNNYAFE-AWEZNQCLSA-N 1 0 292.335 2.023 20 5 CEBDRO CC(C)COCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876901591 650478998 /nfs/dbraw/zinc/47/89/98/650478998.db2.gz FQGCOTOLEIJVCK-UHFFFAOYSA-N 1 0 296.371 2.147 20 5 CEBDRO CC[C@@H]([NH2+]C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000044626038 639348760 /nfs/dbraw/zinc/34/87/60/639348760.db2.gz KBSKXERQEKMSMM-SNVBAGLBSA-N 1 0 262.269 2.315 20 5 CEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000228082609 639614446 /nfs/dbraw/zinc/61/44/46/639614446.db2.gz VOYNEQAAHSPRAK-DTWKUNHWSA-N 1 0 272.732 2.497 20 5 CEBDRO CC(C)[C@H]([NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841028463 639621229 /nfs/dbraw/zinc/62/12/29/639621229.db2.gz GHYDTYFZVWATPJ-LLVKDONJSA-N 1 0 271.748 2.321 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000841033601 639626546 /nfs/dbraw/zinc/62/65/46/639626546.db2.gz XAAOGILTRAYMKF-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841062262 639638145 /nfs/dbraw/zinc/63/81/45/639638145.db2.gz VBXXYMNTUQVEGO-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064080 639639588 /nfs/dbraw/zinc/63/95/88/639639588.db2.gz PABNSEHPPHFDPX-ZANVPECISA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000228559744 639644258 /nfs/dbraw/zinc/64/42/58/639644258.db2.gz MJABBTFVOYGBFS-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000228559787 639644511 /nfs/dbraw/zinc/64/45/11/639644511.db2.gz IPANAQDFWNFCKD-VIFPVBQESA-N 1 0 274.280 2.112 20 5 CEBDRO CC(C)([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233101 639713927 /nfs/dbraw/zinc/71/39/27/639713927.db2.gz KYWFXERWRJGKTD-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H](C)[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000229808003 639719941 /nfs/dbraw/zinc/71/99/41/639719941.db2.gz LPNCZVQBNSJPAB-GIGQVBGESA-N 1 0 284.381 2.150 20 5 CEBDRO C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000172494333 639768796 /nfs/dbraw/zinc/76/87/96/639768796.db2.gz MIFFHFAKJARFGW-NSHDSACASA-N 1 0 290.323 2.013 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063167997 639836469 /nfs/dbraw/zinc/83/64/69/639836469.db2.gz PNECBMDENNTQSJ-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO Cc1ncsc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877015334 650532026 /nfs/dbraw/zinc/53/20/26/650532026.db2.gz MEWVOBZJCJRIIA-UHFFFAOYSA-N 1 0 293.352 2.050 20 5 CEBDRO Cc1c(C[NH2+]CCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000231885132 639882006 /nfs/dbraw/zinc/88/20/06/639882006.db2.gz CCFRLSLWXBRSSR-UHFFFAOYSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H]1C[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC[N@@H+]1C ZINC000842503392 640083700 /nfs/dbraw/zinc/08/37/00/640083700.db2.gz AXVQLTBGGXMZRJ-QWRGUYRKSA-N 1 0 296.371 2.255 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000843058721 640261306 /nfs/dbraw/zinc/26/13/06/640261306.db2.gz WYERFQKHXMRHJB-ZJUUUORDSA-N 1 0 283.759 2.430 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843076155 640270088 /nfs/dbraw/zinc/27/00/88/640270088.db2.gz QUELMMFRJPIHAG-LSDHHAIUSA-N 1 0 296.367 2.015 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843076154 640270450 /nfs/dbraw/zinc/27/04/50/640270450.db2.gz QUELMMFRJPIHAG-HUUCEWRRSA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000843127424 640294565 /nfs/dbraw/zinc/29/45/65/640294565.db2.gz QZUPQGXIWOJIOV-AAEUAGOBSA-N 1 0 295.770 2.432 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000843149737 640309006 /nfs/dbraw/zinc/30/90/06/640309006.db2.gz PCKFHFFWVXDFIB-CYBMUJFWSA-N 1 0 290.323 2.419 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000877096737 650570574 /nfs/dbraw/zinc/57/05/74/650570574.db2.gz PFXDDNAQQMJQEH-QMMMGPOBSA-N 1 0 293.348 2.229 20 5 CEBDRO Cc1ccc(-c2noc([C@]3(F)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843178626 640328573 /nfs/dbraw/zinc/32/85/73/640328573.db2.gz IDAOEJMJADAUBM-ZDUSSCGKSA-N 1 0 292.270 2.111 20 5 CEBDRO Cc1ccc(-c2noc([C@@]3(C)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843178640 640329307 /nfs/dbraw/zinc/32/93/07/640329307.db2.gz INHYBXDYPBPICD-AWEZNQCLSA-N 1 0 288.307 2.204 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000843188110 640339764 /nfs/dbraw/zinc/33/97/64/640339764.db2.gz YMBFDKCJBWDADQ-SNVBAGLBSA-N 1 0 288.307 2.248 20 5 CEBDRO C[C@@](C[NH3+])(NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000843356301 640401517 /nfs/dbraw/zinc/40/15/17/640401517.db2.gz TWKJPBFUETVVTF-ZDUSSCGKSA-N 1 0 283.759 2.465 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844374910 640698465 /nfs/dbraw/zinc/69/84/65/640698465.db2.gz MGBLNJZQGQSKQI-NILFDRSVSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000184417087 641861254 /nfs/dbraw/zinc/86/12/54/641861254.db2.gz NHBPRSYAVNIWFG-LLVKDONJSA-N 1 0 280.324 2.399 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1ccco1 ZINC000848523099 642032143 /nfs/dbraw/zinc/03/21/43/642032143.db2.gz ZRVKUODKFYCREF-OCCSQVGLSA-N 1 0 288.303 2.498 20 5 CEBDRO CC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])OCCO1 ZINC000848546213 642046314 /nfs/dbraw/zinc/04/63/14/642046314.db2.gz VJORACKEFMIVPO-ZDUSSCGKSA-N 1 0 292.335 2.325 20 5 CEBDRO Cc1ccc(-c2noc(CC[NH2+]C3CC3)n2)cc1[N+](=O)[O-] ZINC000848622037 642077266 /nfs/dbraw/zinc/07/72/66/642077266.db2.gz RGGSSLYVPNCFPM-UHFFFAOYSA-N 1 0 288.307 2.248 20 5 CEBDRO C[C@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877459338 650728116 /nfs/dbraw/zinc/72/81/16/650728116.db2.gz HZRJYQXXWTWYQI-JYBOHDQNSA-N 1 0 264.329 2.273 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899162 643215310 /nfs/dbraw/zinc/21/53/10/643215310.db2.gz YSICFBZSHPIUPP-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000852096552 643299740 /nfs/dbraw/zinc/29/97/40/643299740.db2.gz LTMJXBYYMSFJKL-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242763 643720047 /nfs/dbraw/zinc/72/00/47/643720047.db2.gz WSYMAMOZGTZHCH-WDEREUQCSA-N 1 0 297.380 2.240 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3C[C@H]3C(F)(F)F)C2)c1 ZINC000877703559 650861057 /nfs/dbraw/zinc/86/10/57/650861057.db2.gz OMDMVFUVJPSDRT-DEWLHEKISA-N 1 0 290.245 2.035 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923503423 643739862 /nfs/dbraw/zinc/73/98/62/643739862.db2.gz IBMKVEPBGSLQEB-VXGBXAGGSA-N 1 0 263.341 2.012 20 5 CEBDRO COC(=O)C1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877721714 650870343 /nfs/dbraw/zinc/87/03/43/650870343.db2.gz ZVWXAZJHFXDODF-XQRVVYSFSA-N 1 0 290.319 2.149 20 5 CEBDRO CCn1ncc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000838968739 644100792 /nfs/dbraw/zinc/10/07/92/644100792.db2.gz QDYDDXKMHWEVIR-LLVKDONJSA-N 1 0 289.339 2.365 20 5 CEBDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877753756 650897928 /nfs/dbraw/zinc/89/79/28/650897928.db2.gz RWCLFPJKELUMQY-CYBMUJFWSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855417725 644337256 /nfs/dbraw/zinc/33/72/56/644337256.db2.gz NSHJHXIFGVYEKR-SECBINFHSA-N 1 0 297.330 2.112 20 5 CEBDRO COC1([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000839658121 644765881 /nfs/dbraw/zinc/76/58/81/644765881.db2.gz BARYRPDBYOKLSU-BXUZGUMPSA-N 1 0 294.351 2.175 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873276 645087576 /nfs/dbraw/zinc/08/75/76/645087576.db2.gz JQOVQMDKTPIUEQ-UHFFFAOYSA-N 1 0 270.716 2.203 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000761099021 645240123 /nfs/dbraw/zinc/24/01/23/645240123.db2.gz XISXODIHCPVMJC-GXFFZTMASA-N 1 0 275.308 2.018 20 5 CEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000858823698 645263520 /nfs/dbraw/zinc/26/35/20/645263520.db2.gz YGTXQAGSVCVKBS-VHSXEESVSA-N 1 0 267.304 2.311 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860064773 645688807 /nfs/dbraw/zinc/68/88/07/645688807.db2.gz DAYSWHDMCGEKGN-AWEZNQCLSA-N 1 0 296.367 2.111 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000770192789 646367554 /nfs/dbraw/zinc/36/75/54/646367554.db2.gz UJBAJVGESZJDGC-UHFFFAOYSA-N 1 0 284.287 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC[C@H]1C ZINC000771235527 646503120 /nfs/dbraw/zinc/50/31/20/646503120.db2.gz XIPBXTRVHWWBCK-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC000773990914 646793350 /nfs/dbraw/zinc/79/33/50/646793350.db2.gz QEFJOLIGFIJDEJ-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC000863921898 646851211 /nfs/dbraw/zinc/85/12/11/646851211.db2.gz IEZXVGCETDRZKQ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)CCC[NH+](C)C)c1 ZINC000775683708 646981052 /nfs/dbraw/zinc/98/10/52/646981052.db2.gz ZOXCYXZEOZCRAE-UHFFFAOYSA-N 1 0 285.319 2.130 20 5 CEBDRO CCC(CC)NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000864450695 647006600 /nfs/dbraw/zinc/00/66/00/647006600.db2.gz CDYRPWBAMFUAIK-UHFFFAOYSA-N 1 0 264.329 2.397 20 5 CEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000776580329 647073686 /nfs/dbraw/zinc/07/36/86/647073686.db2.gz UMKVVHZSUGRJLJ-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590127 647076182 /nfs/dbraw/zinc/07/61/82/647076182.db2.gz YJVSGLOPCNSROA-ZWNOBZJWSA-N 1 0 250.298 2.113 20 5 CEBDRO COc1cccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206150 647669352 /nfs/dbraw/zinc/66/93/52/647669352.db2.gz BSGYRDQHIVNUPD-RYUDHWBXSA-N 1 0 291.351 2.134 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000866206100 647669819 /nfs/dbraw/zinc/66/98/19/647669819.db2.gz JCQQLIFKAZCJDX-MFKMUULPSA-N 1 0 279.315 2.264 20 5 CEBDRO CO[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783018906 647670686 /nfs/dbraw/zinc/67/06/86/647670686.db2.gz TXWBCYPGGQJPAU-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1cccc(C[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000866307834 647728925 /nfs/dbraw/zinc/72/89/25/647728925.db2.gz KVMSTKFOGIYDLC-CYBMUJFWSA-N 1 0 288.351 2.321 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCO ZINC000866348764 647749192 /nfs/dbraw/zinc/74/91/92/647749192.db2.gz DYBPMFWVTXVGBQ-JTQLQIEISA-N 1 0 270.304 2.027 20 5 CEBDRO Cc1nn(C[N@H+](C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000784013700 647787084 /nfs/dbraw/zinc/78/70/84/647787084.db2.gz ITXWOPNXKSDMCU-GFCCVEGCSA-N 1 0 264.329 2.345 20 5 CEBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000784033958 647791475 /nfs/dbraw/zinc/79/14/75/647791475.db2.gz IIZYTXDRVYXHBR-SNVBAGLBSA-N 1 0 252.318 2.117 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000866489248 647802674 /nfs/dbraw/zinc/80/26/74/647802674.db2.gz HKPNEVNXYGBENB-LQJRIPTKSA-N 1 0 282.315 2.168 20 5 CEBDRO Cc1c(C(=O)N[C@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000867999925 648015910 /nfs/dbraw/zinc/01/59/10/648015910.db2.gz AEFKJGMJQOMGKA-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788586204 648204766 /nfs/dbraw/zinc/20/47/66/648204766.db2.gz ZDJFFAMNOPODTH-SNVBAGLBSA-N 1 0 279.340 2.254 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1OCC[C@H]1CC[NH2+]C1 ZINC000122508681 648397958 /nfs/dbraw/zinc/39/79/58/648397958.db2.gz TVPSWRQEJJDLLA-SECBINFHSA-N 1 0 254.261 2.112 20 5 CEBDRO C[C@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037193 649249411 /nfs/dbraw/zinc/24/94/11/649249411.db2.gz BVCQEMSFUOWGRD-RKDXNWHRSA-N 1 0 256.277 2.155 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000872126401 649285490 /nfs/dbraw/zinc/28/54/90/649285490.db2.gz MKPGVPZKUDZUFZ-KCPJHIHWSA-N 1 0 290.363 2.276 20 5 CEBDRO C[N@H+](CCCCCC[NH3+])Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000872155507 649299468 /nfs/dbraw/zinc/29/94/68/649299468.db2.gz NUNUGTCGPGYQTI-UHFFFAOYSA-N 1 0 281.356 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCO1 ZINC000873007376 649529516 /nfs/dbraw/zinc/52/95/16/649529516.db2.gz OCSVQCXHINJSRF-GFCCVEGCSA-N 1 0 264.325 2.480 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC(=O)N(C)C ZINC000873027229 649535974 /nfs/dbraw/zinc/53/59/74/649535974.db2.gz NYNYYBDPNDXRFQ-UHFFFAOYSA-N 1 0 293.367 2.170 20 5 CEBDRO Cc1c(C[NH2+]CCOC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873050518 649543925 /nfs/dbraw/zinc/54/39/25/649543925.db2.gz PGDQQCNICJJWRJ-AWEZNQCLSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000873057734 649545888 /nfs/dbraw/zinc/54/58/88/649545888.db2.gz ZGLCPMUGZDMYJM-AAEUAGOBSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1c(C[NH2+]CCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873075354 649552638 /nfs/dbraw/zinc/55/26/38/649552638.db2.gz YMECMVPEEVCMPS-CQSZACIVSA-N 1 0 294.351 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@@H](C)O ZINC000873115084 649560347 /nfs/dbraw/zinc/56/03/47/649560347.db2.gz BQGFCLCJDWWAFB-LLVKDONJSA-N 1 0 266.341 2.462 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000873161287 649575568 /nfs/dbraw/zinc/57/55/68/649575568.db2.gz NPUZLNQVYKXUNU-JTQLQIEISA-N 1 0 296.298 2.167 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000873163279 649576062 /nfs/dbraw/zinc/57/60/62/649576062.db2.gz NYQHWOMCWYBPMM-LBPRGKRZSA-N 1 0 278.308 2.028 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000873161816 649576245 /nfs/dbraw/zinc/57/62/45/649576245.db2.gz CIGZKSFAVLCUKT-SNVBAGLBSA-N 1 0 284.337 2.089 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322454 651285565 /nfs/dbraw/zinc/28/55/65/651285565.db2.gz TYUAWSOFUUYDRA-KCPJHIHWSA-N 1 0 294.351 2.128 20 5 CEBDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000880135138 651388824 /nfs/dbraw/zinc/38/88/24/651388824.db2.gz ZWCRSXLNGBVXEB-JKSUJKDBSA-N 1 0 289.379 2.306 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H](CF)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000880298263 651418762 /nfs/dbraw/zinc/41/87/62/651418762.db2.gz WPFUREPJVXUKCD-NSHDSACASA-N 1 0 295.314 2.215 20 5 CEBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435856 651440593 /nfs/dbraw/zinc/44/05/93/651440593.db2.gz WASZQTVTPKIMPR-UKRRQHHQSA-N 1 0 294.351 2.139 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881963663 651926470 /nfs/dbraw/zinc/92/64/70/651926470.db2.gz CYJIIXYZSMLJAB-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccnc(F)c3[N+](=O)[O-])C2)C1 ZINC000882400666 652057603 /nfs/dbraw/zinc/05/76/03/652057603.db2.gz KBNICJAFIFACHO-CQSZACIVSA-N 1 0 294.330 2.051 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C1CC1 ZINC000883002874 652318082 /nfs/dbraw/zinc/31/80/82/652318082.db2.gz QYKTVAOCTVHSGY-OCOPJHETSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883268376 652418801 /nfs/dbraw/zinc/41/88/01/652418801.db2.gz JSCVYEGTNNSSCI-AWEZNQCLSA-N 1 0 290.319 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)c1C ZINC000884365126 652816815 /nfs/dbraw/zinc/81/68/15/652816815.db2.gz DRLAFQHAUKTEGB-RYUDHWBXSA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CC=CCC2)cc1 ZINC000134757745 652872768 /nfs/dbraw/zinc/87/27/68/652872768.db2.gz LLAAHJCTHJVTEL-GXTWGEPZSA-N 1 0 262.309 2.327 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164638692 719179395 /nfs/dbraw/zinc/17/93/95/719179395.db2.gz RGGIASICOAKTBK-UWVGGRQHSA-N 1 0 298.774 2.480 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1Cl ZINC001164641411 719181424 /nfs/dbraw/zinc/18/14/24/719181424.db2.gz WBUSJUVLZPSPKX-ZJUUUORDSA-N 1 0 298.774 2.480 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001164640144 719184763 /nfs/dbraw/zinc/18/47/63/719184763.db2.gz UTRZOMCMHMWUJW-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265200924 721854000 /nfs/dbraw/zinc/85/40/00/721854000.db2.gz MWTOYSYKUORGJX-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)n1 ZINC000611616101 721934705 /nfs/dbraw/zinc/93/47/05/721934705.db2.gz PILYZAWHRKVKHX-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO Cc1nc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000548687497 721942516 /nfs/dbraw/zinc/94/25/16/721942516.db2.gz XDCLOQPSZDIZPT-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[NH+]1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226917235 805792405 /nfs/dbraw/zinc/79/24/05/805792405.db2.gz JRXGGKTWNVYAIQ-UHFFFAOYSA-N 1 0 271.704 2.116 20 5 CEBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH3+] ZINC000714241848 806090334 /nfs/dbraw/zinc/09/03/34/806090334.db2.gz DYGMKCYGBYDEBX-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227987878 806102828 /nfs/dbraw/zinc/10/28/28/806102828.db2.gz LEVSMTLEWQWLDB-JTQLQIEISA-N 1 0 253.302 2.099 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697085279 806169195 /nfs/dbraw/zinc/16/91/95/806169195.db2.gz IFASUEJUOCYPDS-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228935930 806363905 /nfs/dbraw/zinc/36/39/05/806363905.db2.gz LKRKJNCTPGXUTN-UHFFFAOYSA-N 1 0 271.704 2.116 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226433 806422098 /nfs/dbraw/zinc/42/20/98/806422098.db2.gz JQJAJBWFFOKZFU-PWSUYJOCSA-N 1 0 283.303 2.105 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001167275584 802622490 /nfs/dbraw/zinc/62/24/90/802622490.db2.gz TUOMNLNFXIGDSR-NSHDSACASA-N 1 0 290.298 2.398 20 5 CEBDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000724880326 803330450 /nfs/dbraw/zinc/33/04/50/803330450.db2.gz PCBRATBVKWISQX-ZLKJLUDKSA-N 1 0 280.324 2.049 20 5 CEBDRO CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712532688 814763953 /nfs/dbraw/zinc/76/39/53/814763953.db2.gz YITALNRCAFQDTJ-SECBINFHSA-N 1 0 255.705 2.364 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000712558550 814766913 /nfs/dbraw/zinc/76/69/13/814766913.db2.gz QXFRKYGMZMLIIT-JTQLQIEISA-N 1 0 272.308 2.259 20 5 CEBDRO Cc1c(O[C@H]2CCCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001217968083 803520006 /nfs/dbraw/zinc/52/00/06/803520006.db2.gz IJYBTZLTUKSKIV-NSHDSACASA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000694696174 803580255 /nfs/dbraw/zinc/58/02/55/803580255.db2.gz XVGMNHCFDDSEPM-QMTHXVAHSA-N 1 0 282.315 2.184 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000692810108 803927680 /nfs/dbraw/zinc/92/76/80/803927680.db2.gz GZCQJODDQKPJOX-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO COc1cc(F)c(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001234237451 807584039 /nfs/dbraw/zinc/58/40/39/807584039.db2.gz UAUXQHBVSPHKLO-SECBINFHSA-N 1 0 260.304 2.447 20 5 CEBDRO Cc1[nH+]c(C)n(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC001119559704 815131351 /nfs/dbraw/zinc/13/13/51/815131351.db2.gz ICWAMDHXVSSDFF-AWEZNQCLSA-N 1 0 275.308 2.450 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000699439202 807706384 /nfs/dbraw/zinc/70/63/84/807706384.db2.gz OFGQZQDMLMOBHS-TZMCWYRMSA-N 1 0 264.325 2.152 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1cc([N+](=O)[O-])ccc1Cl ZINC001171450461 815167682 /nfs/dbraw/zinc/16/76/82/815167682.db2.gz QVJOOHYACZENGB-UHFFFAOYSA-N 1 0 279.687 2.241 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCO2 ZINC000028078593 809207774 /nfs/dbraw/zinc/20/77/74/809207774.db2.gz LTBNXORNMFIZBN-GFCCVEGCSA-N 1 0 292.335 2.495 20 5 CEBDRO [NH3+]CCCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000700547395 809321712 /nfs/dbraw/zinc/32/17/12/809321712.db2.gz BYXBZZBOBJVQKB-UHFFFAOYSA-N 1 0 280.328 2.235 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700603444 809331145 /nfs/dbraw/zinc/33/11/45/809331145.db2.gz VVBSFCPBMGRWGH-NXEZZACHSA-N 1 0 297.742 2.248 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000700626436 809333376 /nfs/dbraw/zinc/33/33/76/809333376.db2.gz VZHBRNWUKSYJFN-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000700627720 809333481 /nfs/dbraw/zinc/33/34/81/809333481.db2.gz JTZVEHIWJIRVTO-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000700627719 809333622 /nfs/dbraw/zinc/33/36/22/809333622.db2.gz JTZVEHIWJIRVTO-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701047172 809382983 /nfs/dbraw/zinc/38/29/83/809382983.db2.gz SKXDBAQXMMCHRE-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC1(C)[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000701042061 809384168 /nfs/dbraw/zinc/38/41/68/809384168.db2.gz LPBHUNYNCDNXGN-VHSXEESVSA-N 1 0 297.742 2.104 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701067646 809384520 /nfs/dbraw/zinc/38/45/20/809384520.db2.gz FXVYPDSVMUNMMN-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000701469692 809433099 /nfs/dbraw/zinc/43/30/99/809433099.db2.gz FFUPAQBQGCOTFN-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000702066388 809492055 /nfs/dbraw/zinc/49/20/55/809492055.db2.gz NRNOXPUIYIQMMX-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+](C)C ZINC001163776982 810193076 /nfs/dbraw/zinc/19/30/76/810193076.db2.gz QASIPYJMXUWGKM-SNVBAGLBSA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252644 815396061 /nfs/dbraw/zinc/39/60/61/815396061.db2.gz WFQGFTQFIDETAV-YPMHNXCESA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154974362 810864936 /nfs/dbraw/zinc/86/49/36/810864936.db2.gz DGBLLYGEPCIBQN-YUMQZZPRSA-N 1 0 285.735 2.028 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1Cl ZINC000712295989 811181305 /nfs/dbraw/zinc/18/13/05/811181305.db2.gz RABMPRHKZQVFJI-UHIISALHSA-N 1 0 296.754 2.451 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976172 811305354 /nfs/dbraw/zinc/30/53/54/811305354.db2.gz ZCANGLSKSPCCQB-GHMZBOCLSA-N 1 0 280.299 2.043 20 5 CEBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168978271 811306213 /nfs/dbraw/zinc/30/62/13/811306213.db2.gz QNZICKWXRCCLDU-UONOGXRCSA-N 1 0 278.352 2.273 20 5 CEBDRO Cc1ccc(CCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168977739 811307088 /nfs/dbraw/zinc/30/70/88/811307088.db2.gz LNXRVDRWPKYPJT-GJZGRUSLSA-N 1 0 277.368 2.358 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982850 811309489 /nfs/dbraw/zinc/30/94/89/811309489.db2.gz JCWINVJROXVWBL-UHIISALHSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC001168984970 811311411 /nfs/dbraw/zinc/31/14/11/811311411.db2.gz RHOSJQNCACQIOH-ITDIGPHOSA-N 1 0 276.336 2.415 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1OC ZINC001168958525 811312519 /nfs/dbraw/zinc/31/25/19/811312519.db2.gz NUHPMXXFYZFUAO-YPMHNXCESA-N 1 0 294.351 2.239 20 5 CEBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168964758 811316773 /nfs/dbraw/zinc/31/67/73/811316773.db2.gz VXOQNVFQRHTPLA-MJVIPROJSA-N 1 0 289.335 2.023 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC001168965901 811316793 /nfs/dbraw/zinc/31/67/93/811316793.db2.gz DHVUAMTVOMQRJA-BNOWGMLFSA-N 1 0 276.336 2.025 20 5 CEBDRO COC(=O)C1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168965519 811317014 /nfs/dbraw/zinc/31/70/14/811317014.db2.gz AGGZTZRYQKSTDZ-YIOUJQMASA-N 1 0 298.383 2.001 20 5 CEBDRO COc1ccc(OCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965552 811317460 /nfs/dbraw/zinc/31/74/60/811317460.db2.gz AMQYGABNSRIPAN-QWHCGFSZSA-N 1 0 294.351 2.109 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)COC2)C1 ZINC001168972551 811321503 /nfs/dbraw/zinc/32/15/03/811321503.db2.gz NIAYEQBJPSGDTP-BXUZGUMPSA-N 1 0 294.326 2.086 20 5 CEBDRO CCOC1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999736 811326576 /nfs/dbraw/zinc/32/65/76/811326576.db2.gz UUBLYGCHIRYFQW-RJZJGCCBSA-N 1 0 270.373 2.369 20 5 CEBDRO CCC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997749 811327048 /nfs/dbraw/zinc/32/70/48/811327048.db2.gz FKEPMJYVJZIQHQ-QWHCGFSZSA-N 1 0 270.373 2.228 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cncc(F)c1 ZINC001169005475 811329660 /nfs/dbraw/zinc/32/96/60/811329660.db2.gz UUIDKONDZPDWAF-BREBYQMCSA-N 1 0 267.304 2.317 20 5 CEBDRO Cc1ncsc1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004148 811330937 /nfs/dbraw/zinc/33/09/37/811330937.db2.gz QCSKUBIDHVTVHB-QWRGUYRKSA-N 1 0 269.370 2.029 20 5 CEBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011989 811333472 /nfs/dbraw/zinc/33/34/72/811333472.db2.gz OKGRCPACKHZNKJ-USZNOCQGSA-N 1 0 262.300 2.204 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCCO3)C1 ZINC001169013453 811334268 /nfs/dbraw/zinc/33/42/68/811334268.db2.gz VIAQTVSHTJICKD-RDBSUJKOSA-N 1 0 268.357 2.077 20 5 CEBDRO COCCc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168987475 811336779 /nfs/dbraw/zinc/33/67/79/811336779.db2.gz IYILSVFCJHXJQC-CVEARBPZSA-N 1 0 292.379 2.411 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1Cl ZINC001168990494 811340403 /nfs/dbraw/zinc/34/04/03/811340403.db2.gz ZQCJILKLLALCBY-BDAKNGLRSA-N 1 0 282.731 2.095 20 5 CEBDRO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040367 811349937 /nfs/dbraw/zinc/34/99/37/811349937.db2.gz ZJSZUSSNISEEAL-NWDGAFQWSA-N 1 0 286.372 2.095 20 5 CEBDRO COc1cccc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169191918 811424028 /nfs/dbraw/zinc/42/40/28/811424028.db2.gz KGNGWUQBVUNWPR-UHFFFAOYSA-N 1 0 298.302 2.401 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001169233265 811447505 /nfs/dbraw/zinc/44/75/05/811447505.db2.gz PQVSHEFEIKZPCA-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO CC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045338740 811595632 /nfs/dbraw/zinc/59/56/32/811595632.db2.gz MWZGYTWBDDOICH-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CCSC)c([N+](=O)[O-])c1 ZINC001170297870 812376960 /nfs/dbraw/zinc/37/69/60/812376960.db2.gz UQWHKVLZASITNT-JTQLQIEISA-N 1 0 284.381 2.487 20 5 CEBDRO CO[C@H](C)C1C[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254564693 812485150 /nfs/dbraw/zinc/48/51/50/812485150.db2.gz MJWWEUIYOVWMEI-VXGBXAGGSA-N 1 0 278.352 2.493 20 5 CEBDRO C[C@@H](CO)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901002 815539326 /nfs/dbraw/zinc/53/93/26/815539326.db2.gz FJWDJWUYIDOLQB-IUODEOHRSA-N 1 0 292.379 2.450 20 5 CEBDRO CC(C)N(c1nccc(Cl)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158021120 812593163 /nfs/dbraw/zinc/59/31/63/812593163.db2.gz GNSQPLQHZVGFEP-VIFPVBQESA-N 1 0 284.747 2.220 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCO1)CC2 ZINC001172899197 815539983 /nfs/dbraw/zinc/53/99/83/815539983.db2.gz LYOUIJONHBFQGQ-UKRRQHHQSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(COC3)C1)CC2 ZINC001172908737 815540610 /nfs/dbraw/zinc/54/06/10/815540610.db2.gz NCSCOLKKRHIATL-CQSZACIVSA-N 1 0 288.347 2.174 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC001158756689 812967549 /nfs/dbraw/zinc/96/75/49/812967549.db2.gz DJKJQVZUOFZMBP-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO C[NH+]1CC(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001159219208 813298233 /nfs/dbraw/zinc/29/82/33/813298233.db2.gz XLVYIAYRVSXPGQ-UHFFFAOYSA-N 1 0 272.308 2.117 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001135443225 813436940 /nfs/dbraw/zinc/43/69/40/813436940.db2.gz WYKXTSFYJCTXCA-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO COc1cc(C)nc(NCC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC001160964482 814290244 /nfs/dbraw/zinc/29/02/44/814290244.db2.gz OZXVLROQECLGBB-LLVKDONJSA-N 1 0 294.355 2.203 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCOC2)c1F ZINC001173176895 815617194 /nfs/dbraw/zinc/61/71/94/815617194.db2.gz NKZFMJDYEMYGJB-NXEZZACHSA-N 1 0 298.314 2.052 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000714612767 814904406 /nfs/dbraw/zinc/90/44/06/814904406.db2.gz HCDUFINGCWGXRT-AULYBMBSSA-N 1 0 264.325 2.418 20 5 CEBDRO CCOCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217218 815623196 /nfs/dbraw/zinc/62/31/96/815623196.db2.gz QPVUSVJAQRKLCR-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN(C)C ZINC001173225323 815629984 /nfs/dbraw/zinc/62/99/84/815629984.db2.gz JKEVVGJKGFXUPU-GFCCVEGCSA-N 1 0 265.357 2.019 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)C[C@H]1C ZINC001173231280 815633204 /nfs/dbraw/zinc/63/32/04/815633204.db2.gz AUBAGUVOJWQVTP-JMSVASOKSA-N 1 0 278.352 2.371 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cn(C)cn1 ZINC001173210017 815635621 /nfs/dbraw/zinc/63/56/21/815635621.db2.gz GQCDZXWBUWZNTC-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(C[NH3+])n1 ZINC001173213571 815636499 /nfs/dbraw/zinc/63/64/99/815636499.db2.gz IUDFQFJNGZBYQU-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CN(C)C ZINC001173213682 815636826 /nfs/dbraw/zinc/63/68/26/815636826.db2.gz JUKWPAAKHAXXPD-NEPJUHHUSA-N 1 0 265.357 2.066 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC001175734382 816271813 /nfs/dbraw/zinc/27/18/13/816271813.db2.gz GWAGDXNZQAJXIY-UHFFFAOYSA-N 1 0 293.302 2.236 20 5 CEBDRO CC[N@H+](C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001177043920 816511792 /nfs/dbraw/zinc/51/17/92/816511792.db2.gz HTACFAGYDWPLGT-AWEZNQCLSA-N 1 0 263.341 2.121 20 5 CEBDRO C[N@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC001142386625 816664967 /nfs/dbraw/zinc/66/49/67/816664967.db2.gz NTBVUUKERYRXER-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CCOC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000124487255 187139372 /nfs/dbraw/zinc/13/93/72/187139372.db2.gz VVHOYLNMFLBOLQ-UHFFFAOYSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449126920 282110244 /nfs/dbraw/zinc/11/02/44/282110244.db2.gz NUAUPYDDLQYLOJ-WDEREUQCSA-N 1 0 289.339 2.005 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334741 346823548 /nfs/dbraw/zinc/82/35/48/346823548.db2.gz NBRPHVRFBAYZCO-JSGCOSHPSA-N 1 0 275.352 2.169 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449179603 282133224 /nfs/dbraw/zinc/13/32/24/282133224.db2.gz WSLDECOJMYJBAA-VXGBXAGGSA-N 1 0 266.341 2.134 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721142 361851689 /nfs/dbraw/zinc/85/16/89/361851689.db2.gz LQSJEGWTTKKUMC-YPMHNXCESA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000449223883 282147447 /nfs/dbraw/zinc/14/74/47/282147447.db2.gz KTCGSNWFTQWCMF-NEPJUHHUSA-N 1 0 265.357 2.066 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645063 361916880 /nfs/dbraw/zinc/91/68/80/361916880.db2.gz GTVHSIUNZNRYFC-CYBMUJFWSA-N 1 0 293.367 2.035 20 5 CEBDRO [NH3+]C1(c2noc(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000041152864 362023309 /nfs/dbraw/zinc/02/33/09/362023309.db2.gz BEQFVXYUKXFDNT-UHFFFAOYSA-N 1 0 274.280 2.373 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCOCC1 ZINC000449405105 282223457 /nfs/dbraw/zinc/22/34/57/282223457.db2.gz XFZRUEGLEUYYMS-LBPRGKRZSA-N 1 0 276.336 2.462 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449419775 282228258 /nfs/dbraw/zinc/22/82/58/282228258.db2.gz HYFQBWWHCPWBTG-DZGCQCFKSA-N 1 0 278.352 2.496 20 5 CEBDRO CCCC[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027273296 343392209 /nfs/dbraw/zinc/39/22/09/343392209.db2.gz QQAQHTGNOUGUJN-UHFFFAOYSA-N 1 0 279.340 2.316 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000027753826 343394367 /nfs/dbraw/zinc/39/43/67/343394367.db2.gz DKXZVDLRNJHGAO-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000032663126 343414826 /nfs/dbraw/zinc/41/48/26/343414826.db2.gz WRKHHMYLBNIIOO-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676108 343438421 /nfs/dbraw/zinc/43/84/21/343438421.db2.gz OCDFQLYHCGJMEM-VXGBXAGGSA-N 1 0 293.367 2.030 20 5 CEBDRO CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000050990523 343547302 /nfs/dbraw/zinc/54/73/02/343547302.db2.gz HNPGWSDUKVRNHV-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO CC(C)C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054172817 343586080 /nfs/dbraw/zinc/58/60/80/343586080.db2.gz NKKQRGDYPFSMDD-UHFFFAOYSA-N 1 0 283.397 2.430 20 5 CEBDRO NC(=O)c1ccc(C[NH+]2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000053778578 343580378 /nfs/dbraw/zinc/58/03/78/343580378.db2.gz XQDGCDLKQLDBKX-UHFFFAOYSA-N 1 0 291.351 2.460 20 5 CEBDRO COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053897152 343581698 /nfs/dbraw/zinc/58/16/98/343581698.db2.gz HTVLSZXIQKHZFR-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000060375364 343657469 /nfs/dbraw/zinc/65/74/69/343657469.db2.gz JSNAMDCFAZJBCL-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000128085629 187349765 /nfs/dbraw/zinc/34/97/65/187349765.db2.gz VCUOOBYPPDMKIP-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000068342231 343762245 /nfs/dbraw/zinc/76/22/45/343762245.db2.gz LNVXYPQARVRKMM-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000069142577 343781156 /nfs/dbraw/zinc/78/11/56/343781156.db2.gz NUXKWXAYCRVPAS-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000602174300 346988168 /nfs/dbraw/zinc/98/81/68/346988168.db2.gz TVMLXSLJFMGLPY-OLZOCXBDSA-N 1 0 291.351 2.053 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057175 344135235 /nfs/dbraw/zinc/13/52/35/344135235.db2.gz SQEMDSDVBWQJEQ-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090661285 344142544 /nfs/dbraw/zinc/14/25/44/344142544.db2.gz YDCCLVCVRQNNJM-LBPRGKRZSA-N 1 0 294.351 2.035 20 5 CEBDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602433955 347031293 /nfs/dbraw/zinc/03/12/93/347031293.db2.gz UZJJPAZTIITYFO-GFCCVEGCSA-N 1 0 265.313 2.297 20 5 CEBDRO CC(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602443890 347035842 /nfs/dbraw/zinc/03/58/42/347035842.db2.gz AJOOJDOLQWXDTK-UHFFFAOYSA-N 1 0 254.334 2.195 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000049558803 362373136 /nfs/dbraw/zinc/37/31/36/362373136.db2.gz GGUXPCIYUCEXFG-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCn2cccn2)cc1 ZINC000126742113 344325903 /nfs/dbraw/zinc/32/59/03/344325903.db2.gz XIFBALSULJFDSP-UHFFFAOYSA-N 1 0 274.324 2.014 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCO ZINC000121293233 344302171 /nfs/dbraw/zinc/30/21/71/344302171.db2.gz VRCJDTXQFYHRQR-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000122801286 344308031 /nfs/dbraw/zinc/30/80/31/344308031.db2.gz UTHNSRCAHJMWHV-FZMZJTMJSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CO ZINC000151740475 344422963 /nfs/dbraw/zinc/42/29/63/344422963.db2.gz UHKFUFBMZZEDLH-MWLCHTKSSA-N 1 0 252.314 2.182 20 5 CEBDRO C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000049963825 362387969 /nfs/dbraw/zinc/38/79/69/362387969.db2.gz CKGNUDZLUZOGPZ-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000050015765 362390273 /nfs/dbraw/zinc/39/02/73/362390273.db2.gz JITOSRYCHRMDKO-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cn1cc(C[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602477067 347051179 /nfs/dbraw/zinc/05/11/79/347051179.db2.gz PPYKKXYOMPYIMG-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[NH2+]C1 ZINC000357057646 529982599 /nfs/dbraw/zinc/98/25/99/529982599.db2.gz UQXFJVQAMPYWMN-UHFFFAOYSA-N 1 0 287.319 2.258 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159329664 344454486 /nfs/dbraw/zinc/45/44/86/344454486.db2.gz VXJPTKQLLXZZGH-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CS[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000162691687 344467931 /nfs/dbraw/zinc/46/79/31/344467931.db2.gz QOFABHSRDSQQBM-SNVBAGLBSA-N 1 0 254.355 2.478 20 5 CEBDRO Cc1sc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000170796216 344490080 /nfs/dbraw/zinc/49/00/80/344490080.db2.gz ITNJAWHKWJEGNQ-UHFFFAOYSA-N 1 0 285.369 2.083 20 5 CEBDRO CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602500625 347058676 /nfs/dbraw/zinc/05/86/76/347058676.db2.gz CAKFQOADYJRBGK-UHFFFAOYSA-N 1 0 278.356 2.348 20 5 CEBDRO CS[C@H]1CCCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602488988 347057152 /nfs/dbraw/zinc/05/71/52/347057152.db2.gz XRJFTTJNMOCUKU-NSHDSACASA-N 1 0 284.385 2.046 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237616255 344603532 /nfs/dbraw/zinc/60/35/32/344603532.db2.gz DPBYEWATSQFRGX-DTWKUNHWSA-N 1 0 297.742 2.200 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000053202239 362486922 /nfs/dbraw/zinc/48/69/22/362486922.db2.gz HRVFFXNMTFDASG-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788966 344637898 /nfs/dbraw/zinc/63/78/98/344637898.db2.gz NLRHZXCQZIMZHY-TZMCWYRMSA-N 1 0 277.368 2.462 20 5 CEBDRO COC[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532336 347068380 /nfs/dbraw/zinc/06/83/80/347068380.db2.gz TZXCRTGZAWYFLZ-SECBINFHSA-N 1 0 279.296 2.108 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000312515302 344738629 /nfs/dbraw/zinc/73/86/29/344738629.db2.gz ATUWJQRGEHJEAS-YUMQZZPRSA-N 1 0 293.352 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CO)c(F)c1 ZINC000313496348 344742809 /nfs/dbraw/zinc/74/28/09/344742809.db2.gz JWVQDVFFPIHXHZ-CYBMUJFWSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000313874242 344743816 /nfs/dbraw/zinc/74/38/16/344743816.db2.gz MEGHWWIAUGOCKU-NSHDSACASA-N 1 0 295.387 2.494 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000293127685 344691060 /nfs/dbraw/zinc/69/10/60/344691060.db2.gz MRCXVBDYXQNAEO-CYBMUJFWSA-N 1 0 264.325 2.189 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159707 344709655 /nfs/dbraw/zinc/70/96/55/344709655.db2.gz DUVDABPIFSPMDJ-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000602555989 347075279 /nfs/dbraw/zinc/07/52/79/347075279.db2.gz SKALBZROXGGURH-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)NC ZINC000449773262 282362405 /nfs/dbraw/zinc/36/24/05/282362405.db2.gz JSODOEUZQYQCAX-CYBMUJFWSA-N 1 0 293.367 2.332 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000402266888 344872335 /nfs/dbraw/zinc/87/23/35/344872335.db2.gz IKRZJYKFIDMAOE-WPRPVWTQSA-N 1 0 254.261 2.001 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1CC[NH3+] ZINC000404292944 344879393 /nfs/dbraw/zinc/87/93/93/344879393.db2.gz VXITZTULSDQQOX-NXEZZACHSA-N 1 0 297.380 2.246 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1CC[NH3+] ZINC000404292948 344879491 /nfs/dbraw/zinc/87/94/91/344879491.db2.gz VXITZTULSDQQOX-UWVGGRQHSA-N 1 0 297.380 2.246 20 5 CEBDRO C[C@H](N[C@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762982 344882176 /nfs/dbraw/zinc/88/21/76/344882176.db2.gz KCQNXYIJSMWXDN-XDTLVQLUSA-N 1 0 263.341 2.371 20 5 CEBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783893 345021571 /nfs/dbraw/zinc/02/15/71/345021571.db2.gz HCGWVRPVJZABPA-ONGXEEELSA-N 1 0 278.308 2.254 20 5 CEBDRO CCC[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494315 345084688 /nfs/dbraw/zinc/08/46/88/345084688.db2.gz NVUPKUKWOPBCQN-UHFFFAOYSA-N 1 0 266.297 2.223 20 5 CEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+](C2CCC2)C1 ZINC000589877288 345103923 /nfs/dbraw/zinc/10/39/23/345103923.db2.gz APANXDLBZCWDEW-LBPRGKRZSA-N 1 0 290.367 2.300 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590011363 345109939 /nfs/dbraw/zinc/10/99/39/345109939.db2.gz INMSSCAQKZWFCI-SMDDNHRTSA-N 1 0 295.770 2.384 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590403356 345133646 /nfs/dbraw/zinc/13/36/46/345133646.db2.gz QOGYMTRESLSRJE-DGCLKSJQSA-N 1 0 291.351 2.068 20 5 CEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590657682 345156550 /nfs/dbraw/zinc/15/65/50/345156550.db2.gz MGLTYNPXXXLGMT-OLZOCXBDSA-N 1 0 278.308 2.026 20 5 CEBDRO C[C@@H]1[C@H](O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590661459 345157196 /nfs/dbraw/zinc/15/71/96/345157196.db2.gz ROLKFXMTQPMLCM-JDRNFJBZSA-N 1 0 262.309 2.063 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000591275574 345236503 /nfs/dbraw/zinc/23/65/03/345236503.db2.gz FCUZJBDAVBRFKN-ZDUSSCGKSA-N 1 0 293.367 2.225 20 5 CEBDRO Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000591296737 345237776 /nfs/dbraw/zinc/23/77/76/345237776.db2.gz XQIRNJUWKFFTLP-GFCCVEGCSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C1CC1 ZINC000591298707 345238195 /nfs/dbraw/zinc/23/81/95/345238195.db2.gz XVFXTPCNZLZPOS-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000591440707 345255076 /nfs/dbraw/zinc/25/50/76/345255076.db2.gz MLGWKIAQTUEMLX-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1O ZINC000592380001 345347997 /nfs/dbraw/zinc/34/79/97/345347997.db2.gz HJHHDPUTCOHGDR-WPRPVWTQSA-N 1 0 298.364 2.293 20 5 CEBDRO CC1(C)C[NH2+]CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592427715 345351654 /nfs/dbraw/zinc/35/16/54/345351654.db2.gz SZSCJAHARWHSKJ-FNORWQNLSA-N 1 0 275.352 2.292 20 5 CEBDRO CC(C)([NH3+])CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592482573 345359113 /nfs/dbraw/zinc/35/91/13/345359113.db2.gz KCGNJHVGYOWWFU-UHFFFAOYSA-N 1 0 277.324 2.001 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)O ZINC000295107279 199347981 /nfs/dbraw/zinc/34/79/81/199347981.db2.gz HDWPRHYOJPEKMM-SECBINFHSA-N 1 0 297.311 2.094 20 5 CEBDRO C[NH2+]CCC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593728011 345528524 /nfs/dbraw/zinc/52/85/24/345528524.db2.gz VHLIJDLXNZTJRR-UHFFFAOYSA-N 1 0 293.367 2.122 20 5 CEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000593883430 345548421 /nfs/dbraw/zinc/54/84/21/345548421.db2.gz MZEISADFDXHBJA-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000594424347 345625266 /nfs/dbraw/zinc/62/52/66/345625266.db2.gz BFSFPMAXYBPCJK-IAQYHMDHSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000594501452 345638946 /nfs/dbraw/zinc/63/89/46/345638946.db2.gz WLZFEYXIFJILOE-GYSYKLTISA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1cccc(-n2cc(C[NH2+]C3CCCC3)nn2)c1 ZINC000594641428 345665106 /nfs/dbraw/zinc/66/51/06/345665106.db2.gz WDAGRMHOKUIHIF-UHFFFAOYSA-N 1 0 287.323 2.208 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594591779 345653903 /nfs/dbraw/zinc/65/39/03/345653903.db2.gz KJHWQUNOVWVVDE-PHIMTYICSA-N 1 0 279.340 2.356 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595089865 345741051 /nfs/dbraw/zinc/74/10/51/345741051.db2.gz PVBNKSQUAOPDFR-CFVMTHIKSA-N 1 0 288.347 2.475 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nccs2)cs1 ZINC000060390887 362660587 /nfs/dbraw/zinc/66/05/87/362660587.db2.gz KFTZEZJSZZLZAK-UHFFFAOYSA-N 1 0 269.351 2.445 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@]1(C)OC ZINC000595104995 345742699 /nfs/dbraw/zinc/74/26/99/345742699.db2.gz COUCEXBSQHOAGT-FZQKWOKYSA-N 1 0 280.324 2.431 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595106712 345742883 /nfs/dbraw/zinc/74/28/83/345742883.db2.gz JYRCTQBUZDWVJQ-SFTQSGBHSA-N 1 0 294.355 2.042 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595106155 345742899 /nfs/dbraw/zinc/74/28/99/345742899.db2.gz JYRCTQBUZDWVJQ-CZXHOFHRSA-N 1 0 294.355 2.042 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000595310108 345759968 /nfs/dbraw/zinc/75/99/68/345759968.db2.gz UINOAIQBQFOZDZ-SNVBAGLBSA-N 1 0 251.286 2.266 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C/C=C/CO ZINC000594974225 345720196 /nfs/dbraw/zinc/72/01/96/345720196.db2.gz ITHQZDZLRCXCFX-BJFRITFKSA-N 1 0 262.309 2.136 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000595003148 345723703 /nfs/dbraw/zinc/72/37/03/345723703.db2.gz FGNRDAYHSYVDDR-LLVKDONJSA-N 1 0 293.367 2.348 20 5 CEBDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006610 345725530 /nfs/dbraw/zinc/72/55/30/345725530.db2.gz MBUYIVSXOAMMBT-UWVGGRQHSA-N 1 0 268.313 2.289 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000595015656 345727312 /nfs/dbraw/zinc/72/73/12/345727312.db2.gz ZMMZBHWSAYNZHQ-CYBMUJFWSA-N 1 0 276.336 2.439 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021455 345728763 /nfs/dbraw/zinc/72/87/63/345728763.db2.gz XVQKDIZLIZOVIY-IINYFYTJSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000595034355 345732279 /nfs/dbraw/zinc/73/22/79/345732279.db2.gz WPLVMIYXJGRCFM-HERUPUMHSA-N 1 0 294.351 2.413 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039658 345732731 /nfs/dbraw/zinc/73/27/31/345732731.db2.gz UVFJZUGWBFJZHN-ONGXEEELSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000595066852 345738612 /nfs/dbraw/zinc/73/86/12/345738612.db2.gz FOIZDEAIMBWDFX-DLRQAJBASA-N 1 0 250.298 2.102 20 5 CEBDRO CN(Cc1c[nH]cn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595595118 345821131 /nfs/dbraw/zinc/82/11/31/345821131.db2.gz CHWWXJAVGYOTES-UHFFFAOYSA-N 1 0 264.260 2.089 20 5 CEBDRO Cc1noc(C[NH2+][C@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595424216 345778421 /nfs/dbraw/zinc/77/84/21/345778421.db2.gz PIELSBIACINFSG-GFCCVEGCSA-N 1 0 297.355 2.312 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757100 345868289 /nfs/dbraw/zinc/86/82/89/345868289.db2.gz ZDRXFDOFGFUENM-TZMCWYRMSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@]12COC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756921 345868689 /nfs/dbraw/zinc/86/86/89/345868689.db2.gz HRINNXWCFPSHQD-OCCSQVGLSA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595758577 345869623 /nfs/dbraw/zinc/86/96/23/345869623.db2.gz SBCSUDVWXFNFAJ-TYNCELHUSA-N 1 0 276.336 2.421 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595766685 345870854 /nfs/dbraw/zinc/87/08/54/345870854.db2.gz YWZKPOIZZAKLIZ-HIFRSBDPSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000595871959 345903281 /nfs/dbraw/zinc/90/32/81/345903281.db2.gz JEWNRYJPBLGZLI-HZMBPMFUSA-N 1 0 282.315 2.184 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595907075 345911014 /nfs/dbraw/zinc/91/10/14/345911014.db2.gz FPZITCFIXAMAMX-SNVBAGLBSA-N 1 0 295.236 2.055 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595904928 345911155 /nfs/dbraw/zinc/91/11/55/345911155.db2.gz GHKQNUJQLOHCHY-ZLKJLUDKSA-N 1 0 281.331 2.335 20 5 CEBDRO CC[C@@H]([NH2+]C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595926497 345914522 /nfs/dbraw/zinc/91/45/22/345914522.db2.gz LVJOBAXETLBEOG-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000596016336 345923729 /nfs/dbraw/zinc/92/37/29/345923729.db2.gz QCLGAACMFZZXSI-VHSXEESVSA-N 1 0 265.313 2.156 20 5 CEBDRO CCC(CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070525 345932080 /nfs/dbraw/zinc/93/20/80/345932080.db2.gz QOCZCOZIBFSFES-LBPRGKRZSA-N 1 0 296.371 2.474 20 5 CEBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000596073574 345933435 /nfs/dbraw/zinc/93/34/35/345933435.db2.gz JICKHIOUPCZFQA-WDEREUQCSA-N 1 0 294.355 2.370 20 5 CEBDRO C[C@@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094057 345938560 /nfs/dbraw/zinc/93/85/60/345938560.db2.gz IENQTRKFRIFFHR-SNVBAGLBSA-N 1 0 256.277 2.232 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596480773 346034112 /nfs/dbraw/zinc/03/41/12/346034112.db2.gz IYMWVZUAHZBOSL-LBPRGKRZSA-N 1 0 292.339 2.201 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597241442 346159127 /nfs/dbraw/zinc/15/91/27/346159127.db2.gz DRRMMBICZORMOF-MGCOHNPYSA-N 1 0 298.726 2.289 20 5 CEBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597947440 346255962 /nfs/dbraw/zinc/25/59/62/346255962.db2.gz YHCDNHLSOJUDQR-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000598343209 346331824 /nfs/dbraw/zinc/33/18/24/346331824.db2.gz UAKDFTLBWNHAGV-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000062075651 362705175 /nfs/dbraw/zinc/70/51/75/362705175.db2.gz XSFDTIJTQOZJQD-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598988381 346442706 /nfs/dbraw/zinc/44/27/06/346442706.db2.gz QTPBJMIAVMLHCL-SKDRFNHKSA-N 1 0 268.338 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000598987320 346442783 /nfs/dbraw/zinc/44/27/83/346442783.db2.gz KVJWAOQCERPXGY-ZDUSSCGKSA-N 1 0 299.321 2.414 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598992261 346443497 /nfs/dbraw/zinc/44/34/97/346443497.db2.gz ZIDMKZUYNIKNKS-ZDUSSCGKSA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598999154 346443984 /nfs/dbraw/zinc/44/39/84/346443984.db2.gz KLUUXWUJNOKSBR-FBKDDSFISA-N 1 0 264.325 2.496 20 5 CEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)C1CC[NH+](C)CC1 ZINC000599045710 346451955 /nfs/dbraw/zinc/45/19/55/346451955.db2.gz ZHJDFFCAFFGXAA-VIFPVBQESA-N 1 0 296.346 2.458 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067246 346455246 /nfs/dbraw/zinc/45/52/46/346455246.db2.gz YEPVYUBANINLKD-TUKIKUTGSA-N 1 0 294.351 2.094 20 5 CEBDRO C/C=C\C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599078049 346456581 /nfs/dbraw/zinc/45/65/81/346456581.db2.gz DBHOJZCSLBXGHJ-JDEDCZITSA-N 1 0 264.329 2.441 20 5 CEBDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089019 346458582 /nfs/dbraw/zinc/45/85/82/346458582.db2.gz LCOYABQARGCIOR-JTQLQIEISA-N 1 0 287.310 2.442 20 5 CEBDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000336790540 365812112 /nfs/dbraw/zinc/81/21/12/365812112.db2.gz LOWPCNWJVBGPCT-JTQLQIEISA-N 1 0 252.314 2.406 20 5 CEBDRO Cc1cnc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599137804 346465648 /nfs/dbraw/zinc/46/56/48/346465648.db2.gz DFAWPICTFGRZCN-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336791717 365813238 /nfs/dbraw/zinc/81/32/38/365813238.db2.gz ORRKLZBZDYIFRI-UHFFFAOYSA-N 1 0 256.277 2.249 20 5 CEBDRO Cc1nn(C)c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599165192 346470517 /nfs/dbraw/zinc/47/05/17/346470517.db2.gz MZDMTLKMGFXTNX-LBPRGKRZSA-N 1 0 293.371 2.066 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599585294 346542189 /nfs/dbraw/zinc/54/21/89/346542189.db2.gz FANKHKWETPLHLB-GFCCVEGCSA-N 1 0 290.323 2.001 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000599614962 346546379 /nfs/dbraw/zinc/54/63/79/346546379.db2.gz WSRPFODTZGSSPS-CMPLNLGQSA-N 1 0 292.339 2.165 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599637094 346550445 /nfs/dbraw/zinc/55/04/45/346550445.db2.gz RPNSXBHKGIXTCM-DZGCQCFKSA-N 1 0 276.336 2.189 20 5 CEBDRO Cc1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000600142795 346604631 /nfs/dbraw/zinc/60/46/31/346604631.db2.gz PMXBDQOPHBKNHY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000600715591 346676631 /nfs/dbraw/zinc/67/66/31/346676631.db2.gz SZBRRSQTJZLWRE-CQSZACIVSA-N 1 0 263.341 2.025 20 5 CEBDRO CCN(CC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000600717549 346677256 /nfs/dbraw/zinc/67/72/56/346677256.db2.gz BRJXZHIOJMQIBI-UHFFFAOYSA-N 1 0 281.356 2.163 20 5 CEBDRO Cc1ccc(-c2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000600792130 346691461 /nfs/dbraw/zinc/69/14/61/346691461.db2.gz WKHCPSXNOYYDOI-UHFFFAOYSA-N 1 0 274.324 2.328 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ccsc1[N+](=O)[O-] ZINC000601113922 346756439 /nfs/dbraw/zinc/75/64/39/346756439.db2.gz JNANEBLXXCSBSP-UHFFFAOYSA-N 1 0 255.343 2.188 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185721 346780675 /nfs/dbraw/zinc/78/06/75/346780675.db2.gz ZVQUVFMNROJXCF-ZJUUUORDSA-N 1 0 267.354 2.044 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000601147414 346769090 /nfs/dbraw/zinc/76/90/90/346769090.db2.gz MVOVVGCFYZKKTR-LLVKDONJSA-N 1 0 274.267 2.009 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150886 346770673 /nfs/dbraw/zinc/77/06/73/346770673.db2.gz HEYFDFQWFIMMEQ-LDYMZIIASA-N 1 0 292.257 2.305 20 5 CEBDRO CC(C)(CO)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170687 346776188 /nfs/dbraw/zinc/77/61/88/346776188.db2.gz UJSFUMGYWVFHFL-UHFFFAOYSA-N 1 0 289.335 2.385 20 5 CEBDRO C[C@@H](CCO)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601170999 346776345 /nfs/dbraw/zinc/77/63/45/346776345.db2.gz YUGVZXGQUMFAJG-LLVKDONJSA-N 1 0 289.335 2.385 20 5 CEBDRO CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CCC1 ZINC000602632488 347113171 /nfs/dbraw/zinc/11/31/71/347113171.db2.gz JWWIWIAAXHGGIU-UHFFFAOYSA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601190977 346782131 /nfs/dbraw/zinc/78/21/31/346782131.db2.gz HRHAWCYPTKHYMQ-JTQLQIEISA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1cc(N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000601193370 346782799 /nfs/dbraw/zinc/78/27/99/346782799.db2.gz GYGLZJYKHUNXIX-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC([NH+]3CCCC3)C2)c1 ZINC000601193776 346782883 /nfs/dbraw/zinc/78/28/83/346782883.db2.gz PCXCAJHZOODQKR-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CC1([NH+]2CCCC2)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000601216192 346791957 /nfs/dbraw/zinc/79/19/57/346791957.db2.gz JHGRNGHYHMWZSC-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227560 346795599 /nfs/dbraw/zinc/79/55/99/346795599.db2.gz VCISMGSGSRAOJU-GXFFZTMASA-N 1 0 292.339 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3=CCOCC3)nc2c1 ZINC000602675915 347138192 /nfs/dbraw/zinc/13/81/92/347138192.db2.gz WVVVDALLQSDTRU-UHFFFAOYSA-N 1 0 289.291 2.172 20 5 CEBDRO COCCC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602688087 347147501 /nfs/dbraw/zinc/14/75/01/347147501.db2.gz KJXYPXRCBAGSNY-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000602691489 347149717 /nfs/dbraw/zinc/14/97/17/347149717.db2.gz CXPAJGJCSYHSJI-KBPBESRZSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+](CC1CC1)CC1CC1 ZINC000602790427 347199699 /nfs/dbraw/zinc/19/96/99/347199699.db2.gz JHCIDSXLSIVOBC-UHFFFAOYSA-N 1 0 278.356 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000602797120 347202933 /nfs/dbraw/zinc/20/29/33/347202933.db2.gz BNTVRJRANSJCFY-VXGBXAGGSA-N 1 0 280.372 2.468 20 5 CEBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602801320 347204789 /nfs/dbraw/zinc/20/47/89/347204789.db2.gz NPONDXWOZUKFPN-JTQLQIEISA-N 1 0 266.345 2.387 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000602752355 347185104 /nfs/dbraw/zinc/18/51/04/347185104.db2.gz MIYRNPUTUAUZDR-INIZCTEOSA-N 1 0 289.379 2.163 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000602756019 347185845 /nfs/dbraw/zinc/18/58/45/347185845.db2.gz JCCYITHYXGBZRR-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602757667 347186915 /nfs/dbraw/zinc/18/69/15/347186915.db2.gz CTRRNXXFMHKEEQ-NSHDSACASA-N 1 0 252.318 2.093 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C(C)C ZINC000602763550 347188765 /nfs/dbraw/zinc/18/87/65/347188765.db2.gz LWKQKZSOEUDZDA-LBPRGKRZSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCc2occc2C1 ZINC000602831830 347217385 /nfs/dbraw/zinc/21/73/85/347217385.db2.gz IOVWYVFFBDTKBZ-UHFFFAOYSA-N 1 0 290.323 2.141 20 5 CEBDRO CCC1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602834880 347218089 /nfs/dbraw/zinc/21/80/89/347218089.db2.gz GCTWXBPMSOUVBS-UHFFFAOYSA-N 1 0 266.345 2.412 20 5 CEBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000602902074 347241914 /nfs/dbraw/zinc/24/19/14/347241914.db2.gz FUHPJQZVPPDPTQ-BMQDGWLCSA-N 1 0 284.335 2.335 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C1(C)C ZINC000603399983 347359773 /nfs/dbraw/zinc/35/97/73/347359773.db2.gz GDHJJQMUPUIINQ-QWRGUYRKSA-N 1 0 264.329 2.130 20 5 CEBDRO CC[C@@](C)([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217831 347311781 /nfs/dbraw/zinc/31/17/81/347311781.db2.gz KNCZLSZEVSGOBL-QMTHXVAHSA-N 1 0 289.339 2.380 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CC2)nn1 ZINC000603220933 347313356 /nfs/dbraw/zinc/31/33/56/347313356.db2.gz XQIPQGBBODAJJE-SNVBAGLBSA-N 1 0 287.323 2.048 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603222672 347313951 /nfs/dbraw/zinc/31/39/51/347313951.db2.gz BFDBRIGCDVVXHN-ZDUSSCGKSA-N 1 0 293.302 2.030 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CSCC[NH2+]2)c1 ZINC000603417840 347364951 /nfs/dbraw/zinc/36/49/51/347364951.db2.gz CIMWHSRPEUSSRT-JTQLQIEISA-N 1 0 267.354 2.020 20 5 CEBDRO Cc1cc(NC[C@H]2CSCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000603419380 347365842 /nfs/dbraw/zinc/36/58/42/347365842.db2.gz NDFWHISWJVQIAR-VIFPVBQESA-N 1 0 285.344 2.159 20 5 CEBDRO C[NH+](C)CCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604432682 347415179 /nfs/dbraw/zinc/41/51/79/347415179.db2.gz PMMUWNLNOKCEQS-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000129654730 365882637 /nfs/dbraw/zinc/88/26/37/365882637.db2.gz XGYASAUXALFXDW-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609154026 347629352 /nfs/dbraw/zinc/62/93/52/347629352.db2.gz RHPZOESMFBGYPK-CQSZACIVSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384310 347637832 /nfs/dbraw/zinc/63/78/32/347637832.db2.gz HWZTXRAKSGSDPO-LBPRGKRZSA-N 1 0 261.325 2.491 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000609846046 347652612 /nfs/dbraw/zinc/65/26/12/347652612.db2.gz SCQYTKBHPHAQJJ-CQSZACIVSA-N 1 0 266.341 2.278 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000609964789 347656554 /nfs/dbraw/zinc/65/65/54/347656554.db2.gz LDKALYWTBBYIHD-ZDUSSCGKSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000610560159 347691797 /nfs/dbraw/zinc/69/17/97/347691797.db2.gz LCDBPLNRRPVZHO-JTQLQIEISA-N 1 0 265.313 2.100 20 5 CEBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762501 347711871 /nfs/dbraw/zinc/71/18/71/347711871.db2.gz QGGLPLHEKMLZMA-SMDDNHRTSA-N 1 0 289.335 2.408 20 5 CEBDRO CC(C)C([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000611434171 347779338 /nfs/dbraw/zinc/77/93/38/347779338.db2.gz TYDVHMFCPPTHCX-UHFFFAOYSA-N 1 0 281.356 2.027 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084676 347738072 /nfs/dbraw/zinc/73/80/72/347738072.db2.gz IYLCFMBTVZVPTL-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCOCC2(CC2)C1 ZINC000611813323 347818831 /nfs/dbraw/zinc/81/88/31/347818831.db2.gz ZZBZBRHZCBRHJE-UHFFFAOYSA-N 1 0 262.309 2.207 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336889107 365935355 /nfs/dbraw/zinc/93/53/55/365935355.db2.gz FWYHMUQCRNIMIM-HZMBPMFUSA-N 1 0 282.315 2.375 20 5 CEBDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336895136 365939158 /nfs/dbraw/zinc/93/91/58/365939158.db2.gz MOJYZTUQNPBFGS-XHDPSFHLSA-N 1 0 294.351 2.244 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576278 282581048 /nfs/dbraw/zinc/58/10/48/282581048.db2.gz CLFKZVVENFFEEI-AAEUAGOBSA-N 1 0 291.351 2.071 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000066126053 362852365 /nfs/dbraw/zinc/85/23/65/362852365.db2.gz YPKPFFUZUSUGEM-VIFPVBQESA-N 1 0 299.396 2.425 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000615085035 348278509 /nfs/dbraw/zinc/27/85/09/348278509.db2.gz SZVOFRDPSVWSNN-OAHLLOKOSA-N 1 0 294.351 2.126 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000128905343 187398411 /nfs/dbraw/zinc/39/84/11/187398411.db2.gz ZPQSHFDCSUJLLS-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000129119306 187411349 /nfs/dbraw/zinc/41/13/49/187411349.db2.gz CPTNUHFTBCXEMC-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000129146894 187413459 /nfs/dbraw/zinc/41/34/59/187413459.db2.gz KYIWKSNYLKBEHN-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO C[N@@H+]1CCN(CCNc2sccc2[N+](=O)[O-])CC1(C)C ZINC000619651976 349209361 /nfs/dbraw/zinc/20/93/61/349209361.db2.gz KDMJIHBFPNTLLC-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)[NH+]1C ZINC000339619785 215273006 /nfs/dbraw/zinc/27/30/06/215273006.db2.gz QTJHTKYISLHSDQ-NXEZZACHSA-N 1 0 299.321 2.397 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000090550763 180002541 /nfs/dbraw/zinc/00/25/41/180002541.db2.gz GVIZFGGQNBZOCA-OCCSQVGLSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000092209551 180344652 /nfs/dbraw/zinc/34/46/52/180344652.db2.gz MEOTXGVACJEZNT-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352193129 219353627 /nfs/dbraw/zinc/35/36/27/219353627.db2.gz BFBCTFAVYFMKHJ-CYBMUJFWSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107690838 186187145 /nfs/dbraw/zinc/18/71/45/186187145.db2.gz MEJSVTQMQRDSHP-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1cc(NCC2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000108947281 186237119 /nfs/dbraw/zinc/23/71/19/186237119.db2.gz DPHKFEGFBFBVDC-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](CCO)CC1 ZINC000108947279 186237403 /nfs/dbraw/zinc/23/74/03/186237403.db2.gz FSYOOUZRLACLFT-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000109705499 186268401 /nfs/dbraw/zinc/26/84/01/186268401.db2.gz GFYCNFTWKXLVLE-NSHDSACASA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000109808029 186274741 /nfs/dbraw/zinc/27/47/41/186274741.db2.gz VVHOBMFVDREBSD-AWEZNQCLSA-N 1 0 263.341 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271421111 191127750 /nfs/dbraw/zinc/12/77/50/191127750.db2.gz MCLSUSKJWNIXCW-AWEZNQCLSA-N 1 0 292.335 2.370 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352234998 219375837 /nfs/dbraw/zinc/37/58/37/219375837.db2.gz PWZDVDWTDCPGAI-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000339830113 215354252 /nfs/dbraw/zinc/35/42/52/215354252.db2.gz KZGPJHOMVNZWJD-UHFFFAOYSA-N 1 0 296.286 2.173 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000070187746 363049968 /nfs/dbraw/zinc/04/99/68/363049968.db2.gz BTLDTQKZCKBPFR-UHFFFAOYSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000291871924 198092053 /nfs/dbraw/zinc/09/20/53/198092053.db2.gz NQKSIFBMWUHPOO-QMMMGPOBSA-N 1 0 272.736 2.253 20 5 CEBDRO CC(=O)c1cc(NC[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000291921901 198106017 /nfs/dbraw/zinc/10/60/17/198106017.db2.gz RPFNUHPJSUOZAM-JTQLQIEISA-N 1 0 279.340 2.407 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000123793874 187109337 /nfs/dbraw/zinc/10/93/37/187109337.db2.gz NTTFCQZOXCTBDM-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271497 187553546 /nfs/dbraw/zinc/55/35/46/187553546.db2.gz PUPBTOCLIYOEGY-ZYHUDNBSSA-N 1 0 250.298 2.343 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000271503873 191177884 /nfs/dbraw/zinc/17/78/84/191177884.db2.gz MMEZVLKNUCHRHQ-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292135047 198177561 /nfs/dbraw/zinc/17/75/61/198177561.db2.gz LRBAVCNQKUYEGH-OAHLLOKOSA-N 1 0 275.352 2.122 20 5 CEBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000152632155 188033527 /nfs/dbraw/zinc/03/35/27/188033527.db2.gz GITDJQRVHJZDQJ-GXTWGEPZSA-N 1 0 278.356 2.373 20 5 CEBDRO CC[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157703284 188333929 /nfs/dbraw/zinc/33/39/29/188333929.db2.gz MNKGAGZAVRBOEL-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941208 366181390 /nfs/dbraw/zinc/18/13/90/366181390.db2.gz GSUGUNHJPYRUPL-HUBLWGQQSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000250672300 540075307 /nfs/dbraw/zinc/07/53/07/540075307.db2.gz YDPJHTQSVWBIAQ-SGMGOOAPSA-N 1 0 296.367 2.359 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COCC1(C)C ZINC000451812747 283113460 /nfs/dbraw/zinc/11/34/60/283113460.db2.gz PLPDZNVQINVLDR-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO CO[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076344492 363538403 /nfs/dbraw/zinc/53/84/03/363538403.db2.gz PFPUJXBAKIGPOZ-CQSZACIVSA-N 1 0 280.324 2.084 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000134822693 366362848 /nfs/dbraw/zinc/36/28/48/366362848.db2.gz JFJWSOKXRPQSGA-NSHDSACASA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)CCCO ZINC000294819766 199198341 /nfs/dbraw/zinc/19/83/41/199198341.db2.gz ORUIBGJVBGILGF-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1cccc(N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000577728263 366387340 /nfs/dbraw/zinc/38/73/40/366387340.db2.gz UYRQHSZBGHZCAK-OAHLLOKOSA-N 1 0 275.352 2.483 20 5 CEBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135239339 366414399 /nfs/dbraw/zinc/41/43/99/366414399.db2.gz DRRJZNUVSYVPRJ-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338595782 366433354 /nfs/dbraw/zinc/43/33/54/366433354.db2.gz CANQSLMDKUVMHZ-CYBMUJFWSA-N 1 0 291.351 2.050 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000338769454 366512682 /nfs/dbraw/zinc/51/26/82/366512682.db2.gz YVBKGOUMFGFVSW-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000136164590 366499951 /nfs/dbraw/zinc/49/99/51/366499951.db2.gz AWTPEDVYAMLEAQ-XHDPSFHLSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000136163814 366500319 /nfs/dbraw/zinc/50/03/19/366500319.db2.gz IZESVCBLGWLKNQ-OLZOCXBDSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000136250814 366504952 /nfs/dbraw/zinc/50/49/52/366504952.db2.gz SPMWIZHRNQCJCV-ZDUSSCGKSA-N 1 0 264.325 2.330 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341696608 216071003 /nfs/dbraw/zinc/07/10/03/216071003.db2.gz JYNJEEXETPZMAU-LLVKDONJSA-N 1 0 279.340 2.055 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338869861 366553253 /nfs/dbraw/zinc/55/32/53/366553253.db2.gz MISAMLOUSSCYMH-LLVKDONJSA-N 1 0 296.371 2.163 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000571186881 299298612 /nfs/dbraw/zinc/29/86/12/299298612.db2.gz KYJAAWUZPMBSGZ-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000578857320 366556267 /nfs/dbraw/zinc/55/62/67/366556267.db2.gz AHFHXARNTCOGNF-UHFFFAOYSA-N 1 0 282.319 2.096 20 5 CEBDRO Cc1nc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150902981 366604314 /nfs/dbraw/zinc/60/43/14/366604314.db2.gz GSJCGHQFAMUTLV-PWSUYJOCSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cc(=O)n(C[C@@H]2CCCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000339114726 366659555 /nfs/dbraw/zinc/65/95/55/366659555.db2.gz DBXYDDSTXJOUBG-ZDUSSCGKSA-N 1 0 293.367 2.328 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000579555060 366662403 /nfs/dbraw/zinc/66/24/03/366662403.db2.gz OHYABGFASRNHAH-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177869926 189075352 /nfs/dbraw/zinc/07/53/52/189075352.db2.gz KDAKESSCCVTWTJ-BZPMIXESSA-N 1 0 294.351 2.065 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H]1O ZINC000453613363 283608116 /nfs/dbraw/zinc/60/81/16/283608116.db2.gz LHMXWBTXFQLALS-UDGJJRABSA-N 1 0 262.309 2.111 20 5 CEBDRO CC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000179872920 189225322 /nfs/dbraw/zinc/22/53/22/189225322.db2.gz SPGUKMDXQQAABR-ABAIWWIYSA-N 1 0 291.351 2.304 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241509 216274678 /nfs/dbraw/zinc/27/46/78/216274678.db2.gz ZSFWGFKXZNFDJW-BDAKNGLRSA-N 1 0 272.251 2.347 20 5 CEBDRO Cc1cnc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000301425818 201003635 /nfs/dbraw/zinc/00/36/35/201003635.db2.gz GSYXZCQDPNCLTG-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+](C)C(C)C)c1 ZINC000301544480 201060606 /nfs/dbraw/zinc/06/06/06/201060606.db2.gz KQEZYDPAUPUWAA-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO C[C@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091893 361578584 /nfs/dbraw/zinc/57/85/84/361578584.db2.gz RSDKVUUPOHQHDF-NSHDSACASA-N 1 0 251.330 2.197 20 5 CEBDRO COCCOCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439943 363810949 /nfs/dbraw/zinc/81/09/49/363810949.db2.gz KJWABYJAFSFHGT-UHFFFAOYSA-N 1 0 288.731 2.001 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818496 363870456 /nfs/dbraw/zinc/87/04/56/363870456.db2.gz ZZKORSZJPBGRBU-ZJUUUORDSA-N 1 0 252.314 2.405 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089106954 363931368 /nfs/dbraw/zinc/93/13/68/363931368.db2.gz WUZPCEUCIUTAJT-RISCZKNCSA-N 1 0 291.351 2.151 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000090525687 364062908 /nfs/dbraw/zinc/06/29/08/364062908.db2.gz FETIQQODGNMWRH-CQSZACIVSA-N 1 0 291.351 2.021 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000090794481 364063003 /nfs/dbraw/zinc/06/30/03/364063003.db2.gz XJMRUBKDZOBYNI-LLVKDONJSA-N 1 0 291.351 2.500 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000093861170 364235984 /nfs/dbraw/zinc/23/59/84/364235984.db2.gz UQVLTSYTINIFTB-UHFFFAOYSA-N 1 0 251.330 2.012 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000093986642 364245101 /nfs/dbraw/zinc/24/51/01/364245101.db2.gz RTQJRFMHWZCOQV-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774975 364295448 /nfs/dbraw/zinc/29/54/48/364295448.db2.gz IDVRTPHAKKEKPR-WCQYABFASA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000094798142 364296693 /nfs/dbraw/zinc/29/66/93/364296693.db2.gz DLGWYSTWRRQSRV-CYBMUJFWSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000094941725 364309752 /nfs/dbraw/zinc/30/97/52/364309752.db2.gz FFRUQMQDUOWWFY-WDEREUQCSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H](CCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000094941633 364309763 /nfs/dbraw/zinc/30/97/63/364309763.db2.gz XPQLOPHXLQZHLD-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094949516 364313938 /nfs/dbraw/zinc/31/39/38/364313938.db2.gz AVEQQRJTQURJHY-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000112376989 364802016 /nfs/dbraw/zinc/80/20/16/364802016.db2.gz RESPNASEYULLSC-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111831307 364763599 /nfs/dbraw/zinc/76/35/99/364763599.db2.gz YDJRMVJENVLWCO-MDZDMXLPSA-N 1 0 291.351 2.242 20 5 CEBDRO Cn1cc(C[NH2+]C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000112204760 364778273 /nfs/dbraw/zinc/77/82/73/364778273.db2.gz PCFYRBMQNRCPIW-UHFFFAOYSA-N 1 0 272.308 2.247 20 5 CEBDRO COCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000116885346 365078009 /nfs/dbraw/zinc/07/80/09/365078009.db2.gz WIZIKYLDKKWKOC-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000219515182 189720493 /nfs/dbraw/zinc/72/04/93/189720493.db2.gz ZGLLXFLSHUIYNG-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000162760027 367186427 /nfs/dbraw/zinc/18/64/27/367186427.db2.gz RRSISNMLGALDMX-UHFFFAOYSA-N 1 0 287.319 2.467 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166136345 367317591 /nfs/dbraw/zinc/31/75/91/367317591.db2.gz RYFADAIQAUEHKS-GXSJLCMTSA-N 1 0 295.295 2.018 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766026 367409993 /nfs/dbraw/zinc/40/99/93/367409993.db2.gz DJBGHKFZVVHHKB-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000168714131 367359166 /nfs/dbraw/zinc/35/91/66/367359166.db2.gz ADBZLOFYVFEKAY-DTWKUNHWSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000171103020 367478292 /nfs/dbraw/zinc/47/82/92/367478292.db2.gz DLFGDTVPAMYUTH-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO C[NH+](C)CCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000342857151 367574288 /nfs/dbraw/zinc/57/42/88/367574288.db2.gz SLCXLQQNJNOVIC-UHFFFAOYSA-N 1 0 266.326 2.125 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000343058397 367651140 /nfs/dbraw/zinc/65/11/40/367651140.db2.gz PGPDJZDHZKGWER-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343425705 367806636 /nfs/dbraw/zinc/80/66/36/367806636.db2.gz FBBUHQBDHPWUBA-WCQYABFASA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343520115 367859650 /nfs/dbraw/zinc/85/96/50/367859650.db2.gz LFTFQYMAEVCEEY-FZMZJTMJSA-N 1 0 291.351 2.116 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176308592 368222185 /nfs/dbraw/zinc/22/21/85/368222185.db2.gz WDCKAEQHRZCGQP-CQSZACIVSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCCCCCC2)n1 ZINC000176190521 368209964 /nfs/dbraw/zinc/20/99/64/368209964.db2.gz HVTXPDSEDILRJJ-UHFFFAOYSA-N 1 0 252.318 2.057 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183220013 368616106 /nfs/dbraw/zinc/61/61/06/368616106.db2.gz PHJYPEJDJBMODP-JTQLQIEISA-N 1 0 279.340 2.018 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681201 368767084 /nfs/dbraw/zinc/76/70/84/368767084.db2.gz OOZIJMBPJGEXBO-DGCLKSJQSA-N 1 0 263.341 2.072 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000246292139 370942518 /nfs/dbraw/zinc/94/25/18/370942518.db2.gz CKHCBACLLVIODI-PJXYFTJBSA-N 1 0 266.345 2.206 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000185811958 368866281 /nfs/dbraw/zinc/86/62/81/368866281.db2.gz YAAUKICCFFCQLO-ITDFMYJTSA-N 1 0 264.325 2.320 20 5 CEBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000348275574 368980177 /nfs/dbraw/zinc/98/01/77/368980177.db2.gz JQSMPQZJVMFSDR-RKDXNWHRSA-N 1 0 292.261 2.064 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233320 369323013 /nfs/dbraw/zinc/32/30/13/369323013.db2.gz DVEBACMLBVEXEF-QWHCGFSZSA-N 1 0 284.381 2.359 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188888786 369424940 /nfs/dbraw/zinc/42/49/40/369424940.db2.gz GOIGPHABQZZHAT-CRALRDPISA-N 1 0 291.351 2.064 20 5 CEBDRO CC1(C)[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000189332742 369498605 /nfs/dbraw/zinc/49/86/05/369498605.db2.gz SVFWZKMDGWBPQQ-UMGRQFOVSA-N 1 0 276.336 2.357 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000350047109 369491582 /nfs/dbraw/zinc/49/15/82/369491582.db2.gz HZSMFKIEHRPHOM-GXTWGEPZSA-N 1 0 277.368 2.476 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192485596 369819056 /nfs/dbraw/zinc/81/90/56/369819056.db2.gz PEFFUDZMZWTWMX-SNVBAGLBSA-N 1 0 284.385 2.441 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000352544095 369780237 /nfs/dbraw/zinc/78/02/37/369780237.db2.gz NQZUXZLNKJNSNJ-GFCCVEGCSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H]1CSC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000352820177 369895067 /nfs/dbraw/zinc/89/50/67/369895067.db2.gz YQWAHNTXCUKFNG-GWCFXTLKSA-N 1 0 282.365 2.315 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193183282 369901691 /nfs/dbraw/zinc/90/16/91/369901691.db2.gz VYBNBCBJOMZODB-VIFPVBQESA-N 1 0 299.758 2.334 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000193245364 369910158 /nfs/dbraw/zinc/91/01/58/369910158.db2.gz WQAWEPZQQWYNIY-LBPRGKRZSA-N 1 0 293.367 2.161 20 5 CEBDRO C[C@@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000225777466 370318298 /nfs/dbraw/zinc/31/82/98/370318298.db2.gz JDBPQRUBPAJNGF-LLVKDONJSA-N 1 0 264.325 2.188 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCSC1 ZINC000223191037 370261204 /nfs/dbraw/zinc/26/12/04/370261204.db2.gz REQKWALUFRJCBB-JTQLQIEISA-N 1 0 268.338 2.199 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227052385 370355986 /nfs/dbraw/zinc/35/59/86/370355986.db2.gz CVRNSOLKPBYXGC-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227604741 370375733 /nfs/dbraw/zinc/37/57/33/370375733.db2.gz SVDZYMGGCBSDFK-UHFFFAOYSA-N 1 0 299.758 2.110 20 5 CEBDRO CC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227650468 370377874 /nfs/dbraw/zinc/37/78/74/370377874.db2.gz CLUXCXIIPYRBNH-UHFFFAOYSA-N 1 0 258.709 2.007 20 5 CEBDRO COc1cccc(NCCN2CCSCC2)c1[N+](=O)[O-] ZINC000228850114 370415025 /nfs/dbraw/zinc/41/50/25/370415025.db2.gz YSRPLKHXYOAOKJ-UHFFFAOYSA-N 1 0 297.380 2.064 20 5 CEBDRO Cc1c(C[NH2+][C@@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000231040810 370473550 /nfs/dbraw/zinc/47/35/50/370473550.db2.gz BHZOFWPDDGEASA-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000343988410 217005361 /nfs/dbraw/zinc/00/53/61/217005361.db2.gz WXHIBMSQGTZYOR-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO COC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000234703659 370540517 /nfs/dbraw/zinc/54/05/17/370540517.db2.gz JNBPEOBZFFQVAZ-UHFFFAOYSA-N 1 0 250.298 2.170 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000235532026 370568755 /nfs/dbraw/zinc/56/87/55/370568755.db2.gz AUSUKQGCQDDFIA-COPLHBTASA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000235631923 370571230 /nfs/dbraw/zinc/57/12/30/370571230.db2.gz ALNJUQSWXDIPDA-GWCFXTLKSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000235814668 370577862 /nfs/dbraw/zinc/57/78/62/370577862.db2.gz TTXDOHGRSSHWJR-LBPRGKRZSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398869 371049492 /nfs/dbraw/zinc/04/94/92/371049492.db2.gz JUGLYUPGAQABLU-GVXVVHGQSA-N 1 0 263.341 2.196 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCO2)n1 ZINC000331645035 204039944 /nfs/dbraw/zinc/03/99/44/204039944.db2.gz QAONDLKXNZTAEY-JHJVBQTASA-N 1 0 294.355 2.044 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000344023101 217013374 /nfs/dbraw/zinc/01/33/74/217013374.db2.gz HKHIGYLQEYQPNT-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000359121979 371345325 /nfs/dbraw/zinc/34/53/25/371345325.db2.gz FUARYOMJUBGPNS-UONOGXRCSA-N 1 0 264.325 2.296 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000360965517 371567318 /nfs/dbraw/zinc/56/73/18/371567318.db2.gz HDMOEYPKZDZICY-LLVKDONJSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255290399 371570727 /nfs/dbraw/zinc/57/07/27/371570727.db2.gz ORMWGPSTEBJTDP-SDQPKGBYSA-N 1 0 262.309 2.065 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829233 213725738 /nfs/dbraw/zinc/72/57/38/213725738.db2.gz BRUZDSXZISSRNC-WCQYABFASA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361152196 371683474 /nfs/dbraw/zinc/68/34/74/371683474.db2.gz HFJADDIHGJRQEW-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000261637616 371686341 /nfs/dbraw/zinc/68/63/41/371686341.db2.gz CCQLLGDSRIRWGR-ZIAGYGMSSA-N 1 0 275.352 2.087 20 5 CEBDRO [NH3+]C1(c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000261854168 371751347 /nfs/dbraw/zinc/75/13/47/371751347.db2.gz TVYGXUPCFBSOGN-AATRIKPKSA-N 1 0 286.291 2.486 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176195 217087257 /nfs/dbraw/zinc/08/72/57/217087257.db2.gz RJKVBUJGZCAREF-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000361838673 372092041 /nfs/dbraw/zinc/09/20/41/372092041.db2.gz CYJAIHKSEXRVMR-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362091610 372214893 /nfs/dbraw/zinc/21/48/93/372214893.db2.gz WHRBPZIUFGEMKD-NTZNESFSSA-N 1 0 264.325 2.216 20 5 CEBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796055 372225783 /nfs/dbraw/zinc/22/57/83/372225783.db2.gz BRXHUUZRGRTHEY-OCCSQVGLSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268936919 372294458 /nfs/dbraw/zinc/29/44/58/372294458.db2.gz RYQOAMYYKIKWCU-NSHDSACASA-N 1 0 291.351 2.291 20 5 CEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000269130698 372350659 /nfs/dbraw/zinc/35/06/59/372350659.db2.gz VDYNZJOOCZKPQY-LBPRGKRZSA-N 1 0 297.742 2.007 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000344416358 217186479 /nfs/dbraw/zinc/18/64/79/217186479.db2.gz IPYKSRUAGWZVKW-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000344427467 217189174 /nfs/dbraw/zinc/18/91/74/217189174.db2.gz FBUNQJRKUBAHAJ-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000344573932 217235986 /nfs/dbraw/zinc/23/59/86/217235986.db2.gz DICSUEZLHLWQED-WCQYABFASA-N 1 0 296.367 2.490 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353436569 220082087 /nfs/dbraw/zinc/08/20/87/220082087.db2.gz PHSLWJCAUHCYPI-SNVBAGLBSA-N 1 0 269.370 2.182 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000344759667 217301784 /nfs/dbraw/zinc/30/17/84/217301784.db2.gz MDHZJCCHIXDFHZ-LBPRGKRZSA-N 1 0 288.294 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000366252115 373015681 /nfs/dbraw/zinc/01/56/81/373015681.db2.gz REXHEWUAQHUCGY-LBPRGKRZSA-N 1 0 262.309 2.063 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCCO1 ZINC000344797992 217313696 /nfs/dbraw/zinc/31/36/96/217313696.db2.gz XDJZRTMUXDQVNY-XCHKQJEOSA-N 1 0 292.335 2.003 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261964431 220222215 /nfs/dbraw/zinc/22/22/15/220222215.db2.gz HPSGEKONHKBAFW-AWEZNQCLSA-N 1 0 295.770 2.434 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000274102354 373812584 /nfs/dbraw/zinc/81/25/84/373812584.db2.gz UWVQVBSSIKVONN-NEPJUHHUSA-N 1 0 294.351 2.315 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274298119 373870687 /nfs/dbraw/zinc/87/06/87/373870687.db2.gz IUNOITNHSGJLAQ-JTQLQIEISA-N 1 0 298.314 2.211 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000371731974 373961367 /nfs/dbraw/zinc/96/13/67/373961367.db2.gz GKAURXYWJDYRTO-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607261 373982975 /nfs/dbraw/zinc/98/29/75/373982975.db2.gz MXYHDTIOLSWPFU-ZJUUUORDSA-N 1 0 298.314 2.257 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000274857286 374073695 /nfs/dbraw/zinc/07/36/95/374073695.db2.gz HFSTWLUZJGKSDO-CYBMUJFWSA-N 1 0 296.367 2.442 20 5 CEBDRO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000372409414 374120940 /nfs/dbraw/zinc/12/09/40/374120940.db2.gz SACZXMAHICSULE-LLVKDONJSA-N 1 0 277.324 2.313 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275057924 374141884 /nfs/dbraw/zinc/14/18/84/374141884.db2.gz NZOJMAATBUMUMO-YGRLFVJLSA-N 1 0 282.315 2.375 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000276862465 374328658 /nfs/dbraw/zinc/32/86/58/374328658.db2.gz GMGJJZLWGPAGMW-GFCCVEGCSA-N 1 0 282.340 2.100 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000382819551 375194292 /nfs/dbraw/zinc/19/42/92/375194292.db2.gz WPEYFUWNLYZYJM-JTQLQIEISA-N 1 0 282.340 2.195 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000408001488 375392277 /nfs/dbraw/zinc/39/22/77/375392277.db2.gz ANDHYRMVTHUKAJ-NEPJUHHUSA-N 1 0 278.356 2.483 20 5 CEBDRO Cc1c(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399762258 375367609 /nfs/dbraw/zinc/36/76/09/375367609.db2.gz YXJFVBCDJAICEY-GWCFXTLKSA-N 1 0 279.340 2.461 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000408171849 375423291 /nfs/dbraw/zinc/42/32/91/375423291.db2.gz ONROJSPVBBWVPP-GFCCVEGCSA-N 1 0 278.356 2.137 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000414661763 375905930 /nfs/dbraw/zinc/90/59/30/375905930.db2.gz QCWVTQCMJFJWFY-JTQLQIEISA-N 1 0 280.328 2.152 20 5 CEBDRO Cc1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414661750 375906556 /nfs/dbraw/zinc/90/65/56/375906556.db2.gz QBQXYJMDRBFTOC-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305803692 376496803 /nfs/dbraw/zinc/49/68/03/376496803.db2.gz FQEBHCSHSJHOQH-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000264210844 190097057 /nfs/dbraw/zinc/09/70/57/190097057.db2.gz MFELXJWBTVZARK-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1cc(NCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420113869 376572022 /nfs/dbraw/zinc/57/20/22/376572022.db2.gz IWZVWJOHLZLITA-UHFFFAOYSA-N 1 0 263.219 2.293 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420234187 376642917 /nfs/dbraw/zinc/64/29/17/376642917.db2.gz GTOJJPRIJQNXJX-RYUDHWBXSA-N 1 0 286.335 2.247 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420243396 376652521 /nfs/dbraw/zinc/65/25/21/376652521.db2.gz XEMVGGPPTRZQEE-NWDGAFQWSA-N 1 0 286.335 2.247 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000313105837 376736769 /nfs/dbraw/zinc/73/67/69/376736769.db2.gz ZHSRVGZAQOMRCK-GFCCVEGCSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942892 376870801 /nfs/dbraw/zinc/87/08/01/376870801.db2.gz KWSMXZFTVSEVRA-JTNHKYCSSA-N 1 0 263.341 2.386 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043147 376947344 /nfs/dbraw/zinc/94/73/44/376947344.db2.gz NLYCGBZZMCRVAA-GWCFXTLKSA-N 1 0 297.786 2.378 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290915592 376982638 /nfs/dbraw/zinc/98/26/38/376982638.db2.gz JQXBQNQRRUNIDH-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291096849 377071049 /nfs/dbraw/zinc/07/10/49/377071049.db2.gz YYQOIAWQQDBISE-AWEZNQCLSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@@H](O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264764644 190133208 /nfs/dbraw/zinc/13/32/08/190133208.db2.gz ZHCKPWLDPIARJC-GFCCVEGCSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331013521 377240278 /nfs/dbraw/zinc/24/02/78/377240278.db2.gz SZUUQKOTUMYRDW-LBPRGKRZSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000563535966 377245251 /nfs/dbraw/zinc/24/52/51/377245251.db2.gz BWPHTMRMLPQXKY-ZDUSSCGKSA-N 1 0 281.381 2.232 20 5 CEBDRO COc1ccc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331160685 377309510 /nfs/dbraw/zinc/30/95/10/377309510.db2.gz FFBQAFCZCADNKP-PTEHBNRSSA-N 1 0 294.351 2.337 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000564224945 377363045 /nfs/dbraw/zinc/36/30/45/377363045.db2.gz AJDOZAVREQXERX-NSHDSACASA-N 1 0 279.340 2.357 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000331438187 377428875 /nfs/dbraw/zinc/42/88/75/377428875.db2.gz DCIYLBUUPLXYBC-YGRLFVJLSA-N 1 0 289.335 2.009 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884858 377461707 /nfs/dbraw/zinc/46/17/07/377461707.db2.gz JOSUVDBDQMJZDI-YPMHNXCESA-N 1 0 286.335 2.457 20 5 CEBDRO CC(C)[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000293305150 377513140 /nfs/dbraw/zinc/51/31/40/377513140.db2.gz LAHLTZYFMSFXRU-AWEZNQCLSA-N 1 0 266.341 2.086 20 5 CEBDRO CCC(C)(C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000265184681 190164221 /nfs/dbraw/zinc/16/42/21/190164221.db2.gz HLMCXIRYJYAQPM-CYBMUJFWSA-N 1 0 296.367 2.455 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332238394 377548647 /nfs/dbraw/zinc/54/86/47/377548647.db2.gz OMGBTPVEUSRKLH-UBHSHLNASA-N 1 0 276.336 2.188 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293490117 377590853 /nfs/dbraw/zinc/59/08/53/377590853.db2.gz SSMAHMFVRQZDRU-QWRGUYRKSA-N 1 0 250.298 2.314 20 5 CEBDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313263293 249392180 /nfs/dbraw/zinc/39/21/80/249392180.db2.gz LSDWZXXOKUJWDP-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccc(-c2csc(NCC[NH3+])n2)cc1[N+](=O)[O-] ZINC000313525075 249397133 /nfs/dbraw/zinc/39/71/33/249397133.db2.gz TVJPUVUGOKRESE-UHFFFAOYSA-N 1 0 278.337 2.397 20 5 CEBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000313097399 249381979 /nfs/dbraw/zinc/38/19/79/249381979.db2.gz DUJBIKWSCGZEGZ-DGCLKSJQSA-N 1 0 252.314 2.234 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313250843 249389897 /nfs/dbraw/zinc/38/98/97/249389897.db2.gz DDIFGKYZHYRUJP-AJHXJQRKSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293674647 377692358 /nfs/dbraw/zinc/69/23/58/377692358.db2.gz JUGHBUYATVAUPR-BNOWGMLFSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1sc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293656295 377681270 /nfs/dbraw/zinc/68/12/70/377681270.db2.gz LDBUKFFAXABNQS-UHFFFAOYSA-N 1 0 285.369 2.212 20 5 CEBDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293867896 377795480 /nfs/dbraw/zinc/79/54/80/377795480.db2.gz UUWGZTZDCGLPFN-SNVBAGLBSA-N 1 0 279.340 2.254 20 5 CEBDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000438508928 377904905 /nfs/dbraw/zinc/90/49/05/377904905.db2.gz NJTDPYSKSFGUBK-GFCCVEGCSA-N 1 0 291.351 2.172 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000294689994 378011797 /nfs/dbraw/zinc/01/17/97/378011797.db2.gz CFBVOFIIZHBHMF-NSHDSACASA-N 1 0 266.341 2.401 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000295233761 378063256 /nfs/dbraw/zinc/06/32/56/378063256.db2.gz XGBPLHUFIOMUTC-VIFPVBQESA-N 1 0 270.304 2.325 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777406 378230016 /nfs/dbraw/zinc/23/00/16/378230016.db2.gz QIXMGEJRCWRXPD-YPMHNXCESA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296204906 378452478 /nfs/dbraw/zinc/45/24/78/378452478.db2.gz FOCZCXAXQISYFF-VXGBXAGGSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000296104917 378418922 /nfs/dbraw/zinc/41/89/22/378418922.db2.gz UULSPHVWOTXSKV-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000450456644 378427515 /nfs/dbraw/zinc/42/75/15/378427515.db2.gz QLIFLHFJLUGORB-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000450593769 378490792 /nfs/dbraw/zinc/49/07/92/378490792.db2.gz JIOSUVDAXGQGBG-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO CS[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296448857 378535701 /nfs/dbraw/zinc/53/57/01/378535701.db2.gz WLRDESVGVJWOOM-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2nccn21 ZINC000450828826 378599254 /nfs/dbraw/zinc/59/92/54/378599254.db2.gz LEUXECGTQDTICU-WCBMZHEXSA-N 1 0 259.269 2.304 20 5 CEBDRO CCC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000296651650 378607122 /nfs/dbraw/zinc/60/71/22/378607122.db2.gz XNFPCCQQSGMHJT-GFCCVEGCSA-N 1 0 252.314 2.188 20 5 CEBDRO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000346801280 218019629 /nfs/dbraw/zinc/01/96/29/218019629.db2.gz SBAGUYPIAKECRR-VIFPVBQESA-N 1 0 288.307 2.250 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000453113506 378808039 /nfs/dbraw/zinc/80/80/39/378808039.db2.gz DXYDPBWYQRWLEF-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000298953646 378863760 /nfs/dbraw/zinc/86/37/60/378863760.db2.gz AUDDYUWSIYMJQX-NSHDSACASA-N 1 0 299.396 2.362 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395926 378884483 /nfs/dbraw/zinc/88/44/83/378884483.db2.gz IGJOFYZKCISHBK-UKRRQHHQSA-N 1 0 291.351 2.304 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000453424541 378899020 /nfs/dbraw/zinc/89/90/20/378899020.db2.gz YGNRFIVFFQVGKS-QWHCGFSZSA-N 1 0 279.340 2.160 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299249357 378941583 /nfs/dbraw/zinc/94/15/83/378941583.db2.gz QYDXIIJZTHWSPF-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000346995586 218085757 /nfs/dbraw/zinc/08/57/57/218085757.db2.gz BNCSGCOMIMAEFX-ZDUSSCGKSA-N 1 0 263.341 2.216 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000299549316 379040810 /nfs/dbraw/zinc/04/08/10/379040810.db2.gz BZRRDGNHSPYAEF-GFCCVEGCSA-N 1 0 278.356 2.380 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000515031273 379177011 /nfs/dbraw/zinc/17/70/11/379177011.db2.gz GDIIIIGUFKCRRD-HUBLWGQQSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301098091 379193566 /nfs/dbraw/zinc/19/35/66/379193566.db2.gz KWXJSSFPOPAECO-GHMZBOCLSA-N 1 0 295.387 2.169 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000301193953 379216008 /nfs/dbraw/zinc/21/60/08/379216008.db2.gz MUCWEPILCSFPCS-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)CC1 ZINC000266520783 190262965 /nfs/dbraw/zinc/26/29/65/190262965.db2.gz ICRVNNLXHYWXQM-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000301334884 379259663 /nfs/dbraw/zinc/25/96/63/379259663.db2.gz CQCFVJJDFBNRHK-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952363 379327652 /nfs/dbraw/zinc/32/76/52/379327652.db2.gz SYQHJGKWXCTYQI-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000304077082 379520739 /nfs/dbraw/zinc/52/07/39/379520739.db2.gz XKTBCGGXGQSUQE-NSHDSACASA-N 1 0 258.343 2.153 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269764 379525299 /nfs/dbraw/zinc/52/52/99/379525299.db2.gz DXVGFDIITWFZHA-KWCYVHTRSA-N 1 0 276.336 2.331 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3)CC2)n1 ZINC000267077730 190301548 /nfs/dbraw/zinc/30/15/48/190301548.db2.gz MFVIKHYHSICHQT-UHFFFAOYSA-N 1 0 272.308 2.070 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267020828 190297147 /nfs/dbraw/zinc/29/71/47/190297147.db2.gz KEYUKTXVKGUTTD-LLVKDONJSA-N 1 0 281.331 2.117 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCOC1 ZINC000267355478 190323529 /nfs/dbraw/zinc/32/35/29/190323529.db2.gz BSHXMXHPRBKQPZ-SNVBAGLBSA-N 1 0 268.288 2.202 20 5 CEBDRO C[N@H+](CCCCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000457196860 379708803 /nfs/dbraw/zinc/70/88/03/379708803.db2.gz HVAQIJZCUNRMAX-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000267653430 190344488 /nfs/dbraw/zinc/34/44/88/190344488.db2.gz YFAIDKHPUVZVCK-UHFFFAOYSA-N 1 0 293.323 2.329 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000279186898 194323511 /nfs/dbraw/zinc/32/35/11/194323511.db2.gz DLYKCIRNCSCFGP-IUODEOHRSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289417312 197337190 /nfs/dbraw/zinc/33/71/90/197337190.db2.gz BTNJNEFBBFDOFG-CYBMUJFWSA-N 1 0 264.325 2.236 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000289321373 197297409 /nfs/dbraw/zinc/29/74/09/197297409.db2.gz URZYQMNRCJVCST-MGCOHNPYSA-N 1 0 297.380 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CCC2 ZINC000332037561 285144625 /nfs/dbraw/zinc/14/46/25/285144625.db2.gz WIOCZTCCXHBRBJ-RRFJBIMHSA-N 1 0 276.336 2.475 20 5 CEBDRO CC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281441277 195240953 /nfs/dbraw/zinc/24/09/53/195240953.db2.gz PZGHIWJOHVKUCH-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000081015752 177755393 /nfs/dbraw/zinc/75/53/93/177755393.db2.gz HXIDJKDDVGUEML-SMDDNHRTSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417356376 533549209 /nfs/dbraw/zinc/54/92/09/533549209.db2.gz PLKZYKHRPSASPV-XWIASGKRSA-N 1 0 250.298 2.159 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000189686313 130007820 /nfs/dbraw/zinc/00/78/20/130007820.db2.gz QGURFZYOAVBYBB-VIFPVBQESA-N 1 0 270.358 2.195 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000191283323 130214833 /nfs/dbraw/zinc/21/48/33/130214833.db2.gz CCOBWTFAOAZSSL-QWRGUYRKSA-N 1 0 264.325 2.329 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000192127502 130378093 /nfs/dbraw/zinc/37/80/93/130378093.db2.gz KLBTUCLNKXNALO-SMDDNHRTSA-N 1 0 264.325 2.152 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192477830 130455024 /nfs/dbraw/zinc/45/50/24/130455024.db2.gz PDAWNCRSHKYBMP-DTWKUNHWSA-N 1 0 270.358 2.336 20 5 CEBDRO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000261601833 131155697 /nfs/dbraw/zinc/15/56/97/131155697.db2.gz BVPLPRKTDLHUKN-DGCLKSJQSA-N 1 0 291.351 2.304 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261811102 131170659 /nfs/dbraw/zinc/17/06/59/131170659.db2.gz ZQQYNCSUBSLPQI-DGCLKSJQSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421704472 394569361 /nfs/dbraw/zinc/56/93/61/394569361.db2.gz OQMPWFYICODDBD-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070357042 394586984 /nfs/dbraw/zinc/58/69/84/394586984.db2.gz NSWDSVAVCGBVBC-PWSUYJOCSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000070575102 394587079 /nfs/dbraw/zinc/58/70/79/394587079.db2.gz VXXOCJNBPOXBOV-QWRGUYRKSA-N 1 0 277.324 2.359 20 5 CEBDRO CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413582688 394590223 /nfs/dbraw/zinc/59/02/23/394590223.db2.gz HCUAAGBTKVOELT-ZDUSSCGKSA-N 1 0 293.367 2.286 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000049480232 394547451 /nfs/dbraw/zinc/54/74/51/394547451.db2.gz KLVRLHGKFYZJFX-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC000413433356 394550467 /nfs/dbraw/zinc/55/04/67/394550467.db2.gz DMLACWWYKBLDLR-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000413433357 394550561 /nfs/dbraw/zinc/55/05/61/394550561.db2.gz DMLACWWYKBLDLR-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCC1 ZINC000089897977 394651789 /nfs/dbraw/zinc/65/17/89/394651789.db2.gz VXWDLVCUHXIZEZ-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000359087856 394739773 /nfs/dbraw/zinc/73/97/73/394739773.db2.gz YVPZSEHTPIYNFL-NSHDSACASA-N 1 0 276.340 2.255 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422722253 394740176 /nfs/dbraw/zinc/74/01/76/394740176.db2.gz XJHBWPUUEQOTJP-RISCZKNCSA-N 1 0 293.367 2.081 20 5 CEBDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015634 394708067 /nfs/dbraw/zinc/70/80/67/394708067.db2.gz YIZPOGDLJSNZFJ-MFKMUULPSA-N 1 0 282.365 2.113 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000422689991 394724265 /nfs/dbraw/zinc/72/42/65/394724265.db2.gz FZIOLZKGQNHAGS-LBPRGKRZSA-N 1 0 291.351 2.282 20 5 CEBDRO CC[NH2+]CCN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414848628 394769454 /nfs/dbraw/zinc/76/94/54/394769454.db2.gz QFSWQONNKBREFB-LBPRGKRZSA-N 1 0 265.357 2.115 20 5 CEBDRO CCC[NH2+]CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414867823 394778656 /nfs/dbraw/zinc/77/86/56/394778656.db2.gz JJWBAUCKEOFOTQ-FNORWQNLSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@@H](CC[NH3+])NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414892175 394791618 /nfs/dbraw/zinc/79/16/18/394791618.db2.gz WSSVUBPRWLHRLS-QMMMGPOBSA-N 1 0 289.282 2.023 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000414935047 394810937 /nfs/dbraw/zinc/81/09/37/394810937.db2.gz VVRZUROBMWEKAN-CQSZACIVSA-N 1 0 277.368 2.463 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNC1(C)CC[NH2+]CC1 ZINC000414938317 394811580 /nfs/dbraw/zinc/81/15/80/394811580.db2.gz IKEAQWJRBDEWNP-UHFFFAOYSA-N 1 0 263.341 2.135 20 5 CEBDRO Cc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414949817 394819666 /nfs/dbraw/zinc/81/96/66/394819666.db2.gz GUWGCINAFISUQZ-YPMHNXCESA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000362474267 394862567 /nfs/dbraw/zinc/86/25/67/394862567.db2.gz RBETXJNSGIYIDC-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000364164295 394890984 /nfs/dbraw/zinc/89/09/84/394890984.db2.gz AXCQROIRWRYWDI-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO [NH3+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000423337308 394891445 /nfs/dbraw/zinc/89/14/45/394891445.db2.gz VFLJOLNTJCYRBB-AWEZNQCLSA-N 1 0 275.352 2.443 20 5 CEBDRO Cc1cc(N2C[C@H](O)C3(CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000364423982 394900918 /nfs/dbraw/zinc/90/09/18/394900918.db2.gz YHQLEACAVDVPQA-HNNXBMFYSA-N 1 0 299.330 2.413 20 5 CEBDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423394518 394913448 /nfs/dbraw/zinc/91/34/48/394913448.db2.gz ZWMFNBLIYWOLEU-GHMZBOCLSA-N 1 0 251.330 2.243 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423409710 394916467 /nfs/dbraw/zinc/91/64/67/394916467.db2.gz ZAYOICOVGMYPDF-BZPMIXESSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419804 394930291 /nfs/dbraw/zinc/93/02/91/394930291.db2.gz RIAOFQGMOAXLCW-CMPLNLGQSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415508548 394940013 /nfs/dbraw/zinc/94/00/13/394940013.db2.gz VDRNQQQCNJEOGN-WDEREUQCSA-N 1 0 292.339 2.117 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000285395467 394956778 /nfs/dbraw/zinc/95/67/78/394956778.db2.gz ASNJCPQUUSDUSI-MFKMUULPSA-N 1 0 266.366 2.478 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[NH2+]C1 ZINC000423552416 394950707 /nfs/dbraw/zinc/95/07/07/394950707.db2.gz JXGHDELPFTXKFG-TZMCWYRMSA-N 1 0 277.368 2.258 20 5 CEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000423842227 395000541 /nfs/dbraw/zinc/00/05/41/395000541.db2.gz KCYWXQALIMYUTI-LBPRGKRZSA-N 1 0 297.742 2.007 20 5 CEBDRO C[C@H](F)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514744 394963872 /nfs/dbraw/zinc/96/38/72/394963872.db2.gz OTZDGYUYSCYYAR-QWRGUYRKSA-N 1 0 270.308 2.176 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344437929 395054412 /nfs/dbraw/zinc/05/44/12/395054412.db2.gz RPTDGASUPRYWJK-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[N@H+](C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290783301 395116901 /nfs/dbraw/zinc/11/69/01/395116901.db2.gz NHVWVTOKXLITDY-CQSZACIVSA-N 1 0 296.392 2.283 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000347033657 395117814 /nfs/dbraw/zinc/11/78/14/395117814.db2.gz BXCNNFZDKDRYGT-NHYWBVRUSA-N 1 0 277.368 2.462 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000430232009 395164125 /nfs/dbraw/zinc/16/41/25/395164125.db2.gz DXHHLOVUANEJOQ-MFKMUULPSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618788 395237021 /nfs/dbraw/zinc/23/70/21/395237021.db2.gz JBTJOKSAFJFMPN-AAEUAGOBSA-N 1 0 264.325 2.045 20 5 CEBDRO CC(C)OC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208465 395188765 /nfs/dbraw/zinc/18/87/65/395188765.db2.gz SYILTQINWPVPIB-LBPRGKRZSA-N 1 0 296.367 2.205 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586530 395200382 /nfs/dbraw/zinc/20/03/82/395200382.db2.gz BJJLADXUMHNBAS-TZMCWYRMSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncc1[N+](=O)[O-] ZINC000292778421 395205744 /nfs/dbraw/zinc/20/57/44/395205744.db2.gz LQEZUNNTXWEUFL-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO Cc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000519753153 395218837 /nfs/dbraw/zinc/21/88/37/395218837.db2.gz LIWFQKDZBMXYCG-OAHLLOKOSA-N 1 0 275.352 2.483 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295086366 395284516 /nfs/dbraw/zinc/28/45/16/395284516.db2.gz RAUGVKPBBLQIEF-QWRGUYRKSA-N 1 0 274.267 2.089 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)C1CCC1 ZINC000439787188 395285396 /nfs/dbraw/zinc/28/53/96/395285396.db2.gz FNQDXPNRAUYZQA-XQRVVYSFSA-N 1 0 276.336 2.455 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000420282476 395293778 /nfs/dbraw/zinc/29/37/78/395293778.db2.gz NFNSINNRPHUWTO-RKDXNWHRSA-N 1 0 295.368 2.233 20 5 CEBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000353559634 395302023 /nfs/dbraw/zinc/30/20/23/395302023.db2.gz LHUUODUMTVVWNP-FRRDWIJNSA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH3+])CCC1 ZINC000420298899 395304061 /nfs/dbraw/zinc/30/40/61/395304061.db2.gz ADKQERKUXVDMNU-LLVKDONJSA-N 1 0 263.341 2.435 20 5 CEBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000419315492 395255507 /nfs/dbraw/zinc/25/55/07/395255507.db2.gz JXJBZOYUKRSRIN-NXEZZACHSA-N 1 0 266.345 2.243 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000419369264 395265728 /nfs/dbraw/zinc/26/57/28/395265728.db2.gz YXGCXKBWGJUDEJ-CYBMUJFWSA-N 1 0 296.396 2.009 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946517 395266254 /nfs/dbraw/zinc/26/62/54/395266254.db2.gz JETRNVAUQIRKMW-CABZTGNLSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000294214211 395269477 /nfs/dbraw/zinc/26/94/77/395269477.db2.gz YKZNZPOUHCQUGN-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000192674273 395390402 /nfs/dbraw/zinc/39/04/02/395390402.db2.gz NXWYAMJDRZXIHZ-KOLCDFICSA-N 1 0 293.371 2.157 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](C2CCC2)CC1 ZINC000355315451 395408779 /nfs/dbraw/zinc/40/87/79/395408779.db2.gz JEYHKZILKYYZIM-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCCO)n1 ZINC000448022973 395507696 /nfs/dbraw/zinc/50/76/96/395507696.db2.gz QVMDECXNRHWBPB-OLZOCXBDSA-N 1 0 296.371 2.027 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](F)C1 ZINC000451180108 395587987 /nfs/dbraw/zinc/58/79/87/395587987.db2.gz CFJJOHPPTRRVEE-JTQLQIEISA-N 1 0 254.261 2.147 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000192650222 153217117 /nfs/dbraw/zinc/21/71/17/153217117.db2.gz SOWLWRHLHDFOCD-NWDGAFQWSA-N 1 0 295.387 2.404 20 5 CEBDRO CC(C)(CCCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000221380871 153311344 /nfs/dbraw/zinc/31/13/44/153311344.db2.gz KJVVNAKWLSCHLK-UHFFFAOYSA-N 1 0 266.341 2.483 20 5 CEBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000221334932 153311918 /nfs/dbraw/zinc/31/19/18/153311918.db2.gz HRTVQOBWKQRAEA-NSHDSACASA-N 1 0 256.327 2.315 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272135635 292288861 /nfs/dbraw/zinc/28/88/61/292288861.db2.gz AJVSGGRPPITJBT-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000262133294 153917688 /nfs/dbraw/zinc/91/76/88/153917688.db2.gz YKSDAOYJLQTXHO-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778459 154335794 /nfs/dbraw/zinc/33/57/94/154335794.db2.gz LAJWIBZHOCNOHH-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359070408 154874382 /nfs/dbraw/zinc/87/43/82/154874382.db2.gz YTEHXLNRYHDTMM-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376056451 157183083 /nfs/dbraw/zinc/18/30/83/157183083.db2.gz VXXUYTOYALRCTA-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168131375 162362563 /nfs/dbraw/zinc/36/25/63/162362563.db2.gz PXLZNABMQBTTDG-SNVBAGLBSA-N 1 0 272.732 2.499 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171453851 162384517 /nfs/dbraw/zinc/38/45/17/162384517.db2.gz RHUMJUGFCSLGFK-AWEZNQCLSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261548472 162543745 /nfs/dbraw/zinc/54/37/45/162543745.db2.gz BOSMMSNOQHMMPM-LDYMZIIASA-N 1 0 269.732 2.027 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080697 165036689 /nfs/dbraw/zinc/03/66/89/165036689.db2.gz RBAZAMSJUSLGDM-IUCAKERBSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[NH+](CC)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175150593 165126555 /nfs/dbraw/zinc/12/65/55/165126555.db2.gz UJHPNXNOCSICJK-UHFFFAOYSA-N 1 0 293.367 2.288 20 5 CEBDRO CC1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176196368 165159490 /nfs/dbraw/zinc/15/94/90/165159490.db2.gz YCGNDBRHNKNRJD-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000020208253 171072437 /nfs/dbraw/zinc/07/24/37/171072437.db2.gz MJYFAOYSQQNFOA-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949782 196162787 /nfs/dbraw/zinc/16/27/87/196162787.db2.gz FCVSKAJIJKUKFY-WCBMZHEXSA-N 1 0 267.354 2.333 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccn2)cs1 ZINC000037562474 173272763 /nfs/dbraw/zinc/27/27/63/173272763.db2.gz JIERQHSJIRGDIS-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO C[C@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000040669982 174368361 /nfs/dbraw/zinc/36/83/61/174368361.db2.gz MTGXVJRNCDJWGM-FZMZJTMJSA-N 1 0 293.371 2.307 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH3+])C1 ZINC000044527974 175192530 /nfs/dbraw/zinc/19/25/30/175192530.db2.gz PYQSDVHICXZYPW-NWDGAFQWSA-N 1 0 263.341 2.327 20 5 CEBDRO Cc1ccnc(N[C@@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000070496159 175956789 /nfs/dbraw/zinc/95/67/89/175956789.db2.gz OQHOKKAJBXNIGB-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277819 176107799 /nfs/dbraw/zinc/10/77/99/176107799.db2.gz VQIPJCUNTGVWRX-RNCFNFMXSA-N 1 0 250.298 2.016 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000078738842 177380181 /nfs/dbraw/zinc/38/01/81/177380181.db2.gz MVECBXAXIMRYDB-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312125374 270333300 /nfs/dbraw/zinc/33/33/00/270333300.db2.gz YXTVHVLHKZBWSP-GXSJLCMTSA-N 1 0 267.304 2.216 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514613984 266018558 /nfs/dbraw/zinc/01/85/58/266018558.db2.gz FAJUXSNXXLNQRN-GXFFZTMASA-N 1 0 264.325 2.333 20 5 CEBDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035019438 270225024 /nfs/dbraw/zinc/22/50/24/270225024.db2.gz MXUQGSNWBOSCPI-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CCO)CC1 ZINC000189998607 270265679 /nfs/dbraw/zinc/26/56/79/270265679.db2.gz SVJKPPUMVQRYGF-UHFFFAOYSA-N 1 0 294.351 2.246 20 5 CEBDRO C[C@H](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000397778358 270354996 /nfs/dbraw/zinc/35/49/96/270354996.db2.gz UPOYNAUQCWFMIC-JTQLQIEISA-N 1 0 270.304 2.232 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645444 270360195 /nfs/dbraw/zinc/36/01/95/270360195.db2.gz ZGNCQBKINFEHTK-AAEUAGOBSA-N 1 0 264.325 2.045 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000399618437 270370769 /nfs/dbraw/zinc/37/07/69/270370769.db2.gz ZVXFLRUBONMQHZ-UHIISALHSA-N 1 0 293.367 2.391 20 5 CEBDRO Cc1c(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399565715 270370856 /nfs/dbraw/zinc/37/08/56/270370856.db2.gz IFZYZMHBBJUGJP-RISCZKNCSA-N 1 0 293.367 2.139 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC000422758255 270755371 /nfs/dbraw/zinc/75/53/71/270755371.db2.gz IQXSFBVCFHMSQI-UHFFFAOYSA-N 1 0 291.351 2.211 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000428429135 271265368 /nfs/dbraw/zinc/26/53/68/271265368.db2.gz ZTIPQMZNMJTYBS-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)c1 ZINC000136294042 274004759 /nfs/dbraw/zinc/00/47/59/274004759.db2.gz XDOVDNARNKLBGE-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000338687375 274118918 /nfs/dbraw/zinc/11/89/18/274118918.db2.gz INGYLXMQRXELKX-PWSUYJOCSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070177144 274288807 /nfs/dbraw/zinc/28/88/07/274288807.db2.gz JJFMCVVRPYQDTA-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000286412954 274638821 /nfs/dbraw/zinc/63/88/21/274638821.db2.gz MHGZHMHAFWVOQJ-AAEUAGOBSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000286412967 274643606 /nfs/dbraw/zinc/64/36/06/274643606.db2.gz MHGZHMHAFWVOQJ-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000262615887 274956441 /nfs/dbraw/zinc/95/64/41/274956441.db2.gz CWEIDXGMXFUFLH-GHMZBOCLSA-N 1 0 289.335 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000301062461 275036257 /nfs/dbraw/zinc/03/62/57/275036257.db2.gz BNUSVVRUJJBRAO-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CCC[NH2+]C1 ZINC000236111838 275040725 /nfs/dbraw/zinc/04/07/25/275040725.db2.gz MJKSSWHXBPSZLI-ZETCQYMHSA-N 1 0 290.245 2.173 20 5 CEBDRO CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192631440 275480250 /nfs/dbraw/zinc/48/02/50/275480250.db2.gz YJWKLFDMKIGONX-OAHLLOKOSA-N 1 0 291.351 2.088 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177549233 276794984 /nfs/dbraw/zinc/79/49/84/276794984.db2.gz SNJVSJXEKYFGJM-RYUDHWBXSA-N 1 0 291.351 2.197 20 5 CEBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000301788626 277002581 /nfs/dbraw/zinc/00/25/81/277002581.db2.gz MVJQOJSQERCJJX-VIFPVBQESA-N 1 0 285.294 2.403 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000346661371 277279001 /nfs/dbraw/zinc/27/90/01/277279001.db2.gz AZHJMQQDGVLSBA-AWEZNQCLSA-N 1 0 263.341 2.087 20 5 CEBDRO COc1ccccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000271736295 278061451 /nfs/dbraw/zinc/06/14/51/278061451.db2.gz VFOXGHDZVFTODA-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994327 278403569 /nfs/dbraw/zinc/40/35/69/278403569.db2.gz FDSNOGBNALZFHP-RNCFNFMXSA-N 1 0 264.325 2.288 20 5 CEBDRO Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268809481 279016259 /nfs/dbraw/zinc/01/62/59/279016259.db2.gz GRMLXBSXEJEQCA-CHWSQXEVSA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037152138 279453202 /nfs/dbraw/zinc/45/32/02/279453202.db2.gz NZESJUIOMPFXQX-PKSQDBQZSA-N 1 0 291.351 2.290 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129928712 279925279 /nfs/dbraw/zinc/92/52/79/279925279.db2.gz QWZVLULWCODUNC-LBPRGKRZSA-N 1 0 293.367 2.470 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000150242441 280079653 /nfs/dbraw/zinc/07/96/53/280079653.db2.gz AITTVCWYJGAHMB-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000261596116 280529373 /nfs/dbraw/zinc/52/93/73/280529373.db2.gz AWJHWVHMIUXAAI-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000419009443 280767332 /nfs/dbraw/zinc/76/73/32/280767332.db2.gz NFUBANAVRPPGSO-UHFFFAOYSA-N 1 0 286.335 2.071 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1 ZINC000338782430 281014229 /nfs/dbraw/zinc/01/42/29/281014229.db2.gz CPJIYOBTLJWRLB-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000245521969 281022606 /nfs/dbraw/zinc/02/26/06/281022606.db2.gz LERWPGYMFRECPO-FZMZJTMJSA-N 1 0 264.325 2.421 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723682 281083354 /nfs/dbraw/zinc/08/33/54/281083354.db2.gz LXQGRDCVBDRZSF-ZDUSSCGKSA-N 1 0 291.351 2.213 20 5 CEBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000459610000 290194165 /nfs/dbraw/zinc/19/41/65/290194165.db2.gz KDNLOUQMCIICHM-GXFFZTMASA-N 1 0 266.345 2.387 20 5 CEBDRO Cn1cnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000459655991 290205996 /nfs/dbraw/zinc/20/59/96/290205996.db2.gz GXUKIPFCKNOKIN-XQRVVYSFSA-N 1 0 286.335 2.174 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(C3CCC3)CCC2)n1 ZINC000459757967 290229732 /nfs/dbraw/zinc/22/97/32/290229732.db2.gz HLQRGCKHYOUOJR-UHFFFAOYSA-N 1 0 264.329 2.104 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459782045 290238152 /nfs/dbraw/zinc/23/81/52/290238152.db2.gz XDSAUUZEEBDTED-UHFFFAOYSA-N 1 0 264.329 2.104 20 5 CEBDRO CO[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184309 298328817 /nfs/dbraw/zinc/32/88/17/298328817.db2.gz NXJPXLYINNWCGQ-IUODEOHRSA-N 1 0 294.351 2.359 20 5 CEBDRO C[C@H]1C[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097774 298393849 /nfs/dbraw/zinc/39/38/49/298393849.db2.gz VGKCYBZHYBPRNL-QWRGUYRKSA-N 1 0 250.298 2.456 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564712283 298842247 /nfs/dbraw/zinc/84/22/47/298842247.db2.gz IDBYSVSIXSFRSF-NEPJUHHUSA-N 1 0 293.367 2.155 20 5 CEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000565306812 298893512 /nfs/dbraw/zinc/89/35/12/298893512.db2.gz DDZCVGBWHMYGNX-QWHCGFSZSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000261851328 300413709 /nfs/dbraw/zinc/41/37/09/300413709.db2.gz QFCAFFKELSIJGD-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000522167658 313141473 /nfs/dbraw/zinc/14/14/73/313141473.db2.gz VTCCNCBJCFUIHW-SNVBAGLBSA-N 1 0 297.380 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000567915917 313921075 /nfs/dbraw/zinc/92/10/75/313921075.db2.gz BTRYFZGVQLPCCP-VXGBXAGGSA-N 1 0 293.367 2.043 20 5 CEBDRO C[NH2+]CCCOc1ccc([N+](=O)[O-])cc1Br ZINC000570043267 314025480 /nfs/dbraw/zinc/02/54/80/314025480.db2.gz WECGRNAABSKGGB-UHFFFAOYSA-N 1 0 289.129 2.346 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCn2ccnc2C1 ZINC000570174908 314029592 /nfs/dbraw/zinc/02/95/92/314029592.db2.gz GRYDHQJPHUYMCQ-SMDDNHRTSA-N 1 0 298.346 2.383 20 5 CEBDRO COC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000570284627 314032303 /nfs/dbraw/zinc/03/23/03/314032303.db2.gz IFKDWFVCMHWHIE-GQCTYLIASA-N 1 0 290.319 2.293 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC1CC1)C1CCC1 ZINC000570378611 314036301 /nfs/dbraw/zinc/03/63/01/314036301.db2.gz MCTFLKRJYSCRNB-UHFFFAOYSA-N 1 0 264.329 2.093 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC=CCC2)c1 ZINC000570625963 314049526 /nfs/dbraw/zinc/04/95/26/314049526.db2.gz SFZLFTORRSQCHR-JSGCOSHPSA-N 1 0 292.335 2.033 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000574137693 314189121 /nfs/dbraw/zinc/18/91/21/314189121.db2.gz DLOJKROKOPTUMP-IUCAKERBSA-N 1 0 280.303 2.166 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)O ZINC000577389106 314372224 /nfs/dbraw/zinc/37/22/24/314372224.db2.gz VUNMTCRLGOIBND-JIMOISOXSA-N 1 0 264.325 2.331 20 5 CEBDRO CSCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192988803 321799196 /nfs/dbraw/zinc/79/91/96/321799196.db2.gz FZDKAHNNTIGFAP-UHFFFAOYSA-N 1 0 281.381 2.080 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000382410166 321839128 /nfs/dbraw/zinc/83/91/28/321839128.db2.gz DGTDOMQTSDSYLZ-JGVFFNPUSA-N 1 0 293.352 2.281 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)C ZINC000558256374 327083306 /nfs/dbraw/zinc/08/33/06/327083306.db2.gz IDRWUMWOTSXFFB-LLVKDONJSA-N 1 0 251.330 2.115 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396668221 329317023 /nfs/dbraw/zinc/31/70/23/329317023.db2.gz QUPXHSXBQLVYFK-NSHDSACASA-N 1 0 280.324 2.131 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732891 335877021 /nfs/dbraw/zinc/87/70/21/335877021.db2.gz BAXJLGORLJTGIW-OUCADQQQSA-N 1 0 262.309 2.349 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174874238 533733480 /nfs/dbraw/zinc/73/34/80/533733480.db2.gz GPJDPQOQMWVZSV-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000414660460 534341027 /nfs/dbraw/zinc/34/10/27/534341027.db2.gz ODPZFTHJNRPPDX-LLVKDONJSA-N 1 0 280.328 2.008 20 5 CEBDRO C[C@H](CC[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000049553542 524165587 /nfs/dbraw/zinc/16/55/87/524165587.db2.gz UXWFJRUKPFZHCG-LLVKDONJSA-N 1 0 251.330 2.025 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCSCC1 ZINC000183252219 525562809 /nfs/dbraw/zinc/56/28/09/525562809.db2.gz JNQJZMKHKCNPHA-UHFFFAOYSA-N 1 0 252.339 2.452 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070172023 525580045 /nfs/dbraw/zinc/58/00/45/525580045.db2.gz OSNDMKGJFCVDQA-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183482438 525661557 /nfs/dbraw/zinc/66/15/57/525661557.db2.gz CEAMGMNIOIADMO-ZDUSSCGKSA-N 1 0 284.381 2.107 20 5 CEBDRO Cc1c(CN2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919503 525708926 /nfs/dbraw/zinc/70/89/26/525708926.db2.gz BAUSBYCXBLGEEJ-SMDDNHRTSA-N 1 0 277.368 2.320 20 5 CEBDRO Cc1c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919625 525710080 /nfs/dbraw/zinc/71/00/80/525710080.db2.gz BAUSBYCXBLGEEJ-BXUZGUMPSA-N 1 0 277.368 2.320 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000149573313 525727083 /nfs/dbraw/zinc/72/70/83/525727083.db2.gz GQGJQDMUQMBRDS-CMPLNLGQSA-N 1 0 250.298 2.170 20 5 CEBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000054603322 527035594 /nfs/dbraw/zinc/03/55/94/527035594.db2.gz LJEZDMCATUTCBL-BETUJISGSA-N 1 0 260.293 2.291 20 5 CEBDRO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412026163 528268798 /nfs/dbraw/zinc/26/87/98/528268798.db2.gz IXELBPMEUTYSOM-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO CC[C@@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193283307 535803711 /nfs/dbraw/zinc/80/37/11/535803711.db2.gz NTVJMCSAIKHDJL-CYBMUJFWSA-N 1 0 252.314 2.408 20 5 CEBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000728562291 574467368 /nfs/dbraw/zinc/46/73/68/574467368.db2.gz KRWJTGXDQZADQD-LBPRGKRZSA-N 1 0 264.329 2.240 20 5 CEBDRO Cc1ncsc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000742369636 575017609 /nfs/dbraw/zinc/01/76/09/575017609.db2.gz AWYNHWMAHXIGNB-GFCCVEGCSA-N 1 0 293.348 2.183 20 5 CEBDRO CC(C)(C)[NH2+]Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000090299967 622640074 /nfs/dbraw/zinc/64/00/74/622640074.db2.gz KVBLARAPMSDCIR-UHFFFAOYSA-N 1 0 275.312 2.064 20 5 CEBDRO C[NH+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000308638657 623907811 /nfs/dbraw/zinc/90/78/11/623907811.db2.gz WEWIGQQJFQDAEW-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000044512957 624894279 /nfs/dbraw/zinc/89/42/79/624894279.db2.gz KLCQXESMLGJQSB-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC2CC2)cc1 ZINC000161563820 625779992 /nfs/dbraw/zinc/77/99/92/625779992.db2.gz DJQYXDBCRMJOSN-AWEZNQCLSA-N 1 0 264.325 2.408 20 5 CEBDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621184 627317654 /nfs/dbraw/zinc/31/76/54/627317654.db2.gz HMEDHDLAFNRGTO-UWVGGRQHSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833696 627717797 /nfs/dbraw/zinc/71/77/97/627717797.db2.gz BGDJOGJQVANBGR-UMNHJUIQSA-N 1 0 250.298 2.280 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000295252209 628045772 /nfs/dbraw/zinc/04/57/72/628045772.db2.gz QNODLUZVLRNISO-GFCCVEGCSA-N 1 0 268.288 2.391 20 5 CEBDRO CC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000092630595 628238452 /nfs/dbraw/zinc/23/84/52/628238452.db2.gz ADYNWTIGXPLDBH-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000261735117 629170295 /nfs/dbraw/zinc/17/02/95/629170295.db2.gz KNZOULRPDHOWAB-ZETCQYMHSA-N 1 0 296.714 2.449 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000791052532 629239905 /nfs/dbraw/zinc/23/99/05/629239905.db2.gz OXPTTYFZZICWAS-CYBMUJFWSA-N 1 0 252.289 2.109 20 5 CEBDRO Cc1cnc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000894796868 629645231 /nfs/dbraw/zinc/64/52/31/629645231.db2.gz GFPIYHXTGLNGAD-HUUCEWRRSA-N 1 0 290.367 2.076 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894895588 629732875 /nfs/dbraw/zinc/73/28/75/629732875.db2.gz QSXGTYAKQFAQES-JTQLQIEISA-N 1 0 298.339 2.071 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000902673781 634770363 /nfs/dbraw/zinc/77/03/63/634770363.db2.gz IHONWURTLXSNGY-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000895740943 630320350 /nfs/dbraw/zinc/32/03/50/630320350.db2.gz UWZLIKYAHVBORR-ZWNOBZJWSA-N 1 0 279.340 2.246 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000895738750 630328512 /nfs/dbraw/zinc/32/85/12/630328512.db2.gz ZIQBEZOMFUAFLT-NOZJJQNGSA-N 1 0 277.324 2.302 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895831270 630370250 /nfs/dbraw/zinc/37/02/50/630370250.db2.gz ZPAHSBJIKIMXTJ-UHFFFAOYSA-N 1 0 298.726 2.289 20 5 CEBDRO CCO[C@@H](CNc1ccc([N+](=O)[O-])cc1C)C[NH+](C)C ZINC000896115949 630468770 /nfs/dbraw/zinc/46/87/70/630468770.db2.gz CIMWUZJMTJKMQR-ZDUSSCGKSA-N 1 0 281.356 2.282 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000896912919 630797505 /nfs/dbraw/zinc/79/75/05/630797505.db2.gz JSRIGZDQHVLDNV-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000320558228 630933007 /nfs/dbraw/zinc/93/30/07/630933007.db2.gz QLPHAGPTUZFYBF-JGVFFNPUSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925155315 631123991 /nfs/dbraw/zinc/12/39/91/631123991.db2.gz VBPKLMGFOFXFKT-VXGBXAGGSA-N 1 0 278.352 2.398 20 5 CEBDRO CC[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017273 631225549 /nfs/dbraw/zinc/22/55/49/631225549.db2.gz YAZVFJRXDNHTAE-RKDXNWHRSA-N 1 0 256.277 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1 ZINC000902853025 634853632 /nfs/dbraw/zinc/85/36/32/634853632.db2.gz HCIZPJLCMXQEDW-AALSBFMBSA-N 1 0 288.347 2.498 20 5 CEBDRO COCCOC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460582 631531227 /nfs/dbraw/zinc/53/12/27/631531227.db2.gz UQZNWQBPMGPAPC-OLZOCXBDSA-N 1 0 296.367 2.339 20 5 CEBDRO CCn1nncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897461569 631532202 /nfs/dbraw/zinc/53/22/02/631532202.db2.gz RXVRBJZUZIMINC-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@@H](C[NH2+][C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897466435 631533048 /nfs/dbraw/zinc/53/30/48/631533048.db2.gz UMRVAARCJSIYGP-RYUDHWBXSA-N 1 0 264.325 2.467 20 5 CEBDRO C[C@H](C[NH2+]Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000897469077 631536035 /nfs/dbraw/zinc/53/60/35/631536035.db2.gz CSHRTDSHQYFEQE-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO C[C@H](CC[NH+](C)C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804387635 631675289 /nfs/dbraw/zinc/67/52/89/631675289.db2.gz DSYSKDGTSZTGJH-SECBINFHSA-N 1 0 282.300 2.255 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503926 631696328 /nfs/dbraw/zinc/69/63/28/631696328.db2.gz JUAABWHZOJSDTL-ZJUUUORDSA-N 1 0 294.311 2.398 20 5 CEBDRO CC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000080108569 631762398 /nfs/dbraw/zinc/76/23/98/631762398.db2.gz QUFNSTZYJZPTRY-CYBMUJFWSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cccc1[N+](=O)[O-] ZINC000897809327 631925048 /nfs/dbraw/zinc/92/50/48/631925048.db2.gz ITTBVHCZPWPFSN-MIBAYGRRSA-N 1 0 274.320 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC(CCO)C2)c1 ZINC000898007938 631999233 /nfs/dbraw/zinc/99/92/33/631999233.db2.gz LFOXVUZAGROPEU-UHFFFAOYSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000898206438 632086829 /nfs/dbraw/zinc/08/68/29/632086829.db2.gz PGGLTGQZBDMJRJ-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1Cl ZINC000809739550 632135484 /nfs/dbraw/zinc/13/54/84/632135484.db2.gz NXUUWMIHPKMFHX-LBPRGKRZSA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841063489 632374974 /nfs/dbraw/zinc/37/49/74/632374974.db2.gz KRHYXRVXMBQXEB-CABZTGNLSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000812294943 632504531 /nfs/dbraw/zinc/50/45/31/632504531.db2.gz CDMHEGINGAEZNP-ZDUSSCGKSA-N 1 0 290.323 2.013 20 5 CEBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962255 633804300 /nfs/dbraw/zinc/80/43/00/633804300.db2.gz KAAKUVNEKWSKSK-ZYHUDNBSSA-N 1 0 280.372 2.345 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819192082 634099133 /nfs/dbraw/zinc/09/91/33/634099133.db2.gz WZXYFCZRGVMBJF-OCCSQVGLSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000819218394 634107222 /nfs/dbraw/zinc/10/72/22/634107222.db2.gz ONMAORSLEURJKD-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819246394 634116000 /nfs/dbraw/zinc/11/60/00/634116000.db2.gz AFNSEQDLOAPRIK-UONOGXRCSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350495 634149475 /nfs/dbraw/zinc/14/94/75/634149475.db2.gz OPGQKIBJSAKOAA-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056191 634948594 /nfs/dbraw/zinc/94/85/94/634948594.db2.gz RIOYOQFVTLXCHI-ZWNOBZJWSA-N 1 0 280.324 2.433 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903076315 634958015 /nfs/dbraw/zinc/95/80/15/634958015.db2.gz NDUUUXOMBTYJLD-WDEREUQCSA-N 1 0 280.324 2.291 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000822807831 635000332 /nfs/dbraw/zinc/00/03/32/635000332.db2.gz IDGCNIGEPJJGDB-SNVBAGLBSA-N 1 0 288.307 2.105 20 5 CEBDRO C[C@@H](C[NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000903244839 635026135 /nfs/dbraw/zinc/02/61/35/635026135.db2.gz FHKUUWRWPGIWER-YDHLFZDLSA-N 1 0 289.379 2.382 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000903246177 635027604 /nfs/dbraw/zinc/02/76/04/635027604.db2.gz RVUVQMGTQLINAP-GHMZBOCLSA-N 1 0 289.339 2.178 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317005 635063881 /nfs/dbraw/zinc/06/38/81/635063881.db2.gz RXFSFJWNTXBDPU-VHSXEESVSA-N 1 0 267.304 2.089 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317006 635064099 /nfs/dbraw/zinc/06/40/99/635064099.db2.gz RXFSFJWNTXBDPU-ZJUUUORDSA-N 1 0 267.304 2.089 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000903393775 635090427 /nfs/dbraw/zinc/09/04/27/635090427.db2.gz STQYFPZVBHOWMX-KWBADKCTSA-N 1 0 280.324 2.289 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1c(F)cccc1[N+](=O)[O-] ZINC000903856415 635307276 /nfs/dbraw/zinc/30/72/76/635307276.db2.gz RHYONWHEFITMKG-IINYFYTJSA-N 1 0 279.315 2.047 20 5 CEBDRO Cc1c(CN2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903863325 635313987 /nfs/dbraw/zinc/31/39/87/635313987.db2.gz BNJAKMYJLVLPPR-OAHLLOKOSA-N 1 0 275.352 2.231 20 5 CEBDRO CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000903984453 635402775 /nfs/dbraw/zinc/40/27/75/635402775.db2.gz AUOOVLGMXDICBQ-VSKVDJIOSA-N 1 0 275.352 2.277 20 5 CEBDRO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH3+] ZINC000903987327 635405431 /nfs/dbraw/zinc/40/54/31/635405431.db2.gz ZRWGIERVBJTYIB-GFCCVEGCSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@]1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CCC[NH2+]1 ZINC000904688413 635699357 /nfs/dbraw/zinc/69/93/57/635699357.db2.gz AVDZPLBYMFJBMG-LLVKDONJSA-N 1 0 280.309 2.305 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000905246682 636171020 /nfs/dbraw/zinc/17/10/20/636171020.db2.gz FLNKNEHCASHQCX-DGCLKSJQSA-N 1 0 252.289 2.328 20 5 CEBDRO O=[N+]([O-])CCNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000905262841 636182088 /nfs/dbraw/zinc/18/20/88/636182088.db2.gz KGJHPJXNDCOIQJ-INIZCTEOSA-N 1 0 291.395 2.155 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000905667902 636374141 /nfs/dbraw/zinc/37/41/41/636374141.db2.gz RRZVEVCBYGMXOH-CJYSPXJISA-N 1 0 276.336 2.406 20 5 CEBDRO O=C(CC[NH2+]C/C=C/Cl)Nc1ccccc1[N+](=O)[O-] ZINC000905707507 636399464 /nfs/dbraw/zinc/39/94/64/636399464.db2.gz KCUJVJBSYJSINM-XVNBXDOJSA-N 1 0 283.715 2.266 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000876545601 650316236 /nfs/dbraw/zinc/31/62/36/650316236.db2.gz PESJRWHZCDIDBX-PWSUYJOCSA-N 1 0 277.324 2.215 20 5 CEBDRO Cc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000876545872 650317363 /nfs/dbraw/zinc/31/73/63/650317363.db2.gz WVDDQZXHNQETQR-HIFRSBDPSA-N 1 0 289.335 2.374 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CO)CC1 ZINC000876563974 650332163 /nfs/dbraw/zinc/33/21/63/650332163.db2.gz HFKCSTWPZVGDGS-UHFFFAOYSA-N 1 0 278.352 2.416 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832272434 637530049 /nfs/dbraw/zinc/53/00/49/637530049.db2.gz LAVHEFYQLNNASR-LBPRGKRZSA-N 1 0 287.404 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000834382181 637806473 /nfs/dbraw/zinc/80/64/73/637806473.db2.gz FTTLXGKGXRUIRO-KGLIPLIRSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834860009 637974067 /nfs/dbraw/zinc/97/40/67/637974067.db2.gz MUUBMXNSZNFHKN-JTQLQIEISA-N 1 0 277.324 2.174 20 5 CEBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000835062036 638045043 /nfs/dbraw/zinc/04/50/43/638045043.db2.gz XOPPZOLJAOBLLK-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000876690010 650401619 /nfs/dbraw/zinc/40/16/19/650401619.db2.gz DZLLQEJMSNRBLQ-GFCCVEGCSA-N 1 0 264.325 2.432 20 5 CEBDRO Cc1ccc(COC(=O)[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000835479041 638273600 /nfs/dbraw/zinc/27/36/00/638273600.db2.gz FRCYAFCDDYAVPU-ZDUSSCGKSA-N 1 0 292.335 2.431 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC[C@@H](C)O ZINC000876746745 650417113 /nfs/dbraw/zinc/41/71/13/650417113.db2.gz VULYTYBJJDWMEG-LLVKDONJSA-N 1 0 266.341 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000876934915 650492458 /nfs/dbraw/zinc/49/24/58/650492458.db2.gz LZNQEZPKBCNKLX-ZJUUUORDSA-N 1 0 279.340 2.067 20 5 CEBDRO CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000165029843 639411373 /nfs/dbraw/zinc/41/13/73/639411373.db2.gz NGFOYKRWGXWXBC-QWHCGFSZSA-N 1 0 296.371 2.274 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000226439093 639546055 /nfs/dbraw/zinc/54/60/55/639546055.db2.gz BRHSFPZLXXZJCQ-BREBYQMCSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109152 639617585 /nfs/dbraw/zinc/61/75/85/639617585.db2.gz FKNBHNRMHLOVCH-RKDXNWHRSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035713 639627674 /nfs/dbraw/zinc/62/76/74/639627674.db2.gz KSCNNFKXUFEMAN-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841058016 639635553 /nfs/dbraw/zinc/63/55/53/639635553.db2.gz DWDAIRJIZHZISK-BXKDBHETSA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000841061443 639638369 /nfs/dbraw/zinc/63/83/69/639638369.db2.gz JIEJOXUZCIWWFX-BXKDBHETSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076727 639647316 /nfs/dbraw/zinc/64/73/16/639647316.db2.gz NCFUFQNGFBSQHJ-YUMQZZPRSA-N 1 0 257.721 2.074 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104241 639673025 /nfs/dbraw/zinc/67/30/25/639673025.db2.gz VWEGTJXZRNDDDW-RNFRBKRXSA-N 1 0 286.719 2.105 20 5 CEBDRO Cc1c(C[NH2+]CC[C@H](C)[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000229807998 639719887 /nfs/dbraw/zinc/71/98/87/639719887.db2.gz LPNCZVQBNSJPAB-APBUJDDRSA-N 1 0 284.381 2.150 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000231306021 639845878 /nfs/dbraw/zinc/84/58/78/639845878.db2.gz LPJCDPMLDYOGGU-CHWSQXEVSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1cccc(CN(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000231446586 639855156 /nfs/dbraw/zinc/85/51/56/639855156.db2.gz CWMPUPLDOZCAII-CYBMUJFWSA-N 1 0 275.352 2.311 20 5 CEBDRO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000929425139 639940578 /nfs/dbraw/zinc/94/05/78/639940578.db2.gz RFLRSZLOGVSZML-LSDHHAIUSA-N 1 0 278.352 2.363 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476427 640076715 /nfs/dbraw/zinc/07/67/15/640076715.db2.gz OEAQOJKEXULVDC-GPCCPHFNSA-N 1 0 281.331 2.210 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N)n1 ZINC000842586149 640110463 /nfs/dbraw/zinc/11/04/63/640110463.db2.gz IYAICEAOFKSTEH-LLVKDONJSA-N 1 0 291.311 2.273 20 5 CEBDRO CSC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877065462 650556276 /nfs/dbraw/zinc/55/62/76/650556276.db2.gz NSHKNXXNDLMYFE-UHFFFAOYSA-N 1 0 284.385 2.226 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930570 640222218 /nfs/dbraw/zinc/22/22/18/640222218.db2.gz YQYRNQDFCSXOOY-WCABBAIRSA-N 1 0 265.313 2.005 20 5 CEBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843084193 640274764 /nfs/dbraw/zinc/27/47/64/640274764.db2.gz VUECUXMJOCKUPO-ZIAGYGMSSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000843117494 640287103 /nfs/dbraw/zinc/28/71/03/640287103.db2.gz ZAESLMDTJWEDOU-ZNMIVQPWSA-N 1 0 296.367 2.013 20 5 CEBDRO O=[N+]([O-])c1cccc(Cc2nc(C3CC[NH2+]CC3)no2)c1 ZINC000843137690 640301069 /nfs/dbraw/zinc/30/10/69/640301069.db2.gz JBGNQAWGEHIMQJ-UHFFFAOYSA-N 1 0 288.307 2.036 20 5 CEBDRO C[NH2+]CCCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187698 640338754 /nfs/dbraw/zinc/33/87/54/640338754.db2.gz SULGDGZLGJKCDG-UHFFFAOYSA-N 1 0 276.296 2.105 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000843191049 640341893 /nfs/dbraw/zinc/34/18/93/640341893.db2.gz AWZSMTDDABIPFN-VIFPVBQESA-N 1 0 290.323 2.200 20 5 CEBDRO C[NH2+]CCCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843192110 640343008 /nfs/dbraw/zinc/34/30/08/640343008.db2.gz QOYLERFSROBVRY-UHFFFAOYSA-N 1 0 290.323 2.029 20 5 CEBDRO Cc1c(Cc2noc(CCCC[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843191391 640343432 /nfs/dbraw/zinc/34/34/32/640343432.db2.gz GULLFNUOVXPVJA-UHFFFAOYSA-N 1 0 290.323 2.158 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000914432806 640403590 /nfs/dbraw/zinc/40/35/90/640403590.db2.gz FEKOTSJZKZTNLZ-OLZOCXBDSA-N 1 0 292.335 2.118 20 5 CEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCCC[NH3+])CC2 ZINC000843493458 640442774 /nfs/dbraw/zinc/44/27/74/640442774.db2.gz DHVCQGINXKKPCM-UHFFFAOYSA-N 1 0 291.351 2.311 20 5 CEBDRO CC1(C)C[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000232868277 640844226 /nfs/dbraw/zinc/84/42/26/640844226.db2.gz HEQSURRMTBUKHN-WCQYABFASA-N 1 0 264.325 2.264 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877185853 650615160 /nfs/dbraw/zinc/61/51/60/650615160.db2.gz WAUHPXNHZSKFTD-QWHCGFSZSA-N 1 0 278.352 2.414 20 5 CEBDRO CCC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000233032588 641301291 /nfs/dbraw/zinc/30/12/91/641301291.db2.gz RKEDTFUBVCYDAE-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000070142641 641635152 /nfs/dbraw/zinc/63/51/52/641635152.db2.gz GOAKGALSPBIDAI-LBPRGKRZSA-N 1 0 262.265 2.011 20 5 CEBDRO O=C(CC[NH2+]C1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000848407499 641980711 /nfs/dbraw/zinc/98/07/11/641980711.db2.gz QANOHEMGAPMOOP-UHFFFAOYSA-N 1 0 297.742 2.007 20 5 CEBDRO [NH2+]=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000848982712 642205220 /nfs/dbraw/zinc/20/52/20/642205220.db2.gz FEWBZJSUMPPWAQ-UHFFFAOYSA-N 1 0 291.355 2.063 20 5 CEBDRO COC1CC(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000849327415 642331233 /nfs/dbraw/zinc/33/12/33/642331233.db2.gz LOQQSMQLJRAIJT-KWCHVYNWSA-N 1 0 294.351 2.033 20 5 CEBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850555114 642751553 /nfs/dbraw/zinc/75/15/53/642751553.db2.gz MDRRHIBASSNRCW-WCQYABFASA-N 1 0 292.383 2.312 20 5 CEBDRO COC(OC)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922312456 643019833 /nfs/dbraw/zinc/01/98/33/643019833.db2.gz YYZJAHIYYBWIHC-BPOWMSRESA-N 1 0 280.324 2.205 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899167 643215208 /nfs/dbraw/zinc/21/52/08/643215208.db2.gz YSICFBZSHPIUPP-XHDPSFHLSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852560684 643472873 /nfs/dbraw/zinc/47/28/73/643472873.db2.gz BLVQNHNHFUGKBY-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000923441209 643718003 /nfs/dbraw/zinc/71/80/03/643718003.db2.gz IQUNIMQMSCKBRN-AGIUHOORSA-N 1 0 293.367 2.044 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000853748498 643887364 /nfs/dbraw/zinc/88/73/64/643887364.db2.gz ODVNYKBFAHKBGN-NSHDSACASA-N 1 0 278.356 2.462 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877741236 650883625 /nfs/dbraw/zinc/88/36/25/650883625.db2.gz ACWQKXYWGYKCLR-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877743433 650889106 /nfs/dbraw/zinc/88/91/06/650889106.db2.gz KNMMWISUIDGJCD-LSDHHAIUSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000757702859 644838237 /nfs/dbraw/zinc/83/82/37/644838237.db2.gz FUNAAGXTZLPXHR-DOMZBBRYSA-N 1 0 289.379 2.476 20 5 CEBDRO Cc1nc(N2CCC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000760455248 645159553 /nfs/dbraw/zinc/15/95/53/645159553.db2.gz HCJGSMNWSQBAEN-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761982484 645346099 /nfs/dbraw/zinc/34/60/99/645346099.db2.gz VMMYRLYZKJFJHY-NSHDSACASA-N 1 0 293.323 2.021 20 5 CEBDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000859319165 645456004 /nfs/dbraw/zinc/45/60/04/645456004.db2.gz MEVABGWAMUXRTC-LBPRGKRZSA-N 1 0 294.351 2.441 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768525729 646135980 /nfs/dbraw/zinc/13/59/80/646135980.db2.gz KWKCIVKOZZQOAF-VHSXEESVSA-N 1 0 294.311 2.032 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000771799914 646551372 /nfs/dbraw/zinc/55/13/72/646551372.db2.gz NIGGZXRVDGIRGR-LBPRGKRZSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000771799913 646551396 /nfs/dbraw/zinc/55/13/96/646551396.db2.gz NIGGZXRVDGIRGR-GFCCVEGCSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000863484601 646740348 /nfs/dbraw/zinc/74/03/48/646740348.db2.gz JWJGPRJJECUFDL-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](C)[NH3+] ZINC000863568455 646758585 /nfs/dbraw/zinc/75/85/85/646758585.db2.gz MKDBNIBGDRZMNU-WDEREUQCSA-N 1 0 251.330 2.243 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC=CC2)c1 ZINC000863571230 646759797 /nfs/dbraw/zinc/75/97/97/646759797.db2.gz SSAIWXWDNHZADQ-CQSZACIVSA-N 1 0 262.309 2.184 20 5 CEBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775180559 646928728 /nfs/dbraw/zinc/92/87/28/646928728.db2.gz ZZDDXRHZQGCXLX-WPRPVWTQSA-N 1 0 260.297 2.359 20 5 CEBDRO CCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275136 647044736 /nfs/dbraw/zinc/04/47/36/647044736.db2.gz GJESHZUXRWBFQO-HNNXBMFYSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776578478 647072886 /nfs/dbraw/zinc/07/28/86/647072886.db2.gz GFPVSUYLVMIKGK-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO CCC[N@H+](CC)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865577273 647367905 /nfs/dbraw/zinc/36/79/05/647367905.db2.gz GYXLTCDMPNDNTG-UHFFFAOYSA-N 1 0 299.346 2.370 20 5 CEBDRO Cc1ccc(N2CC([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000865936559 647543894 /nfs/dbraw/zinc/54/38/94/647543894.db2.gz DPUIHDQRQVCIOG-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CO[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783019033 647670628 /nfs/dbraw/zinc/67/06/28/647670628.db2.gz TXWBCYPGGQJPAU-GJZGRUSLSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866209868 647674145 /nfs/dbraw/zinc/67/41/45/647674145.db2.gz WSXZDTGKTKPTAZ-RYUDHWBXSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000866242644 647690717 /nfs/dbraw/zinc/69/07/17/647690717.db2.gz OFSUAFZIMLBKJV-GHMZBOCLSA-N 1 0 282.315 2.291 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccon1 ZINC000866277571 647712991 /nfs/dbraw/zinc/71/29/91/647712991.db2.gz FJFSVJVLLOIOIG-SECBINFHSA-N 1 0 279.271 2.443 20 5 CEBDRO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783598544 647735345 /nfs/dbraw/zinc/73/53/45/647735345.db2.gz HVAQYHOFSVUARM-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866446290 647790682 /nfs/dbraw/zinc/79/06/82/647790682.db2.gz DXSXBWYMOIYIRI-DNJQJEMRSA-N 1 0 279.340 2.394 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000866489249 647802858 /nfs/dbraw/zinc/80/28/58/647802858.db2.gz HKPNEVNXYGBENB-WFBYXXMGSA-N 1 0 282.315 2.168 20 5 CEBDRO C/C(=C\C(=O)NC[C@H](C)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785204251 647913991 /nfs/dbraw/zinc/91/39/91/647913991.db2.gz KEXFCZNDRDNOEV-ZKQHCESOSA-N 1 0 291.351 2.064 20 5 CEBDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000785583652 647938118 /nfs/dbraw/zinc/93/81/18/647938118.db2.gz REVKATHGDUEQJR-LBPRGKRZSA-N 1 0 299.758 2.108 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\Cl)CC2)n1 ZINC000785853349 647963210 /nfs/dbraw/zinc/96/32/10/647963210.db2.gz ADQTZYBZMGZODD-KTAJNNJTSA-N 1 0 270.720 2.181 20 5 CEBDRO C[C@]([NH3+])(C(=O)NCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867927962 647991759 /nfs/dbraw/zinc/99/17/59/647991759.db2.gz SLLPRZBARZYCPF-OAHLLOKOSA-N 1 0 291.351 2.075 20 5 CEBDRO CCC[C@@H](CC)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943501 647996582 /nfs/dbraw/zinc/99/65/82/647996582.db2.gz XLGARVIFPWTFBI-IUODEOHRSA-N 1 0 293.367 2.464 20 5 CEBDRO C[C@@H]1CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956616 648001386 /nfs/dbraw/zinc/00/13/86/648001386.db2.gz SDDOCIDSSUTYFP-RIEGTJTDSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789757280 648338523 /nfs/dbraw/zinc/33/85/23/648338523.db2.gz LAQMJAZDDWOLBF-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000789943514 648361340 /nfs/dbraw/zinc/36/13/40/648361340.db2.gz ZFHBEBVAKPCACI-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000790542705 648428935 /nfs/dbraw/zinc/42/89/35/648428935.db2.gz LNQLZXOHPCDYEO-CYBMUJFWSA-N 1 0 291.351 2.002 20 5 CEBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC[N+](=O)[O-] ZINC000791052945 648476089 /nfs/dbraw/zinc/47/60/89/648476089.db2.gz PTLYRWMCGBEUGN-ZYHUDNBSSA-N 1 0 252.289 2.280 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000791051600 648476381 /nfs/dbraw/zinc/47/63/81/648476381.db2.gz GJGCFELTKYTTAD-GFCCVEGCSA-N 1 0 266.366 2.377 20 5 CEBDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000792200382 648624831 /nfs/dbraw/zinc/62/48/31/648624831.db2.gz ICMUOKOOQIWFSI-ZYHUDNBSSA-N 1 0 278.308 2.026 20 5 CEBDRO CCC[C@@H]1C[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870913568 648952806 /nfs/dbraw/zinc/95/28/06/648952806.db2.gz XBAFKISEZWLSLM-YVLXSGLVSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024602 649244224 /nfs/dbraw/zinc/24/42/24/649244224.db2.gz UHVDNEMZPPKSCD-MNOVXSKESA-N 1 0 281.331 2.479 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043364 649251487 /nfs/dbraw/zinc/25/14/87/649251487.db2.gz XECKAHQKVFSHML-GXSJLCMTSA-N 1 0 270.304 2.401 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062211 649258649 /nfs/dbraw/zinc/25/86/49/649258649.db2.gz LAKGDYZIEFSDHA-IINYFYTJSA-N 1 0 298.314 2.190 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126002 649284969 /nfs/dbraw/zinc/28/49/69/649284969.db2.gz HBJGBPVETSRFCQ-GVXVVHGQSA-N 1 0 264.325 2.325 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872243565 649326585 /nfs/dbraw/zinc/32/65/85/649326585.db2.gz PHYLOITYMVUZKJ-ZIAGYGMSSA-N 1 0 294.351 2.033 20 5 CEBDRO O=C(CC[NH2+][C@H]1CC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000872251592 649328853 /nfs/dbraw/zinc/32/88/53/649328853.db2.gz OTRQERWSDFJWAH-ZDUSSCGKSA-N 1 0 289.335 2.456 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccccc1[N+](=O)[O-] ZINC000872779278 649485891 /nfs/dbraw/zinc/48/58/91/649485891.db2.gz DVUMIYXQFZGUKR-NWDGAFQWSA-N 1 0 261.325 2.268 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccccc1[N+](=O)[O-] ZINC000872779279 649486119 /nfs/dbraw/zinc/48/61/19/649486119.db2.gz DVUMIYXQFZGUKR-RYUDHWBXSA-N 1 0 261.325 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000873020258 649532833 /nfs/dbraw/zinc/53/28/33/649532833.db2.gz LRYOWTJRVQVPRT-CYBMUJFWSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C)C1 ZINC000873043629 649541822 /nfs/dbraw/zinc/54/18/22/649541822.db2.gz PPHVXMBIXSMMJM-LBPRGKRZSA-N 1 0 263.341 2.005 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058577 649545758 /nfs/dbraw/zinc/54/57/58/649545758.db2.gz QQBBSNSSQUMRQT-SMDDNHRTSA-N 1 0 298.408 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000873113219 649559660 /nfs/dbraw/zinc/55/96/60/649559660.db2.gz UVKJMJCKCSHXIV-CHWSQXEVSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000873109223 649559764 /nfs/dbraw/zinc/55/97/64/649559764.db2.gz HVTMFHNMZHSUKS-CYBMUJFWSA-N 1 0 286.335 2.204 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCO ZINC000873115717 649560559 /nfs/dbraw/zinc/56/05/59/649560559.db2.gz SBBLEHUSWXPNHA-UHFFFAOYSA-N 1 0 252.314 2.074 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000873163269 649576007 /nfs/dbraw/zinc/57/60/07/649576007.db2.gz NYQHWOMCWYBPMM-GFCCVEGCSA-N 1 0 278.308 2.028 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000873299219 649633287 /nfs/dbraw/zinc/63/32/87/649633287.db2.gz OZMJGOHSOQYJAR-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC[S@](C)=O ZINC000127157463 651110710 /nfs/dbraw/zinc/11/07/10/651110710.db2.gz KMRSUGCQZLPTQF-MPBGBICISA-N 1 0 298.408 2.274 20 5 CEBDRO C[C@](CO)([NH2+]C[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000879274546 651274758 /nfs/dbraw/zinc/27/47/58/651274758.db2.gz RZBDWLYYSCSNIA-CYBMUJFWSA-N 1 0 282.416 2.269 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879564762 651322381 /nfs/dbraw/zinc/32/23/81/651322381.db2.gz LNUFMVPAOMNXBK-UWVGGRQHSA-N 1 0 283.353 2.076 20 5 CEBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880471250 651446501 /nfs/dbraw/zinc/44/65/01/651446501.db2.gz YDRNHMKVFHPBBL-QWRGUYRKSA-N 1 0 283.328 2.186 20 5 CEBDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227441 651641522 /nfs/dbraw/zinc/64/15/22/651641522.db2.gz WIFNVGBUJOHXRC-SNVBAGLBSA-N 1 0 295.730 2.298 20 5 CEBDRO CC[N@@H+]1CC[C@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000882958691 652289054 /nfs/dbraw/zinc/28/90/54/652289054.db2.gz HVPZPTSJVMUXSQ-LBPRGKRZSA-N 1 0 286.335 2.071 20 5 CEBDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130870674 652350704 /nfs/dbraw/zinc/35/07/04/652350704.db2.gz YFPOXZRECGYKJX-WLRWDXFRSA-N 1 0 284.381 2.322 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883356172 652440450 /nfs/dbraw/zinc/44/04/50/652440450.db2.gz HXRKOONQNDEJPD-BXUZGUMPSA-N 1 0 295.358 2.349 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C(C)C)c1C ZINC000884025620 652636433 /nfs/dbraw/zinc/63/64/33/652636433.db2.gz BSHXNUIIEUSLGV-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000884029449 652640515 /nfs/dbraw/zinc/64/05/15/652640515.db2.gz MDQHBGFGUGBFMJ-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCCC1 ZINC000800173913 652673179 /nfs/dbraw/zinc/67/31/79/652673179.db2.gz YOZBFGIJMRPGAG-UHFFFAOYSA-N 1 0 292.335 2.166 20 5 CEBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000800183775 652678035 /nfs/dbraw/zinc/67/80/35/652678035.db2.gz IIOFIQGTRYXHLS-UHFFFAOYSA-N 1 0 293.323 2.023 20 5 CEBDRO CCC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134415243 652837959 /nfs/dbraw/zinc/83/79/59/652837959.db2.gz OIBKNKBKQUIQMZ-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccoc2)cc1 ZINC000134485945 652846804 /nfs/dbraw/zinc/84/68/04/652846804.db2.gz IALWYHXSPBNQHC-ZDUSSCGKSA-N 1 0 262.265 2.011 20 5 CEBDRO CC[C@H](O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000135050545 652917293 /nfs/dbraw/zinc/91/72/93/652917293.db2.gz JLORNIRIZIZTCU-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000884717301 652970082 /nfs/dbraw/zinc/97/00/82/652970082.db2.gz YESXAEKZOUAOJP-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001164630045 719152324 /nfs/dbraw/zinc/15/23/24/719152324.db2.gz FULNUZQBLJDRIJ-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(C)C)CC1 ZINC000268326984 719329162 /nfs/dbraw/zinc/32/91/62/719329162.db2.gz AAZOLGJJGSHISH-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H](C[NH+](C)C)Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227243994 805886271 /nfs/dbraw/zinc/88/62/71/805886271.db2.gz RJHINXKEKMRXKG-SSDOTTSWSA-N 1 0 293.245 2.338 20 5 CEBDRO CC1(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[NH2+]CC1 ZINC001168183318 806380626 /nfs/dbraw/zinc/38/06/26/806380626.db2.gz DEUBCVFBESOEBT-UHFFFAOYSA-N 1 0 290.367 2.423 20 5 CEBDRO COc1c(F)cc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168186369 806387711 /nfs/dbraw/zinc/38/77/11/806387711.db2.gz ZYYPNCRMBRBENF-UHFFFAOYSA-N 1 0 283.303 2.297 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC(F)(F)C2)cc1 ZINC000697457876 806390381 /nfs/dbraw/zinc/39/03/81/806390381.db2.gz ZHGWGJDLFSCFDK-LLVKDONJSA-N 1 0 272.251 2.016 20 5 CEBDRO CCN(CC)c1nc(C)cc(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229539831 806501246 /nfs/dbraw/zinc/50/12/46/806501246.db2.gz UKULZHYBNCDICK-ZDUSSCGKSA-N 1 0 281.424 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722592864 802324194 /nfs/dbraw/zinc/32/41/94/802324194.db2.gz FDJBQXSMXJFKNO-GHMZBOCLSA-N 1 0 277.324 2.087 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167275076 802622887 /nfs/dbraw/zinc/62/28/87/802622887.db2.gz CZHXEVJZTHTDIC-JTQLQIEISA-N 1 0 265.313 2.110 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000724123317 803047459 /nfs/dbraw/zinc/04/74/59/803047459.db2.gz WONZJGQFKKNDCO-STQMWFEESA-N 1 0 268.288 2.343 20 5 CEBDRO CN1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712582381 814754666 /nfs/dbraw/zinc/75/46/66/814754666.db2.gz QLJJEKOYPCPXRW-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1CC[NH2+]C1 ZINC000309486187 803557978 /nfs/dbraw/zinc/55/79/78/803557978.db2.gz XDNNSXWBDBZQQE-ZETCQYMHSA-N 1 0 287.113 2.098 20 5 CEBDRO CCOc1cc(OC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000722486066 804536017 /nfs/dbraw/zinc/53/60/17/804536017.db2.gz KKOQUVMBBICMIU-MNOVXSKESA-N 1 0 280.324 2.228 20 5 CEBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000716847162 815152941 /nfs/dbraw/zinc/15/29/41/815152941.db2.gz REXIMVQVCHCTBP-CMPLNLGQSA-N 1 0 282.340 2.243 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000699841827 807869313 /nfs/dbraw/zinc/86/93/13/807869313.db2.gz AAHWCTQLWHCMRU-PRHODGIISA-N 1 0 270.716 2.373 20 5 CEBDRO CCC1(Nc2ncc(F)c3cc([N+](=O)[O-])ccc32)C[NH2+]C1 ZINC001168583019 808668829 /nfs/dbraw/zinc/66/88/29/808668829.db2.gz DDHLCSGPRLMBTP-UHFFFAOYSA-N 1 0 290.298 2.446 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000700628003 809333330 /nfs/dbraw/zinc/33/33/30/809333330.db2.gz WNIFWXZERJFYIO-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000700628004 809333836 /nfs/dbraw/zinc/33/38/36/809333836.db2.gz WNIFWXZERJFYIO-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO CC1(C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000701067265 809385011 /nfs/dbraw/zinc/38/50/11/809385011.db2.gz CTJXAHBCMWMOFH-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO Nc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC001120863163 815286881 /nfs/dbraw/zinc/28/68/81/815286881.db2.gz XGLSNKHKIOAUNG-NWDGAFQWSA-N 1 0 291.355 2.001 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001120883597 815290819 /nfs/dbraw/zinc/29/08/19/815290819.db2.gz ITAHLCFEZFPHDA-WCQYABFASA-N 1 0 276.340 2.216 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702034566 809488228 /nfs/dbraw/zinc/48/82/28/809488228.db2.gz CVLORRSQIOYTIQ-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702040530 809489261 /nfs/dbraw/zinc/48/92/61/809489261.db2.gz ZXUUCDHDNGKUKU-JTQLQIEISA-N 1 0 299.758 2.351 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702044067 809490808 /nfs/dbraw/zinc/49/08/08/809490808.db2.gz BIXSJGPGNLEDDL-SCZZXKLOSA-N 1 0 297.742 2.105 20 5 CEBDRO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH3+] ZINC000702049959 809491040 /nfs/dbraw/zinc/49/10/40/809491040.db2.gz NEZWSFOOGWUPPY-WDEREUQCSA-N 1 0 297.742 2.104 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccns2)cs1 ZINC000709954520 809977625 /nfs/dbraw/zinc/97/76/25/809977625.db2.gz SXPDJJQBUDMZLX-UHFFFAOYSA-N 1 0 269.351 2.445 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969222 810008751 /nfs/dbraw/zinc/00/87/51/810008751.db2.gz WOATXAFJMQSKOR-MFKMUULPSA-N 1 0 280.324 2.397 20 5 CEBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001164281532 810338985 /nfs/dbraw/zinc/33/89/85/810338985.db2.gz GMWUUSZEOOEEOZ-MRVPVSSYSA-N 1 0 275.230 2.151 20 5 CEBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871883 810563124 /nfs/dbraw/zinc/56/31/24/810563124.db2.gz HFSHQCKFMXGIBS-QMMMGPOBSA-N 1 0 271.704 2.116 20 5 CEBDRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252430 815396308 /nfs/dbraw/zinc/39/63/08/815396308.db2.gz RIUGOUOALVFJMS-LLVKDONJSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC001122600071 815429623 /nfs/dbraw/zinc/42/96/23/815429623.db2.gz RFKHHSCIDYEBGP-NWDGAFQWSA-N 1 0 277.324 2.215 20 5 CEBDRO CC[C@]1(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC001122598947 815429769 /nfs/dbraw/zinc/42/97/69/815429769.db2.gz DXAKSYIUDMYODC-CQSZACIVSA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817095 811244563 /nfs/dbraw/zinc/24/45/63/811244563.db2.gz DBAKPHLYWQTKSI-SNVBAGLBSA-N 1 0 290.298 2.044 20 5 CEBDRO [NH3+]CCc1cnn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c1 ZINC001168948763 811300373 /nfs/dbraw/zinc/30/03/73/811300373.db2.gz AGOCSVTXEHIZOE-GQCTYLIASA-N 1 0 292.726 2.274 20 5 CEBDRO CC1(C)CC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)N1O ZINC001168976220 811304545 /nfs/dbraw/zinc/30/45/45/811304545.db2.gz ZSFONCLLDQIXLK-NEPJUHHUSA-N 1 0 299.415 2.432 20 5 CEBDRO CC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168984328 811310570 /nfs/dbraw/zinc/31/05/70/811310570.db2.gz MANOSVSZHNHOFB-DZGCQCFKSA-N 1 0 276.336 2.424 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]COc2ccccc2)C1 ZINC001168983744 811311016 /nfs/dbraw/zinc/31/10/16/811311016.db2.gz LCXPVFXPIJFTQL-VXGBXAGGSA-N 1 0 250.298 2.058 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001168958013 811312843 /nfs/dbraw/zinc/31/28/43/811312843.db2.gz KXALDWAFCXEPMQ-DGCLKSJQSA-N 1 0 252.289 2.361 20 5 CEBDRO COc1cccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168959189 811313918 /nfs/dbraw/zinc/31/39/18/811313918.db2.gz UNCNHGUTPQPJIG-KBPBESRZSA-N 1 0 278.352 2.273 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC001168959447 811314440 /nfs/dbraw/zinc/31/44/40/811314440.db2.gz WITPZNIVSKNNNK-JSGCOSHPSA-N 1 0 266.316 2.403 20 5 CEBDRO [NH3+]Cc1cnc2c(ccn2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966802 811318512 /nfs/dbraw/zinc/31/85/12/811318512.db2.gz LGFNVDSHTVMPBT-MFKMUULPSA-N 1 0 274.324 2.113 20 5 CEBDRO CCCCN(CC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967350 811318890 /nfs/dbraw/zinc/31/88/90/811318890.db2.gz OYPVJUFISWDSPN-ZIAGYGMSSA-N 1 0 271.405 2.143 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001168969257 811319664 /nfs/dbraw/zinc/31/96/64/811319664.db2.gz CONKUOFLAJRVBO-LOWVWBTDSA-N 1 0 264.325 2.488 20 5 CEBDRO CC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969520 811320476 /nfs/dbraw/zinc/32/04/76/811320476.db2.gz FEAVULIGNJXEAO-CFVMTHIKSA-N 1 0 276.336 2.352 20 5 CEBDRO CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168968346 811320882 /nfs/dbraw/zinc/32/08/82/811320882.db2.gz XWVXYFCEQZNXII-FVQBIDKESA-N 1 0 291.395 2.324 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975656 811323886 /nfs/dbraw/zinc/32/38/86/811323886.db2.gz WQKTWDHBBZCCQS-ONGXEEELSA-N 1 0 298.289 2.183 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001168975512 811324097 /nfs/dbraw/zinc/32/40/97/811324097.db2.gz VZTWXQQNTRELPS-MWLCHTKSSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1ccc(F)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996925 811324790 /nfs/dbraw/zinc/32/47/90/811324790.db2.gz WSQAADBMXOGLFM-PWSUYJOCSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168995234 811325689 /nfs/dbraw/zinc/32/56/89/811325689.db2.gz SAAIIHOSVXPGLV-UONOGXRCSA-N 1 0 281.400 2.025 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cn3)CC2)C1 ZINC001168998595 811326206 /nfs/dbraw/zinc/32/62/06/811326206.db2.gz OXAHYKDTCUSPBS-AAEUAGOBSA-N 1 0 293.342 2.287 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC001169002675 811329360 /nfs/dbraw/zinc/32/93/60/811329360.db2.gz LUUKMDPOPOCUQS-NEPJUHHUSA-N 1 0 258.387 2.165 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC001169002678 811329405 /nfs/dbraw/zinc/32/94/05/811329405.db2.gz LUUKMDPOPOCUQS-VXGBXAGGSA-N 1 0 258.387 2.165 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001169005258 811329568 /nfs/dbraw/zinc/32/95/68/811329568.db2.gz ABUFBAQIRNHMQO-ZBFHGGJFSA-N 1 0 295.427 2.382 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3ocnc3c2)C1 ZINC001168988904 811338194 /nfs/dbraw/zinc/33/81/94/811338194.db2.gz UXUCJGDJKGPJBJ-RYUDHWBXSA-N 1 0 275.308 2.363 20 5 CEBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1Cl ZINC001168990496 811339482 /nfs/dbraw/zinc/33/94/82/811339482.db2.gz ZQCJILKLLALCBY-IUCAKERBSA-N 1 0 282.731 2.095 20 5 CEBDRO C[N@H+](CC1CC(F)(F)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034164 811345817 /nfs/dbraw/zinc/34/58/17/811345817.db2.gz FPWGSJYJMGMWGF-KOLCDFICSA-N 1 0 262.300 2.409 20 5 CEBDRO Cc1nc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)no1 ZINC001169035353 811346848 /nfs/dbraw/zinc/34/68/48/811346848.db2.gz KOECNCKJHPOYRT-WCQYABFASA-N 1 0 294.355 2.003 20 5 CEBDRO Cc1nc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)no1 ZINC001169035354 811346892 /nfs/dbraw/zinc/34/68/92/811346892.db2.gz KOECNCKJHPOYRT-YPMHNXCESA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NCCc1cncs1)C[NH2+]C2 ZINC001169866667 811697580 /nfs/dbraw/zinc/69/75/80/811697580.db2.gz HDCDCDAYSJKLDJ-UHFFFAOYSA-N 1 0 290.348 2.309 20 5 CEBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1COCC[NH2+]1 ZINC001170041673 811989752 /nfs/dbraw/zinc/98/97/52/811989752.db2.gz KEAYDPYSSLAGSK-CQSZACIVSA-N 1 0 294.358 2.183 20 5 CEBDRO c1cnc2c(c1)cc(NC[C@@H]1COCC[NH2+]1)c1cccnc12 ZINC001170045202 811998679 /nfs/dbraw/zinc/99/86/79/811998679.db2.gz RTBDPXHBCLJAQP-CYBMUJFWSA-N 1 0 294.358 2.183 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC001170310430 812383821 /nfs/dbraw/zinc/38/38/21/812383821.db2.gz VUIOYUBUFZPQFR-YVLXSGLVSA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cocn2)c([N+](=O)[O-])c1 ZINC001170309951 812391373 /nfs/dbraw/zinc/39/13/73/812391373.db2.gz UJNNPRMMMBLZRC-SNVBAGLBSA-N 1 0 291.307 2.312 20 5 CEBDRO CC(C)(C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123611945 815537302 /nfs/dbraw/zinc/53/73/02/815537302.db2.gz QGCIWDIKZRSODI-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CC(=O)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907919 815540532 /nfs/dbraw/zinc/54/05/32/815540532.db2.gz JQVSBUKVNJGCAT-CQSZACIVSA-N 1 0 276.336 2.363 20 5 CEBDRO [NH3+]Cc1cncn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896666 815543565 /nfs/dbraw/zinc/54/35/65/815543565.db2.gz QTGXTHGRZOOWFS-CYBMUJFWSA-N 1 0 286.335 2.370 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001170861371 813553289 /nfs/dbraw/zinc/55/32/89/813553289.db2.gz AMOWPFOUJUFHCL-BTDICHCPSA-N 1 0 285.731 2.057 20 5 CEBDRO Cc1c(C)c(-n2cc3ccc(C[NH3+])cc3n2)ncc1[N+](=O)[O-] ZINC001160140351 813728603 /nfs/dbraw/zinc/72/86/03/813728603.db2.gz LMSYHPZSHZUJMC-UHFFFAOYSA-N 1 0 297.318 2.404 20 5 CEBDRO CC(C)([NH3+])CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001171193265 814087406 /nfs/dbraw/zinc/08/74/06/814087406.db2.gz VVLZKDMSVNZIND-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H]2CCCC[NH2+]C2)c1 ZINC000697064100 814644725 /nfs/dbraw/zinc/64/47/25/814644725.db2.gz MINAZLIMZWPROC-NSHDSACASA-N 1 0 250.298 2.363 20 5 CEBDRO CC1(C)CC[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000712505898 814753357 /nfs/dbraw/zinc/75/33/57/814753357.db2.gz JUXLUABGWHINHZ-UHFFFAOYSA-N 1 0 281.331 2.308 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712567493 814767376 /nfs/dbraw/zinc/76/73/76/814767376.db2.gz YDECJRIMFDTHMM-DGCLKSJQSA-N 1 0 263.341 2.258 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000714464037 814907220 /nfs/dbraw/zinc/90/72/20/814907220.db2.gz GYKDMELNPGCWRB-TXEJJXNPSA-N 1 0 250.298 2.109 20 5 CEBDRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000714481860 814907892 /nfs/dbraw/zinc/90/78/92/814907892.db2.gz ASQOUMGCLBDFPR-BJHJDKERSA-N 1 0 264.325 2.418 20 5 CEBDRO COCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217215 815623209 /nfs/dbraw/zinc/62/32/09/815623209.db2.gz QPSXJNQXDCWOAO-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnn1 ZINC001173215629 815623281 /nfs/dbraw/zinc/62/32/81/815623281.db2.gz XMINDVFSLNKXPW-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO CCOC(=O)[C@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222779 815627952 /nfs/dbraw/zinc/62/79/52/815627952.db2.gz ZCVITRRJUWZFHR-VXGBXAGGSA-N 1 0 294.351 2.315 20 5 CEBDRO CC[N@H+](CCC(=O)OC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230253 815632510 /nfs/dbraw/zinc/63/25/10/815632510.db2.gz DKAZDSDQFBASFZ-GFCCVEGCSA-N 1 0 294.351 2.411 20 5 CEBDRO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173235273 815634100 /nfs/dbraw/zinc/63/41/00/815634100.db2.gz RZSAEFRSOSDCKD-MJVIPROJSA-N 1 0 293.367 2.015 20 5 CEBDRO COc1ccc(Nc2cc[nH+]c(CO)c2)cc1[N+](=O)[O-] ZINC001176361112 816401173 /nfs/dbraw/zinc/40/11/73/816401173.db2.gz OBPHVWMQCTYMFI-UHFFFAOYSA-N 1 0 275.264 2.234 20 5 CEBDRO CC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177697230 816607949 /nfs/dbraw/zinc/60/79/49/816607949.db2.gz XRBAGNZFPAHZBP-UHFFFAOYSA-N 1 0 299.396 2.442 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000124352945 187133711 /nfs/dbraw/zinc/13/37/11/187133711.db2.gz JQDFGBLPGCJBMB-JTQLQIEISA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292566 346813606 /nfs/dbraw/zinc/81/36/06/346813606.db2.gz YMWICZQIUKRQRM-SDDRHHMPSA-N 1 0 264.325 2.325 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269196373 190475821 /nfs/dbraw/zinc/47/58/21/190475821.db2.gz QXIXGYOHWNPOCC-UHFFFAOYSA-N 1 0 299.758 2.305 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298731 346815550 /nfs/dbraw/zinc/81/55/50/346815550.db2.gz KDLSQEDKVKPFJO-KCJUWKMLSA-N 1 0 274.267 2.262 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000121301855 365548915 /nfs/dbraw/zinc/54/89/15/365548915.db2.gz PWEGMBBSFCJUNJ-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000035054371 361807233 /nfs/dbraw/zinc/80/72/33/361807233.db2.gz LCOTUJUGYQQZJD-UHFFFAOYSA-N 1 0 275.352 2.311 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160291 282125174 /nfs/dbraw/zinc/12/51/74/282125174.db2.gz LHUIJYNNYKUFBQ-DGCLKSJQSA-N 1 0 298.408 2.229 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159732 282125212 /nfs/dbraw/zinc/12/52/12/282125212.db2.gz ILLKAASTALMNQB-AAEUAGOBSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329028 346822146 /nfs/dbraw/zinc/82/21/46/346822146.db2.gz DIKCFQMLNDKCMQ-RTXFEEFZSA-N 1 0 261.325 2.092 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794622 361858140 /nfs/dbraw/zinc/85/81/40/361858140.db2.gz GYCHDOQNXMVWCJ-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125432786 187184637 /nfs/dbraw/zinc/18/46/37/187184637.db2.gz PEUXAJNPDXHRTA-WFASDCNBSA-N 1 0 294.351 2.035 20 5 CEBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](C3CC3)CC2)cs1 ZINC000037563105 361903892 /nfs/dbraw/zinc/90/38/92/361903892.db2.gz CJRCJPKXUOQVHY-UHFFFAOYSA-N 1 0 281.381 2.373 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000725270125 539215004 /nfs/dbraw/zinc/21/50/04/539215004.db2.gz XTRIRKDTVKOOAI-ZIAGYGMSSA-N 1 0 262.309 2.109 20 5 CEBDRO Cc1nnsc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449333113 282191113 /nfs/dbraw/zinc/19/11/13/282191113.db2.gz ACBDJNVBCISRNG-SECBINFHSA-N 1 0 292.364 2.476 20 5 CEBDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045685342 362165631 /nfs/dbraw/zinc/16/56/31/362165631.db2.gz VKBMZIVETSYPQI-JTQLQIEISA-N 1 0 266.297 2.199 20 5 CEBDRO CC/C=C/C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449452704 282243515 /nfs/dbraw/zinc/24/35/15/282243515.db2.gz GPDXTMXUNFLDIE-SNAWJCMRSA-N 1 0 266.297 2.365 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449462194 282246456 /nfs/dbraw/zinc/24/64/56/282246456.db2.gz UUWSULDRTHGSSK-DZGCQCFKSA-N 1 0 294.351 2.044 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000048024077 362239428 /nfs/dbraw/zinc/23/94/28/362239428.db2.gz HEDGUMSQTSJFGU-UHFFFAOYSA-N 1 0 250.298 2.206 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000044533035 343474278 /nfs/dbraw/zinc/47/42/78/343474278.db2.gz DKERHLNCCUEZCP-JTQLQIEISA-N 1 0 269.370 2.088 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046955688 343507970 /nfs/dbraw/zinc/50/79/70/343507970.db2.gz GVXNOCUTEJWLMY-LLVKDONJSA-N 1 0 292.339 2.058 20 5 CEBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000047698390 343521216 /nfs/dbraw/zinc/52/12/16/343521216.db2.gz XJMUMGWZMMLKKQ-LBPRGKRZSA-N 1 0 264.325 2.453 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCC(F)(F)F)cc1 ZINC000049311071 343536210 /nfs/dbraw/zinc/53/62/10/343536210.db2.gz BRTFOOHWSJBTJE-UHFFFAOYSA-N 1 0 292.257 2.306 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000053297655 343573757 /nfs/dbraw/zinc/57/37/57/343573757.db2.gz WWUPOJPTULBFSJ-VXGBXAGGSA-N 1 0 262.313 2.029 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415769241 529730609 /nfs/dbraw/zinc/73/06/09/529730609.db2.gz WKMQIPPGXMZHMA-CYBMUJFWSA-N 1 0 292.339 2.016 20 5 CEBDRO CC(C)N(CC[NH+](C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295063028 199325665 /nfs/dbraw/zinc/32/56/65/199325665.db2.gz POBFIDOLZWANOA-UHFFFAOYSA-N 1 0 291.355 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000059394079 343652975 /nfs/dbraw/zinc/65/29/75/343652975.db2.gz DJBGJOLGKNCUPH-UHFFFAOYSA-N 1 0 261.325 2.127 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000351495038 219105688 /nfs/dbraw/zinc/10/56/88/219105688.db2.gz PNGKDQCMDGWOFU-KGLIPLIRSA-N 1 0 282.315 2.375 20 5 CEBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000066067748 343707178 /nfs/dbraw/zinc/70/71/78/343707178.db2.gz SEOWOJGBDIXSEG-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066137728 343708082 /nfs/dbraw/zinc/70/80/82/343708082.db2.gz FHIYRRIIKCSKIQ-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067571511 343739161 /nfs/dbraw/zinc/73/91/61/343739161.db2.gz IRVGYPMSPKXTFY-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000069249337 343784213 /nfs/dbraw/zinc/78/42/13/343784213.db2.gz YNXJLHNLETYFLO-ZDUSSCGKSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1nn(C)c(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000128147209 187354939 /nfs/dbraw/zinc/35/49/39/187354939.db2.gz BEEGBOUQCJUMSV-UHFFFAOYSA-N 1 0 295.387 2.169 20 5 CEBDRO O=[N+]([O-])c1ccccc1NCCCC[NH+]1CCOCC1 ZINC000076801496 343899219 /nfs/dbraw/zinc/89/92/19/343899219.db2.gz MQOUWCAZCXNEFL-UHFFFAOYSA-N 1 0 279.340 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638485 282314514 /nfs/dbraw/zinc/31/45/14/282314514.db2.gz KVUIJUPCKHRGEG-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000078575452 343957622 /nfs/dbraw/zinc/95/76/22/343957622.db2.gz YRBPGFPFJAWIBD-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[NH+](CC)[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078671050 343960910 /nfs/dbraw/zinc/96/09/10/343960910.db2.gz WTTUCAGGELKPNP-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(CC)nn2C)C1 ZINC000091457759 344163885 /nfs/dbraw/zinc/16/38/85/344163885.db2.gz QLBWIMDWFLXOAB-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000091482008 344164947 /nfs/dbraw/zinc/16/49/47/344164947.db2.gz VGMVCLUPHDMRSD-GFCCVEGCSA-N 1 0 267.304 2.486 20 5 CEBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000127196980 187288818 /nfs/dbraw/zinc/28/88/18/187288818.db2.gz AVQZCSAVGFGRMV-VXGBXAGGSA-N 1 0 266.345 2.159 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128448845 344336774 /nfs/dbraw/zinc/33/67/74/344336774.db2.gz VEIDERGUZLOLQW-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000122538066 344307048 /nfs/dbraw/zinc/30/70/48/344307048.db2.gz GENUIXDYRNEOQB-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000122624014 344307107 /nfs/dbraw/zinc/30/71/07/344307107.db2.gz PPAZUQMLVYZEKJ-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO CCc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000151833194 344422739 /nfs/dbraw/zinc/42/27/39/344422739.db2.gz AQIYUWVHXFIGPN-UHFFFAOYSA-N 1 0 293.367 2.275 20 5 CEBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475331 347049917 /nfs/dbraw/zinc/04/99/17/347049917.db2.gz UCRCZQXGESTKQS-GFCCVEGCSA-N 1 0 266.345 2.483 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227496987 344553389 /nfs/dbraw/zinc/55/33/89/344553389.db2.gz MXNVLMBECOFMTM-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1cccnc1[N+](=O)[O-] ZINC000227920276 344557513 /nfs/dbraw/zinc/55/75/13/344557513.db2.gz RONPNAMPQMZRMA-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000228560638 344560763 /nfs/dbraw/zinc/56/07/63/344560763.db2.gz PSZKLEDSTYKLSV-SNVBAGLBSA-N 1 0 278.243 2.208 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000602483766 347055235 /nfs/dbraw/zinc/05/52/35/347055235.db2.gz LCZFKEOLPPTPQR-QWRGUYRKSA-N 1 0 266.345 2.196 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCN1C ZINC000236851264 344597651 /nfs/dbraw/zinc/59/76/51/344597651.db2.gz CUZDHPAENTZYEL-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000052103359 362466277 /nfs/dbraw/zinc/46/62/77/362466277.db2.gz BLISICKUWMENRR-LBPRGKRZSA-N 1 0 280.324 2.084 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000053202281 362486243 /nfs/dbraw/zinc/48/62/43/362486243.db2.gz HWZYKLNXAOZUPZ-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297626 362490434 /nfs/dbraw/zinc/49/04/34/362490434.db2.gz WZTLTUVUPNBFJV-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC[NH+]1CCCC1 ZINC000310754690 344731375 /nfs/dbraw/zinc/73/13/75/344731375.db2.gz MYFCGLDOARXXIX-UHFFFAOYSA-N 1 0 270.720 2.151 20 5 CEBDRO CC[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)OC ZINC000311023112 344732865 /nfs/dbraw/zinc/73/28/65/344732865.db2.gz ZORBQMUHYGMGLY-CYBMUJFWSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000313864019 344743866 /nfs/dbraw/zinc/74/38/66/344743866.db2.gz AUPGFUGEDDXNOI-LLVKDONJSA-N 1 0 293.371 2.106 20 5 CEBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000327965695 344754672 /nfs/dbraw/zinc/75/46/72/344754672.db2.gz DTLWPDNXGHUJLU-DOMZBBRYSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401163214 344866937 /nfs/dbraw/zinc/86/69/37/344866937.db2.gz MTNDUCPONLBLLM-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401176440 344867047 /nfs/dbraw/zinc/86/70/47/344867047.db2.gz XPVLCAJDTZCJQM-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO C[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602575342 347084914 /nfs/dbraw/zinc/08/49/14/347084914.db2.gz GDRKPDWWUCIDBL-ZETCQYMHSA-N 1 0 278.230 2.084 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061802 178781749 /nfs/dbraw/zinc/78/17/49/178781749.db2.gz VTZFWMAUNXPMLM-GXTWGEPZSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000588212115 345043201 /nfs/dbraw/zinc/04/32/01/345043201.db2.gz AXRPBPBSUGKICD-CYBMUJFWSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CF ZINC000589207912 345072241 /nfs/dbraw/zinc/07/22/41/345072241.db2.gz ZIRCTCYIEBKFLE-ZJUUUORDSA-N 1 0 283.303 2.260 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589114301 345066444 /nfs/dbraw/zinc/06/64/44/345066444.db2.gz WBSKPAJPFCVNAY-JTQLQIEISA-N 1 0 298.774 2.351 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590053009 345111681 /nfs/dbraw/zinc/11/16/81/345111681.db2.gz SBASYWMVHFPIMG-DZGCQCFKSA-N 1 0 275.352 2.039 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000590723754 345168405 /nfs/dbraw/zinc/16/84/05/345168405.db2.gz DBKXUYWWGBTBQJ-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1cccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000591436522 345253731 /nfs/dbraw/zinc/25/37/31/345253731.db2.gz BDUIALWVGAIXRH-VXGBXAGGSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592198218 345336458 /nfs/dbraw/zinc/33/64/58/345336458.db2.gz KRBYNWDSRMTWFH-CQSZACIVSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000592368050 345347052 /nfs/dbraw/zinc/34/70/52/345347052.db2.gz BIFHHGPPTJYHPX-CMPLNLGQSA-N 1 0 289.335 2.386 20 5 CEBDRO O=[N+]([O-])c1cn(CCC2CC[NH2+]CC2)nc1C1CC1 ZINC000592164813 345333443 /nfs/dbraw/zinc/33/34/43/345333443.db2.gz BRRVJJSYVWETHO-UHFFFAOYSA-N 1 0 264.329 2.058 20 5 CEBDRO CCOc1cc(C[N@H+](C)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593107723 345441273 /nfs/dbraw/zinc/44/12/73/345441273.db2.gz HJWDPSODQPOIRM-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295113171 199351758 /nfs/dbraw/zinc/35/17/58/199351758.db2.gz XNPXHEQYEYTQNY-ZANVPECISA-N 1 0 281.356 2.377 20 5 CEBDRO Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000593763365 345534276 /nfs/dbraw/zinc/53/42/76/345534276.db2.gz KNYQOYNOHRQNNY-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593901174 345550169 /nfs/dbraw/zinc/55/01/69/345550169.db2.gz ADJAHPXQTZHZJJ-VXGBXAGGSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[C@H]([NH2+]CC[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593971087 345558269 /nfs/dbraw/zinc/55/82/69/345558269.db2.gz UCNPMYYKBCGPOE-FZMZJTMJSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495749 345638155 /nfs/dbraw/zinc/63/81/55/345638155.db2.gz VERBIAFHJQLVSQ-OCCSQVGLSA-N 1 0 264.325 2.333 20 5 CEBDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594511002 345640954 /nfs/dbraw/zinc/64/09/54/345640954.db2.gz QFVFHRCYHXAYQC-HNNXBMFYSA-N 1 0 296.367 2.205 20 5 CEBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000058003210 362605177 /nfs/dbraw/zinc/60/51/77/362605177.db2.gz PBCGNGCLWXXILU-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccns2)c1 ZINC000602579784 347086991 /nfs/dbraw/zinc/08/69/91/347086991.db2.gz HASFAAWCWFKEFW-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000595074064 345740346 /nfs/dbraw/zinc/74/03/46/345740346.db2.gz VGWGNCIRELKTCM-ZWNMCFTASA-N 1 0 280.324 2.193 20 5 CEBDRO CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000595105081 345742875 /nfs/dbraw/zinc/74/28/75/345742875.db2.gz WZASCFQEWNPNOP-GLXFQSAKSA-N 1 0 276.336 2.430 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921475 345702584 /nfs/dbraw/zinc/70/25/84/345702584.db2.gz BWPWKYDJINYIOA-AAEUAGOBSA-N 1 0 280.324 2.131 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000594981872 345721346 /nfs/dbraw/zinc/72/13/46/345721346.db2.gz BKEFVLCBPQLXSB-CYBMUJFWSA-N 1 0 264.325 2.093 20 5 CEBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594997060 345724237 /nfs/dbraw/zinc/72/42/37/345724237.db2.gz XPKKNONUVJGBAN-LBPRGKRZSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)COC1 ZINC000595015339 345727549 /nfs/dbraw/zinc/72/75/49/345727549.db2.gz CDSCPXVDVOEVFH-JTQLQIEISA-N 1 0 280.324 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000595034536 345732033 /nfs/dbraw/zinc/73/20/33/345732033.db2.gz XJPBZOBCWOWBMN-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056639 345736264 /nfs/dbraw/zinc/73/62/64/345736264.db2.gz OTIOMJFOALQJFG-YGRLFVJLSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C/C=C\CO ZINC000595065411 345738205 /nfs/dbraw/zinc/73/82/05/345738205.db2.gz AYIPZXKXGKEXDN-REJHYOMKSA-N 1 0 290.363 2.444 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595388717 345772141 /nfs/dbraw/zinc/77/21/41/345772141.db2.gz LLTILVXMOQZHTN-GFCCVEGCSA-N 1 0 295.339 2.140 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595390890 345772898 /nfs/dbraw/zinc/77/28/98/345772898.db2.gz ZPUXABXGNDAFKB-GHMZBOCLSA-N 1 0 282.315 2.327 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595460981 345789284 /nfs/dbraw/zinc/78/92/84/345789284.db2.gz JEPFKMCGNVRJOX-CQSZACIVSA-N 1 0 298.314 2.019 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CCO)CCCC2)cc1 ZINC000595509731 345799645 /nfs/dbraw/zinc/79/96/45/345799645.db2.gz UNVGFJMODRAEPI-UHFFFAOYSA-N 1 0 294.351 2.258 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595529807 345804195 /nfs/dbraw/zinc/80/41/95/345804195.db2.gz QZHSUNSDKFFTAH-YPMHNXCESA-N 1 0 282.315 2.327 20 5 CEBDRO CCOC[C@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595537277 345805454 /nfs/dbraw/zinc/80/54/54/345805454.db2.gz ADMYYDLEQQLOMD-LLVKDONJSA-N 1 0 283.328 2.282 20 5 CEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000127478981 187309502 /nfs/dbraw/zinc/30/95/02/187309502.db2.gz QMHHRXCKCTWJJC-UHFFFAOYSA-N 1 0 295.339 2.230 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccco3)CC2)c1 ZINC000595615970 345828297 /nfs/dbraw/zinc/82/82/97/345828297.db2.gz OUCFGVZEFNMMII-UHFFFAOYSA-N 1 0 290.323 2.264 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000595766522 345870866 /nfs/dbraw/zinc/87/08/66/345870866.db2.gz OODKKTHBOIFPFD-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595861405 345900458 /nfs/dbraw/zinc/90/04/58/345900458.db2.gz VLMAQBSCARUCLN-QMTHXVAHSA-N 1 0 282.315 2.184 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000596016335 345923638 /nfs/dbraw/zinc/92/36/38/345923638.db2.gz QCLGAACMFZZXSI-UWVGGRQHSA-N 1 0 265.313 2.156 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596164135 345957370 /nfs/dbraw/zinc/95/73/70/345957370.db2.gz WCHALZVYSZGCNV-LLVKDONJSA-N 1 0 294.355 2.085 20 5 CEBDRO Cc1cc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596187258 345963994 /nfs/dbraw/zinc/96/39/94/345963994.db2.gz ZZPGAVOUKPRYMH-UHFFFAOYSA-N 1 0 257.359 2.353 20 5 CEBDRO C[NH2+]C[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000596106376 345941488 /nfs/dbraw/zinc/94/14/88/345941488.db2.gz PTHZWIJACYQCKH-LLVKDONJSA-N 1 0 265.357 2.416 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596121079 345944571 /nfs/dbraw/zinc/94/45/71/345944571.db2.gz JXRAGGCBYIEQGG-SNVBAGLBSA-N 1 0 285.369 2.097 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596124739 345945201 /nfs/dbraw/zinc/94/52/01/345945201.db2.gz ZQWBYBMEHJFWOQ-AWEZNQCLSA-N 1 0 292.339 2.085 20 5 CEBDRO C[N@@H+]1CCN(c2cccnc2[N+](=O)[O-])CC12CCCCC2 ZINC000596250644 345980680 /nfs/dbraw/zinc/98/06/80/345980680.db2.gz JXCAUMYWTHURPS-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H](CCNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425841 346020039 /nfs/dbraw/zinc/02/00/39/346020039.db2.gz WOUOEXJSTPAEAE-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596569674 346057481 /nfs/dbraw/zinc/05/74/81/346057481.db2.gz BLDFRVNOJRJOEL-NSHDSACASA-N 1 0 296.396 2.007 20 5 CEBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000311670328 201896382 /nfs/dbraw/zinc/89/63/82/201896382.db2.gz HRWSAUJBYBWDEW-UHFFFAOYSA-N 1 0 268.288 2.393 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597052418 346121069 /nfs/dbraw/zinc/12/10/69/346121069.db2.gz BTWCEEVRFCUNPO-DOMZBBRYSA-N 1 0 292.335 2.131 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597219169 346151937 /nfs/dbraw/zinc/15/19/37/346151937.db2.gz ZVWXAZJHFXDODF-KMUUFKDPSA-N 1 0 290.319 2.149 20 5 CEBDRO C[C@@H](O)C1([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000597235056 346157652 /nfs/dbraw/zinc/15/76/52/346157652.db2.gz SNQXLIHHLUTJTO-NWDGAFQWSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597992066 346265007 /nfs/dbraw/zinc/26/50/07/346265007.db2.gz IZTURJJLISWSNI-VXGBXAGGSA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000085357284 179030967 /nfs/dbraw/zinc/03/09/67/179030967.db2.gz BQXDKRGKDCUFNZ-NEPJUHHUSA-N 1 0 277.324 2.359 20 5 CEBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000598682543 346400181 /nfs/dbraw/zinc/40/01/81/346400181.db2.gz OLLFDRGKXFKESW-RISCZKNCSA-N 1 0 279.315 2.047 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000598651808 346394047 /nfs/dbraw/zinc/39/40/47/346394047.db2.gz WBACVSJAOQJARG-CMPLNLGQSA-N 1 0 282.315 2.184 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066526 346455056 /nfs/dbraw/zinc/45/50/56/346455056.db2.gz RRYZWNXMKWQNSM-KKUMJFAQSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599067300 346455253 /nfs/dbraw/zinc/45/52/53/346455253.db2.gz YZRODXFVMQWABU-TUKIKUTGSA-N 1 0 294.351 2.094 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000599081762 346457103 /nfs/dbraw/zinc/45/71/03/346457103.db2.gz MKPGVPZKUDZUFZ-BYCMXARLSA-N 1 0 290.363 2.276 20 5 CEBDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599091000 346458499 /nfs/dbraw/zinc/45/84/99/346458499.db2.gz VODKCBPWIJYLJI-SNVBAGLBSA-N 1 0 287.310 2.442 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599094171 346458977 /nfs/dbraw/zinc/45/89/77/346458977.db2.gz ZCNRQSOOGGLHQT-FDYHWXHSSA-N 1 0 294.355 2.042 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1 ZINC000599985871 346589541 /nfs/dbraw/zinc/58/95/41/346589541.db2.gz MQVXJMCLUNMGNU-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600188870 346618709 /nfs/dbraw/zinc/61/87/09/346618709.db2.gz FENIJUHIUBKOLW-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600710478 346675976 /nfs/dbraw/zinc/67/59/76/346675976.db2.gz RPNIUBIEDNJVNI-DDTOSNHZSA-N 1 0 263.341 2.386 20 5 CEBDRO CCN(CC[NH3+])Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600773454 346687925 /nfs/dbraw/zinc/68/79/25/346687925.db2.gz IEYXPVPTAXOSER-UHFFFAOYSA-N 1 0 265.357 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc3c2C[NH2+]CC3)c1 ZINC000600784273 346690085 /nfs/dbraw/zinc/69/00/85/346690085.db2.gz ZPTFLQZAKPTLLF-UHFFFAOYSA-N 1 0 284.315 2.400 20 5 CEBDRO Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1[N+](=O)[O-] ZINC000600788933 346690816 /nfs/dbraw/zinc/69/08/16/346690816.db2.gz CALKDILOTBRISI-UHFFFAOYSA-N 1 0 298.346 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000600794989 346692072 /nfs/dbraw/zinc/69/20/72/346692072.db2.gz VMPKCIHKDKORKC-UHFFFAOYSA-N 1 0 298.342 2.442 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601186828 346780400 /nfs/dbraw/zinc/78/04/00/346780400.db2.gz BTXALJRDVWEMHE-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601125561 346761688 /nfs/dbraw/zinc/76/16/88/346761688.db2.gz RXXWMMRJTAPJRZ-NSHDSACASA-N 1 0 282.319 2.049 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601140354 346766984 /nfs/dbraw/zinc/76/69/84/346766984.db2.gz UMQNVXONLRIINY-NSHDSACASA-N 1 0 270.304 2.375 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601140555 346767040 /nfs/dbraw/zinc/76/70/40/346767040.db2.gz YKFMVBCZPKAEQP-LBPRGKRZSA-N 1 0 252.314 2.236 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601140171 346767058 /nfs/dbraw/zinc/76/70/58/346767058.db2.gz SEZXMVHNERYITL-LBPRGKRZSA-N 1 0 252.314 2.236 20 5 CEBDRO C[N@H+](CCCCNc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC000601172674 346777195 /nfs/dbraw/zinc/77/71/95/346777195.db2.gz FSOTTXMIEHVJME-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601194588 346783623 /nfs/dbraw/zinc/78/36/23/346783623.db2.gz KYESBVIXWWSLDR-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1cc(N[C@H]2C[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000601212290 346790652 /nfs/dbraw/zinc/79/06/52/346790652.db2.gz XXGOLRYQVVRTFO-PHIMTYICSA-N 1 0 287.319 2.056 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000602697093 347153824 /nfs/dbraw/zinc/15/38/24/347153824.db2.gz UWUNGDJTSDNZBX-LBPRGKRZSA-N 1 0 299.321 2.066 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602706682 347161128 /nfs/dbraw/zinc/16/11/28/347161128.db2.gz HGGNLZYEZGRGDL-HOMQSWHASA-N 1 0 291.307 2.393 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000602796257 347201902 /nfs/dbraw/zinc/20/19/02/347201902.db2.gz DYKHPKBOIVOUNQ-LLVKDONJSA-N 1 0 289.339 2.188 20 5 CEBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798183 347203335 /nfs/dbraw/zinc/20/33/35/347203335.db2.gz AYJTVPUJIVWLHQ-NXEZZACHSA-N 1 0 254.334 2.124 20 5 CEBDRO CC[C@@H](CSC)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602803000 347205824 /nfs/dbraw/zinc/20/58/24/347205824.db2.gz UKRSXIGQRIFCJS-NSHDSACASA-N 1 0 286.401 2.173 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000602803784 347205927 /nfs/dbraw/zinc/20/59/27/347205927.db2.gz DMMQGKDIEXVUBQ-SNVBAGLBSA-N 1 0 290.323 2.156 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1 ZINC000602807557 347207619 /nfs/dbraw/zinc/20/76/19/347207619.db2.gz VYPVRYQMFBYETC-LLVKDONJSA-N 1 0 274.324 2.451 20 5 CEBDRO COCC1(C2CC2)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602733071 347176728 /nfs/dbraw/zinc/17/67/28/347176728.db2.gz SKGVAUBLSNSMOH-UHFFFAOYSA-N 1 0 290.363 2.496 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000602750840 347184951 /nfs/dbraw/zinc/18/49/51/347184951.db2.gz FCQSPYKOIMOYHD-LBPRGKRZSA-N 1 0 281.381 2.182 20 5 CEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602764830 347188723 /nfs/dbraw/zinc/18/87/23/347188723.db2.gz ZHWJIDVDTKQOND-UHFFFAOYSA-N 1 0 254.334 2.078 20 5 CEBDRO C[C@H]1OCC[C@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602826042 347214904 /nfs/dbraw/zinc/21/49/04/347214904.db2.gz VSFVXTDGJLXKDV-OCCSQVGLSA-N 1 0 278.352 2.494 20 5 CEBDRO CO[C@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896404 347240524 /nfs/dbraw/zinc/24/05/24/347240524.db2.gz GPWJEHYXWXQVKZ-SMDDNHRTSA-N 1 0 280.324 2.269 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000602918083 347246290 /nfs/dbraw/zinc/24/62/90/347246290.db2.gz QTDYFIZSMIMUBW-JSGCOSHPSA-N 1 0 278.356 2.364 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603090525 347285445 /nfs/dbraw/zinc/28/54/45/347285445.db2.gz VKFVNSHTUYTKFP-MISXGVKJSA-N 1 0 262.309 2.031 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCF)CC1 ZINC000602949327 347254795 /nfs/dbraw/zinc/25/47/95/347254795.db2.gz YGJAADQILIVQQS-UHFFFAOYSA-N 1 0 284.335 2.171 20 5 CEBDRO CCCCOCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965596 347258523 /nfs/dbraw/zinc/25/85/23/347258523.db2.gz JIBCMXCXKYDXOC-OAHLLOKOSA-N 1 0 296.367 2.209 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000602998013 347270581 /nfs/dbraw/zinc/27/05/81/347270581.db2.gz VTMFSBPFRGPMGP-UTUOFQBUSA-N 1 0 295.339 2.017 20 5 CEBDRO CC[C@@](C)([NH3+])c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186563 347303294 /nfs/dbraw/zinc/30/32/94/347303294.db2.gz SLOXJVWTBRNJRQ-IINYFYTJSA-N 1 0 289.339 2.380 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[NH+](C2CCCC2)CC1 ZINC000604560521 347423174 /nfs/dbraw/zinc/42/31/74/347423174.db2.gz LPMWMROOZSTBBY-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604561694 347423605 /nfs/dbraw/zinc/42/36/05/347423605.db2.gz QOIQFDWHENVHLT-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO COc1cc(CSCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000351840160 219222617 /nfs/dbraw/zinc/22/26/17/219222617.db2.gz MIALOBMVKXFFHL-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351847504 219223655 /nfs/dbraw/zinc/22/36/55/219223655.db2.gz AAVXXLWOXPTUAD-VXGBXAGGSA-N 1 0 293.367 2.163 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000608782021 347616194 /nfs/dbraw/zinc/61/61/94/347616194.db2.gz GYWIOCXJWKVQMA-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO CCNC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000339326924 215098037 /nfs/dbraw/zinc/09/80/37/215098037.db2.gz AMOPDYNFBBDUKN-CQSZACIVSA-N 1 0 293.367 2.154 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610605195 347695623 /nfs/dbraw/zinc/69/56/23/347695623.db2.gz PLSMGNBXJQYVCJ-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129929780 365907622 /nfs/dbraw/zinc/90/76/22/365907622.db2.gz FIEKMANKWOCDSC-GFCCVEGCSA-N 1 0 293.367 2.470 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccccc1=O)c1ccccc1[N+](=O)[O-] ZINC000610342438 347673656 /nfs/dbraw/zinc/67/36/56/347673656.db2.gz SSFXSAUWNZXSNQ-GFCCVEGCSA-N 1 0 287.319 2.107 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000611298929 347764934 /nfs/dbraw/zinc/76/49/34/347764934.db2.gz CAZDFYBRJCPPLG-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000611370648 347770804 /nfs/dbraw/zinc/77/08/04/347770804.db2.gz VSAVHVAAHONNKW-SECBINFHSA-N 1 0 255.343 2.408 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611091786 347738897 /nfs/dbraw/zinc/73/88/97/347738897.db2.gz NVOZMGJCQFFELQ-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CC1CC1 ZINC000611108291 347739430 /nfs/dbraw/zinc/73/94/30/347739430.db2.gz ZFVBPDZQVZNMJB-KQIUPUNMSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H](CCCCO)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520974 347790087 /nfs/dbraw/zinc/79/00/87/347790087.db2.gz XVNRFNBUVLVPOX-LBPRGKRZSA-N 1 0 266.341 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CC2)c(Cl)c1 ZINC000612187528 347854839 /nfs/dbraw/zinc/85/48/39/347854839.db2.gz SRFUSPJSTNKXAD-LLVKDONJSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000103958604 185868526 /nfs/dbraw/zinc/86/85/26/185868526.db2.gz WWFDUDOAXQSVOK-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO CC[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000128746409 187387890 /nfs/dbraw/zinc/38/78/90/187387890.db2.gz RPVIGEISWCWXLI-CYBMUJFWSA-N 1 0 263.297 2.066 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000066126052 362852167 /nfs/dbraw/zinc/85/21/67/362852167.db2.gz YPKPFFUZUSUGEM-SECBINFHSA-N 1 0 299.396 2.425 20 5 CEBDRO Cc1nn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770361 299152976 /nfs/dbraw/zinc/15/29/76/299152976.db2.gz UIHCVSVZTRPOEN-PHIMTYICSA-N 1 0 280.372 2.386 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000351957275 219264914 /nfs/dbraw/zinc/26/49/14/219264914.db2.gz FUKCTNKKXWVVMZ-UWVGGRQHSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000128913944 187399334 /nfs/dbraw/zinc/39/93/34/187399334.db2.gz WCJDNYWEPDZPAA-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273460100 192158753 /nfs/dbraw/zinc/15/87/53/192158753.db2.gz MTWWPBAOWGKJQZ-SECBINFHSA-N 1 0 298.318 2.196 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618309263 348924030 /nfs/dbraw/zinc/92/40/30/348924030.db2.gz XQHPDNPQNXWYAX-LBPRGKRZSA-N 1 0 293.323 2.233 20 5 CEBDRO COc1cc(NCC2=CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000273960697 192379290 /nfs/dbraw/zinc/37/92/90/192379290.db2.gz NUIUQIRBEXDDSQ-UHFFFAOYSA-N 1 0 295.314 2.416 20 5 CEBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000273485505 192169421 /nfs/dbraw/zinc/16/94/21/192169421.db2.gz VPUHGRHOHWMIOX-RISCZKNCSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000619573625 349201768 /nfs/dbraw/zinc/20/17/68/349201768.db2.gz FIRHGFJFZUVSBW-ZIAGYGMSSA-N 1 0 291.351 2.116 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000090359871 179976944 /nfs/dbraw/zinc/97/69/44/179976944.db2.gz MZNURCJUXNWSCX-LBPRGKRZSA-N 1 0 297.311 2.264 20 5 CEBDRO CC[NH+]1CCC(CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692233 180024261 /nfs/dbraw/zinc/02/42/61/180024261.db2.gz VTRYMQWWTPJUBC-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720985 180031701 /nfs/dbraw/zinc/03/17/01/180031701.db2.gz GIDRIXQCXJHTJO-DGCLKSJQSA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982704 233309173 /nfs/dbraw/zinc/30/91/73/233309173.db2.gz BOKSTGRSLAIVHC-WHOFXGATSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412087511 233333939 /nfs/dbraw/zinc/33/39/39/233333939.db2.gz OZIPSENTVWDVDX-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000091560246 180191183 /nfs/dbraw/zinc/19/11/83/180191183.db2.gz ZHZZJOYTVKCPPB-NSHDSACASA-N 1 0 295.387 2.033 20 5 CEBDRO CC[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104954399 186035355 /nfs/dbraw/zinc/03/53/55/186035355.db2.gz SPFXQUQFRGLNFN-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO CC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092027056 180308739 /nfs/dbraw/zinc/30/87/39/180308739.db2.gz CRASEDRMDWUHQI-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000092103941 180326034 /nfs/dbraw/zinc/32/60/34/180326034.db2.gz SVXCXISHHRXQAJ-UHFFFAOYSA-N 1 0 293.367 2.107 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092221084 180346034 /nfs/dbraw/zinc/34/60/34/180346034.db2.gz RCRRNXINDWKZLV-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(C2CC2)CC1 ZINC000352188856 219350428 /nfs/dbraw/zinc/35/04/28/219350428.db2.gz JUHDRXMOXFIFFZ-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000107039866 186157081 /nfs/dbraw/zinc/15/70/81/186157081.db2.gz GGAWOCJFQHIYGZ-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000110645900 186308893 /nfs/dbraw/zinc/30/88/93/186308893.db2.gz YVCKDCPWQXNEBQ-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000110646657 186309140 /nfs/dbraw/zinc/30/91/40/186309140.db2.gz OBPLLJDWTBAUPR-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000337014913 365985975 /nfs/dbraw/zinc/98/59/75/365985975.db2.gz KIXQAGJILWLHHH-LLVKDONJSA-N 1 0 298.412 2.396 20 5 CEBDRO COc1cc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000111048654 186348664 /nfs/dbraw/zinc/34/86/64/186348664.db2.gz YHTQUOHKSIRHAR-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000070076488 363028940 /nfs/dbraw/zinc/02/89/40/363028940.db2.gz MRLXEDMPQVCRAJ-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](C)OC ZINC000291367969 198001602 /nfs/dbraw/zinc/00/16/02/198001602.db2.gz ZPCRGLVDNCDSSV-LLVKDONJSA-N 1 0 282.340 2.460 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000070253383 363062369 /nfs/dbraw/zinc/06/23/69/363062369.db2.gz LCRWBOGAIDISJJ-NSHDSACASA-N 1 0 289.335 2.231 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121852323 187000397 /nfs/dbraw/zinc/00/03/97/187000397.db2.gz DPFXKFMNNLMPCX-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122394440 187030266 /nfs/dbraw/zinc/03/02/66/187030266.db2.gz ALVPSIFSKPXPOF-WCQYABFASA-N 1 0 293.367 2.176 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132742302 187645490 /nfs/dbraw/zinc/64/54/90/187645490.db2.gz WNQUQOFDXZZSBB-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO CCC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450880795 282816336 /nfs/dbraw/zinc/81/63/36/282816336.db2.gz LTGJIJRDBGNOPH-UHFFFAOYSA-N 1 0 294.355 2.188 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000292034567 198140539 /nfs/dbraw/zinc/14/05/39/198140539.db2.gz HHROELVBFBVZRD-OFFHKIPUSA-N 1 0 291.351 2.242 20 5 CEBDRO CC(C)([NH2+]CCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000292078760 198154626 /nfs/dbraw/zinc/15/46/26/198154626.db2.gz FKRLUBNXHNEWHU-UHFFFAOYSA-N 1 0 280.324 2.183 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000152192111 188001343 /nfs/dbraw/zinc/00/13/43/188001343.db2.gz MUZXSDZBNZSLGJ-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152701577 188037236 /nfs/dbraw/zinc/03/72/36/188037236.db2.gz SFJNRXOAEIPBBU-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386097 188138908 /nfs/dbraw/zinc/13/89/08/188138908.db2.gz UEIPZBDDLOQTRQ-GWCFXTLKSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000156616144 188272898 /nfs/dbraw/zinc/27/28/98/188272898.db2.gz JAOKZHMIIVUFLA-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000073779123 363247984 /nfs/dbraw/zinc/24/79/84/363247984.db2.gz NRQSOODVJGSPFE-SNVBAGLBSA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073780200 363249269 /nfs/dbraw/zinc/24/92/69/363249269.db2.gz SAYWWHBNDOMNFE-FZMZJTMJSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1nc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161503009 188531766 /nfs/dbraw/zinc/53/17/66/188531766.db2.gz KLFBMPYEXUUKFY-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000074136976 363298883 /nfs/dbraw/zinc/29/88/83/363298883.db2.gz YIQQVKXKUGEPFH-CQSZACIVSA-N 1 0 293.367 2.301 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451544151 283028070 /nfs/dbraw/zinc/02/80/70/283028070.db2.gz MJAYNHFWZPOTKO-IUODEOHRSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569929358 299227127 /nfs/dbraw/zinc/22/71/27/299227127.db2.gz PRBQDUMVMPGDPN-MNOVXSKESA-N 1 0 293.367 2.376 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273608989 192228566 /nfs/dbraw/zinc/22/85/66/192228566.db2.gz LIXFFVJDKAEGKT-GFCCVEGCSA-N 1 0 293.371 2.309 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000338355484 366314199 /nfs/dbraw/zinc/31/41/99/366314199.db2.gz LDSLWQASGWZLFW-UHFFFAOYSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338481564 366377657 /nfs/dbraw/zinc/37/76/57/366377657.db2.gz ZFBAWFWRTMMJHL-CYBMUJFWSA-N 1 0 291.351 2.050 20 5 CEBDRO CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881458 540267680 /nfs/dbraw/zinc/26/76/80/540267680.db2.gz LQKRAFVYMVKLJM-OLZOCXBDSA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414513131 236396005 /nfs/dbraw/zinc/39/60/05/236396005.db2.gz JSAITIZYFMJQRX-WZRBSPASSA-N 1 0 264.325 2.498 20 5 CEBDRO Cc1sc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294829312 199202418 /nfs/dbraw/zinc/20/24/18/199202418.db2.gz LKAHONLKWAOGMA-JTQLQIEISA-N 1 0 297.380 2.227 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465075 366443672 /nfs/dbraw/zinc/44/36/72/366443672.db2.gz HGQXBSHOIWBKND-GXFFZTMASA-N 1 0 252.314 2.262 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CCCO ZINC000294884342 199230638 /nfs/dbraw/zinc/23/06/38/199230638.db2.gz VVIZAJKBECAWLW-LBPRGKRZSA-N 1 0 296.367 2.492 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1CC(O)C1 ZINC000578142744 366450401 /nfs/dbraw/zinc/45/04/01/366450401.db2.gz TZJOEPGGHZFORR-QIMFLAQGSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135544128 366453187 /nfs/dbraw/zinc/45/31/87/366453187.db2.gz AWWKIFBNYAVXSZ-KBPBESRZSA-N 1 0 294.376 2.301 20 5 CEBDRO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135535150 366453317 /nfs/dbraw/zinc/45/33/17/366453317.db2.gz CRGCYSDNHCWRTO-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1sc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000570979237 299287980 /nfs/dbraw/zinc/28/79/80/299287980.db2.gz VWHWHOGUBFUNAN-UHFFFAOYSA-N 1 0 297.380 2.166 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000418140195 237320859 /nfs/dbraw/zinc/32/08/59/237320859.db2.gz VGWLMDNRQRGVIV-NSHDSACASA-N 1 0 285.294 2.024 20 5 CEBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453149767 283487067 /nfs/dbraw/zinc/48/70/67/283487067.db2.gz MNRBKFXOIVDXLT-GFCCVEGCSA-N 1 0 294.351 2.269 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579313528 366623634 /nfs/dbraw/zinc/62/36/34/366623634.db2.gz YQOMZLXKADIHOJ-UPJWGTAASA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1cnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000579334321 366627481 /nfs/dbraw/zinc/62/74/81/366627481.db2.gz ARPDQRVUDOUPEY-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151888453 366672581 /nfs/dbraw/zinc/67/25/81/366672581.db2.gz XRWWDAXCJYQHPK-UHFFFAOYSA-N 1 0 279.340 2.007 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000081275268 363709203 /nfs/dbraw/zinc/70/92/03/363709203.db2.gz RYEKIDDHBWCQQZ-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177842405 189073851 /nfs/dbraw/zinc/07/38/51/189073851.db2.gz CQEKAHSVMASPPZ-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000178513021 189122642 /nfs/dbraw/zinc/12/26/42/189122642.db2.gz BUUALRVUWXACQV-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656529 189135375 /nfs/dbraw/zinc/13/53/75/189135375.db2.gz ZGMLIVUYNPDDRV-SMDDNHRTSA-N 1 0 291.351 2.255 20 5 CEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[NH2+]C1 ZINC000178912158 189154209 /nfs/dbraw/zinc/15/42/09/189154209.db2.gz ICDJPQQWUUHDFE-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000179137066 189172244 /nfs/dbraw/zinc/17/22/44/189172244.db2.gz DJTUNAMJIVNUPV-CYBMUJFWSA-N 1 0 292.335 2.431 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241511 216275478 /nfs/dbraw/zinc/27/54/78/216275478.db2.gz ZSFWGFKXZNFDJW-IUCAKERBSA-N 1 0 272.251 2.347 20 5 CEBDRO Cc1cnc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301466656 201019099 /nfs/dbraw/zinc/01/90/99/201019099.db2.gz XSVPXWBHCLYZKK-LBPRGKRZSA-N 1 0 264.329 2.050 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCC[NH2+]1 ZINC000083896536 363790253 /nfs/dbraw/zinc/79/02/53/363790253.db2.gz BJTXMYHBCOUYMM-GFCCVEGCSA-N 1 0 263.297 2.066 20 5 CEBDRO Cc1nc(NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000301622642 201100629 /nfs/dbraw/zinc/10/06/29/201100629.db2.gz FWSJPDVIEUKBAM-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000581496481 366787057 /nfs/dbraw/zinc/78/70/57/366787057.db2.gz JJECJHIYSXBTJQ-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025449183 361626838 /nfs/dbraw/zinc/62/68/38/361626838.db2.gz PJBHXLDGWLYBAE-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO COCC[N@H+](C)CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000088700805 363913772 /nfs/dbraw/zinc/91/37/72/363913772.db2.gz BTUKRMBWWYIGIJ-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089511975 363975121 /nfs/dbraw/zinc/97/51/21/363975121.db2.gz AJJVZNVUFMROBX-YPMHNXCESA-N 1 0 263.341 2.025 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000572000592 299338097 /nfs/dbraw/zinc/33/80/97/299338097.db2.gz JRXDKDNSICFVND-ZJUUUORDSA-N 1 0 280.328 2.151 20 5 CEBDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092643746 364093340 /nfs/dbraw/zinc/09/33/40/364093340.db2.gz DZRMCGAMDISVRM-ZDUSSCGKSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000092938437 364119968 /nfs/dbraw/zinc/11/99/68/364119968.db2.gz DBLKAPTVBSFCLT-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093988657 364244994 /nfs/dbraw/zinc/24/49/94/364244994.db2.gz OZYNRGPTNYXMII-VHSXEESVSA-N 1 0 297.380 2.177 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774927 364295607 /nfs/dbraw/zinc/29/56/07/364295607.db2.gz LMSLJKKDOZKOAK-GFCCVEGCSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000094941723 364309527 /nfs/dbraw/zinc/30/95/27/364309527.db2.gz FFRUQMQDUOWWFY-QWRGUYRKSA-N 1 0 252.314 2.406 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000103453065 364656274 /nfs/dbraw/zinc/65/62/74/364656274.db2.gz BNKZPUUHGQHMRU-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO COCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000112352861 364796707 /nfs/dbraw/zinc/79/67/07/364796707.db2.gz HGOYUXWHEPITMD-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO Cn1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000572200885 299352013 /nfs/dbraw/zinc/35/20/13/299352013.db2.gz JXKMKAYNMSMAJI-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO COCCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000116886494 365077883 /nfs/dbraw/zinc/07/78/83/365077883.db2.gz LNXBPVASHPOTQH-UHFFFAOYSA-N 1 0 294.351 2.222 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118842304 365181618 /nfs/dbraw/zinc/18/16/18/365181618.db2.gz DQJIKLGLBIQCGO-ZDUSSCGKSA-N 1 0 277.368 2.368 20 5 CEBDRO C[C@@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000119008332 365199404 /nfs/dbraw/zinc/19/94/04/365199404.db2.gz BXEWFXYHBPJFML-BXUZGUMPSA-N 1 0 278.352 2.276 20 5 CEBDRO CCC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120918837 365495515 /nfs/dbraw/zinc/49/55/15/365495515.db2.gz SRBUUBIEMAOQPC-GFCCVEGCSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159725602 366943099 /nfs/dbraw/zinc/94/30/99/366943099.db2.gz GKKOPRFWIQIWBK-LBPRGKRZSA-N 1 0 279.340 2.021 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000159725758 366943276 /nfs/dbraw/zinc/94/32/76/366943276.db2.gz ARLWSUCZFNWVMM-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000340584947 366945384 /nfs/dbraw/zinc/94/53/84/366945384.db2.gz WCFJIZZEVWSBGK-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1c(CN(C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000160164903 366977725 /nfs/dbraw/zinc/97/77/25/366977725.db2.gz JCDHOTGHBFMVNX-AWEZNQCLSA-N 1 0 263.341 2.072 20 5 CEBDRO [NH3+]CCCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583027704 366991626 /nfs/dbraw/zinc/99/16/26/366991626.db2.gz ZLSTWLLFKXZZQQ-UHFFFAOYSA-N 1 0 291.351 2.215 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000162960623 367207423 /nfs/dbraw/zinc/20/74/23/367207423.db2.gz UDYUIQQWFIMOHQ-UTUOFQBUSA-N 1 0 266.345 2.206 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597922468 367209390 /nfs/dbraw/zinc/20/93/90/367209390.db2.gz DCZQHXMXPNGCFJ-GFCCVEGCSA-N 1 0 291.351 2.197 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601155457 367215517 /nfs/dbraw/zinc/21/55/17/367215517.db2.gz IYUKTMWENAHYOV-LLVKDONJSA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1nc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000357948330 370847904 /nfs/dbraw/zinc/84/79/04/370847904.db2.gz RVHIOQHGJMWZDC-UHFFFAOYSA-N 1 0 292.383 2.254 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449693 367240870 /nfs/dbraw/zinc/24/08/70/367240870.db2.gz JNFHSTYBIPYQCE-YPMHNXCESA-N 1 0 263.341 2.012 20 5 CEBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000171057011 367468815 /nfs/dbraw/zinc/46/88/15/367468815.db2.gz FRTQWVYEQKYIPV-UHFFFAOYSA-N 1 0 291.351 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCC2CC2)c1 ZINC000572476177 299371794 /nfs/dbraw/zinc/37/17/94/299371794.db2.gz KULMWPIXAHDKQI-CQSZACIVSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173432260 367910988 /nfs/dbraw/zinc/91/09/88/367910988.db2.gz XLTNQLHCQJHFST-ICCXJUOJSA-N 1 0 250.298 2.159 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434478 367911153 /nfs/dbraw/zinc/91/11/53/367911153.db2.gz VWXAZTKPCFETHT-GIPNMCIBSA-N 1 0 284.381 2.358 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174463227 368026374 /nfs/dbraw/zinc/02/63/74/368026374.db2.gz AMUHRCZOLLOTJT-LBPRGKRZSA-N 1 0 291.351 2.009 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCOC ZINC000175131456 368103799 /nfs/dbraw/zinc/10/37/99/368103799.db2.gz ZLNMGANYACFGAV-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncn2C)cc1[N+](=O)[O-] ZINC000175057280 368094395 /nfs/dbraw/zinc/09/43/95/368094395.db2.gz FKCSURBOTSTKFW-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000181484628 368461627 /nfs/dbraw/zinc/46/16/27/368461627.db2.gz GRYBHZKQTNWQFP-AWEZNQCLSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209379 368535102 /nfs/dbraw/zinc/53/51/02/368535102.db2.gz XZIXCDPSYVNMOU-AAEUAGOBSA-N 1 0 294.351 2.065 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000246039524 370902172 /nfs/dbraw/zinc/90/21/72/370902172.db2.gz AJAQAFFOABXHSB-TZMCWYRMSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693081 368774765 /nfs/dbraw/zinc/77/47/65/368774765.db2.gz KRWMZBROZUUYKF-JRCXTIHVSA-N 1 0 275.352 2.277 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348199839 368947481 /nfs/dbraw/zinc/94/74/81/368947481.db2.gz QTJDJFKMXWOJGD-INIZCTEOSA-N 1 0 289.379 2.306 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1cccs1 ZINC000348418382 369041213 /nfs/dbraw/zinc/04/12/13/369041213.db2.gz UWJNQUVLRZLQDX-UHFFFAOYSA-N 1 0 280.353 2.415 20 5 CEBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348482412 369059836 /nfs/dbraw/zinc/05/98/36/369059836.db2.gz VZGPVMCKISZANP-MWLCHTKSSA-N 1 0 284.385 2.092 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)CO)cc1[N+](=O)[O-] ZINC000188672047 369392519 /nfs/dbraw/zinc/39/25/19/369392519.db2.gz OQNUWHDRGPRSSD-JQWIXIFHSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(Cl)c1 ZINC000188847281 369418277 /nfs/dbraw/zinc/41/82/77/369418277.db2.gz ROQKPGDXDRDZKC-BXKDBHETSA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000349962181 369466560 /nfs/dbraw/zinc/46/65/60/369466560.db2.gz HNIFJVIQUIWMTO-CQSZACIVSA-N 1 0 296.392 2.203 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000349976590 369472966 /nfs/dbraw/zinc/47/29/66/369472966.db2.gz PTCNJSRVZVSFNY-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000350006924 369481589 /nfs/dbraw/zinc/48/15/89/369481589.db2.gz GGYZJSIIESJKMV-CYBMUJFWSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189305003 369493635 /nfs/dbraw/zinc/49/36/35/369493635.db2.gz NMRNGYZISOCQDP-LDYMZIIASA-N 1 0 297.742 2.119 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267466 370984624 /nfs/dbraw/zinc/98/46/24/370984624.db2.gz QBFZJWLBMXKTGM-ZLKJLUDKSA-N 1 0 291.351 2.160 20 5 CEBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000190931152 369662927 /nfs/dbraw/zinc/66/29/27/369662927.db2.gz IWZBWTHAUYXRQO-VHSXEESVSA-N 1 0 256.327 2.313 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191806406 369744812 /nfs/dbraw/zinc/74/48/12/369744812.db2.gz IYPXUUXOZSYKCB-YPMHNXCESA-N 1 0 292.335 2.226 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000192467376 369816639 /nfs/dbraw/zinc/81/66/39/369816639.db2.gz GMHSSKOLQINSJR-JTQLQIEISA-N 1 0 284.385 2.362 20 5 CEBDRO CN(Cc1cn2cccnc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000192641774 369838386 /nfs/dbraw/zinc/83/83/86/369838386.db2.gz COLDDFCABDLTFD-UHFFFAOYSA-N 1 0 297.318 2.270 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192778989 369853285 /nfs/dbraw/zinc/85/32/85/369853285.db2.gz PETYXZCDAMOFOM-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)c1 ZINC000193386409 369936331 /nfs/dbraw/zinc/93/63/31/369936331.db2.gz XLAXVCAKHRRFID-UHFFFAOYSA-N 1 0 264.329 2.075 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)C(C)C ZINC000352892654 369937695 /nfs/dbraw/zinc/93/76/95/369937695.db2.gz LLOLZOSAFMXVJC-CQSZACIVSA-N 1 0 282.340 2.100 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194419700 370037453 /nfs/dbraw/zinc/03/74/53/370037453.db2.gz PJJXCOFNMJCMFR-ZDUSSCGKSA-N 1 0 278.308 2.386 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH+](C)C)CC1 ZINC000193806993 369983583 /nfs/dbraw/zinc/98/35/83/369983583.db2.gz XLCVNYQAHPEBSP-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354005192 370173762 /nfs/dbraw/zinc/17/37/62/370173762.db2.gz FNNLRSRXMVLRLZ-LLVKDONJSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195508715 370134901 /nfs/dbraw/zinc/13/49/01/370134901.db2.gz MYJCEGFIPILKMG-SECBINFHSA-N 1 0 270.358 2.338 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000221255257 370240324 /nfs/dbraw/zinc/24/03/24/370240324.db2.gz FVCOUJXVQSPVNR-SNVBAGLBSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000224808702 370282162 /nfs/dbraw/zinc/28/21/62/370282162.db2.gz FLMCBUBNKUAGCS-NEPJUHHUSA-N 1 0 281.381 2.373 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1(C)CC[NH+](C)CC1 ZINC000227307247 370366072 /nfs/dbraw/zinc/36/60/72/370366072.db2.gz AIICMDJEMYZOMJ-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO COC(=O)C(C)(C)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000354586185 370422454 /nfs/dbraw/zinc/42/24/54/370422454.db2.gz ORMPKDWVCZQIQV-UHFFFAOYSA-N 1 0 294.351 2.316 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591458 370407549 /nfs/dbraw/zinc/40/75/49/370407549.db2.gz FATYDUDPFQLRBJ-MWLCHTKSSA-N 1 0 252.314 2.010 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230222318 370446704 /nfs/dbraw/zinc/44/67/04/370446704.db2.gz VHROTDBAKFMBFX-NSHDSACASA-N 1 0 258.343 2.297 20 5 CEBDRO Cc1sc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236615518 370597439 /nfs/dbraw/zinc/59/74/39/370597439.db2.gz SCIDQNMPQSVEBH-SNVBAGLBSA-N 1 0 299.396 2.410 20 5 CEBDRO Cc1cc(NC[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000235905892 370580475 /nfs/dbraw/zinc/58/04/75/370580475.db2.gz JHZDPLAEUXWREW-LBPRGKRZSA-N 1 0 297.261 2.489 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]21 ZINC000248408319 371188498 /nfs/dbraw/zinc/18/84/98/371188498.db2.gz CBEWBRIBORMOQA-KWCYVHTRSA-N 1 0 278.356 2.302 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249056626 371287216 /nfs/dbraw/zinc/28/72/16/371287216.db2.gz IYPXUUXOZSYKCB-WCQYABFASA-N 1 0 292.335 2.226 20 5 CEBDRO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251698511 371412035 /nfs/dbraw/zinc/41/20/35/371412035.db2.gz JUUAMLDIIRQJDJ-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252890337 371488855 /nfs/dbraw/zinc/48/88/55/371488855.db2.gz HIPOQPPVUHSXRU-RYUDHWBXSA-N 1 0 295.314 2.009 20 5 CEBDRO CCCC[N@H+](C)CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360913005 371541952 /nfs/dbraw/zinc/54/19/52/371541952.db2.gz GQNDEOVSZBDXNP-UHFFFAOYSA-N 1 0 283.376 2.263 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361044262 371617472 /nfs/dbraw/zinc/61/74/72/371617472.db2.gz RPCHFUGXGWXLBM-BAEOLTKYSA-N 1 0 264.325 2.357 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](C)O ZINC000361008809 371596147 /nfs/dbraw/zinc/59/61/47/371596147.db2.gz HHYMVISRRBAOCC-VNKGSWCUSA-N 1 0 264.325 2.311 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261596707 371671398 /nfs/dbraw/zinc/67/13/98/371671398.db2.gz NTYYTTVFHIACNE-CYBMUJFWSA-N 1 0 281.312 2.059 20 5 CEBDRO Cc1c(CN2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736925 371714025 /nfs/dbraw/zinc/71/40/25/371714025.db2.gz LTBRUEWFNBIDGZ-HNNXBMFYSA-N 1 0 275.352 2.089 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH2+]C)C1 ZINC000261791270 371733715 /nfs/dbraw/zinc/73/37/15/371733715.db2.gz QKIWMTDMNQJPMW-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000361251637 371740626 /nfs/dbraw/zinc/74/06/26/371740626.db2.gz MXEYAGMWXGEPJQ-ZETCQYMHSA-N 1 0 291.336 2.233 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261984201 371790662 /nfs/dbraw/zinc/79/06/62/371790662.db2.gz JORNMZZKKLIDEM-BTKRWWFXSA-N 1 0 275.352 2.292 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000089106448 291532444 /nfs/dbraw/zinc/53/24/44/291532444.db2.gz HVPSLBRRPQSTTJ-AAEUAGOBSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205621 217098472 /nfs/dbraw/zinc/09/84/72/217098472.db2.gz DGGJBFOLHZOAQQ-BXUZGUMPSA-N 1 0 293.367 2.033 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701940 372185738 /nfs/dbraw/zinc/18/57/38/372185738.db2.gz BUGSPRSTWAFZPI-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099553 372340604 /nfs/dbraw/zinc/34/06/04/372340604.db2.gz TUHPNFTWPGFXLE-GWCFXTLKSA-N 1 0 279.340 2.160 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]C3CC3)CC2)c(Cl)c1 ZINC000269305162 372414100 /nfs/dbraw/zinc/41/41/00/372414100.db2.gz WLXKPGQFZSWCQC-UHFFFAOYSA-N 1 0 296.758 2.364 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000344390653 217179437 /nfs/dbraw/zinc/17/94/37/217179437.db2.gz XKYNFKGAWPGXCF-CYBMUJFWSA-N 1 0 250.298 2.111 20 5 CEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344417543 217188576 /nfs/dbraw/zinc/18/85/76/217188576.db2.gz FECGNRMJUFVQCA-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344444417 217192353 /nfs/dbraw/zinc/19/23/53/217192353.db2.gz YGORPFKMTRMLIL-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000269660060 372523078 /nfs/dbraw/zinc/52/30/78/372523078.db2.gz OLLHUIGFXVVKMF-CYBMUJFWSA-N 1 0 266.341 2.434 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344508189 217216515 /nfs/dbraw/zinc/21/65/15/217216515.db2.gz DGPKTRKOQCGQCB-BRLPQQTGSA-N 1 0 296.392 2.312 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COCCO1 ZINC000344797989 217314903 /nfs/dbraw/zinc/31/49/03/217314903.db2.gz XDJZRTMUXDQVNY-BLMSOEDDSA-N 1 0 292.335 2.003 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)O ZINC000344885557 217344356 /nfs/dbraw/zinc/34/43/56/217344356.db2.gz UGBMYCWCHCCULE-YRNVUSSQSA-N 1 0 264.325 2.359 20 5 CEBDRO COC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272074600 373293917 /nfs/dbraw/zinc/29/39/17/373293917.db2.gz DGGIHOKUIXNJTC-SECBINFHSA-N 1 0 272.732 2.415 20 5 CEBDRO Cc1cc(N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000369019090 373314661 /nfs/dbraw/zinc/31/46/61/373314661.db2.gz NWZOEUJJKICTJU-CYBMUJFWSA-N 1 0 287.323 2.336 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC(C)(C)[NH+](C)C ZINC000573612273 299444661 /nfs/dbraw/zinc/44/46/61/299444661.db2.gz DEBDKLPXPVDCFK-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO COc1ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272839634 373676542 /nfs/dbraw/zinc/67/65/42/373676542.db2.gz GMCAGKJHMRJZQU-CYBMUJFWSA-N 1 0 295.339 2.128 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000370990105 373768292 /nfs/dbraw/zinc/76/82/92/373768292.db2.gz BPCGBOLJMYHJDA-GJZGRUSLSA-N 1 0 290.363 2.496 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000289529236 197390696 /nfs/dbraw/zinc/39/06/96/197390696.db2.gz MWOADTZMGDOQAG-CQSZACIVSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)OCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373234027 374302240 /nfs/dbraw/zinc/30/22/40/374302240.db2.gz XFSBAIDZRRQHJS-UHFFFAOYSA-N 1 0 296.371 2.243 20 5 CEBDRO C[Si](C)(C)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373581464 374383467 /nfs/dbraw/zinc/38/34/67/374383467.db2.gz FDZYGJFYQIVLIZ-NSHDSACASA-N 1 0 282.420 2.306 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374051247 374473480 /nfs/dbraw/zinc/47/34/80/374473480.db2.gz QLXUNSJUBYCYKO-LBPRGKRZSA-N 1 0 287.323 2.093 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374389309 374557946 /nfs/dbraw/zinc/55/79/46/374557946.db2.gz FRKLGEQGELRKND-KBPBESRZSA-N 1 0 276.336 2.453 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cs1 ZINC000374541470 374595524 /nfs/dbraw/zinc/59/55/24/374595524.db2.gz NWIUKJDHDAWWKJ-SNVBAGLBSA-N 1 0 278.337 2.027 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000277719912 374622430 /nfs/dbraw/zinc/62/24/30/374622430.db2.gz JDPZWEVYTHZAHY-YPMHNXCESA-N 1 0 264.325 2.418 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[N@H+]3CC=CCC3)nc2c1 ZINC000280275165 375152267 /nfs/dbraw/zinc/15/22/67/375152267.db2.gz PGLVCIMZILOCCK-UHFFFAOYSA-N 1 0 287.323 2.145 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1OCC[C@@H]1CC[NH2+]C1 ZINC000385347786 375232442 /nfs/dbraw/zinc/23/24/42/375232442.db2.gz DBLZTCVBKJFLRA-VIFPVBQESA-N 1 0 254.261 2.112 20 5 CEBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211707 375284853 /nfs/dbraw/zinc/28/48/53/375284853.db2.gz GJKHURMVIHIDRJ-YGRLFVJLSA-N 1 0 264.325 2.498 20 5 CEBDRO Cc1c(C(=O)NC2(C[NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000281126080 375356975 /nfs/dbraw/zinc/35/69/75/375356975.db2.gz SSOGCWTYPSYJIQ-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137925 375413278 /nfs/dbraw/zinc/41/32/78/375413278.db2.gz BUXZJKXHMGEPEO-GIGQVBGESA-N 1 0 282.365 2.157 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408227077 375433355 /nfs/dbraw/zinc/43/33/55/375433355.db2.gz QXPXTRTXXXYUAL-PSASIEDQSA-N 1 0 297.380 2.177 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283072701 375648252 /nfs/dbraw/zinc/64/82/52/375648252.db2.gz KFKBVMLIIFZMQU-PWSUYJOCSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283921999 375781805 /nfs/dbraw/zinc/78/18/05/375781805.db2.gz DRJIZCVWVZFVPP-ZJUUUORDSA-N 1 0 289.339 2.322 20 5 CEBDRO C[C@]1(F)C[NH2+]CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414770811 375958744 /nfs/dbraw/zinc/95/87/44/375958744.db2.gz PLKYYVCSHQVGFL-VOKGJARPSA-N 1 0 293.342 2.241 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000286377855 375932553 /nfs/dbraw/zinc/93/25/53/375932553.db2.gz YZAKNIVVQHUBAG-DOMZBBRYSA-N 1 0 294.351 2.114 20 5 CEBDRO CCCC[C@@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1 ZINC000414814452 376002785 /nfs/dbraw/zinc/00/27/85/376002785.db2.gz NSARPVFKAYFKRE-LBPRGKRZSA-N 1 0 251.330 2.202 20 5 CEBDRO CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286768180 376060778 /nfs/dbraw/zinc/06/07/78/376060778.db2.gz ZRGJUOXMIJXZNK-SNVBAGLBSA-N 1 0 269.370 2.182 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+](C)C ZINC000287424389 376230171 /nfs/dbraw/zinc/23/01/71/376230171.db2.gz DXXSXUOFXVTULH-NSHDSACASA-N 1 0 294.355 2.283 20 5 CEBDRO CC[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC000419230915 376404116 /nfs/dbraw/zinc/40/41/16/376404116.db2.gz JIYFICIQKMMEQV-CQSZACIVSA-N 1 0 264.325 2.378 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305760141 376476963 /nfs/dbraw/zinc/47/69/63/376476963.db2.gz JKPICXRDPYIFSV-GYSYKLTISA-N 1 0 264.325 2.359 20 5 CEBDRO COc1ncccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289676037 376441817 /nfs/dbraw/zinc/44/18/17/376441817.db2.gz CDHKBOFXXBBBTL-UHFFFAOYSA-N 1 0 293.348 2.392 20 5 CEBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263771469 190077649 /nfs/dbraw/zinc/07/76/49/190077649.db2.gz WOYNJFZJMOAUSP-NSHDSACASA-N 1 0 250.298 2.315 20 5 CEBDRO Cc1nc(N[C@@H](C[NH3+])C2CCCCC2)ncc1[N+](=O)[O-] ZINC000420179198 376592847 /nfs/dbraw/zinc/59/28/47/376592847.db2.gz BQTPFAXSJNLITN-NSHDSACASA-N 1 0 279.344 2.013 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000310838113 376640470 /nfs/dbraw/zinc/64/04/70/376640470.db2.gz AMMVYTNIBWZMIY-KOLCDFICSA-N 1 0 250.298 2.492 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000311951420 376695637 /nfs/dbraw/zinc/69/56/37/376695637.db2.gz MUYZCTVFLAREAL-CHWSQXEVSA-N 1 0 264.325 2.500 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000314048896 376763138 /nfs/dbraw/zinc/76/31/38/376763138.db2.gz OWKRQJVQXKMOEU-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH3+])cc1 ZINC000314567032 376776330 /nfs/dbraw/zinc/77/63/30/376776330.db2.gz NFPONASLRWYDDS-UHFFFAOYSA-N 1 0 299.330 2.326 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319988927 376819939 /nfs/dbraw/zinc/81/99/39/376819939.db2.gz ACZXJPIGLWBYSM-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO C[NH2+]CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423202231 377118430 /nfs/dbraw/zinc/11/84/30/377118430.db2.gz QJBKBPKXSRCJFG-AWEZNQCLSA-N 1 0 263.341 2.171 20 5 CEBDRO COc1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330577031 377191554 /nfs/dbraw/zinc/19/15/54/377191554.db2.gz GTLZHNPTJLZGNY-NWDGAFQWSA-N 1 0 293.367 2.128 20 5 CEBDRO Cc1ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292249430 377234295 /nfs/dbraw/zinc/23/42/95/377234295.db2.gz KCQMOTJJOJCWDR-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331043600 377255912 /nfs/dbraw/zinc/25/59/12/377255912.db2.gz DPGHHIGVRHLPPH-LLVKDONJSA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331133932 377295714 /nfs/dbraw/zinc/29/57/14/377295714.db2.gz RHNSPNWJRPTUNS-DGCLKSJQSA-N 1 0 296.371 2.012 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000331272216 377353913 /nfs/dbraw/zinc/35/39/13/377353913.db2.gz NYRYCWHTXPBKHU-DOMZBBRYSA-N 1 0 278.352 2.230 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292928212 377356977 /nfs/dbraw/zinc/35/69/77/377356977.db2.gz GRAGYPMQYLFNHS-ZDUSSCGKSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873952 377461293 /nfs/dbraw/zinc/46/12/93/377461293.db2.gz MCGAOYCOIRLPFX-AAEUAGOBSA-N 1 0 286.335 2.457 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(Cc3ccccc3[N+](=O)[O-])nc21 ZINC000564840937 377474010 /nfs/dbraw/zinc/47/40/10/377474010.db2.gz ZIAJYWCIVLTNSE-LBPRGKRZSA-N 1 0 272.308 2.176 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000332425101 377599327 /nfs/dbraw/zinc/59/93/27/377599327.db2.gz BOQVPHAGEAUXIW-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO CSCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332696440 377673716 /nfs/dbraw/zinc/67/37/16/377673716.db2.gz SPKHLMMVGJNVMT-UHFFFAOYSA-N 1 0 267.354 2.101 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000439093593 377919134 /nfs/dbraw/zinc/91/91/34/377919134.db2.gz RIWHLQDJNCQPHL-GFCCVEGCSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000439276411 377926209 /nfs/dbraw/zinc/92/62/09/377926209.db2.gz UCPJHPLEXOHPTC-JOCQHMNTSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000265998726 190221764 /nfs/dbraw/zinc/22/17/64/190221764.db2.gz CZXOPJOWLMUOQN-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO CO[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000442997987 378026265 /nfs/dbraw/zinc/02/62/65/378026265.db2.gz HTTKEIWHAXDWHC-XOIDGJRKSA-N 1 0 250.298 2.233 20 5 CEBDRO CC1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000295982915 378381526 /nfs/dbraw/zinc/38/15/26/378381526.db2.gz KFCJWCZRSJYZTR-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000450535398 378464651 /nfs/dbraw/zinc/46/46/51/378464651.db2.gz MTKVYUJYTWPDKV-LBPRGKRZSA-N 1 0 264.329 2.276 20 5 CEBDRO CCC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000296302311 378483744 /nfs/dbraw/zinc/48/37/44/378483744.db2.gz NSMGFAYWBHRTPK-UHFFFAOYSA-N 1 0 252.318 2.104 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632504 378598119 /nfs/dbraw/zinc/59/81/19/378598119.db2.gz VSQHVTCAFZFHNR-VIFPVBQESA-N 1 0 282.319 2.212 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000266184743 190238363 /nfs/dbraw/zinc/23/83/63/190238363.db2.gz WNNJRXGSADYUBN-LBPRGKRZSA-N 1 0 282.321 2.247 20 5 CEBDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257390 378844099 /nfs/dbraw/zinc/84/40/99/378844099.db2.gz NCGUGEZIKXUHSA-RISCZKNCSA-N 1 0 282.340 2.033 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268692 378850252 /nfs/dbraw/zinc/85/02/52/378850252.db2.gz ZXSOJJJGJYSBEV-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000453245653 378838657 /nfs/dbraw/zinc/83/86/57/378838657.db2.gz HPOIAWUUIMIMIF-MJVIPROJSA-N 1 0 263.341 2.196 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000299042830 378883657 /nfs/dbraw/zinc/88/36/57/378883657.db2.gz CUHUSSUAONESEE-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413942 378894065 /nfs/dbraw/zinc/89/40/65/378894065.db2.gz WVKGDIUNAGHRRN-NHYWBVRUSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000278655472 194086004 /nfs/dbraw/zinc/08/60/04/194086004.db2.gz IIKXMUCFMPUQSC-LBPRGKRZSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000278690728 194105307 /nfs/dbraw/zinc/10/53/07/194105307.db2.gz GXUQGUZXDSWLLF-HUBLWGQQSA-N 1 0 294.351 2.094 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)C1CC1 ZINC000347351295 218201615 /nfs/dbraw/zinc/20/16/15/218201615.db2.gz DSIRNTGHBSHUFL-XFXZXTDPSA-N 1 0 276.336 2.455 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000347397369 218220066 /nfs/dbraw/zinc/22/00/66/218220066.db2.gz GITYOIUYKHZMMG-SNVBAGLBSA-N 1 0 299.334 2.187 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000299658013 379095573 /nfs/dbraw/zinc/09/55/73/379095573.db2.gz QCOFXOXWZGYXFC-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OCCC1CC[NH2+]CC1 ZINC000514936806 379164837 /nfs/dbraw/zinc/16/48/37/379164837.db2.gz RBJIFMLQPJIWGA-UHFFFAOYSA-N 1 0 285.731 2.412 20 5 CEBDRO Cc1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000302257008 379347388 /nfs/dbraw/zinc/34/73/88/379347388.db2.gz OQMQXLBHTGDOPK-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000302564045 379397347 /nfs/dbraw/zinc/39/73/47/379397347.db2.gz NDRPJLRXNVETBF-SKDRFNHKSA-N 1 0 252.339 2.436 20 5 CEBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000303989137 379506744 /nfs/dbraw/zinc/50/67/44/379506744.db2.gz KLMBZFQTRBUPMJ-NSHDSACASA-N 1 0 252.314 2.186 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000266854710 190284809 /nfs/dbraw/zinc/28/48/09/190284809.db2.gz SUVYORZAOKSCBU-NSHDSACASA-N 1 0 264.329 2.193 20 5 CEBDRO C[C@H](O)[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000304016668 379512259 /nfs/dbraw/zinc/51/22/59/379512259.db2.gz WVAYPVKHTCPUBS-GXFFZTMASA-N 1 0 282.315 2.469 20 5 CEBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC000347677250 218317240 /nfs/dbraw/zinc/31/72/40/218317240.db2.gz ACEAJFWWVNVNKN-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)C1 ZINC000267152021 190307465 /nfs/dbraw/zinc/30/74/65/190307465.db2.gz MRVONXFINOPZID-VXGBXAGGSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489468706 380193943 /nfs/dbraw/zinc/19/39/43/380193943.db2.gz YLKLAXCNDCUKSY-GXTWGEPZSA-N 1 0 294.351 2.065 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(C)CCCC1 ZINC000489881272 380218282 /nfs/dbraw/zinc/21/82/82/380218282.db2.gz HFAVRYRBLJHAQD-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826126 380568898 /nfs/dbraw/zinc/56/88/98/380568898.db2.gz WESIBVAYJRZIGF-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1[N+](=O)[O-] ZINC000554564093 380783015 /nfs/dbraw/zinc/78/30/15/380783015.db2.gz NMJNUWYUTVRGEB-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000279357918 194398905 /nfs/dbraw/zinc/39/89/05/194398905.db2.gz WAQDFOPVPPHFNA-STQMWFEESA-N 1 0 294.351 2.114 20 5 CEBDRO CCN(CCC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000289565776 284888236 /nfs/dbraw/zinc/88/82/36/284888236.db2.gz ZCTUSONHSRBRDZ-UHFFFAOYSA-N 1 0 271.386 2.430 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000581943354 322433348 /nfs/dbraw/zinc/43/33/48/322433348.db2.gz CFKBLTTWUWGDMQ-BDAKNGLRSA-N 1 0 280.328 2.151 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089563 285095962 /nfs/dbraw/zinc/09/59/62/285095962.db2.gz BCRFENRHDHRXPW-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000266306763 285128436 /nfs/dbraw/zinc/12/84/36/285128436.db2.gz ZMCOCYJNRUOFLL-CQSZACIVSA-N 1 0 259.309 2.045 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000350396940 219014352 /nfs/dbraw/zinc/01/43/52/219014352.db2.gz XTIAWUQKRJMOER-SWLSCSKDSA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCOCC1)CCO2 ZINC000352622230 285142089 /nfs/dbraw/zinc/14/20/89/285142089.db2.gz YZCITKYWJABMLC-UHFFFAOYSA-N 1 0 292.335 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1O)CCC2 ZINC000249047001 285145248 /nfs/dbraw/zinc/14/52/48/285145248.db2.gz WIOCZTCCXHBRBJ-RBSFLKMASA-N 1 0 276.336 2.475 20 5 CEBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190930672 533264750 /nfs/dbraw/zinc/26/47/50/533264750.db2.gz QPKZHDQOXSSEIH-AAEUAGOBSA-N 1 0 250.298 2.252 20 5 CEBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000189690742 130009981 /nfs/dbraw/zinc/00/99/81/130009981.db2.gz OZNVQUMUCSTUPV-UHFFFAOYSA-N 1 0 270.358 2.195 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000190399570 130098582 /nfs/dbraw/zinc/09/85/82/130098582.db2.gz AJKZRNLTIXUYJP-UHFFFAOYSA-N 1 0 280.372 2.466 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237491230 131035958 /nfs/dbraw/zinc/03/59/58/131035958.db2.gz KTMZWVDHIKNLLG-NHYWBVRUSA-N 1 0 291.351 2.080 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261610899 131156233 /nfs/dbraw/zinc/15/62/33/131156233.db2.gz DXAAMOHVZSYSPL-CYBMUJFWSA-N 1 0 291.351 2.085 20 5 CEBDRO O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000261638987 131158859 /nfs/dbraw/zinc/15/88/59/131158859.db2.gz WTGWAICTXRSIDL-SNVBAGLBSA-N 1 0 263.297 2.066 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261723111 131164223 /nfs/dbraw/zinc/16/42/23/131164223.db2.gz QGYFNUQKRGUYBG-JTNHKYCSSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000235364408 394484243 /nfs/dbraw/zinc/48/42/43/394484243.db2.gz RPWZZLRHZBFHRZ-MFKMUULPSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236625475 394485330 /nfs/dbraw/zinc/48/53/30/394485330.db2.gz SHAHBFGTUONSGQ-UHFFFAOYSA-N 1 0 293.367 2.359 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000413157187 394494144 /nfs/dbraw/zinc/49/41/44/394494144.db2.gz GWOISAKLKJOJHZ-RKDXNWHRSA-N 1 0 268.292 2.024 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000066138959 394576678 /nfs/dbraw/zinc/57/66/78/394576678.db2.gz TUPZFTUBSJDCGP-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413277281 394518000 /nfs/dbraw/zinc/51/80/00/394518000.db2.gz DMOUEIYFNBUFBT-UHFFFAOYSA-N 1 0 296.346 2.441 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000355782140 394530238 /nfs/dbraw/zinc/53/02/38/394530238.db2.gz DPUGATNWQWSLGR-WOPDTQHZSA-N 1 0 266.345 2.158 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC000413433876 394550695 /nfs/dbraw/zinc/55/06/95/394550695.db2.gz FJBZQTZOENBYNQ-GFCCVEGCSA-N 1 0 295.387 2.263 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000093873403 394670419 /nfs/dbraw/zinc/67/04/19/394670419.db2.gz USKYBOXJLAMJCS-CMDGGOBGSA-N 1 0 291.351 2.051 20 5 CEBDRO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093465642 394667373 /nfs/dbraw/zinc/66/73/73/394667373.db2.gz CGAVULCQWDLOAL-YPMHNXCESA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000093465641 394667495 /nfs/dbraw/zinc/66/74/95/394667495.db2.gz CGAVULCQWDLOAL-AAEUAGOBSA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405778 394639950 /nfs/dbraw/zinc/63/99/50/394639950.db2.gz IRINLVXCLMIAHI-WFASDCNBSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000110560517 394736299 /nfs/dbraw/zinc/73/62/99/394736299.db2.gz ATTXNQCQESJGJT-ZDUSSCGKSA-N 1 0 293.367 2.142 20 5 CEBDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015632 394707603 /nfs/dbraw/zinc/70/76/03/394707603.db2.gz YIZPOGDLJSNZFJ-GXFFZTMASA-N 1 0 282.365 2.113 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC[NH2+]2)CC1 ZINC000422562687 394711880 /nfs/dbraw/zinc/71/18/80/394711880.db2.gz QRTNIMWPSQAPIG-HWKANZROSA-N 1 0 287.363 2.436 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)CC[NH3+] ZINC000422569492 394713768 /nfs/dbraw/zinc/71/37/68/394713768.db2.gz DWEHHAGXHNZYDV-UHFFFAOYSA-N 1 0 294.355 2.461 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000270099030 394726140 /nfs/dbraw/zinc/72/61/40/394726140.db2.gz LBWFPRDFFGBLLK-GXTWGEPZSA-N 1 0 294.351 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414829624 394757846 /nfs/dbraw/zinc/75/78/46/394757846.db2.gz NRVXEGHIBTZLPI-SNVBAGLBSA-N 1 0 283.759 2.337 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000414921173 394803721 /nfs/dbraw/zinc/80/37/21/394803721.db2.gz FEIMRQLTVFXQII-VHSXEESVSA-N 1 0 255.343 2.016 20 5 CEBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414945726 394817157 /nfs/dbraw/zinc/81/71/57/394817157.db2.gz RYXBRMWVYAULTD-ZANVPECISA-N 1 0 283.759 2.336 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952798 394821908 /nfs/dbraw/zinc/82/19/08/394821908.db2.gz QZGDPOFYQMBXNU-KOLCDFICSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278832406 394836991 /nfs/dbraw/zinc/83/69/91/394836991.db2.gz OYWKWGORFDWLEX-CQDKDKBSSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414992053 394839518 /nfs/dbraw/zinc/83/95/18/394839518.db2.gz QZCANROAFNUWEX-YPMHNXCESA-N 1 0 265.357 2.243 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000127426343 394851786 /nfs/dbraw/zinc/85/17/86/394851786.db2.gz YSBHUWMHSRPJTJ-CQSZACIVSA-N 1 0 279.340 2.088 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127684393 394852023 /nfs/dbraw/zinc/85/20/23/394852023.db2.gz FRHRXMQHHHKKOT-NSHDSACASA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000362373719 394857100 /nfs/dbraw/zinc/85/71/00/394857100.db2.gz OJJRYERDMHUGOL-KOLCDFICSA-N 1 0 277.324 2.039 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415035659 394857897 /nfs/dbraw/zinc/85/78/97/394857897.db2.gz DZSJUGKLPSUULZ-DLBZAZTESA-N 1 0 297.358 2.440 20 5 CEBDRO Cc1ccc([C@@H](C)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423341911 394892429 /nfs/dbraw/zinc/89/24/29/394892429.db2.gz YEUUQNWPJVQGPI-LLVKDONJSA-N 1 0 263.341 2.435 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338049230 394903286 /nfs/dbraw/zinc/90/32/86/394903286.db2.gz QOTXYXQPOKPSBU-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000282079447 394907628 /nfs/dbraw/zinc/90/76/28/394907628.db2.gz ZPXULJFBUPHZJW-JTQLQIEISA-N 1 0 282.369 2.480 20 5 CEBDRO CC[C@H](N[C@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444429 394923277 /nfs/dbraw/zinc/92/32/77/394923277.db2.gz LUSSDPGVPMHCTD-CWSCBRNRSA-N 1 0 251.330 2.371 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415477444 394935849 /nfs/dbraw/zinc/93/58/49/394935849.db2.gz BAUYMSRTOPWIMY-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415504847 394939107 /nfs/dbraw/zinc/93/91/07/394939107.db2.gz PQNWRJQDJMZCLF-RNCFNFMXSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415509469 394939988 /nfs/dbraw/zinc/93/99/88/394939988.db2.gz WNSIPIJHGOIMAQ-AWEZNQCLSA-N 1 0 292.339 2.106 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC000423507220 394940393 /nfs/dbraw/zinc/94/03/93/394940393.db2.gz IDPDJPHJIQJVJC-VIFPVBQESA-N 1 0 297.380 2.174 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153616836 395012300 /nfs/dbraw/zinc/01/23/00/395012300.db2.gz VFBLOKXDZXSQOI-OAHLLOKOSA-N 1 0 292.335 2.086 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415765415 394961726 /nfs/dbraw/zinc/96/17/26/394961726.db2.gz QVOATDQLIWOWJU-LBPRGKRZSA-N 1 0 292.339 2.016 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415768475 394962810 /nfs/dbraw/zinc/96/28/10/394962810.db2.gz VRSMVOKKWLVAND-SNVBAGLBSA-N 1 0 294.355 2.406 20 5 CEBDRO CC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])COC1 ZINC000285878466 394977162 /nfs/dbraw/zinc/97/71/62/394977162.db2.gz JIEBYPGWILHRIB-UHFFFAOYSA-N 1 0 284.743 2.417 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427123515 395092993 /nfs/dbraw/zinc/09/29/93/395092993.db2.gz XXTWFOPZQHBGFD-DZGCQCFKSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000156195090 395031505 /nfs/dbraw/zinc/03/15/05/395031505.db2.gz XBOAPYJSYKJABR-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000290743409 395115639 /nfs/dbraw/zinc/11/56/39/395115639.db2.gz RTYWCIRDZDFMPA-LLVKDONJSA-N 1 0 266.345 2.439 20 5 CEBDRO CNC(=O)[C@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417350151 395120276 /nfs/dbraw/zinc/12/02/76/395120276.db2.gz OLBOQZYORPLWFS-HZMBPMFUSA-N 1 0 291.351 2.086 20 5 CEBDRO C[NH+](C)C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397754087 395225595 /nfs/dbraw/zinc/22/55/95/395225595.db2.gz FNUXMFPBWYHEMM-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000420341741 395336548 /nfs/dbraw/zinc/33/65/48/395336548.db2.gz QDIZRXZWBNEYNB-OCCSQVGLSA-N 1 0 293.367 2.033 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996089 395345007 /nfs/dbraw/zinc/34/50/07/395345007.db2.gz RIRKPWYDIGRTNG-OBJOEFQTSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515410 395400951 /nfs/dbraw/zinc/40/09/51/395400951.db2.gz KDBFWNYCIILTJB-UWVGGRQHSA-N 1 0 284.385 2.148 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420645055 395401218 /nfs/dbraw/zinc/40/12/18/395401218.db2.gz ZUFRDSLTUGZTBY-NSHDSACASA-N 1 0 290.367 2.093 20 5 CEBDRO CC(C)[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000194362491 395433354 /nfs/dbraw/zinc/43/33/54/395433354.db2.gz CTWRVFPNRAUPIE-CYBMUJFWSA-N 1 0 296.367 2.453 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000567898427 395539952 /nfs/dbraw/zinc/53/99/52/395539952.db2.gz POAVZAPJGWPUDR-PWSUYJOCSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000446035093 395478819 /nfs/dbraw/zinc/47/88/19/395478819.db2.gz AKKZGWKPCVFDKL-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c[nH]cn1 ZINC000446154413 395487156 /nfs/dbraw/zinc/48/71/56/395487156.db2.gz RFWCKVIDHZGRRY-UHFFFAOYSA-N 1 0 294.698 2.210 20 5 CEBDRO C[NH+](C)CCSCCOc1ccccc1[N+](=O)[O-] ZINC000446575167 395493888 /nfs/dbraw/zinc/49/38/88/395493888.db2.gz YIWAMEOOMYFKHZ-UHFFFAOYSA-N 1 0 270.354 2.268 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451241933 395597433 /nfs/dbraw/zinc/59/74/33/395597433.db2.gz LYMIKRWUVRPPLR-LBPRGKRZSA-N 1 0 290.323 2.128 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000045691575 400157961 /nfs/dbraw/zinc/15/79/61/400157961.db2.gz VAGSAGXRSKNNCE-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO CCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000135226629 400280414 /nfs/dbraw/zinc/28/04/14/400280414.db2.gz NSVCLBWWFXXZMI-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360517590 155318626 /nfs/dbraw/zinc/31/86/26/155318626.db2.gz ZHSIBYLSFHDAID-AWEZNQCLSA-N 1 0 293.367 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000088147753 292283237 /nfs/dbraw/zinc/28/32/37/292283237.db2.gz GMPNGFVAUIKBCN-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000227526140 153348326 /nfs/dbraw/zinc/34/83/26/153348326.db2.gz MHOHPTQZKCAFQJ-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107117 153357213 /nfs/dbraw/zinc/35/72/13/153357213.db2.gz KTVQUBDJRUKSJA-IMSIIYSGSA-N 1 0 296.754 2.451 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378821 153393593 /nfs/dbraw/zinc/39/35/93/153393593.db2.gz LHKVGRZPVDITHH-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230670632 153397743 /nfs/dbraw/zinc/39/77/43/153397743.db2.gz LQEWPFVHRHCYAR-WCQYABFASA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000230668635 153398772 /nfs/dbraw/zinc/39/87/72/153398772.db2.gz DTBXDDGKPFAHOV-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1nc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268455331 154142630 /nfs/dbraw/zinc/14/26/30/154142630.db2.gz GSJCGHQFAMUTLV-CMPLNLGQSA-N 1 0 278.356 2.217 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)c2ccncc21 ZINC000302780479 154193970 /nfs/dbraw/zinc/19/39/70/154193970.db2.gz RICKUCYSVBMUQH-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO Cc1cc(NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000344080181 154269138 /nfs/dbraw/zinc/26/91/38/154269138.db2.gz BJFKEFRIEDGQBP-UHFFFAOYSA-N 1 0 257.293 2.375 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358916332 154815351 /nfs/dbraw/zinc/81/53/51/154815351.db2.gz SDKZTIVICVUNRF-SECBINFHSA-N 1 0 291.307 2.069 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367088512 156130203 /nfs/dbraw/zinc/13/02/03/156130203.db2.gz WWEKKESAKVRPNT-UHFFFAOYSA-N 1 0 276.336 2.392 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000368617290 156376421 /nfs/dbraw/zinc/37/64/21/156376421.db2.gz WQTKKJBIWVJZPY-CNDDSTCGSA-N 1 0 282.727 2.230 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375023678 157039122 /nfs/dbraw/zinc/03/91/22/157039122.db2.gz VHAZRUQMBBKQGH-XHDPSFHLSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000375428975 157092725 /nfs/dbraw/zinc/09/27/25/157092725.db2.gz ORNHQASJRJDOEE-IUODEOHRSA-N 1 0 292.335 2.131 20 5 CEBDRO CSCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376033048 157178720 /nfs/dbraw/zinc/17/87/20/157178720.db2.gz BEYBAULWAQIMQJ-UHFFFAOYSA-N 1 0 284.385 2.181 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000168714422 286925649 /nfs/dbraw/zinc/92/56/49/286925649.db2.gz ADBZLOFYVFEKAY-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000166830083 162353475 /nfs/dbraw/zinc/35/34/75/162353475.db2.gz WIXQYGQZSOLXSE-SECBINFHSA-N 1 0 253.277 2.288 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766408 165041656 /nfs/dbraw/zinc/04/16/56/165041656.db2.gz GVZBADKNIQCPCJ-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879504 165119413 /nfs/dbraw/zinc/11/94/13/165119413.db2.gz KUKDSSJJJUMUES-CYBMUJFWSA-N 1 0 266.345 2.303 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000261596261 165501588 /nfs/dbraw/zinc/50/15/88/165501588.db2.gz HGSCAEJUXSCNMR-NSHDSACASA-N 1 0 280.328 2.090 20 5 CEBDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035274159 172094017 /nfs/dbraw/zinc/09/40/17/172094017.db2.gz CFCXOQFGCPVWPX-CQSZACIVSA-N 1 0 286.335 2.496 20 5 CEBDRO C[C@H]([NH2+]CCCCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285151486 196208699 /nfs/dbraw/zinc/20/86/99/196208699.db2.gz MFUBJKFESOEKKE-NSHDSACASA-N 1 0 281.356 2.380 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285471922 196295560 /nfs/dbraw/zinc/29/55/60/196295560.db2.gz KOGNKYSBLSVCIA-GXSJLCMTSA-N 1 0 270.354 2.419 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285470067 196295200 /nfs/dbraw/zinc/29/52/00/196295200.db2.gz KLOCYKHIYLVFHP-AAEUAGOBSA-N 1 0 294.351 2.366 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060721 174071444 /nfs/dbraw/zinc/07/14/44/174071444.db2.gz YBYAZTCATBCVLI-HUUCEWRRSA-N 1 0 294.351 2.441 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000040593419 174347349 /nfs/dbraw/zinc/34/73/49/174347349.db2.gz GXWHWNCRJKJCOB-SNVBAGLBSA-N 1 0 269.370 2.088 20 5 CEBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000040601340 174351684 /nfs/dbraw/zinc/35/16/84/174351684.db2.gz YWUHCMGPZKEZLA-CYBMUJFWSA-N 1 0 293.367 2.035 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000040624151 174356184 /nfs/dbraw/zinc/35/61/84/174356184.db2.gz TWKSZMGIWCATCN-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO CN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040672719 174371242 /nfs/dbraw/zinc/37/12/42/174371242.db2.gz NJIILWZPYIOIIH-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277825 176107760 /nfs/dbraw/zinc/10/77/60/176107760.db2.gz VQIPJCUNTGVWRX-NOZJJQNGSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000076519763 177032104 /nfs/dbraw/zinc/03/21/04/177032104.db2.gz CFZZAFUBSHLXED-MRXNPFEDSA-N 1 0 286.331 2.288 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000356087893 228116058 /nfs/dbraw/zinc/11/60/58/228116058.db2.gz TXEGIOHLHCTODI-WDEREUQCSA-N 1 0 292.339 2.151 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCO)CC1 ZINC000400926580 260070557 /nfs/dbraw/zinc/07/05/57/260070557.db2.gz MHUPMQYNMMKNHE-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449210236 260295683 /nfs/dbraw/zinc/29/56/83/260295683.db2.gz GYCQRTICMMYDPP-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251099 260315602 /nfs/dbraw/zinc/31/56/02/260315602.db2.gz QTJDRDLRJGYZSS-ISDWUYEVSA-N 1 0 278.352 2.443 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000430551053 263259681 /nfs/dbraw/zinc/25/96/81/263259681.db2.gz PNYVUBXUIZCOHV-CYBMUJFWSA-N 1 0 251.330 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425357906 264132618 /nfs/dbraw/zinc/13/26/18/264132618.db2.gz YTIAKODWGWVOGK-AWEZNQCLSA-N 1 0 287.323 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000315027781 270333524 /nfs/dbraw/zinc/33/35/24/270333524.db2.gz XWPINHCSRRTRHI-JTNHKYCSSA-N 1 0 291.351 2.020 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000398393532 270357920 /nfs/dbraw/zinc/35/79/20/270357920.db2.gz YCAHOQHUMUHQTC-RISCZKNCSA-N 1 0 291.351 2.162 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236261 270880168 /nfs/dbraw/zinc/88/01/68/270880168.db2.gz NVLVRUZHVAIJRK-YPMHNXCESA-N 1 0 293.367 2.396 20 5 CEBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423453775 270913259 /nfs/dbraw/zinc/91/32/59/270913259.db2.gz KUXKAXSJCLBNKM-JTQLQIEISA-N 1 0 279.340 2.043 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424336977 271047800 /nfs/dbraw/zinc/04/78/00/271047800.db2.gz ZNCPPJHJWBVFNV-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000430205999 271363723 /nfs/dbraw/zinc/36/37/23/271363723.db2.gz VIHRWPMNNPQJDR-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO Cn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192721037 274892388 /nfs/dbraw/zinc/89/23/88/274892388.db2.gz PUGIUDIMMXKKFK-HNNXBMFYSA-N 1 0 286.335 2.496 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443133 274949612 /nfs/dbraw/zinc/94/96/12/274949612.db2.gz CFFNLEMAWIHVNS-IONNQARKSA-N 1 0 270.720 2.183 20 5 CEBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000285606535 276397909 /nfs/dbraw/zinc/39/79/09/276397909.db2.gz CEOCCWJPLGLUGA-NWDGAFQWSA-N 1 0 284.385 2.055 20 5 CEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205558 277254993 /nfs/dbraw/zinc/25/49/93/277254993.db2.gz SDWWDMXCOSANPE-XHDPSFHLSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](CN)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938605 279298454 /nfs/dbraw/zinc/29/84/54/279298454.db2.gz YZOYHZFTDLFZRD-BZPMIXESSA-N 1 0 277.368 2.243 20 5 CEBDRO Cc1c(CN(C)CC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000089898464 279703498 /nfs/dbraw/zinc/70/34/98/279703498.db2.gz MGJFIWZRFUZECM-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248444450 280347014 /nfs/dbraw/zinc/34/70/14/280347014.db2.gz GAJKOAWTXVOJFZ-NWDGAFQWSA-N 1 0 282.340 2.065 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC([NH+]2CCCC2)CC1 ZINC000048563944 280376356 /nfs/dbraw/zinc/37/63/56/280376356.db2.gz OOPWYTNSLCXHIS-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCC(O)CC1 ZINC000321746888 280600355 /nfs/dbraw/zinc/60/03/55/280600355.db2.gz LRBIYECUBRBKPA-UHFFFAOYSA-N 1 0 299.758 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070176743 280657944 /nfs/dbraw/zinc/65/79/44/280657944.db2.gz LYJASWWUDPORIK-YGRLFVJLSA-N 1 0 291.351 2.103 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396685735 280675513 /nfs/dbraw/zinc/67/55/13/280675513.db2.gz ZKZJJXOHDOZLCV-NSHDSACASA-N 1 0 280.324 2.261 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422946415 280975241 /nfs/dbraw/zinc/97/52/41/280975241.db2.gz ONHVAMVOKMQFCE-ZIAGYGMSSA-N 1 0 263.341 2.344 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415293104 281009215 /nfs/dbraw/zinc/00/92/15/281009215.db2.gz IFWUIOGNCSVTTP-VIFPVBQESA-N 1 0 280.328 2.023 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000272365450 281020483 /nfs/dbraw/zinc/02/04/83/281020483.db2.gz SWSJFDZZTQXCME-ZYHUDNBSSA-N 1 0 250.298 2.031 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000272365438 281021973 /nfs/dbraw/zinc/02/19/73/281021973.db2.gz SWSJFDZZTQXCME-CMPLNLGQSA-N 1 0 250.298 2.031 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530420 281063697 /nfs/dbraw/zinc/06/36/97/281063697.db2.gz WRLQNCDUZGHOJK-HUUCEWRRSA-N 1 0 293.367 2.014 20 5 CEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000163274236 281065858 /nfs/dbraw/zinc/06/58/58/281065858.db2.gz WDATVHINMXODTR-JSGCOSHPSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423726275 281083513 /nfs/dbraw/zinc/08/35/13/281083513.db2.gz POXHMWQCFDPOBE-WDEREUQCSA-N 1 0 291.351 2.069 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[NH+](C1CCC1)C1CCC1 ZINC000429120630 281225177 /nfs/dbraw/zinc/22/51/77/281225177.db2.gz BIKNXMGFJVLPOP-UHFFFAOYSA-N 1 0 264.329 2.235 20 5 CEBDRO Cc1cccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292398922 281229191 /nfs/dbraw/zinc/22/91/91/281229191.db2.gz USGPWVVQWVUSHP-OAHLLOKOSA-N 1 0 275.352 2.435 20 5 CEBDRO C[C@H](O)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000433181046 281374200 /nfs/dbraw/zinc/37/42/00/281374200.db2.gz IXEIGPASTVKTDQ-JECSTDCCSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccnc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301276679 281453065 /nfs/dbraw/zinc/45/30/65/281453065.db2.gz IZADLYDRDMZWFC-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826389 289068533 /nfs/dbraw/zinc/06/85/33/289068533.db2.gz NDOXSRCMAXNMSL-WDEREUQCSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1cc(NC(=O)N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000153779688 289121792 /nfs/dbraw/zinc/12/17/92/289121792.db2.gz LYOPDLWOIPKMLF-UHFFFAOYSA-N 1 0 294.355 2.319 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1ccnc1 ZINC000155690394 289180001 /nfs/dbraw/zinc/18/00/01/289180001.db2.gz ZRCNSDKQUGDCHS-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO Cn1cccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000157978543 289225961 /nfs/dbraw/zinc/22/59/61/289225961.db2.gz SZPSWKWWBVFLQD-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO Cn1cncc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000459458170 290154701 /nfs/dbraw/zinc/15/47/01/290154701.db2.gz GORYZBCVYJGTRN-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCSCC1 ZINC000459728432 290219120 /nfs/dbraw/zinc/21/91/20/290219120.db2.gz NULCRQVRIBYQKC-UHFFFAOYSA-N 1 0 296.392 2.251 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000338707830 295254169 /nfs/dbraw/zinc/25/41/69/295254169.db2.gz UBEXSUQNALISFY-HNNXBMFYSA-N 1 0 293.367 2.380 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000515246671 297568262 /nfs/dbraw/zinc/56/82/62/297568262.db2.gz QBDZEIRVWGDPSE-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300114 298102424 /nfs/dbraw/zinc/10/24/24/298102424.db2.gz AQMUABPQRKDMMX-RYUDHWBXSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@H]1C[C@H](C)[NH+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097260 298393609 /nfs/dbraw/zinc/39/36/09/298393609.db2.gz PGQBHSBFIOCLCV-QWRGUYRKSA-N 1 0 277.324 2.406 20 5 CEBDRO Cn1cncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175985529 312704732 /nfs/dbraw/zinc/70/47/32/312704732.db2.gz WZKJBKWKLXJGRA-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC(F)F ZINC000566867530 313873288 /nfs/dbraw/zinc/87/32/88/313873288.db2.gz ZVGLVNRIJFNTMF-LLVKDONJSA-N 1 0 286.278 2.453 20 5 CEBDRO Cc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000568499533 313961102 /nfs/dbraw/zinc/96/11/02/313961102.db2.gz NRTVDPMYBOYHTA-UHFFFAOYSA-N 1 0 275.352 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC=CCC2)c1 ZINC000570625965 314049650 /nfs/dbraw/zinc/04/96/50/314049650.db2.gz SFZLFTORRSQCHR-TZMCWYRMSA-N 1 0 292.335 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000576122164 314245577 /nfs/dbraw/zinc/24/55/77/314245577.db2.gz YJDATZPFSGVDMA-GWCFXTLKSA-N 1 0 298.346 2.452 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000577260227 314357431 /nfs/dbraw/zinc/35/74/31/314357431.db2.gz KQTWJJICLJAOSX-FRRDWIJNSA-N 1 0 296.371 2.026 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000577602032 314393999 /nfs/dbraw/zinc/39/39/99/314393999.db2.gz MQXAIXZDBWUKLX-MGCOHNPYSA-N 1 0 299.758 2.175 20 5 CEBDRO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579313526 314571411 /nfs/dbraw/zinc/57/14/11/314571411.db2.gz YQOMZLXKADIHOJ-FRRDWIJNSA-N 1 0 296.371 2.290 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCC1CC1 ZINC000580316229 322310451 /nfs/dbraw/zinc/31/04/51/322310451.db2.gz UOKICBRECLCLTK-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO CSC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583317360 322538455 /nfs/dbraw/zinc/53/84/55/322538455.db2.gz FTEWAVMUGOPBGG-JTQLQIEISA-N 1 0 297.380 2.265 20 5 CEBDRO Cn1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583775679 322567308 /nfs/dbraw/zinc/56/73/08/322567308.db2.gz YNZMIQYEEWFIJJ-UHFFFAOYSA-N 1 0 299.334 2.142 20 5 CEBDRO Cc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000414369987 534059163 /nfs/dbraw/zinc/05/91/63/534059163.db2.gz VQTPLMCSAHBEED-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO CCC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000289574513 520795365 /nfs/dbraw/zinc/79/53/65/520795365.db2.gz ACSVQZHPQDTGHL-ILXRZTDVSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054775482 520857415 /nfs/dbraw/zinc/85/74/15/520857415.db2.gz JPUFVBAGVIRBRW-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CC[C@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062894165 523541722 /nfs/dbraw/zinc/54/17/22/523541722.db2.gz ACSCRQZNFJONOY-ABAIWWIYSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050162432 524203009 /nfs/dbraw/zinc/20/30/09/524203009.db2.gz NKRGCPQWTMDLIY-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815968 525730308 /nfs/dbraw/zinc/73/03/08/525730308.db2.gz ZDNVLSCVHSIXAF-OLZOCXBDSA-N 1 0 291.351 2.037 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000181483918 526615083 /nfs/dbraw/zinc/61/50/83/526615083.db2.gz FTSAYNJGTVGLKZ-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000052926292 527386427 /nfs/dbraw/zinc/38/64/27/527386427.db2.gz ZYNIYWVUFOWANS-ZIAGYGMSSA-N 1 0 264.325 2.378 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000174650877 527975644 /nfs/dbraw/zinc/97/56/44/527975644.db2.gz RIZUXNIBFWTLMZ-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236930055 535033354 /nfs/dbraw/zinc/03/33/54/535033354.db2.gz IKNFFJGYNWREJQ-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263927452 535957509 /nfs/dbraw/zinc/95/75/09/535957509.db2.gz WDUUBNARYVTSRN-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313187069 536009189 /nfs/dbraw/zinc/00/91/89/536009189.db2.gz ZDDADNVCKWFSIZ-STQMWFEESA-N 1 0 270.304 2.373 20 5 CEBDRO COC(=O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295887799 536432473 /nfs/dbraw/zinc/43/24/73/536432473.db2.gz BGHGUMBJBDIKQE-SNVBAGLBSA-N 1 0 278.308 2.199 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000730088707 574500894 /nfs/dbraw/zinc/50/08/94/574500894.db2.gz MBJVFUYQNUCOFM-CYBMUJFWSA-N 1 0 280.324 2.224 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CC2)ccc1Cl ZINC000734164852 574704446 /nfs/dbraw/zinc/70/44/46/574704446.db2.gz QDDBAEUNJJSETB-NSHDSACASA-N 1 0 270.716 2.109 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000748820806 575198305 /nfs/dbraw/zinc/19/83/05/575198305.db2.gz VVEBXDUHXZSNQW-LLVKDONJSA-N 1 0 272.308 2.106 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751924275 575301174 /nfs/dbraw/zinc/30/11/74/575301174.db2.gz IYHPATFTEGIBFR-VIFPVBQESA-N 1 0 275.312 2.090 20 5 CEBDRO CC[S@@](=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134736499 622778314 /nfs/dbraw/zinc/77/83/14/622778314.db2.gz NOTTWWQRZZDHAI-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO C[C@@H](CCO)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000779410673 623476463 /nfs/dbraw/zinc/47/64/63/623476463.db2.gz BKMPEQKQBOVBBD-LBPRGKRZSA-N 1 0 266.341 2.278 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000891838698 624014008 /nfs/dbraw/zinc/01/40/08/624014008.db2.gz WUBWDDDIXRPMAL-NSHDSACASA-N 1 0 294.355 2.285 20 5 CEBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000092926582 624301506 /nfs/dbraw/zinc/30/15/06/624301506.db2.gz NHWZBTDSXGKLDB-KCJUWKMLSA-N 1 0 274.280 2.110 20 5 CEBDRO C[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000725779879 624776062 /nfs/dbraw/zinc/77/60/62/624776062.db2.gz TZNAXVPFFMSCBD-JTQLQIEISA-N 1 0 260.297 2.244 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000236244146 625912877 /nfs/dbraw/zinc/91/28/77/625912877.db2.gz CBHGPPPGSSSSFZ-CYBMUJFWSA-N 1 0 292.339 2.234 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000892572567 627282156 /nfs/dbraw/zinc/28/21/56/627282156.db2.gz ZNFFWLMDJKNISG-WPRPVWTQSA-N 1 0 266.297 2.055 20 5 CEBDRO COC(CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000852018250 627803392 /nfs/dbraw/zinc/80/33/92/627803392.db2.gz KOHVGQUHHQMPNZ-UHFFFAOYSA-N 1 0 282.340 2.078 20 5 CEBDRO CC(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019994444 627934628 /nfs/dbraw/zinc/93/46/28/627934628.db2.gz UBFPHXLEJCRDBO-XYPYZODXSA-N 1 0 297.380 2.049 20 5 CEBDRO Cc1[nH+]c2c(n1Cc1cccnc1[N+](=O)[O-])CCCC2 ZINC000902424573 634647274 /nfs/dbraw/zinc/64/72/74/634647274.db2.gz SPHVOXLMBQOKJV-UHFFFAOYSA-N 1 0 272.308 2.422 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000931046611 628345458 /nfs/dbraw/zinc/34/54/58/628345458.db2.gz JSJYEBYWRHSZKB-MWLCHTKSSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261596103 628943731 /nfs/dbraw/zinc/94/37/31/628943731.db2.gz AKULIEYPRWUOMZ-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000261617513 628949200 /nfs/dbraw/zinc/94/92/00/628949200.db2.gz BKOKCKXORITGAB-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO Cc1cccc(CCCNc2c([N+](=O)[O-])cnn2C)n1 ZINC000893809785 629003829 /nfs/dbraw/zinc/00/38/29/629003829.db2.gz APDBICZCTIIWHD-UHFFFAOYSA-N 1 0 275.312 2.076 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000893941905 629056361 /nfs/dbraw/zinc/05/63/61/629056361.db2.gz XIZUALKRKGEILF-MEDUHNTESA-N 1 0 298.346 2.283 20 5 CEBDRO C[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261837153 629267081 /nfs/dbraw/zinc/26/70/81/629267081.db2.gz WEFDAVLWQFAMFH-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000794949046 629367463 /nfs/dbraw/zinc/36/74/63/629367463.db2.gz NWRIKRLSOPZELR-HZMBPMFUSA-N 1 0 295.770 2.384 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000262023347 629448255 /nfs/dbraw/zinc/44/82/55/629448255.db2.gz WIDDGORGBGNHMY-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000894796882 629645135 /nfs/dbraw/zinc/64/51/35/629645135.db2.gz GNVBUPYGOQJMPG-HUUCEWRRSA-N 1 0 290.367 2.076 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cc1Cl ZINC000895192164 630021991 /nfs/dbraw/zinc/02/19/91/630021991.db2.gz YHHBAGWRWNXVSX-VHSXEESVSA-N 1 0 296.758 2.316 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000895739064 630319998 /nfs/dbraw/zinc/31/99/98/630319998.db2.gz ATSUXOREZZOFQR-WCBMZHEXSA-N 1 0 283.303 2.247 20 5 CEBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)C[NH+](C)C ZINC000896114710 630468475 /nfs/dbraw/zinc/46/84/75/630468475.db2.gz DDHKDMDDIYGGRJ-CYBMUJFWSA-N 1 0 281.356 2.282 20 5 CEBDRO CCO[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000896117780 630469321 /nfs/dbraw/zinc/46/93/21/630469321.db2.gz PNSQLTZUGVHUPI-JTQLQIEISA-N 1 0 285.319 2.113 20 5 CEBDRO CCO[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896117572 630469526 /nfs/dbraw/zinc/46/95/26/630469526.db2.gz JZHURSHZSNNALA-LLVKDONJSA-N 1 0 285.319 2.113 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C ZINC000896559740 630595005 /nfs/dbraw/zinc/59/50/05/630595005.db2.gz TXQSWQZJGOTTBL-SKDRFNHKSA-N 1 0 283.759 2.430 20 5 CEBDRO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000897248415 631015415 /nfs/dbraw/zinc/01/54/15/631015415.db2.gz PSPTZZUUJFDNKG-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1nc(N(C)CC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000897419271 631338186 /nfs/dbraw/zinc/33/81/86/631338186.db2.gz BLGXPWVEBWZPQU-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459140 631530176 /nfs/dbraw/zinc/53/01/76/631530176.db2.gz IMEOISNNMVHSNQ-WDEREUQCSA-N 1 0 280.324 2.240 20 5 CEBDRO C[C@@H](C[NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000897461310 631531194 /nfs/dbraw/zinc/53/11/94/631531194.db2.gz ZSWQABAECLABJR-RYUDHWBXSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@@H](C[NH2+][C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465778 631531793 /nfs/dbraw/zinc/53/17/93/631531793.db2.gz HZHWYIPUHWEIFN-QWRGUYRKSA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@@H](C[NH2+][C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000897465779 631532091 /nfs/dbraw/zinc/53/20/91/631532091.db2.gz HZHWYIPUHWEIFN-WDEREUQCSA-N 1 0 250.298 2.077 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897466436 631532903 /nfs/dbraw/zinc/53/29/03/631532903.db2.gz UMRVAARCJSIYGP-VXGBXAGGSA-N 1 0 264.325 2.467 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000925305348 631759814 /nfs/dbraw/zinc/75/98/14/631759814.db2.gz BWXJHDFOMRBWEA-PWSUYJOCSA-N 1 0 292.339 2.117 20 5 CEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC[NH3+])no1 ZINC000843130378 631774094 /nfs/dbraw/zinc/77/40/94/631774094.db2.gz IWDXBBSELUSIFP-QMMMGPOBSA-N 1 0 294.336 2.332 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1Cl ZINC000897849284 631944678 /nfs/dbraw/zinc/94/46/78/631944678.db2.gz VFALMNAWQRZSJV-BKDHPRRPSA-N 1 0 282.727 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898206596 632086538 /nfs/dbraw/zinc/08/65/38/632086538.db2.gz QULDUBLIHCNOBM-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000898379648 632187494 /nfs/dbraw/zinc/18/74/94/632187494.db2.gz HJVOUXIWHMFOLO-LSDHHAIUSA-N 1 0 276.336 2.152 20 5 CEBDRO C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064133 632378249 /nfs/dbraw/zinc/37/82/49/632378249.db2.gz YXVVRUGMVGHCHM-ONGXEEELSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927151667 632629426 /nfs/dbraw/zinc/62/94/26/632629426.db2.gz YMWICZQIUKRQRM-SRVKXCTJSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H](NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000899264738 632761791 /nfs/dbraw/zinc/76/17/91/632761791.db2.gz KILDCVOQUYBHST-JTQLQIEISA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561791 633031584 /nfs/dbraw/zinc/03/15/84/633031584.db2.gz PXXBTXDABCYYKF-ZUZCIYMTSA-N 1 0 292.383 2.168 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571803 633032166 /nfs/dbraw/zinc/03/21/66/633032166.db2.gz MQNADSURFFBILN-CMPLNLGQSA-N 1 0 281.356 2.235 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819313189 634135872 /nfs/dbraw/zinc/13/58/72/634135872.db2.gz ZQJXCCBAGNDYPH-ICCXJUOJSA-N 1 0 250.298 2.016 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819374455 634160443 /nfs/dbraw/zinc/16/04/43/634160443.db2.gz MQURJVRXXUYNGM-NWANDNLSSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056349 634948622 /nfs/dbraw/zinc/94/86/22/634948622.db2.gz SGFAHUXJCBHGGA-ONGXEEELSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175461 634999270 /nfs/dbraw/zinc/99/92/70/634999270.db2.gz SIVKRVMQHNHYDO-NEPJUHHUSA-N 1 0 295.383 2.452 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000903169736 635003725 /nfs/dbraw/zinc/00/37/25/635003725.db2.gz DIQXQOOVWZCUBR-WDEREUQCSA-N 1 0 281.356 2.204 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000903218178 635020816 /nfs/dbraw/zinc/02/08/16/635020816.db2.gz JRKCJDTWKRTUJK-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903288702 635051910 /nfs/dbraw/zinc/05/19/10/635051910.db2.gz LRZMBVRGMHMTQN-AACJMNEGSA-N 1 0 274.320 2.421 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288577 635052221 /nfs/dbraw/zinc/05/22/21/635052221.db2.gz ZDLGKADRVAYREL-RDBQEKCUSA-N 1 0 292.335 2.443 20 5 CEBDRO Cc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000823270939 635119999 /nfs/dbraw/zinc/11/99/99/635119999.db2.gz YMHYJZYCQBIIJG-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903822053 635290084 /nfs/dbraw/zinc/29/00/84/635290084.db2.gz VRJYYJXCALFGBO-GFCCVEGCSA-N 1 0 283.759 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@]12CC[NH2+]C2 ZINC000903865787 635300687 /nfs/dbraw/zinc/30/06/87/635300687.db2.gz RINDSGDYHGGQIK-CQSZACIVSA-N 1 0 279.315 2.062 20 5 CEBDRO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000903845245 635302393 /nfs/dbraw/zinc/30/23/93/635302393.db2.gz GBAZOKVYXWYFMK-AXFHLTTASA-N 1 0 279.315 2.046 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]([NH3+])CC(F)F ZINC000903918280 635366679 /nfs/dbraw/zinc/36/66/79/635366679.db2.gz WDYTXANZEDHQRQ-LLVKDONJSA-N 1 0 287.310 2.052 20 5 CEBDRO CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000903984450 635402962 /nfs/dbraw/zinc/40/29/62/635402962.db2.gz AUOOVLGMXDICBQ-DYLGSBMWSA-N 1 0 275.352 2.277 20 5 CEBDRO [NH2+]=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCS1 ZINC000905041062 635783365 /nfs/dbraw/zinc/78/33/65/635783365.db2.gz DVJIMHFDHNDKBJ-GFCCVEGCSA-N 1 0 294.380 2.104 20 5 CEBDRO CC[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000905066133 635809511 /nfs/dbraw/zinc/80/95/11/635809511.db2.gz NVBJICFFNXJSDF-LLVKDONJSA-N 1 0 292.257 2.388 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000905138272 635842451 /nfs/dbraw/zinc/84/24/51/635842451.db2.gz PPZRBFZKEXYSLA-UHFFFAOYSA-N 1 0 267.716 2.230 20 5 CEBDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]CC[N+](=O)[O-] ZINC000905398006 636256793 /nfs/dbraw/zinc/25/67/93/636256793.db2.gz FAGUMEGHNQMARA-CYBMUJFWSA-N 1 0 275.352 2.366 20 5 CEBDRO C[C@H](C[NH2+]CC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000905642710 636378593 /nfs/dbraw/zinc/37/85/93/636378593.db2.gz IBWPNWCGPTXSKO-LLVKDONJSA-N 1 0 264.325 2.203 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000827812624 636431597 /nfs/dbraw/zinc/43/15/97/636431597.db2.gz SAEYNSUOXXYUMR-JLIMDTESSA-N 1 0 298.726 2.289 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000876544501 650315812 /nfs/dbraw/zinc/31/58/12/650315812.db2.gz VIFMFDRXVBKHGJ-LBPRGKRZSA-N 1 0 293.367 2.459 20 5 CEBDRO Cc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000876546092 650317371 /nfs/dbraw/zinc/31/73/71/650317371.db2.gz YAPSQXZTFSIIHI-UHFFFAOYSA-N 1 0 289.335 2.374 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCCCCCCC2)c1 ZINC000831932967 637463122 /nfs/dbraw/zinc/46/31/22/637463122.db2.gz ORWYAPVTODZAQU-UHFFFAOYSA-N 1 0 266.345 2.448 20 5 CEBDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000876666936 650388544 /nfs/dbraw/zinc/38/85/44/650388544.db2.gz QIRHRXYGHCIGOI-PHIMTYICSA-N 1 0 289.335 2.001 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000876840563 650455972 /nfs/dbraw/zinc/45/59/72/650455972.db2.gz USFDYCPMNXQDSC-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876863287 650463740 /nfs/dbraw/zinc/46/37/40/650463740.db2.gz CUNUNIPXJUSKJR-LLVKDONJSA-N 1 0 287.319 2.215 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000876869426 650465382 /nfs/dbraw/zinc/46/53/82/650465382.db2.gz FRKYQSINENRINM-NEPJUHHUSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000221960414 639344236 /nfs/dbraw/zinc/34/42/36/639344236.db2.gz MHHJOCYURVIRNK-UONOGXRCSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000226045092 639519243 /nfs/dbraw/zinc/51/92/43/639519243.db2.gz PMLFMSRBXJFMBQ-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105835 639617781 /nfs/dbraw/zinc/61/77/81/639617781.db2.gz WDPCQEHZVDOJNS-BDAKNGLRSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000841032213 639623989 /nfs/dbraw/zinc/62/39/89/639623989.db2.gz ANFJQBBYRRVAFE-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000228560093 639644233 /nfs/dbraw/zinc/64/42/33/639644233.db2.gz PCPYWDZPNMNLQK-QMMMGPOBSA-N 1 0 292.270 2.251 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000063193823 639837568 /nfs/dbraw/zinc/83/75/68/639837568.db2.gz LTUVVCPLEUBFJW-ZWNOBZJWSA-N 1 0 292.339 2.328 20 5 CEBDRO C[NH+](C)C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000842046673 639930320 /nfs/dbraw/zinc/93/03/20/639930320.db2.gz CEAROOWKULQDQK-UHFFFAOYSA-N 1 0 280.284 2.009 20 5 CEBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925383784 640022676 /nfs/dbraw/zinc/02/26/76/640022676.db2.gz WXTOZYKJJSXLRE-VXGBXAGGSA-N 1 0 294.351 2.234 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843074670 640269477 /nfs/dbraw/zinc/26/94/77/640269477.db2.gz HPVKVSZPMMDMNH-WHOFXGATSA-N 1 0 296.367 2.015 20 5 CEBDRO Cc1cc(-c2noc(C[C@H]([NH3+])C3CC3)n2)cc([N+](=O)[O-])c1 ZINC000843240310 640366468 /nfs/dbraw/zinc/36/64/68/640366468.db2.gz UXADSOVZYDDHGN-LBPRGKRZSA-N 1 0 288.307 2.233 20 5 CEBDRO Cc1cc(-c2noc([C@]3(C)CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239936 640366723 /nfs/dbraw/zinc/36/67/23/640366723.db2.gz RDBYOVCLKHVLHS-CQSZACIVSA-N 1 0 288.307 2.204 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877104109 650574698 /nfs/dbraw/zinc/57/46/98/650574698.db2.gz BRZWOAGSILYRQA-JTQLQIEISA-N 1 0 279.340 2.137 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843361958 640404623 /nfs/dbraw/zinc/40/46/23/640404623.db2.gz WHEDAJSVKUERCV-CYBMUJFWSA-N 1 0 279.315 2.060 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000843365393 640405605 /nfs/dbraw/zinc/40/56/05/640405605.db2.gz HJKRIWZMMCTJKK-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000113711366 640439453 /nfs/dbraw/zinc/43/94/53/640439453.db2.gz ZPKSEXXAZDFHEL-AWEZNQCLSA-N 1 0 276.292 2.319 20 5 CEBDRO CCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000917028916 640839627 /nfs/dbraw/zinc/83/96/27/640839627.db2.gz XNNGICKXRLJRQO-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963735 641298376 /nfs/dbraw/zinc/29/83/76/641298376.db2.gz IPHWWFGMUGOZLT-WPRPVWTQSA-N 1 0 252.318 2.096 20 5 CEBDRO C[C@@H](CC(F)(F)F)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877383746 650695914 /nfs/dbraw/zinc/69/59/14/650695914.db2.gz RPZLSYJSKAUJTL-UEJVZZJDSA-N 1 0 292.261 2.425 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848754430 642129103 /nfs/dbraw/zinc/12/91/03/642129103.db2.gz SWZVUIXYRXPUGZ-PHIMTYICSA-N 1 0 264.329 2.050 20 5 CEBDRO CC(C)=CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877472308 650737873 /nfs/dbraw/zinc/73/78/73/650737873.db2.gz PGPXYGPUUVLSQK-UHFFFAOYSA-N 1 0 264.329 2.441 20 5 CEBDRO [NH3+]CCN(Cc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000877522282 650764776 /nfs/dbraw/zinc/76/47/76/650764776.db2.gz NVWCAYOBJVNSPR-UHFFFAOYSA-N 1 0 278.337 2.017 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)OC)cc1[N+](=O)[O-] ZINC000850479431 642725657 /nfs/dbraw/zinc/72/56/57/642725657.db2.gz SSVFOEZIYJTMLN-NSHDSACASA-N 1 0 297.355 2.137 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850545668 642747685 /nfs/dbraw/zinc/74/76/85/642747685.db2.gz QUWJOYNOEDQGKX-JQWIXIFHSA-N 1 0 293.367 2.236 20 5 CEBDRO CC(C)[NH2+]CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851629089 643098461 /nfs/dbraw/zinc/09/84/61/643098461.db2.gz VJQQWKNLEFYXPE-UHFFFAOYSA-N 1 0 299.758 2.205 20 5 CEBDRO CC(C)O[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000922610165 643160855 /nfs/dbraw/zinc/16/08/55/643160855.db2.gz PZZQADWQMSIPCG-HNNXBMFYSA-N 1 0 294.351 2.269 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000851907314 643219002 /nfs/dbraw/zinc/21/90/02/643219002.db2.gz SNDKSNZSAVJYLI-IAQYHMDHSA-N 1 0 287.319 2.374 20 5 CEBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C[C@@H]2O1 ZINC000922876112 643302949 /nfs/dbraw/zinc/30/29/49/643302949.db2.gz SIYHCBWTGPCYNT-RTCCRHLQSA-N 1 0 298.364 2.428 20 5 CEBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877641123 650830394 /nfs/dbraw/zinc/83/03/94/650830394.db2.gz MPPQANGUVZLLAQ-HAQNSBGRSA-N 1 0 292.335 2.253 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1Cl ZINC000877667366 650841590 /nfs/dbraw/zinc/84/15/90/650841590.db2.gz NZPBGNHKEXPKPI-AOOOYVTPSA-N 1 0 270.716 2.109 20 5 CEBDRO CCC[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853086929 643647273 /nfs/dbraw/zinc/64/72/73/643647273.db2.gz RWOBRKPGPVPFGB-UHFFFAOYSA-N 1 0 293.367 2.444 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000853824579 643911543 /nfs/dbraw/zinc/91/15/43/643911543.db2.gz KIBKSKHZNWCAFW-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO C[N@H+](CCC(=O)N1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000838787389 644023249 /nfs/dbraw/zinc/02/32/49/644023249.db2.gz NCUOKPHMAFCMAQ-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754517404 644384851 /nfs/dbraw/zinc/38/48/51/644384851.db2.gz CWWMIXGNBRRMOM-GFCCVEGCSA-N 1 0 278.308 2.026 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000754516525 644384864 /nfs/dbraw/zinc/38/48/64/644384864.db2.gz NXFCWFXABMPFJG-ZNMIVQPWSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000757910662 644856326 /nfs/dbraw/zinc/85/63/26/644856326.db2.gz PDZTWUBVGLGDIR-CHWSQXEVSA-N 1 0 291.351 2.037 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000859320077 645457434 /nfs/dbraw/zinc/45/74/34/645457434.db2.gz UVUOXYQXBVEEAY-NSHDSACASA-N 1 0 293.367 2.408 20 5 CEBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000763202566 645514630 /nfs/dbraw/zinc/51/46/30/645514630.db2.gz CYCSBXVMCRXQNB-LBPRGKRZSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859685538 645568130 /nfs/dbraw/zinc/56/81/30/645568130.db2.gz MLLUGOQBZXLPQA-JGVFFNPUSA-N 1 0 298.730 2.120 20 5 CEBDRO CCC(N)=[NH+]OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766069704 645844237 /nfs/dbraw/zinc/84/42/37/645844237.db2.gz OZUDWADGLLIAFW-UHFFFAOYSA-N 1 0 271.248 2.151 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000768101071 646083239 /nfs/dbraw/zinc/08/32/39/646083239.db2.gz HBJYOLJPKUDAAD-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO Cc1nc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000862366920 646416410 /nfs/dbraw/zinc/41/64/10/646416410.db2.gz OPXCNGULPLMZEH-UHFFFAOYSA-N 1 0 290.323 2.165 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000771458305 646521032 /nfs/dbraw/zinc/52/10/32/646521032.db2.gz GIVCECDYALEYKI-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000772048534 646589404 /nfs/dbraw/zinc/58/94/04/646589404.db2.gz PKQNNPTXQBFWIA-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)OCCO1 ZINC000773139798 646710030 /nfs/dbraw/zinc/71/00/30/646710030.db2.gz RMUODZYLYGLQDB-NSHDSACASA-N 1 0 280.324 2.317 20 5 CEBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863541067 646751241 /nfs/dbraw/zinc/75/12/41/646751241.db2.gz GRXZKAJQDJAKQG-YGRLFVJLSA-N 1 0 290.367 2.112 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863652204 646778114 /nfs/dbraw/zinc/77/81/14/646778114.db2.gz RBDINENCZZJKOI-GZMMTYOYSA-N 1 0 269.732 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)s1 ZINC000863669670 646785608 /nfs/dbraw/zinc/78/56/08/646785608.db2.gz ATGUSFQMCHULTC-IMTBSYHQSA-N 1 0 298.299 2.326 20 5 CEBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670670 646785996 /nfs/dbraw/zinc/78/59/96/646785996.db2.gz QMMFQDOMBBEVNO-LURJTMIESA-N 1 0 268.298 2.377 20 5 CEBDRO CCC(CC)NC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000864458381 647013333 /nfs/dbraw/zinc/01/33/33/647013333.db2.gz ZUMZNXKQINOGFV-UHFFFAOYSA-N 1 0 278.356 2.440 20 5 CEBDRO C[C@@H]1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000776277600 647045160 /nfs/dbraw/zinc/04/51/60/647045160.db2.gz OMIZBKZJOXVZPO-JTNHKYCSSA-N 1 0 296.392 2.454 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776578477 647073013 /nfs/dbraw/zinc/07/30/13/647073013.db2.gz GFPVSUYLVMIKGK-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776580449 647073861 /nfs/dbraw/zinc/07/38/61/647073861.db2.gz VVYNVMHEYAKRJI-ZDUSSCGKSA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776582781 647074703 /nfs/dbraw/zinc/07/47/03/647074703.db2.gz BYSOPZHPKWSKGH-COPLHBTASA-N 1 0 296.392 2.454 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590126 647075573 /nfs/dbraw/zinc/07/55/73/647075573.db2.gz YJVSGLOPCNSROA-MFKMUULPSA-N 1 0 250.298 2.113 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591397 647077088 /nfs/dbraw/zinc/07/70/88/647077088.db2.gz OWOIOOKUBUSNEI-AWEZNQCLSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000777445450 647137447 /nfs/dbraw/zinc/13/74/47/647137447.db2.gz MGONFYJZWRXZTH-WJNVRWDZSA-N 1 0 294.351 2.174 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865440078 647293544 /nfs/dbraw/zinc/29/35/44/647293544.db2.gz CBXGTBIZERHGDS-UHFFFAOYSA-N 1 0 299.346 2.368 20 5 CEBDRO Cc1nn(CN2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000779865160 647366632 /nfs/dbraw/zinc/36/66/32/647366632.db2.gz MXTDSWSHOGTKDW-NSHDSACASA-N 1 0 252.318 2.035 20 5 CEBDRO Cc1cnc(N[C@H]2CCCN(CCF)C2)c([N+](=O)[O-])c1 ZINC000865927530 647538752 /nfs/dbraw/zinc/53/87/52/647538752.db2.gz CTEWJOSZBZAUKW-NSHDSACASA-N 1 0 282.319 2.144 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866204417 647667065 /nfs/dbraw/zinc/66/70/65/647667065.db2.gz CNXFWTZHAJCDAS-ONGXEEELSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CO)CCC1 ZINC000866338740 647742672 /nfs/dbraw/zinc/74/26/72/647742672.db2.gz WWDMXSWFPHFGRW-LLVKDONJSA-N 1 0 296.342 2.417 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C1CCC1 ZINC000866385857 647767601 /nfs/dbraw/zinc/76/76/01/647767601.db2.gz RHUFPOQYXDNSDN-IINYFYTJSA-N 1 0 296.342 2.416 20 5 CEBDRO C/C(=C/C(=O)NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000784592313 647866279 /nfs/dbraw/zinc/86/62/79/647866279.db2.gz DOJDHEYKXNSSPB-QXMHVHEDSA-N 1 0 291.351 2.066 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000787418132 648106951 /nfs/dbraw/zinc/10/69/51/648106951.db2.gz LBSBSAICWQENFN-SINLSJITSA-N 1 0 288.347 2.312 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610806 648206997 /nfs/dbraw/zinc/20/69/97/648206997.db2.gz JLEUCGRGLQWGJA-VXGBXAGGSA-N 1 0 292.383 2.312 20 5 CEBDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788753421 648220216 /nfs/dbraw/zinc/22/02/16/648220216.db2.gz KMGKLXJAFCADTP-LLVKDONJSA-N 1 0 293.367 2.380 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789593529 648321068 /nfs/dbraw/zinc/32/10/68/648321068.db2.gz RLSCNSTXGDPZOL-VIFPVBQESA-N 1 0 299.758 2.205 20 5 CEBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+](C)C ZINC000792134991 648613465 /nfs/dbraw/zinc/61/34/65/648613465.db2.gz MPAPOJAKVHJFRN-QXMHVHEDSA-N 1 0 292.335 2.493 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000870572348 648837602 /nfs/dbraw/zinc/83/76/02/648837602.db2.gz LENNUCWCLZZJOC-CYBMUJFWSA-N 1 0 280.324 2.338 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869103 648938306 /nfs/dbraw/zinc/93/83/06/648938306.db2.gz AJBKWJOXOMSKCQ-NQBHXWOUSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000870961698 648963313 /nfs/dbraw/zinc/96/33/13/648963313.db2.gz DGBUFFGNQLNKSN-ZDUSSCGKSA-N 1 0 291.351 2.052 20 5 CEBDRO Cc1nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)ccc1[N+](=O)[O-] ZINC000871660538 649137636 /nfs/dbraw/zinc/13/76/36/649137636.db2.gz TYEGETUGMDZPLG-AWEZNQCLSA-N 1 0 298.346 2.425 20 5 CEBDRO C[C@H](N[C@@H]1CC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035569 649249201 /nfs/dbraw/zinc/24/92/01/649249201.db2.gz XDQJXYUNQXNQAJ-VHSXEESVSA-N 1 0 267.304 2.089 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041996 649252021 /nfs/dbraw/zinc/25/20/21/649252021.db2.gz YPKOXDUWZURMOL-VIFPVBQESA-N 1 0 268.288 2.157 20 5 CEBDRO CO[C@]1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000872062210 649258107 /nfs/dbraw/zinc/25/81/07/649258107.db2.gz LAKGDYZIEFSDHA-HZMBPMFUSA-N 1 0 298.314 2.190 20 5 CEBDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079998 649266192 /nfs/dbraw/zinc/26/61/92/649266192.db2.gz MCUPALFIYRMEAQ-SECBINFHSA-N 1 0 295.314 2.040 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000872217551 649319773 /nfs/dbraw/zinc/31/97/73/649319773.db2.gz ZQOJMPLLEUVXML-RISCZKNCSA-N 1 0 296.392 2.361 20 5 CEBDRO CC1(C)CO[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872243451 649326398 /nfs/dbraw/zinc/32/63/98/649326398.db2.gz PHYLOITYMVUZKJ-KBPBESRZSA-N 1 0 294.351 2.033 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH2+]C)CCCCC1 ZINC000872629226 649445495 /nfs/dbraw/zinc/44/54/95/649445495.db2.gz ASZXDDMGMOXAIY-UHFFFAOYSA-N 1 0 295.387 2.454 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780326 649487527 /nfs/dbraw/zinc/48/75/27/649487527.db2.gz XVBCKBPPDOVTAB-KBPBESRZSA-N 1 0 279.315 2.407 20 5 CEBDRO CCOCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873015351 649531617 /nfs/dbraw/zinc/53/16/17/649531617.db2.gz ZTUMFDBFAWYBNH-UHFFFAOYSA-N 1 0 252.314 2.338 20 5 CEBDRO CC[S@](=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873048557 649543467 /nfs/dbraw/zinc/54/34/67/649543467.db2.gz DNXHGUPEUIBRRV-IBGZPJMESA-N 1 0 284.381 2.070 20 5 CEBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873051763 649544439 /nfs/dbraw/zinc/54/44/39/649544439.db2.gz OMWRDUHWGQCHAX-HZMBPMFUSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000873074818 649552103 /nfs/dbraw/zinc/55/21/03/649552103.db2.gz RHMWZHLLXWOVGJ-BIBXISHDSA-N 1 0 298.408 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCOC1 ZINC000873094232 649557823 /nfs/dbraw/zinc/55/78/23/649557823.db2.gz DBEWMRJZLPFDHH-LLVKDONJSA-N 1 0 250.298 2.090 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@H](C)O ZINC000873115085 649560565 /nfs/dbraw/zinc/56/05/65/649560565.db2.gz BQGFCLCJDWWAFB-NSHDSACASA-N 1 0 266.341 2.462 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151528 649571216 /nfs/dbraw/zinc/57/12/16/649571216.db2.gz XPFNCALTFFAGOA-LDYMZIIASA-N 1 0 292.257 2.305 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c(F)c1 ZINC000873230747 649602165 /nfs/dbraw/zinc/60/21/65/649602165.db2.gz XQJKXJSXZLEBOZ-UONOGXRCSA-N 1 0 279.315 2.108 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCCC[NH+](C)C ZINC000873438193 649677666 /nfs/dbraw/zinc/67/76/66/649677666.db2.gz DSHBSQPPWBRQCK-UHFFFAOYSA-N 1 0 280.324 2.320 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000879684759 651339001 /nfs/dbraw/zinc/33/90/01/651339001.db2.gz NZRCTWHGHHTDOI-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](CC2CC2)CC1 ZINC000881825190 651893945 /nfs/dbraw/zinc/89/39/45/651893945.db2.gz CCHAWAOWFIFUGU-UHFFFAOYSA-N 1 0 294.330 2.415 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882681124 652178489 /nfs/dbraw/zinc/17/84/89/652178489.db2.gz LHNSHBLSAPOWBK-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] ZINC000883178521 652390805 /nfs/dbraw/zinc/39/08/05/652390805.db2.gz YMZAPFQPMNTGFQ-CQSZACIVSA-N 1 0 292.335 2.288 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH3+])c1C ZINC000884295966 652784129 /nfs/dbraw/zinc/78/41/29/652784129.db2.gz LKKJVDHTMBVGIN-SNVBAGLBSA-N 1 0 279.340 2.069 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000884372258 652821032 /nfs/dbraw/zinc/82/10/32/652821032.db2.gz JLMKZJLMWIMSQC-ZJUUUORDSA-N 1 0 279.340 2.067 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000134612096 652862533 /nfs/dbraw/zinc/86/25/33/652862533.db2.gz DPXXAJXWZMBMSY-SNVBAGLBSA-N 1 0 288.307 2.187 20 5 CEBDRO Cc1cc2c(ncnc2O[C@H](C)C[N+](C)(C)C)s1 ZINC001227055320 805846989 /nfs/dbraw/zinc/84/69/89/805846989.db2.gz IUTXXMJVOGVNNH-SECBINFHSA-N 1 0 266.390 2.473 20 5 CEBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cc(C[NH3+])cn1 ZINC001168258954 806449168 /nfs/dbraw/zinc/44/91/68/806449168.db2.gz GHIAWTUKTSAGDM-UHFFFAOYSA-N 1 0 296.714 2.210 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721879450 806474987 /nfs/dbraw/zinc/47/49/87/806474987.db2.gz OLTGCWGHYYMDIY-LBPRGKRZSA-N 1 0 264.325 2.188 20 5 CEBDRO CC/C(C)=C\C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126751519 806514977 /nfs/dbraw/zinc/51/49/77/806514977.db2.gz GLGSTTJCAAIEOB-POHAHGRESA-N 1 0 297.380 2.218 20 5 CEBDRO COC(=O)[C@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224620720 806869429 /nfs/dbraw/zinc/86/94/29/806869429.db2.gz AJDIIURHRXIOKA-CQSZACIVSA-N 1 0 284.351 2.153 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CSC2)cc1 ZINC000698004745 806899298 /nfs/dbraw/zinc/89/92/98/806899298.db2.gz DSVYXJNGQUYGIK-UHFFFAOYSA-N 1 0 252.339 2.090 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000693021079 802535140 /nfs/dbraw/zinc/53/51/40/802535140.db2.gz KRZHJJYMPISQPB-GFCCVEGCSA-N 1 0 299.758 2.351 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1csc([N+](=O)[O-])c1 ZINC000710796224 809993169 /nfs/dbraw/zinc/99/31/69/809993169.db2.gz DJRJCQMMKVJZLG-UHFFFAOYSA-N 1 0 285.369 2.247 20 5 CEBDRO CC(=O)NCCC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001267223178 803249604 /nfs/dbraw/zinc/24/96/04/803249604.db2.gz XTZHCHIGVZJZHU-UHFFFAOYSA-N 1 0 299.396 2.393 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001225613808 805026709 /nfs/dbraw/zinc/02/67/09/805026709.db2.gz UVWRWIVWYZEXTI-NSHDSACASA-N 1 0 266.297 2.076 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225681488 805138516 /nfs/dbraw/zinc/13/85/16/805138516.db2.gz AAESXCAAZSZPDJ-LLVKDONJSA-N 1 0 253.322 2.377 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC[NH3+] ZINC000698119365 806992034 /nfs/dbraw/zinc/99/20/34/806992034.db2.gz KFBDGUMCNUEQQY-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(c3cccnc3[N+](=O)[O-])C[C@H]2C1 ZINC001119982586 815182272 /nfs/dbraw/zinc/18/22/72/815182272.db2.gz LRNDHFWGUAFGJT-YNEHKIRRSA-N 1 0 290.367 2.156 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000094659362 808743150 /nfs/dbraw/zinc/74/31/50/808743150.db2.gz FHJCNEASLGSMST-ZDUSSCGKSA-N 1 0 261.325 2.409 20 5 CEBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001116770546 808876598 /nfs/dbraw/zinc/87/65/98/808876598.db2.gz GKUHKVWITHDBTJ-STQMWFEESA-N 1 0 292.335 2.335 20 5 CEBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700604789 809331214 /nfs/dbraw/zinc/33/12/14/809331214.db2.gz BNPBTGZECLZRPY-UHFFFAOYSA-N 1 0 285.731 2.058 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000701470991 809435347 /nfs/dbraw/zinc/43/53/47/809435347.db2.gz YRAQGDSGBLSKDP-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000702057651 809490492 /nfs/dbraw/zinc/49/04/92/809490492.db2.gz XSPAMRPZDYUFRX-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063968 809491565 /nfs/dbraw/zinc/49/15/65/809491565.db2.gz PJPVNPGLJQBGQA-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@]12C[NH2+]C[C@H]1CN(c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000703593975 809667513 /nfs/dbraw/zinc/66/75/13/809667513.db2.gz ASLFUBWKVMOLKV-TVQRCGJNSA-N 1 0 281.743 2.294 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000706543990 809834529 /nfs/dbraw/zinc/83/45/29/809834529.db2.gz NTAPVEMWGXBBKC-VHSXEESVSA-N 1 0 297.742 2.248 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000710967183 810008266 /nfs/dbraw/zinc/00/82/66/810008266.db2.gz MLFHLLHYMLJUBE-ZDUSSCGKSA-N 1 0 280.324 2.144 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969218 810008670 /nfs/dbraw/zinc/00/86/70/810008670.db2.gz WOATXAFJMQSKOR-GWCFXTLKSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001122167333 815389428 /nfs/dbraw/zinc/38/94/28/815389428.db2.gz UEEYSTNBAZEVRQ-SNVBAGLBSA-N 1 0 277.324 2.044 20 5 CEBDRO CC[C@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001122252337 815396256 /nfs/dbraw/zinc/39/62/56/815396256.db2.gz PIQDXXNWLWYIQI-ABAIWWIYSA-N 1 0 291.351 2.162 20 5 CEBDRO [NH3+]Cc1ccnn1-c1ccc2ccc3cccnc3c2n1 ZINC001155124088 810988548 /nfs/dbraw/zinc/98/85/48/810988548.db2.gz SGKRHSNDZVHWLZ-UHFFFAOYSA-N 1 0 275.315 2.427 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)C1 ZINC001168977476 811306786 /nfs/dbraw/zinc/30/67/86/811306786.db2.gz KCOPCQPTNMUIGO-VJQRDGCPSA-N 1 0 294.395 2.105 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC001168978418 811307012 /nfs/dbraw/zinc/30/70/12/811307012.db2.gz RXMDLICUQDRKKH-RAIGVLPGSA-N 1 0 261.325 2.104 20 5 CEBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168980621 811308686 /nfs/dbraw/zinc/30/86/86/811308686.db2.gz DZEXJRKGHZQWBZ-XUXIUFHCSA-N 1 0 298.383 2.143 20 5 CEBDRO Cc1ccnc(CCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168979478 811308769 /nfs/dbraw/zinc/30/87/69/811308769.db2.gz YKVMGRRZNYFEGN-HIFRSBDPSA-N 1 0 277.368 2.358 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(N)cc1 ZINC001168982841 811310061 /nfs/dbraw/zinc/31/00/61/811310061.db2.gz JCWINVJROXVWBL-GYSYKLTISA-N 1 0 263.341 2.365 20 5 CEBDRO CC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168984330 811310538 /nfs/dbraw/zinc/31/05/38/811310538.db2.gz MANOSVSZHNHOFB-UKRRQHHQSA-N 1 0 276.336 2.424 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001168958015 811313261 /nfs/dbraw/zinc/31/32/61/811313261.db2.gz KXALDWAFCXEPMQ-YPMHNXCESA-N 1 0 252.289 2.361 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001168959559 811313468 /nfs/dbraw/zinc/31/34/68/811313468.db2.gz WRGXDQMCZOADDJ-JQWIXIFHSA-N 1 0 252.289 2.361 20 5 CEBDRO COc1cccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168959193 811313931 /nfs/dbraw/zinc/31/39/31/811313931.db2.gz UNCNHGUTPQPJIG-ZIAGYGMSSA-N 1 0 278.352 2.273 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccn2)C1 ZINC001168962859 811316197 /nfs/dbraw/zinc/31/61/97/811316197.db2.gz NHGQSLIDRSKEBM-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO Cc1cccn2c(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cnc12 ZINC001168963928 811316958 /nfs/dbraw/zinc/31/69/58/811316958.db2.gz QQEKIDHAVVJMIC-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966483 811318124 /nfs/dbraw/zinc/31/81/24/811318124.db2.gz IMKBUXWQPNYMAN-WDMOLILDSA-N 1 0 289.335 2.023 20 5 CEBDRO CN(C)c1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967541 811319293 /nfs/dbraw/zinc/31/92/93/811319293.db2.gz QJWIJNBUMFXYOM-CABCVRRESA-N 1 0 291.395 2.330 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168967559 811319438 /nfs/dbraw/zinc/31/94/38/811319438.db2.gz QSCLRNQTLMYDAZ-WCBMZHEXSA-N 1 0 283.278 2.325 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC001168968532 811319982 /nfs/dbraw/zinc/31/99/82/811319982.db2.gz ZYHMPQSTVJYBPB-NWDGAFQWSA-N 1 0 254.355 2.326 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2Cl)C1 ZINC001168968821 811320509 /nfs/dbraw/zinc/32/05/09/811320509.db2.gz AMAQDPACUJAFTH-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO [NH3+]CCc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2cc[nH+]cc12 ZINC001168994637 811324873 /nfs/dbraw/zinc/32/48/73/811324873.db2.gz QTXSKAYBMKXIKY-WCQYABFASA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCOCC2)C1 ZINC001168997726 811326111 /nfs/dbraw/zinc/32/61/11/811326111.db2.gz FFJZDIQPCLUBOB-ZIAGYGMSSA-N 1 0 282.384 2.371 20 5 CEBDRO O=C(CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001169009078 811331558 /nfs/dbraw/zinc/33/15/58/811331558.db2.gz VBJQTIIUYILPJR-GXTWGEPZSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C1 ZINC001169013693 811336909 /nfs/dbraw/zinc/33/69/09/811336909.db2.gz VYONJHASPFTDHL-NNYUYHANSA-N 1 0 274.311 2.409 20 5 CEBDRO CCOC(=O)C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168989864 811340053 /nfs/dbraw/zinc/34/00/53/811340053.db2.gz XEZCZIJGVSFWBS-STQMWFEESA-N 1 0 298.383 2.287 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169029525 811344214 /nfs/dbraw/zinc/34/42/14/811344214.db2.gz VVXZNPPNLPRWPS-UHFFFAOYSA-N 1 0 266.688 2.201 20 5 CEBDRO Cc1nc2c(s1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033659 811346228 /nfs/dbraw/zinc/34/62/28/811346228.db2.gz CZLWFXSSDQGZNH-WDEREUQCSA-N 1 0 281.381 2.255 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037027 811346515 /nfs/dbraw/zinc/34/65/15/811346515.db2.gz HWAJQVUCTQSSOM-VHSXEESVSA-N 1 0 292.351 2.258 20 5 CEBDRO CCOC(=O)C1(C)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037573 811349071 /nfs/dbraw/zinc/34/90/71/811349071.db2.gz SQGMEEWLAWVLTC-OLZOCXBDSA-N 1 0 298.383 2.097 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001169040448 811350353 /nfs/dbraw/zinc/35/03/53/811350353.db2.gz ZWWHQUKDQMUKII-ILXRZTDVSA-N 1 0 282.384 2.180 20 5 CEBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018867 811352688 /nfs/dbraw/zinc/35/26/88/811352688.db2.gz CUTYZKWYONHNFE-YJNKXOJESA-N 1 0 282.384 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001169047920 811355863 /nfs/dbraw/zinc/35/58/63/811355863.db2.gz SNQHVMXQKLZINT-ZIAGYGMSSA-N 1 0 282.384 2.324 20 5 CEBDRO Cc1cnc2c(c1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048872 811356704 /nfs/dbraw/zinc/35/67/04/811356704.db2.gz VOFZMUNKLSWYRX-GXTWGEPZSA-N 1 0 275.352 2.194 20 5 CEBDRO CCOc1cc(-n2ccc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC001169235748 811455593 /nfs/dbraw/zinc/45/55/93/811455593.db2.gz ZMCDDGBOWHNBJG-SECBINFHSA-N 1 0 276.296 2.199 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccc(C[NH3+])c1 ZINC001169726356 811628604 /nfs/dbraw/zinc/62/86/04/811628604.db2.gz UJRRYXXTLWZQLO-UHFFFAOYSA-N 1 0 261.281 2.161 20 5 CEBDRO Cc1cc(Cl)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156580518 811822888 /nfs/dbraw/zinc/82/28/88/811822888.db2.gz MRMZZXNEABSWRA-QMMMGPOBSA-N 1 0 270.720 2.068 20 5 CEBDRO CN(c1ncc(F)c2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH3+] ZINC001170052290 812007232 /nfs/dbraw/zinc/00/72/32/812007232.db2.gz CTGXYMBBBYVXLT-UHFFFAOYSA-N 1 0 292.314 2.456 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC001170305652 812380188 /nfs/dbraw/zinc/38/01/88/812380188.db2.gz ONKSWSZLDNYOTK-QWRGUYRKSA-N 1 0 282.340 2.159 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170306715 812390102 /nfs/dbraw/zinc/39/01/02/812390102.db2.gz AOHBSLYBBZYLJY-LLVKDONJSA-N 1 0 296.367 2.285 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CC(=O)C2)c([N+](=O)[O-])c1 ZINC001170308105 812392102 /nfs/dbraw/zinc/39/21/02/812392102.db2.gz KEFWEAJJXFTURW-SNVBAGLBSA-N 1 0 292.335 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)nc1Cl ZINC001157739314 812419436 /nfs/dbraw/zinc/41/94/36/812419436.db2.gz CBMODPUTQJBCSY-IUCAKERBSA-N 1 0 284.747 2.268 20 5 CEBDRO NC(=[NH2+])c1nccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901890 815539559 /nfs/dbraw/zinc/53/95/59/815539559.db2.gz RACODOVDFPZRCA-LBPRGKRZSA-N 1 0 299.334 2.195 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899724 815539650 /nfs/dbraw/zinc/53/96/50/815539650.db2.gz OYIZEZMARUBZFF-ZFWWWQNUSA-N 1 0 278.352 2.203 20 5 CEBDRO CCC(CC)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123821679 815561832 /nfs/dbraw/zinc/56/18/32/815561832.db2.gz WAJBGQHNUDSMJO-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CCC(CC)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123821759 815562069 /nfs/dbraw/zinc/56/20/69/815562069.db2.gz YYMVBXLPTJCDDI-UHFFFAOYSA-N 1 0 299.396 2.298 20 5 CEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])n1 ZINC001159054160 813204333 /nfs/dbraw/zinc/20/43/33/813204333.db2.gz GDAXYYCNTJTERM-UHFFFAOYSA-N 1 0 272.736 2.125 20 5 CEBDRO C[C@@H]([NH3+])CCNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001170889681 813618728 /nfs/dbraw/zinc/61/87/28/813618728.db2.gz UMGLLPXEUIECQO-SSDOTTSWSA-N 1 0 295.730 2.341 20 5 CEBDRO C[C@@H]([NH3+])CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159774675 813655980 /nfs/dbraw/zinc/65/59/80/813655980.db2.gz KFEOSGLZCLKBRP-SSDOTTSWSA-N 1 0 295.730 2.341 20 5 CEBDRO COCCCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000234778921 814489263 /nfs/dbraw/zinc/48/92/63/814489263.db2.gz ODWSRPCBOLHIAW-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712605242 814756099 /nfs/dbraw/zinc/75/60/99/814756099.db2.gz LNEAQWZTLGCTKV-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000712548462 814765632 /nfs/dbraw/zinc/76/56/32/814765632.db2.gz MTWPQIRXKLCAOR-SECBINFHSA-N 1 0 283.303 2.249 20 5 CEBDRO Cc1ccc(CN(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000714068618 814885769 /nfs/dbraw/zinc/88/57/69/814885769.db2.gz VDEDIVBBIBDOHS-CQSZACIVSA-N 1 0 263.341 2.072 20 5 CEBDRO CC[NH+](CC)C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC001116938201 814893410 /nfs/dbraw/zinc/89/34/10/814893410.db2.gz JCMZSKUFKXXWPK-UHFFFAOYSA-N 1 0 292.383 2.488 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001117312601 814914052 /nfs/dbraw/zinc/91/40/52/814914052.db2.gz WTDIGPNLZAVJSY-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC1 ZINC001173214836 815623875 /nfs/dbraw/zinc/62/38/75/815623875.db2.gz QTJMZCJQUKCEST-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO CC(C)N1CC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173218499 815624987 /nfs/dbraw/zinc/62/49/87/815624987.db2.gz PPFHCOFGJNBZCX-GFCCVEGCSA-N 1 0 277.368 2.208 20 5 CEBDRO COC(=O)CCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220612 815625896 /nfs/dbraw/zinc/62/58/96/815625896.db2.gz GEJRBJDPRYNARR-LBPRGKRZSA-N 1 0 294.351 2.459 20 5 CEBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222222 815628215 /nfs/dbraw/zinc/62/82/15/815628215.db2.gz QSBRGDUKIWDORJ-WCQYABFASA-N 1 0 292.335 2.021 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C2CC2)CC1 ZINC001173229370 815631522 /nfs/dbraw/zinc/63/15/22/815631522.db2.gz TVVHKPRHASZTBQ-ZDUSSCGKSA-N 1 0 289.379 2.306 20 5 CEBDRO Cc1nccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233020 815632912 /nfs/dbraw/zinc/63/29/12/815632912.db2.gz GQXAQFGIEZHTGC-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234957 815634488 /nfs/dbraw/zinc/63/44/88/815634488.db2.gz RHZOASRQNSKJSK-MNOVXSKESA-N 1 0 252.314 2.150 20 5 CEBDRO Cc1nc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173211917 815635443 /nfs/dbraw/zinc/63/54/43/815635443.db2.gz VKKBRALTIFWUOA-JTQLQIEISA-N 1 0 290.323 2.050 20 5 CEBDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236982 815648434 /nfs/dbraw/zinc/64/84/34/815648434.db2.gz GQNIVIPSHRSBDU-KCXAZCMYSA-N 1 0 289.379 2.304 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1C[NH+]2CCC1CC2 ZINC000148458305 816351045 /nfs/dbraw/zinc/35/10/45/816351045.db2.gz LOZOAEKWVGWNOR-JTQLQIEISA-N 1 0 282.731 2.149 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000449063173 282085538 /nfs/dbraw/zinc/08/55/38/282085538.db2.gz LMHLHBHGZMSKLM-WCQYABFASA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000449080630 282092231 /nfs/dbraw/zinc/09/22/31/282092231.db2.gz XVKGYBJPRDZGBN-NWDGAFQWSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)(F)F ZINC000449092960 282097322 /nfs/dbraw/zinc/09/73/22/282097322.db2.gz NJLIAWUJKRRHGD-KCJUWKMLSA-N 1 0 292.257 2.039 20 5 CEBDRO CC(C)OC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337490416 214117398 /nfs/dbraw/zinc/11/73/98/214117398.db2.gz DPZUSNKZQFLHTC-JTQLQIEISA-N 1 0 292.339 2.374 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC2(C)C)c([N+](=O)[O-])cc1O ZINC000337714130 214229730 /nfs/dbraw/zinc/22/97/30/214229730.db2.gz PUCIBAXFCRRAQS-LBPRGKRZSA-N 1 0 266.297 2.197 20 5 CEBDRO C[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000096832934 185115401 /nfs/dbraw/zinc/11/54/01/185115401.db2.gz ZPVYZHOGKFFYJF-QMMMGPOBSA-N 1 0 258.705 2.109 20 5 CEBDRO Cc1nn(C)c(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000036749231 361852942 /nfs/dbraw/zinc/85/29/42/361852942.db2.gz KCZVMKADHRZEGE-UHFFFAOYSA-N 1 0 283.376 2.167 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000449209390 282142929 /nfs/dbraw/zinc/14/29/29/282142929.db2.gz QLIWXIAZYJXNFI-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738350 361925354 /nfs/dbraw/zinc/92/53/54/361925354.db2.gz PMARLHZKPRKDBT-WDEREUQCSA-N 1 0 250.298 2.282 20 5 CEBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000080250727 344004490 /nfs/dbraw/zinc/00/44/90/344004490.db2.gz RGGQTEDWZCOCMQ-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO CC[C@H]([NH3+])CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415578745 529451060 /nfs/dbraw/zinc/45/10/60/529451060.db2.gz JCBXZHGRVHCSLZ-JTQLQIEISA-N 1 0 280.328 2.070 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000449284188 282171547 /nfs/dbraw/zinc/17/15/47/282171547.db2.gz OIFZFKHXJPOQRR-GXSJLCMTSA-N 1 0 288.294 2.132 20 5 CEBDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000126083083 187216349 /nfs/dbraw/zinc/21/63/49/187216349.db2.gz TWIBXIBHCQADTC-UHFFFAOYSA-N 1 0 292.335 2.242 20 5 CEBDRO CC[C@H]([NH2+]CC(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181562208 529585910 /nfs/dbraw/zinc/58/59/10/529585910.db2.gz CFQCTOZEFUGYHH-ZDUSSCGKSA-N 1 0 279.340 2.114 20 5 CEBDRO CC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000126281245 187229297 /nfs/dbraw/zinc/22/92/97/187229297.db2.gz SKOLKGOPNWOOLM-UHFFFAOYSA-N 1 0 254.286 2.064 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCO2)cs1 ZINC000042817430 362121953 /nfs/dbraw/zinc/12/19/53/362121953.db2.gz OSTQZTGZVSOOBP-SNVBAGLBSA-N 1 0 256.327 2.315 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CF)CCOCC2)c1 ZINC000449447455 282241153 /nfs/dbraw/zinc/24/11/53/282241153.db2.gz ZXRWNGRHTYTRSN-UHFFFAOYSA-N 1 0 268.288 2.203 20 5 CEBDRO CCOC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045686579 362165355 /nfs/dbraw/zinc/16/53/55/362165355.db2.gz MRVBCIQAMSPRQD-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO CCOc1ccc(NC(=O)C[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000046438260 362182396 /nfs/dbraw/zinc/18/23/96/362182396.db2.gz LIXVRZRPPBWWSO-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449495257 282257643 /nfs/dbraw/zinc/25/76/43/282257643.db2.gz HQYCIUIRUUPMET-FZMZJTMJSA-N 1 0 264.325 2.452 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041911586 343444272 /nfs/dbraw/zinc/44/42/72/343444272.db2.gz ULQLRQWFVKXNAH-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046880057 343505996 /nfs/dbraw/zinc/50/59/96/343505996.db2.gz ZKJBXYSRWVELJQ-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047142664 343511994 /nfs/dbraw/zinc/51/19/94/343511994.db2.gz IVUDCOIWTKFXMR-LBPRGKRZSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000046408819 343499121 /nfs/dbraw/zinc/49/91/21/343499121.db2.gz GWXFLKQQUDIBNT-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054775492 343593553 /nfs/dbraw/zinc/59/35/53/343593553.db2.gz BDZWETDYDVQYQB-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295049942 199319646 /nfs/dbraw/zinc/31/96/46/199319646.db2.gz NISXYGLPJXGGSK-MNOVXSKESA-N 1 0 274.267 2.089 20 5 CEBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069912160 343792312 /nfs/dbraw/zinc/79/23/12/343792312.db2.gz MXLMBTXIHBNITA-HNNXBMFYSA-N 1 0 296.367 2.205 20 5 CEBDRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000602133018 346980647 /nfs/dbraw/zinc/98/06/47/346980647.db2.gz NJKXTYNHFKNDIU-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])nc1 ZINC000078455972 343953594 /nfs/dbraw/zinc/95/35/94/343953594.db2.gz SIWXDNSCDUCPDS-GFCCVEGCSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078559642 343956631 /nfs/dbraw/zinc/95/66/31/343956631.db2.gz WTIRRNRCNZQJTD-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000048555625 362284076 /nfs/dbraw/zinc/28/40/76/362284076.db2.gz RCMJAUNPPNKFDK-LLVKDONJSA-N 1 0 283.376 2.025 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000049096073 362339177 /nfs/dbraw/zinc/33/91/77/362339177.db2.gz JJWHWWWLIFFTHD-GWCFXTLKSA-N 1 0 279.340 2.160 20 5 CEBDRO COc1cc(NC[C@H](C2CC2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000091481831 344165009 /nfs/dbraw/zinc/16/50/09/344165009.db2.gz QVLMBFAZGLMPGM-CYBMUJFWSA-N 1 0 297.330 2.495 20 5 CEBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438854 347033098 /nfs/dbraw/zinc/03/30/98/347033098.db2.gz BNQLWCANKALZIV-CMPLNLGQSA-N 1 0 266.345 2.339 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000092658491 344198860 /nfs/dbraw/zinc/19/88/60/344198860.db2.gz PWNVOLFZUOAJLQ-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449710702 282337185 /nfs/dbraw/zinc/33/71/85/282337185.db2.gz MZBJDVMWUYMEHM-MRVWCRGKSA-N 1 0 278.352 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CO ZINC000151740631 344423027 /nfs/dbraw/zinc/42/30/27/344423027.db2.gz UHKFUFBMZZEDLH-GXSJLCMTSA-N 1 0 252.314 2.182 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000157012013 344444779 /nfs/dbraw/zinc/44/47/79/344444779.db2.gz NFWLFFYQWDWEBE-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO Cn1cc(C[N@H+](C)CCc2cccs2)c([N+](=O)[O-])n1 ZINC000602478542 347052037 /nfs/dbraw/zinc/05/20/37/347052037.db2.gz ZEOFPMUAYHOOEX-UHFFFAOYSA-N 1 0 280.353 2.064 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161023565 344463104 /nfs/dbraw/zinc/46/31/04/344463104.db2.gz BYMYRSYIQUROOA-CHWSQXEVSA-N 1 0 291.351 2.157 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161460310 344464017 /nfs/dbraw/zinc/46/40/17/344464017.db2.gz RDXKUKRXXDNHEO-QWRGUYRKSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000162780910 344468756 /nfs/dbraw/zinc/46/87/56/344468756.db2.gz CJQGZRJGKXKGDI-CHWSQXEVSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050162400 362405015 /nfs/dbraw/zinc/40/50/15/362405015.db2.gz BVRWGEDDGHABHI-AAEUAGOBSA-N 1 0 291.351 2.021 20 5 CEBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481536 347054131 /nfs/dbraw/zinc/05/41/31/347054131.db2.gz FXNINLXYKIGLMZ-SNVBAGLBSA-N 1 0 286.401 2.292 20 5 CEBDRO C[C@H](CO)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000228363512 344560286 /nfs/dbraw/zinc/56/02/86/344560286.db2.gz AZAMYZLGLZZBNU-LBPRGKRZSA-N 1 0 266.341 2.136 20 5 CEBDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc([N+](=O)[O-])c1 ZINC000228560567 344561137 /nfs/dbraw/zinc/56/11/37/344561137.db2.gz IHAYGRJDKLNMJE-LLVKDONJSA-N 1 0 274.280 2.378 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000050162421 362407054 /nfs/dbraw/zinc/40/70/54/362407054.db2.gz YCAJRYQJUWKQIU-YPMHNXCESA-N 1 0 291.351 2.021 20 5 CEBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229955871 344569523 /nfs/dbraw/zinc/56/95/23/344569523.db2.gz WALGWZDXKQQNJT-LLVKDONJSA-N 1 0 275.312 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCC2CC2)cc1 ZINC000236417960 344595500 /nfs/dbraw/zinc/59/55/00/344595500.db2.gz WDTNKUBGCRLFPK-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO CC[N@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000051634374 362432888 /nfs/dbraw/zinc/43/28/88/362432888.db2.gz LLGSSSBAKDTOOR-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000050269488 362412340 /nfs/dbraw/zinc/41/23/40/362412340.db2.gz YNTIPSODPWUDPK-CQSZACIVSA-N 1 0 262.309 2.420 20 5 CEBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000053152859 362483658 /nfs/dbraw/zinc/48/36/58/362483658.db2.gz POEPWFIWMATZIO-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875135 344637873 /nfs/dbraw/zinc/63/78/73/344637873.db2.gz UTHNSRCAHJMWHV-BXUZGUMPSA-N 1 0 293.367 2.163 20 5 CEBDRO CC[NH+](CC)CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401158451 344866677 /nfs/dbraw/zinc/86/66/77/344866677.db2.gz JTBWKVSTFMYTRV-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404360346 344879968 /nfs/dbraw/zinc/87/99/68/344879968.db2.gz DXVZSVWCLXGEMM-DGCLKSJQSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000404398743 344880377 /nfs/dbraw/zinc/88/03/77/344880377.db2.gz PZBNVRGNEJLCKR-BXUZGUMPSA-N 1 0 291.351 2.184 20 5 CEBDRO Cc1sc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602577673 347085630 /nfs/dbraw/zinc/08/56/30/347085630.db2.gz IPESCDWLWPKXJR-JTQLQIEISA-N 1 0 297.380 2.308 20 5 CEBDRO CSC[C@H](O)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000584585970 344959928 /nfs/dbraw/zinc/95/99/28/344959928.db2.gz FVFKRKCNYCBEMC-CQSZACIVSA-N 1 0 298.408 2.231 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000127351578 187298253 /nfs/dbraw/zinc/29/82/53/187298253.db2.gz DIKFHYZIAGSPHB-NSHDSACASA-N 1 0 297.380 2.294 20 5 CEBDRO CCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054110055 362512257 /nfs/dbraw/zinc/51/22/57/362512257.db2.gz QVVHHIMCKPEJIC-LLVKDONJSA-N 1 0 251.330 2.197 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590403360 345134010 /nfs/dbraw/zinc/13/40/10/345134010.db2.gz QOGYMTRESLSRJE-YPMHNXCESA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590404171 345134043 /nfs/dbraw/zinc/13/40/43/345134043.db2.gz VVMBGESAOIFYTM-BXUZGUMPSA-N 1 0 291.351 2.068 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000591179096 345228768 /nfs/dbraw/zinc/22/87/68/345228768.db2.gz DYYFMSHQEZTEGS-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591271659 345236923 /nfs/dbraw/zinc/23/69/23/345236923.db2.gz HJHYRMROWCJIJT-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1c(NC(=O)NC[C@@H]2CCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000591272465 345236929 /nfs/dbraw/zinc/23/69/29/345236929.db2.gz PGLRVBGLCUFFSB-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000591282603 345237578 /nfs/dbraw/zinc/23/75/78/345237578.db2.gz CJFPCHAJPZGLOD-NSHDSACASA-N 1 0 281.381 2.421 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH2+]C1CC1 ZINC000591301601 345237891 /nfs/dbraw/zinc/23/78/91/345237891.db2.gz HGDGSCWPYDFCPY-UHFFFAOYSA-N 1 0 292.339 2.085 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439437 345254723 /nfs/dbraw/zinc/25/47/23/345254723.db2.gz VBFSLHWMOIDNMO-MWLCHTKSSA-N 1 0 281.743 2.436 20 5 CEBDRO Cc1ccc([C@H](C)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591577213 345265230 /nfs/dbraw/zinc/26/52/30/345265230.db2.gz BIPMHNTXWRXNCU-NSHDSACASA-N 1 0 263.341 2.306 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC13CC3)OCCO2 ZINC000591640363 345271654 /nfs/dbraw/zinc/27/16/54/345271654.db2.gz BVBXIPYFYJGVTK-CYBMUJFWSA-N 1 0 276.292 2.008 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])s1 ZINC000591823888 345285404 /nfs/dbraw/zinc/28/54/04/345285404.db2.gz BPJGAGKNARKOPN-UHFFFAOYSA-N 1 0 257.359 2.434 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000127398922 187302066 /nfs/dbraw/zinc/30/20/66/187302066.db2.gz FYXNBJBDLFTRBP-CQSZACIVSA-N 1 0 297.330 2.227 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427592 345352284 /nfs/dbraw/zinc/35/22/84/345352284.db2.gz GDUCPXVORYVYTI-SWLSCSKDSA-N 1 0 277.368 2.462 20 5 CEBDRO COc1ccc(C[NH2+]CCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593692789 345522170 /nfs/dbraw/zinc/52/21/70/345522170.db2.gz FDVKRLGVPCWREI-UHFFFAOYSA-N 1 0 294.351 2.246 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593733299 345529765 /nfs/dbraw/zinc/52/97/65/345529765.db2.gz LENPBAYCYYOGAB-FZMZJTMJSA-N 1 0 293.367 2.250 20 5 CEBDRO Cc1cc(N(C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122239257 232205451 /nfs/dbraw/zinc/20/54/51/232205451.db2.gz GEGZTCROWFUBOJ-SNVBAGLBSA-N 1 0 275.308 2.268 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000593918669 345552397 /nfs/dbraw/zinc/55/23/97/345552397.db2.gz IFWJQHQACXISMI-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000594495721 345638148 /nfs/dbraw/zinc/63/81/48/345638148.db2.gz URQFIQARTQUOMJ-CQSZACIVSA-N 1 0 286.335 2.459 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510188 345641021 /nfs/dbraw/zinc/64/10/21/345641021.db2.gz ARTSBJBSLKTUIV-BXKDBHETSA-N 1 0 264.325 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000595105022 345742695 /nfs/dbraw/zinc/74/26/95/345742695.db2.gz VEEBTLSMVKZBQF-NHCYSSNCSA-N 1 0 250.298 2.077 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595229883 345746468 /nfs/dbraw/zinc/74/64/68/345746468.db2.gz HBAMJZRAUQBNCK-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000595232904 345746507 /nfs/dbraw/zinc/74/65/07/345746507.db2.gz DMKPEMXRSBOMMP-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595288269 345754601 /nfs/dbraw/zinc/75/46/01/345754601.db2.gz MRDPXSQBBKJWKM-DZGCQCFKSA-N 1 0 294.351 2.078 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000594928149 345705594 /nfs/dbraw/zinc/70/55/94/345705594.db2.gz DQVFYBXAKHAUCY-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594981875 345721441 /nfs/dbraw/zinc/72/14/41/345721441.db2.gz BLLZWDUAGGVJNA-AWEZNQCLSA-N 1 0 278.352 2.401 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000594987454 345722017 /nfs/dbraw/zinc/72/20/17/345722017.db2.gz KMQLWZHEADCTRM-UONOGXRCSA-N 1 0 276.336 2.296 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)CC2CC2)cs1 ZINC000594985025 345722051 /nfs/dbraw/zinc/72/20/51/345722051.db2.gz YOLQBSVWDLZDHC-SNVBAGLBSA-N 1 0 270.354 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(F)c1 ZINC000594988010 345722681 /nfs/dbraw/zinc/72/26/81/345722681.db2.gz NOSUUQOSTKUYOL-OLZOCXBDSA-N 1 0 280.299 2.127 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000594999851 345724205 /nfs/dbraw/zinc/72/42/05/345724205.db2.gz WSJIUOSUKFCSBA-HAQNSBGRSA-N 1 0 264.325 2.331 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006612 345725491 /nfs/dbraw/zinc/72/54/91/345725491.db2.gz MBUYIVSXOAMMBT-ZJUUUORDSA-N 1 0 268.313 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCC1 ZINC000595019562 345728013 /nfs/dbraw/zinc/72/80/13/345728013.db2.gz RGSRPWQHQOHSKA-JTQLQIEISA-N 1 0 280.324 2.169 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595539947 345806259 /nfs/dbraw/zinc/80/62/59/345806259.db2.gz FJCDIGPNRXQLNF-CMPLNLGQSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000595319277 345761764 /nfs/dbraw/zinc/76/17/64/345761764.db2.gz PIZQCJSYPMGLNQ-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO COC[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC000595350462 345767030 /nfs/dbraw/zinc/76/70/30/345767030.db2.gz ATMLAECNEHXJSK-HNNXBMFYSA-N 1 0 294.351 2.221 20 5 CEBDRO CC[C@@H](C)[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595592634 345820808 /nfs/dbraw/zinc/82/08/08/345820808.db2.gz HLFCYIPNSLIFTC-OCCSQVGLSA-N 1 0 296.367 2.455 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CC=CC2)CC1 ZINC000595523726 345803522 /nfs/dbraw/zinc/80/35/22/345803522.db2.gz LHQZRQCPHMNVAN-UHFFFAOYSA-N 1 0 288.351 2.078 20 5 CEBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)CO ZINC000595527124 345804117 /nfs/dbraw/zinc/80/41/17/345804117.db2.gz PMJLJCVQFVATCA-UHFFFAOYSA-N 1 0 270.304 2.184 20 5 CEBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595688463 345848640 /nfs/dbraw/zinc/84/86/40/345848640.db2.gz HEQSQKPWWPHHQB-GASCZTMLSA-N 1 0 276.336 2.453 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595828997 345888551 /nfs/dbraw/zinc/88/85/51/345888551.db2.gz GCMCGLRZODHZSE-OLZOCXBDSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)C1O ZINC000595746172 345865158 /nfs/dbraw/zinc/86/51/58/345865158.db2.gz YCUXATGBUHFVHD-UWVGGRQHSA-N 1 0 282.315 2.183 20 5 CEBDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595757372 345868642 /nfs/dbraw/zinc/86/86/42/345868642.db2.gz JENHJYGREWHHHS-BXUZGUMPSA-N 1 0 280.299 2.202 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756756 345868737 /nfs/dbraw/zinc/86/87/37/345868737.db2.gz WNUWSCGZRHVVPR-IUODEOHRSA-N 1 0 292.335 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595759403 345869423 /nfs/dbraw/zinc/86/94/23/345869423.db2.gz PQLSVIRLFNZJEB-SWLSCSKDSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC2CC1(C[NH3+])C2 ZINC000595909313 345911359 /nfs/dbraw/zinc/91/13/59/345911359.db2.gz LJCXLAZHOODBHP-CDWSIMAYSA-N 1 0 261.325 2.079 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000595924812 345914337 /nfs/dbraw/zinc/91/43/37/345914337.db2.gz PODOIJHMLVSXFG-GFCCVEGCSA-N 1 0 277.324 2.230 20 5 CEBDRO CCc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595940510 345916153 /nfs/dbraw/zinc/91/61/53/345916153.db2.gz FIOTZHQMXNFENY-UHFFFAOYSA-N 1 0 291.351 2.159 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1=CCCC1 ZINC000596064852 345931763 /nfs/dbraw/zinc/93/17/63/345931763.db2.gz ARQVRVKIZTVCTB-ZDUSSCGKSA-N 1 0 292.335 2.034 20 5 CEBDRO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000596079081 345934912 /nfs/dbraw/zinc/93/49/12/345934912.db2.gz YGJMZFAZPOFTIS-QWRGUYRKSA-N 1 0 294.355 2.228 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596569673 346057643 /nfs/dbraw/zinc/05/76/43/346057643.db2.gz BLDFRVNOJRJOEL-LLVKDONJSA-N 1 0 296.396 2.007 20 5 CEBDRO C[NH+](C)CCC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000596569609 346057740 /nfs/dbraw/zinc/05/77/40/346057740.db2.gz YRLKKSUWQSZVQD-CYBMUJFWSA-N 1 0 293.367 2.142 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000596476313 346033241 /nfs/dbraw/zinc/03/32/41/346033241.db2.gz CHDRWKKBZZNQJB-LLVKDONJSA-N 1 0 291.355 2.204 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)CCO ZINC000295122803 199356558 /nfs/dbraw/zinc/35/65/58/199356558.db2.gz NMWODHPCEGVNOM-LBPRGKRZSA-N 1 0 296.367 2.492 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000597348410 346175411 /nfs/dbraw/zinc/17/54/11/346175411.db2.gz GYBXHIVPARJBNP-NSHDSACASA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H](O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597235302 346157578 /nfs/dbraw/zinc/15/75/78/346157578.db2.gz XSAAGPLCAIHRHO-MALLOTDXSA-N 1 0 262.309 2.111 20 5 CEBDRO COc1ccc(C[NH2+]CC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000181089498 232398549 /nfs/dbraw/zinc/39/85/49/232398549.db2.gz RKKZSRGQBPKWKR-UHFFFAOYSA-N 1 0 280.324 2.262 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cs1 ZINC000336788464 365808726 /nfs/dbraw/zinc/80/87/26/365808726.db2.gz PITSIMCXCOQXKJ-KOLCDFICSA-N 1 0 270.354 2.297 20 5 CEBDRO C[C@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000597993352 346265128 /nfs/dbraw/zinc/26/51/28/346265128.db2.gz SAUMQDZCWKLREI-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061041130 362673911 /nfs/dbraw/zinc/67/39/11/362673911.db2.gz FXYRFGPXYGXGGE-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000598342423 346332126 /nfs/dbraw/zinc/33/21/26/346332126.db2.gz NAKUBMCABMLIHD-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]C1(CNc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000598634112 346389114 /nfs/dbraw/zinc/38/91/14/346389114.db2.gz PHONZDFVXODGTB-UHFFFAOYSA-N 1 0 253.277 2.288 20 5 CEBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000598636717 346389490 /nfs/dbraw/zinc/38/94/90/346389490.db2.gz ZWKIEXHOTPAMKU-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598647695 346392012 /nfs/dbraw/zinc/39/20/12/346392012.db2.gz CTJBDWCXZZRSLA-JSGCOSHPSA-N 1 0 278.352 2.088 20 5 CEBDRO CC[C@]1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062889696 362729570 /nfs/dbraw/zinc/72/95/70/362729570.db2.gz RJEHXVXJQJDWAH-AWEZNQCLSA-N 1 0 277.324 2.231 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065504 346454528 /nfs/dbraw/zinc/45/45/28/346454528.db2.gz LULRIDBPZCBDTL-NILFDRSVSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599067298 346454754 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O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CC3)CC2)n1 ZINC000599672926 346560111 /nfs/dbraw/zinc/56/01/11/346560111.db2.gz KBZGLHLFCGLAAP-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000599604239 346545090 /nfs/dbraw/zinc/54/50/90/346545090.db2.gz NMYOPKUMEMBZFO-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000600679738 346672517 /nfs/dbraw/zinc/67/25/17/346672517.db2.gz OAJFCVRHQGTVMS-AAEUAGOBSA-N 1 0 293.367 2.224 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1C(C)C ZINC000600713548 346676049 /nfs/dbraw/zinc/67/60/49/346676049.db2.gz BWIJDXHSITVSNZ-AWEZNQCLSA-N 1 0 293.367 2.033 20 5 CEBDRO C[NH+](C)CCn1cc(-c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000600788742 346690820 /nfs/dbraw/zinc/69/08/20/346690820.db2.gz HCQSXYBDNLMEQE-UHFFFAOYSA-N 1 0 278.287 2.159 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000128451917 187370793 /nfs/dbraw/zinc/37/07/93/187370793.db2.gz ICLRQNOZNREBSR-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000601116393 346757665 /nfs/dbraw/zinc/75/76/65/346757665.db2.gz SLFACRXKKXVXSW-NSHDSACASA-N 1 0 280.303 2.025 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129370526 365850631 /nfs/dbraw/zinc/85/06/31/365850631.db2.gz RCCOJJGNZJPZJL-QWRGUYRKSA-N 1 0 276.340 2.335 20 5 CEBDRO CC[C@@H](C)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149334 346769795 /nfs/dbraw/zinc/76/97/95/346769795.db2.gz LKIIVONGMIBVAG-RISCZKNCSA-N 1 0 266.341 2.438 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000601189571 346781430 /nfs/dbraw/zinc/78/14/30/346781430.db2.gz SHDWCGDDCQIDDT-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601104571 346753606 /nfs/dbraw/zinc/75/36/06/346753606.db2.gz ATGRJBRUZAJHDO-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO COCCN(C)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601105790 346754037 /nfs/dbraw/zinc/75/40/37/346754037.db2.gz IPULAGRSMRGSPJ-UHFFFAOYSA-N 1 0 261.281 2.226 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2ccsc2[N+](=O)[O-])cn1 ZINC000601107836 346754469 /nfs/dbraw/zinc/75/44/69/346754469.db2.gz ATTPDGBUQUJHNL-UHFFFAOYSA-N 1 0 281.341 2.158 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000602647377 347122017 /nfs/dbraw/zinc/12/20/17/347122017.db2.gz HVHDITAJELRPIU-CYBMUJFWSA-N 1 0 276.336 2.106 20 5 CEBDRO Cc1ccccc1CC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602676389 347138091 /nfs/dbraw/zinc/13/80/91/347138091.db2.gz ZRQBHYPPEZUQJL-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819007 347212394 /nfs/dbraw/zinc/21/23/94/347212394.db2.gz PKLCDQXXUGPENZ-RYUDHWBXSA-N 1 0 298.412 2.482 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000602797113 347202970 /nfs/dbraw/zinc/20/29/70/347202970.db2.gz BNTVRJRANSJCFY-NEPJUHHUSA-N 1 0 280.372 2.468 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602723344 347171426 /nfs/dbraw/zinc/17/14/26/347171426.db2.gz GSGMFCNKMXKQKU-ZDUSSCGKSA-N 1 0 266.341 2.278 20 5 CEBDRO C/C=C\C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602724953 347172401 /nfs/dbraw/zinc/17/24/01/347172401.db2.gz OZYDHPGEUBXAFE-IHWYPQMZSA-N 1 0 276.340 2.124 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733895 347177476 /nfs/dbraw/zinc/17/74/76/347177476.db2.gz XHBLFHBDZAPRDB-SUNKGSAMSA-N 1 0 264.325 2.048 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000602817063 347211759 /nfs/dbraw/zinc/21/17/59/347211759.db2.gz SBKCOIXLVXRXIQ-GRYCIOLGSA-N 1 0 280.372 2.466 20 5 CEBDRO C[C@@H](C1CC1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602764201 347188781 /nfs/dbraw/zinc/18/87/81/347188781.db2.gz UUDMIDCWXHRHHY-VIFPVBQESA-N 1 0 264.329 2.091 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC(C)(C)C ZINC000602849796 347224031 /nfs/dbraw/zinc/22/40/31/347224031.db2.gz AKTWIKLFTWSTNG-UHFFFAOYSA-N 1 0 268.361 2.468 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000603396891 347358178 /nfs/dbraw/zinc/35/81/78/347358178.db2.gz AWALGDSCSOOECK-WDEREUQCSA-N 1 0 295.387 2.260 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000085982716 179209923 /nfs/dbraw/zinc/20/99/23/179209923.db2.gz LVZOJIBSFUFKFV-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO CCOc1cc(NC[C@@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418602 347365166 /nfs/dbraw/zinc/36/51/66/347365166.db2.gz HIYYYCLTQIJNLB-LLVKDONJSA-N 1 0 297.380 2.110 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000604408747 347414520 /nfs/dbraw/zinc/41/45/20/347414520.db2.gz GOWBQKSBSXJZSX-UHFFFAOYSA-N 1 0 290.348 2.378 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336831039 365895474 /nfs/dbraw/zinc/89/54/74/365895474.db2.gz CKNSHKCQXBEHOE-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000610389838 347677889 /nfs/dbraw/zinc/67/78/89/347677889.db2.gz BLVRWDXHUFBXAH-UHFFFAOYSA-N 1 0 250.298 2.063 20 5 CEBDRO C[NH+](C)C1CCN(CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000610510487 347687448 /nfs/dbraw/zinc/68/74/48/347687448.db2.gz JAIFFDYPSGEYRL-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000610664929 347699595 /nfs/dbraw/zinc/69/95/95/347699595.db2.gz FJCVMQMQJWIYDB-JQWIXIFHSA-N 1 0 266.345 2.268 20 5 CEBDRO CC[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129925877 365908202 /nfs/dbraw/zinc/90/82/02/365908202.db2.gz LZSYMBALCIDSSF-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610273808 347668370 /nfs/dbraw/zinc/66/83/70/347668370.db2.gz MTFAFNOMATVNPH-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000611272027 347761881 /nfs/dbraw/zinc/76/18/81/347761881.db2.gz DPIAJVPOYFGIAA-DRYSKOCLSA-N 1 0 274.320 2.471 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+](C)C ZINC000611370852 347770633 /nfs/dbraw/zinc/77/06/33/347770633.db2.gz SEDKWCKSBLGGEL-BDAKNGLRSA-N 1 0 287.410 2.138 20 5 CEBDRO CC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092126 347738543 /nfs/dbraw/zinc/73/85/43/347738543.db2.gz JGYAJMVXKLKUGQ-SNVBAGLBSA-N 1 0 269.370 2.182 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000611254689 347759102 /nfs/dbraw/zinc/75/91/02/347759102.db2.gz DXIZQSYTVINMKR-UHFFFAOYSA-N 1 0 262.309 2.373 20 5 CEBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130178585 365931418 /nfs/dbraw/zinc/93/14/18/365931418.db2.gz DGRBYMXSADGUET-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612582074 347904076 /nfs/dbraw/zinc/90/40/76/347904076.db2.gz RLLIGDJGUYYGQP-AEGPPILISA-N 1 0 276.336 2.106 20 5 CEBDRO COCCCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351872963 219233373 /nfs/dbraw/zinc/23/33/73/219233373.db2.gz FVFOBSPOCWEIOI-UHFFFAOYSA-N 1 0 282.340 2.462 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614711760 348230882 /nfs/dbraw/zinc/23/08/82/348230882.db2.gz RQDZGLMNEYUYIW-ZIAGYGMSSA-N 1 0 291.351 2.116 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339481259 215198613 /nfs/dbraw/zinc/19/86/13/215198613.db2.gz CKRMKHMZUDUSQG-SECBINFHSA-N 1 0 256.277 2.441 20 5 CEBDRO CC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000616865323 348580909 /nfs/dbraw/zinc/58/09/09/348580909.db2.gz KJIDLRCWOSJYQI-CQSZACIVSA-N 1 0 280.324 2.262 20 5 CEBDRO COc1cc(C[NH2+]CC[C@H](C)F)c([N+](=O)[O-])cc1O ZINC000339498015 215211159 /nfs/dbraw/zinc/21/11/59/215211159.db2.gz MPFBKAYJPDHHPK-QMMMGPOBSA-N 1 0 272.276 2.147 20 5 CEBDRO C[C@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000533250431 313365226 /nfs/dbraw/zinc/36/52/26/313365226.db2.gz IVWMBYVEWORXEV-JTQLQIEISA-N 1 0 254.334 2.158 20 5 CEBDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000400401830 233178222 /nfs/dbraw/zinc/17/82/22/233178222.db2.gz KWSMXZFTVSEVRA-COPLHBTASA-N 1 0 263.341 2.386 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000618966634 349078840 /nfs/dbraw/zinc/07/88/40/349078840.db2.gz VTRIEJQCYYZRBS-UHFFFAOYSA-N 1 0 285.307 2.062 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000273997350 192395745 /nfs/dbraw/zinc/39/57/45/192395745.db2.gz KKFHEUVZQGCLLD-QWRGUYRKSA-N 1 0 280.324 2.272 20 5 CEBDRO CC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000619531985 349194903 /nfs/dbraw/zinc/19/49/03/349194903.db2.gz YIFCPVLJXQCZDL-AWEZNQCLSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551664 180002945 /nfs/dbraw/zinc/00/29/45/180002945.db2.gz HZCJTRSQIKWCKU-LBPRGKRZSA-N 1 0 281.356 2.125 20 5 CEBDRO Cc1cnc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090692624 180025334 /nfs/dbraw/zinc/02/53/34/180025334.db2.gz YSTJOOWVUKWMLX-NSHDSACASA-N 1 0 264.329 2.100 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774022 180038873 /nfs/dbraw/zinc/03/88/73/180038873.db2.gz JJCMPJZQGFCINQ-WDEREUQCSA-N 1 0 250.298 2.343 20 5 CEBDRO CCc1nn(C)c(NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000091561287 180192039 /nfs/dbraw/zinc/19/20/39/180192039.db2.gz CMXSHQOCYLEVAW-UHFFFAOYSA-N 1 0 295.387 2.177 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673506 180224214 /nfs/dbraw/zinc/22/42/14/180224214.db2.gz OALLJNCCYINZJG-GHMZBOCLSA-N 1 0 295.314 2.009 20 5 CEBDRO Cc1nc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000568901572 299165981 /nfs/dbraw/zinc/16/59/81/299165981.db2.gz BLFJNTMIYPLOMS-UHFFFAOYSA-N 1 0 274.324 2.267 20 5 CEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000091845812 180270188 /nfs/dbraw/zinc/27/01/88/180270188.db2.gz DYZJRZBDMAZLGU-UHFFFAOYSA-N 1 0 292.339 2.328 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091957394 180292001 /nfs/dbraw/zinc/29/20/01/180292001.db2.gz VFJPOZJGHMBNDY-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@H]21 ZINC000339721058 215314049 /nfs/dbraw/zinc/31/40/49/215314049.db2.gz VERHMDYVQSOAGK-NEPJUHHUSA-N 1 0 278.356 2.302 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000107829628 186194681 /nfs/dbraw/zinc/19/46/81/186194681.db2.gz UUKLPXGHLSQYBJ-ZYHUDNBSSA-N 1 0 262.313 2.029 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107690865 186186531 /nfs/dbraw/zinc/18/65/31/186186531.db2.gz VMNGEUYMAOSMPQ-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000109705759 186268566 /nfs/dbraw/zinc/26/85/66/186268566.db2.gz RIDAMPUBQHKDME-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000109705817 186270105 /nfs/dbraw/zinc/27/01/05/186270105.db2.gz YHHMJCXHYWMNDD-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000109810745 186275951 /nfs/dbraw/zinc/27/59/51/186275951.db2.gz QQAAWLFELNEAML-NSHDSACASA-N 1 0 269.370 2.182 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804430 186274210 /nfs/dbraw/zinc/27/42/10/186274210.db2.gz HFDJZCYKGRHHKK-HNNXBMFYSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000271403391 191118124 /nfs/dbraw/zinc/11/81/24/191118124.db2.gz WEXOUWWWNQGAMO-QKOWSDGPSA-N 1 0 276.336 2.311 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070014903 363020814 /nfs/dbraw/zinc/02/08/14/363020814.db2.gz LVZHMZFELOIVHZ-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074556 363027094 /nfs/dbraw/zinc/02/70/94/363027094.db2.gz STXNJAHNRFYBAJ-WCQYABFASA-N 1 0 293.367 2.163 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000118847443 186785795 /nfs/dbraw/zinc/78/57/95/186785795.db2.gz IJEJGZVJVGUMRU-NSHDSACASA-N 1 0 258.343 2.297 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CC[NH3+] ZINC000070149971 363038754 /nfs/dbraw/zinc/03/87/54/363038754.db2.gz LSCYOLXIASAOLM-CYBMUJFWSA-N 1 0 293.367 2.307 20 5 CEBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318574 187026728 /nfs/dbraw/zinc/02/67/28/187026728.db2.gz VIRKPLISKMVXNQ-AAEUAGOBSA-N 1 0 275.352 2.310 20 5 CEBDRO C[NH2+][C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000123187057 187076405 /nfs/dbraw/zinc/07/64/05/187076405.db2.gz PTCAWWDRPUFTJT-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO C[NH+](C)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000123973531 187116833 /nfs/dbraw/zinc/11/68/33/187116833.db2.gz BLYROZJDYBNODT-UHFFFAOYSA-N 1 0 269.370 2.182 20 5 CEBDRO CSC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292047009 198144187 /nfs/dbraw/zinc/14/41/87/198144187.db2.gz BCFOOASHMVMOCL-SNVBAGLBSA-N 1 0 284.381 2.143 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292090010 198159276 /nfs/dbraw/zinc/15/92/76/198159276.db2.gz GSJXIXOSSGRLMW-GFCCVEGCSA-N 1 0 296.367 2.207 20 5 CEBDRO CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000292246503 198216570 /nfs/dbraw/zinc/21/65/70/198216570.db2.gz QOVBSKRXBDSMDX-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154861964 188166454 /nfs/dbraw/zinc/16/64/54/188166454.db2.gz UWVXIEDBZCJGEW-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCC2)c1 ZINC000155812149 188228446 /nfs/dbraw/zinc/22/84/46/188228446.db2.gz QOJYFZGHRQVRGW-UHFFFAOYSA-N 1 0 265.313 2.111 20 5 CEBDRO Cc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157364290 188313001 /nfs/dbraw/zinc/31/30/01/188313001.db2.gz PAUGGFSCHZYJRV-UHFFFAOYSA-N 1 0 274.324 2.232 20 5 CEBDRO Cc1cc(N(C)CC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000292678814 198373304 /nfs/dbraw/zinc/37/33/04/198373304.db2.gz QWTBFMNIJRNGJG-UHFFFAOYSA-N 1 0 255.293 2.040 20 5 CEBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132155398 366122554 /nfs/dbraw/zinc/12/25/54/366122554.db2.gz CIYUKIDAIKMOSQ-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO C[C@H](CO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132209514 366126487 /nfs/dbraw/zinc/12/64/87/366126487.db2.gz PGWRKSVXUXJZMD-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000074271793 363318856 /nfs/dbraw/zinc/31/88/56/363318856.db2.gz DPTZYSXYIFPFMO-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH+](C)C ZINC000569745479 299216363 /nfs/dbraw/zinc/21/63/63/299216363.db2.gz WNPOYISEFTUURI-JTQLQIEISA-N 1 0 267.329 2.213 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074740316 363380288 /nfs/dbraw/zinc/38/02/88/363380288.db2.gz XMWUAXIGZAHTMA-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1OC ZINC000451633883 283059005 /nfs/dbraw/zinc/05/90/05/283059005.db2.gz PYGDMHYKKMVCBY-CHWSQXEVSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778809 191320813 /nfs/dbraw/zinc/32/08/13/191320813.db2.gz KNLZXHGYWBKGGC-GXTWGEPZSA-N 1 0 296.367 2.340 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C)CC1 ZINC000173611992 188861520 /nfs/dbraw/zinc/86/15/20/188861520.db2.gz UULBMPFSYGQVHO-UHFFFAOYSA-N 1 0 291.351 2.492 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000451813812 283114106 /nfs/dbraw/zinc/11/41/06/283114106.db2.gz WDLOGGGXZQTDMU-GFCCVEGCSA-N 1 0 291.307 2.251 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000451958710 283151972 /nfs/dbraw/zinc/15/19/72/283151972.db2.gz XAXLJGQBPHEKBY-QWHCGFSZSA-N 1 0 293.367 2.267 20 5 CEBDRO CO[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344544 363538685 /nfs/dbraw/zinc/53/86/85/363538685.db2.gz DACZRJMBDFQLHD-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452137275 283200977 /nfs/dbraw/zinc/20/09/77/283200977.db2.gz ZVMGJQJJGLEJKR-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000577707396 366384319 /nfs/dbraw/zinc/38/43/19/366384319.db2.gz FGSLWYJJJWLPNZ-SECBINFHSA-N 1 0 280.303 2.025 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286389876 291127687 /nfs/dbraw/zinc/12/76/87/291127687.db2.gz OWFBAWRRVHPRBG-AAEUAGOBSA-N 1 0 290.367 2.240 20 5 CEBDRO CC(C)(CO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294794292 199186489 /nfs/dbraw/zinc/18/64/89/199186489.db2.gz MGKGWGBEOIGUND-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000135235796 366414535 /nfs/dbraw/zinc/41/45/35/366414535.db2.gz ULHWVCYFTPYNNY-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469178 366443559 /nfs/dbraw/zinc/44/35/59/366443559.db2.gz RRGOZTQRBFMJRR-CMPLNLGQSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294895810 199235851 /nfs/dbraw/zinc/23/58/51/199235851.db2.gz VOYZDXLTWOVNGD-LLVKDONJSA-N 1 0 286.335 2.465 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906823 199242353 /nfs/dbraw/zinc/24/23/53/199242353.db2.gz FHKMBBQNQYPDJX-NEPJUHHUSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000294927299 199252876 /nfs/dbraw/zinc/25/28/76/199252876.db2.gz UIBPYPNHHUVPSK-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415505834 236676614 /nfs/dbraw/zinc/67/66/14/236676614.db2.gz QWPSXTKIZCAOQM-LLVKDONJSA-N 1 0 280.328 2.008 20 5 CEBDRO CC[C@]1(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000136480813 366514285 /nfs/dbraw/zinc/51/42/85/366514285.db2.gz WOEYNRVBUDUYGC-CQSZACIVSA-N 1 0 293.323 2.074 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417403509 237112331 /nfs/dbraw/zinc/11/23/31/237112331.db2.gz NVYCVVWDRARWAQ-KYOSRNDESA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579688 216020878 /nfs/dbraw/zinc/02/08/78/216020878.db2.gz ZQEAOBCWCPTQAW-IAQYHMDHSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341714529 216077231 /nfs/dbraw/zinc/07/72/31/216077231.db2.gz UGTJAZHYJKBQQO-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000453162613 283490617 /nfs/dbraw/zinc/49/06/17/283490617.db2.gz PFFQMOUTZVIJBM-CYBMUJFWSA-N 1 0 266.345 2.350 20 5 CEBDRO CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000140477004 366559828 /nfs/dbraw/zinc/55/98/28/366559828.db2.gz OOZTWGBUMGHIQG-LBPRGKRZSA-N 1 0 288.307 2.128 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148501121 366583766 /nfs/dbraw/zinc/58/37/66/366583766.db2.gz ODQJVMDZZIKWGM-QMMMGPOBSA-N 1 0 272.736 2.395 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000081275267 363709036 /nfs/dbraw/zinc/70/90/36/363709036.db2.gz RYEKIDDHBWCQQZ-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000179584071 189204548 /nfs/dbraw/zinc/20/45/48/189204548.db2.gz KPLCJVMIDMURIY-NXEZZACHSA-N 1 0 268.313 2.025 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179890031 189226614 /nfs/dbraw/zinc/22/66/14/189226614.db2.gz POSBMSNECTXVNG-ZDUSSCGKSA-N 1 0 292.335 2.431 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180038346 189234657 /nfs/dbraw/zinc/23/46/57/189234657.db2.gz LRYXRDQXJVAVCL-UHFFFAOYSA-N 1 0 280.324 2.192 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000571641019 299320429 /nfs/dbraw/zinc/32/04/29/299320429.db2.gz YFDKHIDZBCDAHV-DAGBOUIGSA-N 1 0 288.307 2.299 20 5 CEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000301328260 200976851 /nfs/dbraw/zinc/97/68/51/200976851.db2.gz CIOQCSCGUQOMTM-SNVBAGLBSA-N 1 0 266.345 2.378 20 5 CEBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000024204696 361607771 /nfs/dbraw/zinc/60/77/71/361607771.db2.gz LGEFHSXMJVANOD-GFCCVEGCSA-N 1 0 297.403 2.497 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CC[N@H+](C)C1CC1 ZINC000184790065 189395707 /nfs/dbraw/zinc/39/57/07/189395707.db2.gz LUCDZDMEZDFYDY-UHFFFAOYSA-N 1 0 293.367 2.272 20 5 CEBDRO Cc1cc(NCC[N@H+]2CC=C(C)CC2)ncc1[N+](=O)[O-] ZINC000302160999 201374394 /nfs/dbraw/zinc/37/43/94/201374394.db2.gz PNGGGEUEJNRKKH-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO C[C@@H](CCCO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088503553 363902564 /nfs/dbraw/zinc/90/25/64/363902564.db2.gz FMOIOYXFZWXNAC-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000089517824 363975012 /nfs/dbraw/zinc/97/50/12/363975012.db2.gz WWVGQEZSWMOWFO-JTQLQIEISA-N 1 0 290.323 2.488 20 5 CEBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511874 363975055 /nfs/dbraw/zinc/97/50/55/363975055.db2.gz KFMFIXNKMAANQB-GFCCVEGCSA-N 1 0 293.367 2.331 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517640 364060651 /nfs/dbraw/zinc/06/06/51/364060651.db2.gz LNXAVWWYIOSDNV-OLZOCXBDSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093986645 364245073 /nfs/dbraw/zinc/24/50/73/364245073.db2.gz RTQJRFMHWZCOQV-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000093986644 364245256 /nfs/dbraw/zinc/24/52/56/364245256.db2.gz RTQJRFMHWZCOQV-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094135351 364253815 /nfs/dbraw/zinc/25/38/15/364253815.db2.gz YHSQAJNWDXBTBA-UHFFFAOYSA-N 1 0 293.367 2.202 20 5 CEBDRO C[C@@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C ZINC000572082388 299344020 /nfs/dbraw/zinc/34/40/20/299344020.db2.gz NJHMTEXQCANHDN-GHMZBOCLSA-N 1 0 290.367 2.457 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000582002565 366848249 /nfs/dbraw/zinc/84/82/49/366848249.db2.gz SHWFSNVGJBFIAE-ZYHUDNBSSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000097439289 364501126 /nfs/dbraw/zinc/50/11/26/364501126.db2.gz CDQIADIPEPSYFU-GHMZBOCLSA-N 1 0 252.314 2.264 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000111829081 364762811 /nfs/dbraw/zinc/76/28/11/364762811.db2.gz PKNBAQXROAUHRY-SBDDDAINSA-N 1 0 291.351 2.098 20 5 CEBDRO COC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112985455 364864080 /nfs/dbraw/zinc/86/40/80/364864080.db2.gz DHRSXDAMUVYXNW-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655272 364908249 /nfs/dbraw/zinc/90/82/49/364908249.db2.gz DXDHHFXNYVHXDQ-YPMHNXCESA-N 1 0 263.341 2.154 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275572803 193077747 /nfs/dbraw/zinc/07/77/47/193077747.db2.gz YZMVGJDTRZTRHL-UHFFFAOYSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236762 366892392 /nfs/dbraw/zinc/89/23/92/366892392.db2.gz YUWSSVRMKQEJMQ-BXUZGUMPSA-N 1 0 264.325 2.330 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000582823773 366962189 /nfs/dbraw/zinc/96/21/89/366962189.db2.gz IKEMKFZHVFCJDN-CYBMUJFWSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000160951684 367045992 /nfs/dbraw/zinc/04/59/92/367045992.db2.gz PNCKTUDMTVHRPX-NSHDSACASA-N 1 0 279.340 2.078 20 5 CEBDRO CCC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583793344 367097179 /nfs/dbraw/zinc/09/71/79/367097179.db2.gz JBHVTAJVWYXRIJ-GFCCVEGCSA-N 1 0 264.325 2.114 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100073 367172236 /nfs/dbraw/zinc/17/22/36/367172236.db2.gz KUEREHKJLOIJFP-VXGBXAGGSA-N 1 0 278.356 2.087 20 5 CEBDRO CC[C@@H](NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000162434355 367160016 /nfs/dbraw/zinc/16/00/16/367160016.db2.gz AXOCXZHHHARLSS-CQSZACIVSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000162721910 367183622 /nfs/dbraw/zinc/18/36/22/367183622.db2.gz YSHNVWNBDSEEMD-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000341288201 367270146 /nfs/dbraw/zinc/27/01/46/367270146.db2.gz ZRMSIMZIHPAXKG-TZMCWYRMSA-N 1 0 264.325 2.500 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000164131891 367277968 /nfs/dbraw/zinc/27/79/68/367277968.db2.gz IZTJODIPVAJKFI-QWHCGFSZSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163289581 367228613 /nfs/dbraw/zinc/22/86/13/367228613.db2.gz IEDFXLFKEFIIEM-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163432586 367238904 /nfs/dbraw/zinc/23/89/04/367238904.db2.gz ZEIDCQJEQBOXRM-RMDKCXRXSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000225154485 189744635 /nfs/dbraw/zinc/74/46/35/189744635.db2.gz ZMUPIMZLZAODEE-GRYCIOLGSA-N 1 0 263.341 2.338 20 5 CEBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000171688451 367592596 /nfs/dbraw/zinc/59/25/96/367592596.db2.gz HLAPVRAVDQKHBB-NSHDSACASA-N 1 0 282.365 2.411 20 5 CEBDRO COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1[N+](=O)[O-] ZINC000358044468 370882700 /nfs/dbraw/zinc/88/27/00/370882700.db2.gz IOSLSSRDLZRDAS-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000245912650 370887858 /nfs/dbraw/zinc/88/78/58/370887858.db2.gz FYWNIEOGKUVRAI-HIFRSBDPSA-N 1 0 275.352 2.121 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000343555746 367881041 /nfs/dbraw/zinc/88/10/41/367881041.db2.gz FOJCEYMWIXGORM-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343567405 367888528 /nfs/dbraw/zinc/88/85/28/367888528.db2.gz LKJWBXYAIRJXIP-CQSZACIVSA-N 1 0 291.351 2.199 20 5 CEBDRO CCOC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000176308610 368222502 /nfs/dbraw/zinc/22/25/02/368222502.db2.gz WDCKAEQHRZCGQP-AWEZNQCLSA-N 1 0 278.352 2.496 20 5 CEBDRO C[C@@H](c1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176195890 368210196 /nfs/dbraw/zinc/21/01/96/368210196.db2.gz HLPJYICVQCHKRF-LBPRGKRZSA-N 1 0 274.324 2.484 20 5 CEBDRO CCOCCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000180994972 368410595 /nfs/dbraw/zinc/41/05/95/368410595.db2.gz INGZZSWABCJGRR-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000181293004 368441615 /nfs/dbraw/zinc/44/16/15/368441615.db2.gz ROZXQYXHHGGBHT-NSHDSACASA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1ccccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181534339 368467436 /nfs/dbraw/zinc/46/74/36/368467436.db2.gz QIZQICVZQZRQPQ-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO C[N@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000346174820 368577559 /nfs/dbraw/zinc/57/75/59/368577559.db2.gz LSITVYMFEAXYBF-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645044 203073050 /nfs/dbraw/zinc/07/30/50/203073050.db2.gz GIUVXZXZCKKYAE-ZFWWWQNUSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189315385 369495981 /nfs/dbraw/zinc/49/59/81/369495981.db2.gz VWKUEASCUSTJDP-MJVIPROJSA-N 1 0 264.325 2.406 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267465 370983791 /nfs/dbraw/zinc/98/37/91/370983791.db2.gz QBFZJWLBMXKTGM-LERXQTSPSA-N 1 0 291.351 2.160 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189652111 369552094 /nfs/dbraw/zinc/55/20/94/369552094.db2.gz AZGKMOMUZADBLA-OAHLLOKOSA-N 1 0 278.352 2.374 20 5 CEBDRO Cc1c(C[N@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276420914 193323839 /nfs/dbraw/zinc/32/38/39/193323839.db2.gz QTPILTRCTZSYTK-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374865 296148315 /nfs/dbraw/zinc/14/83/15/296148315.db2.gz WDVSLCXLQJTLCU-WDEREUQCSA-N 1 0 289.339 2.113 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](CCO)CC1CC1 ZINC000352484948 369752956 /nfs/dbraw/zinc/75/29/56/369752956.db2.gz VPUVILQFGXQYTB-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO COc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352768204 369875054 /nfs/dbraw/zinc/87/50/54/369875054.db2.gz GJLONAAQRPMAMM-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)C1CC1 ZINC000353099950 370017590 /nfs/dbraw/zinc/01/75/90/370017590.db2.gz YMAWSQUWOQETOT-CYBMUJFWSA-N 1 0 294.351 2.102 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150137 370040980 /nfs/dbraw/zinc/04/09/80/370040980.db2.gz IPIIDBINYFEXQZ-UKRRQHHQSA-N 1 0 294.351 2.187 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023145 369986532 /nfs/dbraw/zinc/98/65/32/369986532.db2.gz GXDVIDJUVPTOJS-OLZOCXBDSA-N 1 0 294.351 2.065 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000223238281 370262453 /nfs/dbraw/zinc/26/24/53/370262453.db2.gz QOWIUXFDYITPLV-UHFFFAOYSA-N 1 0 252.314 2.234 20 5 CEBDRO CCC[N@H+](CC)CCNc1cccnc1[N+](=O)[O-] ZINC000223251349 370262589 /nfs/dbraw/zinc/26/25/89/370262589.db2.gz BRNSCYPCERNIJP-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000354283279 370295037 /nfs/dbraw/zinc/29/50/37/370295037.db2.gz RTBNXEOMQRVWJD-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@H](O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000227952931 370389353 /nfs/dbraw/zinc/38/93/53/370389353.db2.gz NFIFQVFNEIGUSJ-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000354354085 370328516 /nfs/dbraw/zinc/32/85/16/370328516.db2.gz OQJPIEMZTYJFSH-NEPJUHHUSA-N 1 0 278.356 2.299 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591450 370407416 /nfs/dbraw/zinc/40/74/16/370407416.db2.gz FATYDUDPFQLRBJ-GXSJLCMTSA-N 1 0 252.314 2.010 20 5 CEBDRO CC(C)(CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000231399557 370478778 /nfs/dbraw/zinc/47/87/78/370478778.db2.gz RMJXPMKSWNJPKT-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000231482975 370480434 /nfs/dbraw/zinc/48/04/34/370480434.db2.gz AVTXAQGDKNDZMT-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231469242 370480932 /nfs/dbraw/zinc/48/09/32/370480932.db2.gz QECNMHYHXGBGCJ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234394392 370535086 /nfs/dbraw/zinc/53/50/86/370535086.db2.gz IQRTYCCGPHOVPQ-ZETCQYMHSA-N 1 0 292.261 2.276 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355745109 370613274 /nfs/dbraw/zinc/61/32/74/370613274.db2.gz ZWIRYVLKFNXIKG-MXWKQRLJSA-N 1 0 266.345 2.195 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247160121 371072415 /nfs/dbraw/zinc/07/24/15/371072415.db2.gz ALFOTILTWYIXPF-SMDDNHRTSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249049922 371287405 /nfs/dbraw/zinc/28/74/05/371287405.db2.gz XGLVGDKKHRWUMV-UHMLPPNMSA-N 1 0 296.392 2.329 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000250950378 371394645 /nfs/dbraw/zinc/39/46/45/371394645.db2.gz MRXMBTDGAUTOSU-NEPJUHHUSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252674824 371466802 /nfs/dbraw/zinc/46/68/02/371466802.db2.gz UISAAUUKZRZWPY-RYUDHWBXSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000252728501 371473940 /nfs/dbraw/zinc/47/39/40/371473940.db2.gz BQBKKATWVPFLLW-FDMGOTLNSA-N 1 0 284.381 2.403 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000261773012 371726115 /nfs/dbraw/zinc/72/61/15/371726115.db2.gz NGXQZRLLXHFTJY-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000344038786 217022338 /nfs/dbraw/zinc/02/23/38/217022338.db2.gz GDVMFGLJWNYCTP-NSHDSACASA-N 1 0 266.345 2.159 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CC[NH2+]C1 ZINC000262037036 371808048 /nfs/dbraw/zinc/80/80/48/371808048.db2.gz ORGRRRRXJUKIQI-CQSZACIVSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262061756 371815586 /nfs/dbraw/zinc/81/55/86/371815586.db2.gz RFBLXZOAUZPPIG-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344136790 217068567 /nfs/dbraw/zinc/06/85/67/217068567.db2.gz VAQCFQYJYBHPJH-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1noc(CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000268649392 372169236 /nfs/dbraw/zinc/16/92/36/372169236.db2.gz JGKPIMURHXHMFQ-UHFFFAOYSA-N 1 0 290.323 2.351 20 5 CEBDRO Cc1nc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268512310 372123275 /nfs/dbraw/zinc/12/32/75/372123275.db2.gz SJSXGHPKQPOLOR-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000268815341 372238309 /nfs/dbraw/zinc/23/83/09/372238309.db2.gz IHYWTKCJKWQZSW-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000353358264 220043839 /nfs/dbraw/zinc/04/38/39/220043839.db2.gz YPUFDUCIBCYMCF-UHFFFAOYSA-N 1 0 298.346 2.460 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903736 372280844 /nfs/dbraw/zinc/28/08/44/372280844.db2.gz GJRHDIYSIKYAPQ-FZMZJTMJSA-N 1 0 296.392 2.422 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903738 372280901 /nfs/dbraw/zinc/28/09/01/372280901.db2.gz GJRHDIYSIKYAPQ-RISCZKNCSA-N 1 0 296.392 2.422 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099559 372340994 /nfs/dbraw/zinc/34/09/94/372340994.db2.gz TUHPNFTWPGFXLE-ZWNOBZJWSA-N 1 0 279.340 2.160 20 5 CEBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000344416834 217185756 /nfs/dbraw/zinc/18/57/56/217185756.db2.gz JQTITNGCFBQVBY-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(CO)o2)c1 ZINC000270242069 372713278 /nfs/dbraw/zinc/71/32/78/372713278.db2.gz CYGOLIUISICJOK-UHFFFAOYSA-N 1 0 276.292 2.012 20 5 CEBDRO CCN1C[C@H](C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000344622540 217251173 /nfs/dbraw/zinc/25/11/73/217251173.db2.gz ZLDWECKZRMWSHY-GXTWGEPZSA-N 1 0 277.368 2.067 20 5 CEBDRO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270873700 372992266 /nfs/dbraw/zinc/99/22/66/372992266.db2.gz ACEJVXCBOLEYJS-UHFFFAOYSA-N 1 0 269.370 2.182 20 5 CEBDRO CNC(=O)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344818959 217321218 /nfs/dbraw/zinc/32/12/18/217321218.db2.gz GDFRDKNYTHFKHM-FMIVXFBMSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H]([NH2+][C@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049111 217397006 /nfs/dbraw/zinc/39/70/06/217397006.db2.gz GGLUDHXQHYOQSC-LOWVWBTDSA-N 1 0 262.309 2.182 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000272626122 373590239 /nfs/dbraw/zinc/59/02/39/373590239.db2.gz VUKHSGGDGJCCPW-UHFFFAOYSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000371442888 373882706 /nfs/dbraw/zinc/88/27/06/373882706.db2.gz MBECCLBUPFSTSY-NSHDSACASA-N 1 0 278.356 2.340 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000277260625 374456010 /nfs/dbraw/zinc/45/60/10/374456010.db2.gz LIBHGBHOMVSMRY-LLVKDONJSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000277299493 374469822 /nfs/dbraw/zinc/46/98/22/374469822.db2.gz CGSAQJHPZMQWJQ-MFKMUULPSA-N 1 0 264.325 2.418 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374055903 374476172 /nfs/dbraw/zinc/47/61/72/374476172.db2.gz WMXPQVMJSBUDDZ-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277719873 374622518 /nfs/dbraw/zinc/62/25/18/374622518.db2.gz JDPZWEVYTHZAHY-AAEUAGOBSA-N 1 0 264.325 2.418 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000277911799 374681229 /nfs/dbraw/zinc/68/12/29/374681229.db2.gz PMZDNFDCTBQGHJ-JQWIXIFHSA-N 1 0 280.324 2.118 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278889335 374838786 /nfs/dbraw/zinc/83/87/86/374838786.db2.gz XEBAIUZJTWAINV-CORIIIEPSA-N 1 0 294.351 2.439 20 5 CEBDRO Cc1ccc(C[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000279665332 374948895 /nfs/dbraw/zinc/94/88/95/374948895.db2.gz GXLVRFAIPQKJTM-UHFFFAOYSA-N 1 0 275.352 2.255 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279866711 375015340 /nfs/dbraw/zinc/01/53/40/375015340.db2.gz SXDULESLQIFSQN-ZDUSSCGKSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000279938403 375037149 /nfs/dbraw/zinc/03/71/49/375037149.db2.gz YPOHWPRTJNUNGT-NSHDSACASA-N 1 0 297.380 2.004 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000385897440 375248198 /nfs/dbraw/zinc/24/81/98/375248198.db2.gz OCYJJVXNBFTJAM-WCQYABFASA-N 1 0 264.325 2.106 20 5 CEBDRO Cn1cc(C[NH2+]CCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280616878 375262143 /nfs/dbraw/zinc/26/21/43/375262143.db2.gz FFPCCIKEDSVHPC-UHFFFAOYSA-N 1 0 278.287 2.054 20 5 CEBDRO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000408464799 375488711 /nfs/dbraw/zinc/48/87/11/375488711.db2.gz FTUBZRASCVIVHY-UWVGGRQHSA-N 1 0 282.319 2.048 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[C@H]1O ZINC000283280049 375686115 /nfs/dbraw/zinc/68/61/15/375686115.db2.gz XEQKTMBQJFOOSM-SMDDNHRTSA-N 1 0 282.315 2.327 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414541742 375844821 /nfs/dbraw/zinc/84/48/21/375844821.db2.gz JNVMNRZXHADXPG-WAFBPQNNSA-N 1 0 291.351 2.111 20 5 CEBDRO CCN1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286221201 375876481 /nfs/dbraw/zinc/87/64/81/375876481.db2.gz CZWPDXUHALCHDN-LLVKDONJSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000414653291 375902393 /nfs/dbraw/zinc/90/23/93/375902393.db2.gz DZXLLHAEAUXSCU-MNOVXSKESA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414658623 375905057 /nfs/dbraw/zinc/90/50/57/375905057.db2.gz LNHMTKCTPTUDLM-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414668009 375910155 /nfs/dbraw/zinc/91/01/55/375910155.db2.gz YJKGRBIAIAPRLK-JOYOIKCWSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1F ZINC000286383043 375934205 /nfs/dbraw/zinc/93/42/05/375934205.db2.gz ZEZMUPFGKRDPDA-YPMHNXCESA-N 1 0 282.315 2.375 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414798417 375982188 /nfs/dbraw/zinc/98/21/88/375982188.db2.gz JBDJWNZRWWETMY-IINYFYTJSA-N 1 0 281.331 2.341 20 5 CEBDRO CCOC1CC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286925493 376105837 /nfs/dbraw/zinc/10/58/37/376105837.db2.gz KVFVPHRRJSMAGZ-YMAMQOFZSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(F)(F)CC1 ZINC000286957788 376114932 /nfs/dbraw/zinc/11/49/32/376114932.db2.gz NCBXXVDTJRROHL-UHFFFAOYSA-N 1 0 288.298 2.301 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000310838117 376639794 /nfs/dbraw/zinc/63/97/94/376639794.db2.gz AMMVYTNIBWZMIY-ONGXEEELSA-N 1 0 250.298 2.492 20 5 CEBDRO COc1cc(C[NH2+]C2CCC2)c([N+](=O)[O-])cc1OC ZINC000264538200 190116561 /nfs/dbraw/zinc/11/65/61/190116561.db2.gz PMFOEYZHXNRIEC-UHFFFAOYSA-N 1 0 266.297 2.254 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000314523053 376776623 /nfs/dbraw/zinc/77/66/23/376776623.db2.gz OLHDQCVJRWFDOJ-IDVQTMNDSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1ccc([C@@H](C)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422922066 376861091 /nfs/dbraw/zinc/86/10/91/376861091.db2.gz RTTFBFWONVFWRJ-LLVKDONJSA-N 1 0 263.341 2.306 20 5 CEBDRO C[C@@H](NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000423017614 376933537 /nfs/dbraw/zinc/93/35/37/376933537.db2.gz WUXBJQPEVSFMRU-IUODEOHRSA-N 1 0 277.368 2.258 20 5 CEBDRO Cc1c([C@H](C)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423186557 377098572 /nfs/dbraw/zinc/09/85/72/377098572.db2.gz KJHNZTPXWYTQCT-RYUDHWBXSA-N 1 0 263.341 2.306 20 5 CEBDRO C[NH2+]CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423223210 377138446 /nfs/dbraw/zinc/13/84/46/377138446.db2.gz FKIARLKAEBJNEO-MRXNPFEDSA-N 1 0 285.347 2.493 20 5 CEBDRO COC[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419263 377218781 /nfs/dbraw/zinc/21/87/81/377218781.db2.gz SLJPROUNOMTRRZ-MFKMUULPSA-N 1 0 264.325 2.454 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292883347 377330727 /nfs/dbraw/zinc/33/07/27/377330727.db2.gz YECHLFYHJNFNAH-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO CO[C@@H]1C[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000331098823 377280738 /nfs/dbraw/zinc/28/07/38/377280738.db2.gz DWYCCENDWFDHQB-NILFDRSVSA-N 1 0 294.351 2.310 20 5 CEBDRO COc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000293150483 377448102 /nfs/dbraw/zinc/44/81/02/377448102.db2.gz TWBNHERONRAONU-JTQLQIEISA-N 1 0 297.330 2.130 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293299376 377512213 /nfs/dbraw/zinc/51/22/13/377512213.db2.gz WJOBIXPIMGDKJS-CQSZACIVSA-N 1 0 294.351 2.211 20 5 CEBDRO CCOCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605786 249307264 /nfs/dbraw/zinc/30/72/64/249307264.db2.gz BXHUKALHVPWJQF-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313057632 249377367 /nfs/dbraw/zinc/37/73/67/249377367.db2.gz KOFVKKTUKFTSIU-CYBMUJFWSA-N 1 0 264.325 2.418 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313156516 249386963 /nfs/dbraw/zinc/38/69/63/249386963.db2.gz GTMMQNYSQVAAPI-XPSMFNQNSA-N 1 0 291.351 2.242 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000293795336 377762468 /nfs/dbraw/zinc/76/24/68/377762468.db2.gz XTTPBNGOFOWYLJ-LBPRGKRZSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898841 377814911 /nfs/dbraw/zinc/81/49/11/377814911.db2.gz WIRMKSHULAULJT-QWRGUYRKSA-N 1 0 289.339 2.113 20 5 CEBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000265970409 190219313 /nfs/dbraw/zinc/21/93/13/190219313.db2.gz BEXNETMWUYNLDV-UHFFFAOYSA-N 1 0 274.324 2.316 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000295913605 378352743 /nfs/dbraw/zinc/35/27/43/378352743.db2.gz FXLAYIAYHYWLQX-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000450612661 378499379 /nfs/dbraw/zinc/49/93/79/378499379.db2.gz KJZKCVYSASBAIK-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCn3ccnc32)c1 ZINC000296687844 378618554 /nfs/dbraw/zinc/61/85/54/378618554.db2.gz GZEISMFWIUUUDW-ZDUSSCGKSA-N 1 0 272.308 2.068 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000266154232 190235275 /nfs/dbraw/zinc/23/52/75/190235275.db2.gz LMUHKIJHOMMKKF-CQSZACIVSA-N 1 0 276.292 2.185 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298487574 378742414 /nfs/dbraw/zinc/74/24/14/378742414.db2.gz IABIGJYXBSTIRD-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000266200103 190239735 /nfs/dbraw/zinc/23/97/35/190239735.db2.gz JEQZWUIGWOYTRR-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000298706071 378807725 /nfs/dbraw/zinc/80/77/25/378807725.db2.gz JCEZPFXKLITUCF-JTQLQIEISA-N 1 0 280.328 2.057 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000266222691 190241302 /nfs/dbraw/zinc/24/13/02/190241302.db2.gz ZPCPJKWORQBQLH-LLVKDONJSA-N 1 0 295.339 2.134 20 5 CEBDRO Cn1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000298733078 378817437 /nfs/dbraw/zinc/81/74/37/378817437.db2.gz UJJLWWCBCPQHOT-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000453364088 378874299 /nfs/dbraw/zinc/87/42/99/378874299.db2.gz MNHJDSVBCDASEV-WCFLWFBJSA-N 1 0 291.351 2.208 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000347463579 218243449 /nfs/dbraw/zinc/24/34/49/218243449.db2.gz ZMWPBDYXBKZJCY-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000517683018 379374108 /nfs/dbraw/zinc/37/41/08/379374108.db2.gz UWNWKTFOTDWMPF-LBPRGKRZSA-N 1 0 298.346 2.427 20 5 CEBDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745086 190278284 /nfs/dbraw/zinc/27/82/84/190278284.db2.gz AMFOLEHGKKAAPQ-DGCLKSJQSA-N 1 0 291.351 2.255 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000303214950 379489655 /nfs/dbraw/zinc/48/96/55/379489655.db2.gz BLQNOGJYZMXWJX-WCQYABFASA-N 1 0 282.340 2.065 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854242 190284748 /nfs/dbraw/zinc/28/47/48/190284748.db2.gz JKGXRZHQTGQQPD-CHWSQXEVSA-N 1 0 296.367 2.279 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267078228 190301448 /nfs/dbraw/zinc/30/14/48/190301448.db2.gz XETLZOVXAFGLTP-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](COC)C1 ZINC000267003265 190296292 /nfs/dbraw/zinc/29/62/92/190296292.db2.gz DQUQEVRFYUFCMA-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000305249083 379696951 /nfs/dbraw/zinc/69/69/51/379696951.db2.gz IRPBTUXIUILYMT-SMDDNHRTSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@](O)(C2CC2)C1 ZINC000489189133 380165979 /nfs/dbraw/zinc/16/59/79/380165979.db2.gz PKHHXCFNYUTJQD-AWEZNQCLSA-N 1 0 280.299 2.081 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000543791964 380346739 /nfs/dbraw/zinc/34/67/39/380346739.db2.gz PVDURMJTSQGZRL-ZDUSSCGKSA-N 1 0 290.367 2.281 20 5 CEBDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268938317 190454152 /nfs/dbraw/zinc/45/41/52/190454152.db2.gz SJSXMVCWYAGICJ-NSHDSACASA-N 1 0 291.351 2.291 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078719 380867848 /nfs/dbraw/zinc/86/78/48/380867848.db2.gz YEGASPRJQSZJFY-OASPWFOLSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223781 194340406 /nfs/dbraw/zinc/34/04/06/194340406.db2.gz IINWHBIAQHYKGF-RISCZKNCSA-N 1 0 291.351 2.336 20 5 CEBDRO Cc1cc(NCC23CCC[NH+]2CCC3)ncc1[N+](=O)[O-] ZINC000280924196 195030227 /nfs/dbraw/zinc/03/02/27/195030227.db2.gz GJAFGYSFLFLFMD-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153843620 285091750 /nfs/dbraw/zinc/09/17/50/285091750.db2.gz RNWDLEZKSMADJP-NSHDSACASA-N 1 0 294.742 2.094 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000266306759 285130071 /nfs/dbraw/zinc/13/00/71/285130071.db2.gz ZMCOCYJNRUOFLL-AWEZNQCLSA-N 1 0 259.309 2.045 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000350454858 219023045 /nfs/dbraw/zinc/02/30/45/219023045.db2.gz GBJSIKDKBSGRNG-GHMZBOCLSA-N 1 0 252.314 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[NH+]1CCCC1)CCN2 ZINC000278337314 285146797 /nfs/dbraw/zinc/14/67/97/285146797.db2.gz ITMCSSUDKGJCLI-UHFFFAOYSA-N 1 0 276.340 2.071 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000271171864 285160286 /nfs/dbraw/zinc/16/02/86/285160286.db2.gz HSLAGXMJHLURCV-SJPZSHDVSA-N 1 0 287.363 2.292 20 5 CEBDRO COCC[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000081715078 177843552 /nfs/dbraw/zinc/84/35/52/177843552.db2.gz LOSCSGNRIPSPME-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO CCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)COC1 ZINC000393964239 262381632 /nfs/dbraw/zinc/38/16/32/262381632.db2.gz ZKTVKUUYJJPOSD-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO CCC[C@H]([NH2+][C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614432 195309075 /nfs/dbraw/zinc/30/90/75/195309075.db2.gz NGHWVJJCCLOTNA-ZFWWWQNUSA-N 1 0 296.367 2.423 20 5 CEBDRO CC[C@H]([NH2+][C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815912 195393330 /nfs/dbraw/zinc/39/33/30/195393330.db2.gz ZIFFGOWAAOCRQM-JSGCOSHPSA-N 1 0 282.340 2.033 20 5 CEBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190930707 533260184 /nfs/dbraw/zinc/26/01/84/533260184.db2.gz QPKZHDQOXSSEIH-YPMHNXCESA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000148937175 533345548 /nfs/dbraw/zinc/34/55/48/533345548.db2.gz UCIUZURJCZJGII-SNVBAGLBSA-N 1 0 279.340 2.160 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000190975065 130167941 /nfs/dbraw/zinc/16/79/41/130167941.db2.gz RXQSOIFZDUICJS-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193183296 130594960 /nfs/dbraw/zinc/59/49/60/130594960.db2.gz VYBNBCBJOMZODB-SECBINFHSA-N 1 0 299.758 2.334 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421016084 394464773 /nfs/dbraw/zinc/46/47/73/394464773.db2.gz XTILBQMFSXNVGC-NSHDSACASA-N 1 0 269.370 2.182 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015164119 394466726 /nfs/dbraw/zinc/46/67/26/394466726.db2.gz ZKNRVLBAZASQTI-LLVKDONJSA-N 1 0 294.311 2.399 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302823775 394477680 /nfs/dbraw/zinc/47/76/80/394477680.db2.gz VKMXEIKMJILXHH-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044724390 394507796 /nfs/dbraw/zinc/50/77/96/394507796.db2.gz MIDPZZIBTNZIGM-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812854 394557792 /nfs/dbraw/zinc/55/77/92/394557792.db2.gz DKJUMKYEYLIHCY-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250781602 394564885 /nfs/dbraw/zinc/56/48/85/394564885.db2.gz JKQDGSQLUOKGDV-NSHDSACASA-N 1 0 279.315 2.408 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421700067 394567559 /nfs/dbraw/zinc/56/75/59/394567559.db2.gz CYEJIFLMMLAVBY-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CCc1nn(C)c(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413349856 394532176 /nfs/dbraw/zinc/53/21/76/394532176.db2.gz UHHIKHZLDPVSDN-UHFFFAOYSA-N 1 0 295.387 2.177 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000355793953 394533388 /nfs/dbraw/zinc/53/33/88/394533388.db2.gz YHRMVXBAGHHGPF-UPJWGTAASA-N 1 0 293.367 2.123 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332651792 394639139 /nfs/dbraw/zinc/63/91/39/394639139.db2.gz CYELWDIYXMGUCY-LLVKDONJSA-N 1 0 266.345 2.339 20 5 CEBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267723397 394683627 /nfs/dbraw/zinc/68/36/27/394683627.db2.gz YXEZWOZUHYNMMS-GWCFXTLKSA-N 1 0 250.298 2.377 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000422774285 394774115 /nfs/dbraw/zinc/77/41/15/394774115.db2.gz WLIMUKHGJUCGKO-NSHDSACASA-N 1 0 291.351 2.139 20 5 CEBDRO COc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865141 394777770 /nfs/dbraw/zinc/77/77/70/394777770.db2.gz YYQUVDPMZMDRQD-AAEUAGOBSA-N 1 0 293.367 2.081 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360086325 394788931 /nfs/dbraw/zinc/78/89/31/394788931.db2.gz YLBNAGNMYYVJPD-QWRGUYRKSA-N 1 0 279.315 2.040 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414934784 394810915 /nfs/dbraw/zinc/81/09/15/394810915.db2.gz YEPDKDFAEOUBSZ-QWHCGFSZSA-N 1 0 293.367 2.353 20 5 CEBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422826434 394815151 /nfs/dbraw/zinc/81/51/51/394815151.db2.gz LLQLBSZEQYWDOC-NSHDSACASA-N 1 0 293.367 2.304 20 5 CEBDRO CC[C@H](NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423008588 394878665 /nfs/dbraw/zinc/87/86/65/394878665.db2.gz AMFMMDLDCDRQRK-GJZGRUSLSA-N 1 0 277.368 2.258 20 5 CEBDRO CC[NH2+][C@H](C)CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000414968898 394830602 /nfs/dbraw/zinc/83/06/02/394830602.db2.gz YRAYQELPWOVNEG-LLVKDONJSA-N 1 0 281.356 2.081 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)C12CCC[NH+]1CCC2 ZINC000415032372 394855983 /nfs/dbraw/zinc/85/59/83/394855983.db2.gz AFVGEXTZJMOSRS-UHFFFAOYSA-N 1 0 293.298 2.301 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000364299480 394892979 /nfs/dbraw/zinc/89/29/79/394892979.db2.gz DINYQICAKGMNDA-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384393 394908444 /nfs/dbraw/zinc/90/84/44/394908444.db2.gz QAHKNPVJAGSHJP-NQBHXWOUSA-N 1 0 263.341 2.386 20 5 CEBDRO CN(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000282299550 394916052 /nfs/dbraw/zinc/91/60/52/394916052.db2.gz RRFNAVWHBIRGKO-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415297306 394919436 /nfs/dbraw/zinc/91/94/36/394919436.db2.gz NKPNXGAAADEKTA-NSHDSACASA-N 1 0 294.355 2.316 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480006 394929341 /nfs/dbraw/zinc/92/93/41/394929341.db2.gz VXBSHJNYJOXZMU-PWSUYJOCSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1cc(NC(=O)NCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000415422670 394930977 /nfs/dbraw/zinc/93/09/77/394930977.db2.gz WYJGDDYCTZKPHE-LLVKDONJSA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415492509 394937365 /nfs/dbraw/zinc/93/73/65/394937365.db2.gz CFIGSYAVYRCOLU-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286389891 395021637 /nfs/dbraw/zinc/02/16/37/395021637.db2.gz OWFBAWRRVHPRBG-WCQYABFASA-N 1 0 290.367 2.240 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])CC ZINC000415762741 394961819 /nfs/dbraw/zinc/96/18/19/394961819.db2.gz NJIFLPKWTKBSQP-SNVBAGLBSA-N 1 0 280.328 2.016 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415768474 394962832 /nfs/dbraw/zinc/96/28/32/394962832.db2.gz VRSMVOKKWLVAND-JTQLQIEISA-N 1 0 294.355 2.406 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000285819836 394968847 /nfs/dbraw/zinc/96/88/47/394968847.db2.gz GTAHDQBMYKAKMZ-KOLCDFICSA-N 1 0 282.365 2.445 20 5 CEBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000288501919 395061352 /nfs/dbraw/zinc/06/13/52/395061352.db2.gz QIZIWGCSTOWDCN-UHFFFAOYSA-N 1 0 265.313 2.161 20 5 CEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000163261697 395082041 /nfs/dbraw/zinc/08/20/41/395082041.db2.gz PWYBLAJGWFPEAA-NEPJUHHUSA-N 1 0 266.345 2.350 20 5 CEBDRO C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163732694 395084205 /nfs/dbraw/zinc/08/42/05/395084205.db2.gz HQBOCGYFVPHLQE-WDEREUQCSA-N 1 0 292.339 2.043 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000156194980 395031004 /nfs/dbraw/zinc/03/10/04/395031004.db2.gz XBOAPYJSYKJABR-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423960644 395035188 /nfs/dbraw/zinc/03/51/88/395035188.db2.gz SPJQFMSBANDVAC-CYBMUJFWSA-N 1 0 293.367 2.260 20 5 CEBDRO Cc1sc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423982274 395040901 /nfs/dbraw/zinc/04/09/01/395040901.db2.gz IKZSJGPRMHMJTJ-AMIZOPFISA-N 1 0 297.380 2.022 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000346691442 395104265 /nfs/dbraw/zinc/10/42/65/395104265.db2.gz VTADSICAQXJYSP-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623492 395165347 /nfs/dbraw/zinc/16/53/47/395165347.db2.gz GXHSSCFCRWXUCK-WFASDCNBSA-N 1 0 293.367 2.175 20 5 CEBDRO CCn1cncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000418037514 395178307 /nfs/dbraw/zinc/17/83/07/395178307.db2.gz DJDAHVNLVNJZDM-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000182386147 395241113 /nfs/dbraw/zinc/24/11/13/395241113.db2.gz GAKGIGXUEZXISB-ZIAGYGMSSA-N 1 0 276.336 2.294 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000433797368 395249466 /nfs/dbraw/zinc/24/94/66/395249466.db2.gz VYVIIRCXVRLSNY-ZDUSSCGKSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000433145205 395202451 /nfs/dbraw/zinc/20/24/51/395202451.db2.gz FXYKWPWUECAEIG-KBPBESRZSA-N 1 0 293.367 2.393 20 5 CEBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292824261 395206551 /nfs/dbraw/zinc/20/65/51/395206551.db2.gz PFPDFVGBNDRYHZ-OAHLLOKOSA-N 1 0 290.367 2.099 20 5 CEBDRO COCC[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353063373 395286766 /nfs/dbraw/zinc/28/67/66/395286766.db2.gz SZEMKNCPZGZOEM-CYBMUJFWSA-N 1 0 282.340 2.044 20 5 CEBDRO COCC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000353063374 395286805 /nfs/dbraw/zinc/28/68/05/395286805.db2.gz SZEMKNCPZGZOEM-ZDUSSCGKSA-N 1 0 282.340 2.044 20 5 CEBDRO Cc1cnc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000408143458 395291818 /nfs/dbraw/zinc/29/18/18/395291818.db2.gz WBXZKJWWTMWGFJ-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1c(CN[C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420367450 395353781 /nfs/dbraw/zinc/35/37/81/395353781.db2.gz SDDIXDHBJMYZCN-CYBMUJFWSA-N 1 0 265.357 2.366 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000192128720 395373232 /nfs/dbraw/zinc/37/32/32/395373232.db2.gz HXWHBSGUUOPJIR-PWSUYJOCSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866985 395395735 /nfs/dbraw/zinc/39/57/35/395395735.db2.gz SZENQXQVTKEJJC-HZMBPMFUSA-N 1 0 264.325 2.333 20 5 CEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000434960315 395340521 /nfs/dbraw/zinc/34/05/21/395340521.db2.gz RHAXRTZSCUXHDB-LLVKDONJSA-N 1 0 296.758 2.316 20 5 CEBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](CC2CC2)CC1 ZINC000194085040 395424442 /nfs/dbraw/zinc/42/44/42/395424442.db2.gz JGXBMNBZQUPYRD-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000448058395 395509690 /nfs/dbraw/zinc/50/96/90/395509690.db2.gz NCZPDRUSJZGYIH-LBPRGKRZSA-N 1 0 295.387 2.108 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000566475685 395528914 /nfs/dbraw/zinc/52/89/14/395528914.db2.gz OAEFFJIPOOPRJQ-ABAIWWIYSA-N 1 0 298.346 2.452 20 5 CEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000567922866 395542957 /nfs/dbraw/zinc/54/29/57/395542957.db2.gz RVZWELUKCDWXGJ-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO [NH3+]C1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000573090181 395599859 /nfs/dbraw/zinc/59/98/59/395599859.db2.gz UCAPJXHXONOSLV-DAXSKMNVSA-N 1 0 286.291 2.486 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449508281 395551766 /nfs/dbraw/zinc/55/17/66/395551766.db2.gz UXSGCBITSIFMIB-FZMZJTMJSA-N 1 0 264.325 2.452 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000194360093 296516042 /nfs/dbraw/zinc/51/60/42/296516042.db2.gz DPYIREAYCGEKGT-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC000451197781 395592723 /nfs/dbraw/zinc/59/27/23/395592723.db2.gz OJIGJROXQDDKMP-NSHDSACASA-N 1 0 295.314 2.276 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000572930802 395594080 /nfs/dbraw/zinc/59/40/80/395594080.db2.gz VGIICKPYQGKDCM-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292798692 400321984 /nfs/dbraw/zinc/32/19/84/400321984.db2.gz YLBNAGNMYYVJPD-PHIMTYICSA-N 1 0 279.315 2.040 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)c(Cl)c1 ZINC000299923903 400326226 /nfs/dbraw/zinc/32/62/26/400326226.db2.gz SYSJBOQXVKGURA-FZMZJTMJSA-N 1 0 295.770 2.432 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135923 400365430 /nfs/dbraw/zinc/36/54/30/400365430.db2.gz ZAIDVHVJMGRFTD-PHIMTYICSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359924971 155170614 /nfs/dbraw/zinc/17/06/14/155170614.db2.gz PSISDALYYUQJOQ-JOYOIKCWSA-N 1 0 288.307 2.310 20 5 CEBDRO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000216170784 153290256 /nfs/dbraw/zinc/29/02/56/153290256.db2.gz FFXIKASICOUXJW-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO CCC[N@H+](CC)CCNc1ccncc1[N+](=O)[O-] ZINC000223249704 153318791 /nfs/dbraw/zinc/31/87/91/153318791.db2.gz BISWCQCETQJSFF-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO CCc1nn(C)c(NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000226428900 153334961 /nfs/dbraw/zinc/33/49/61/153334961.db2.gz BTEGEXGBDSCIFD-UHFFFAOYSA-N 1 0 283.376 2.033 20 5 CEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000228105455 153357390 /nfs/dbraw/zinc/35/73/90/153357390.db2.gz XXNLGYGBWJJMKD-IUCAKERBSA-N 1 0 272.732 2.497 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)CC(C)C ZINC000185344509 286383973 /nfs/dbraw/zinc/38/39/73/286383973.db2.gz HNEOSASKENRYJV-CQSZACIVSA-N 1 0 296.367 2.442 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH+](C)C)CC1 ZINC000360891510 155395536 /nfs/dbraw/zinc/39/55/36/155395536.db2.gz JYKALFKKLVADCC-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO CNC(=O)CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255759037 153748676 /nfs/dbraw/zinc/74/86/76/153748676.db2.gz ZWKXRGXOSIQNMC-YVMONPNESA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H](O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000354871200 154361188 /nfs/dbraw/zinc/36/11/88/154361188.db2.gz MCMCRJIZIUUPGL-LLVKDONJSA-N 1 0 252.314 2.188 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000359743372 155124150 /nfs/dbraw/zinc/12/41/50/155124150.db2.gz NPFGHPFFUABNAR-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000376020464 157176772 /nfs/dbraw/zinc/17/67/72/157176772.db2.gz GIGYOQIMMDSUIK-LBPRGKRZSA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1cc(NC[C@@H]2[C@H]3COC[C@H]32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000376184568 157193584 /nfs/dbraw/zinc/19/35/84/157193584.db2.gz MNQPBEPJNRDDEI-ZSOGYDGISA-N 1 0 299.330 2.178 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC1 ZINC000539048757 298243487 /nfs/dbraw/zinc/24/34/87/298243487.db2.gz CVOZCIALDOXOKD-LBPRGKRZSA-N 1 0 263.341 2.260 20 5 CEBDRO CCOc1cc(N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000168986174 165035538 /nfs/dbraw/zinc/03/55/38/165035538.db2.gz YRNZZXVAPQTDCA-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174818550 165120281 /nfs/dbraw/zinc/12/02/81/165120281.db2.gz GSNSNHPXLCVRPL-SNVBAGLBSA-N 1 0 264.329 2.054 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176262506 165159032 /nfs/dbraw/zinc/15/90/32/165159032.db2.gz YYEYFBPTROSOMS-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000177207292 165188133 /nfs/dbraw/zinc/18/81/33/165188133.db2.gz KTTUIQQLDPOLFH-NWDGAFQWSA-N 1 0 296.396 2.151 20 5 CEBDRO Cc1c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cnn1C ZINC000285333980 196253586 /nfs/dbraw/zinc/25/35/86/196253586.db2.gz OCJRULLFQAWEQY-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735718 172388611 /nfs/dbraw/zinc/38/86/11/172388611.db2.gz YJXXPKQJTUYEIV-ZWNOBZJWSA-N 1 0 280.324 2.261 20 5 CEBDRO Cn1cc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000285404155 196274390 /nfs/dbraw/zinc/27/43/90/196274390.db2.gz UFVNEHHYNQEZIF-UHFFFAOYSA-N 1 0 288.351 2.045 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000040623489 174355757 /nfs/dbraw/zinc/35/57/57/174355757.db2.gz NCKHNYSDDMAGCM-LLVKDONJSA-N 1 0 283.397 2.476 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000041069073 174469564 /nfs/dbraw/zinc/46/95/64/174469564.db2.gz LRWJJTCJWYYGHG-UHFFFAOYSA-N 1 0 292.339 2.378 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044518931 175191409 /nfs/dbraw/zinc/19/14/09/175191409.db2.gz OLXFIGMEHFGLJI-UHFFFAOYSA-N 1 0 285.369 2.116 20 5 CEBDRO C[NH+]1CCC(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000044526227 175191460 /nfs/dbraw/zinc/19/14/60/175191460.db2.gz AZENBXBOYLEMRN-UHFFFAOYSA-N 1 0 295.368 2.058 20 5 CEBDRO Cc1ccnc(N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000070496160 175956869 /nfs/dbraw/zinc/95/68/69/175956869.db2.gz OQHOKKAJBXNIGB-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078723345 177375503 /nfs/dbraw/zinc/37/55/03/177375503.db2.gz RIZPTTMJFZEHSI-LLVKDONJSA-N 1 0 291.351 2.288 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000518172479 260348366 /nfs/dbraw/zinc/34/83/66/260348366.db2.gz RNDSNQAOFHDFDF-SNVBAGLBSA-N 1 0 299.321 2.399 20 5 CEBDRO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000186017321 270247921 /nfs/dbraw/zinc/24/79/21/270247921.db2.gz YAJQGJKORTTZJI-LBPRGKRZSA-N 1 0 299.758 2.205 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189977246 270265773 /nfs/dbraw/zinc/26/57/73/270265773.db2.gz MGHJFEXKDAIOGP-TZMCWYRMSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)COC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707835 270279648 /nfs/dbraw/zinc/27/96/48/270279648.db2.gz YHFBENWXNRWPKH-CQSZACIVSA-N 1 0 296.367 2.060 20 5 CEBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000393609729 270343238 /nfs/dbraw/zinc/34/32/38/270343238.db2.gz DXAMOKBJBXBSPY-UHFFFAOYSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397398622 270353720 /nfs/dbraw/zinc/35/37/20/270353720.db2.gz HZHBIZQWRUAUDR-NTZNESFSSA-N 1 0 291.351 2.040 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423958554 270992976 /nfs/dbraw/zinc/99/29/76/270992976.db2.gz QSQKIPPIKRVOAA-SNVBAGLBSA-N 1 0 285.369 2.068 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423998823 271000820 /nfs/dbraw/zinc/00/08/20/271000820.db2.gz AWMKSPBUAWKMFY-SCZZXKLOSA-N 1 0 297.380 2.022 20 5 CEBDRO C[NH2+]CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000424034405 271002769 /nfs/dbraw/zinc/00/27/69/271002769.db2.gz QYVSXSLNFPBMQX-UHFFFAOYSA-N 1 0 291.307 2.023 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000430219848 271363056 /nfs/dbraw/zinc/36/30/56/271363056.db2.gz NZZDXMDQTAKUKU-FZMZJTMJSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000430232995 271364389 /nfs/dbraw/zinc/36/43/89/271364389.db2.gz JBLMEGNQTDZPTG-QMTHXVAHSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000430225109 271365714 /nfs/dbraw/zinc/36/57/14/271365714.db2.gz WXUCKKNMBHYDLP-CQSZACIVSA-N 1 0 294.351 2.339 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430245048 271366902 /nfs/dbraw/zinc/36/69/02/271366902.db2.gz ZTCGDJZETTWNLE-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000430543130 271388123 /nfs/dbraw/zinc/38/81/23/271388123.db2.gz DGGDBXYRQJGDLN-ZDUSSCGKSA-N 1 0 269.320 2.197 20 5 CEBDRO C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000430565463 271392148 /nfs/dbraw/zinc/39/21/48/271392148.db2.gz AHHTYDABITUMBE-WFASDCNBSA-N 1 0 293.367 2.033 20 5 CEBDRO CN(C)C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441247243 271797614 /nfs/dbraw/zinc/79/76/14/271797614.db2.gz JXZLVGHYGSRKOO-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000373957766 273872417 /nfs/dbraw/zinc/87/24/17/273872417.db2.gz JISJYEUIVJFBLH-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086467287 274331361 /nfs/dbraw/zinc/33/13/61/274331361.db2.gz ZHIJXTVRWOMMDA-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]1C[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054374712 274604653 /nfs/dbraw/zinc/60/46/53/274604653.db2.gz GZOJMLRZJIVKHJ-VIFPVBQESA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000135238529 274680771 /nfs/dbraw/zinc/68/07/71/274680771.db2.gz MBKGRRDMYRUNIJ-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC([NH+](C)C)C1 ZINC000302632445 274723041 /nfs/dbraw/zinc/72/30/41/274723041.db2.gz CFZOQBBGXKZAFS-UHFFFAOYSA-N 1 0 269.732 2.307 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575082 274763592 /nfs/dbraw/zinc/76/35/92/274763592.db2.gz AHQDCSAJFDOINL-QWRGUYRKSA-N 1 0 277.324 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261876482 275035580 /nfs/dbraw/zinc/03/55/80/275035580.db2.gz ZURGYKHLOFIFGY-ZWNOBZJWSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@H+]1CC=CCC1)CCN2 ZINC000280356726 275038627 /nfs/dbraw/zinc/03/86/27/275038627.db2.gz XCHATKGRCXBDCN-UHFFFAOYSA-N 1 0 288.351 2.237 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188581 276103916 /nfs/dbraw/zinc/10/39/16/276103916.db2.gz JSMHEMNUTRVNSW-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCCC1 ZINC000091554101 276722196 /nfs/dbraw/zinc/72/21/96/276722196.db2.gz XNKNYELLGQEGDY-UHFFFAOYSA-N 1 0 281.360 2.017 20 5 CEBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071311567 276986464 /nfs/dbraw/zinc/98/64/64/276986464.db2.gz NTIKSKWRFRKJFJ-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO COc1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000185339415 278016382 /nfs/dbraw/zinc/01/63/82/278016382.db2.gz NCQPZUHQQFGOES-GFCCVEGCSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000189291264 278355377 /nfs/dbraw/zinc/35/53/77/278355377.db2.gz AUSUKQGCQDDFIA-SUNKGSAMSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353459424 278366197 /nfs/dbraw/zinc/36/61/97/278366197.db2.gz HHRXZDRWIJDIQP-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO C[C@@H]1CCC[C@@](CNc2c([N+](=O)[O-])ncn2C)([NH+](C)C)C1 ZINC000040669993 278504886 /nfs/dbraw/zinc/50/48/86/278504886.db2.gz QCBQOQNPAIODPX-BXUZGUMPSA-N 1 0 295.387 2.251 20 5 CEBDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000159001849 279275367 /nfs/dbraw/zinc/27/53/67/279275367.db2.gz RDBDBPZXBQQPBF-GFCCVEGCSA-N 1 0 274.324 2.360 20 5 CEBDRO C[C@H](Cc1ccccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000188247546 279381552 /nfs/dbraw/zinc/38/15/52/279381552.db2.gz KUHIUISGCIOVSD-LLVKDONJSA-N 1 0 292.314 2.151 20 5 CEBDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135106206 280037655 /nfs/dbraw/zinc/03/76/55/280037655.db2.gz ADKPCZLFDCMBMR-LLVKDONJSA-N 1 0 279.340 2.160 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000216267890 280208510 /nfs/dbraw/zinc/20/85/10/280208510.db2.gz LHJBNNXTWWZWJV-YFHOEESVSA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340790298 280583924 /nfs/dbraw/zinc/58/39/24/280583924.db2.gz XQKRMMNYPMJLHE-RFAUZJTJSA-N 1 0 287.319 2.268 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397752212 280683603 /nfs/dbraw/zinc/68/36/03/280683603.db2.gz DXYJJKIWGSMIST-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH+](C)C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000419008322 280767388 /nfs/dbraw/zinc/76/73/88/280767388.db2.gz LFPRYEDACWDTOY-UHFFFAOYSA-N 1 0 276.340 2.069 20 5 CEBDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422946410 280975614 /nfs/dbraw/zinc/97/56/14/280975614.db2.gz ONHVAMVOKMQFCE-KBPBESRZSA-N 1 0 263.341 2.344 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000423470369 281050905 /nfs/dbraw/zinc/05/09/05/281050905.db2.gz PGNQLLWYBVOOIR-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000423479195 281053512 /nfs/dbraw/zinc/05/35/12/281053512.db2.gz LYUVGXKSESKTSK-GXFFZTMASA-N 1 0 299.321 2.113 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717693 281081767 /nfs/dbraw/zinc/08/17/67/281081767.db2.gz AVWQJINMFLYRRU-LLVKDONJSA-N 1 0 291.351 2.213 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423719205 281082273 /nfs/dbraw/zinc/08/22/73/281082273.db2.gz DWZHZUYKKCWCRG-WDEREUQCSA-N 1 0 291.351 2.069 20 5 CEBDRO COc1cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000429312127 281233180 /nfs/dbraw/zinc/23/31/80/281233180.db2.gz OBBGGJHQECOFIQ-GHMZBOCLSA-N 1 0 294.351 2.337 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086467288 288327731 /nfs/dbraw/zinc/32/77/31/288327731.db2.gz ZHIJXTVRWOMMDA-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCC2)n1 ZINC000447579884 281840288 /nfs/dbraw/zinc/84/02/88/281840288.db2.gz MFDRQIMNKYXMCB-NEPJUHHUSA-N 1 0 264.329 2.417 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH2+]C(C)C ZINC000151799462 289067440 /nfs/dbraw/zinc/06/74/40/289067440.db2.gz LFJQXJQJIFLPIY-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382315 292723613 /nfs/dbraw/zinc/72/36/13/292723613.db2.gz JIQYPQQBHXEQIU-RISCZKNCSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1cccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487073701 290330475 /nfs/dbraw/zinc/33/04/75/290330475.db2.gz PXMWJAXLIQJTPG-CYBMUJFWSA-N 1 0 293.367 2.380 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283419 290387014 /nfs/dbraw/zinc/38/70/14/290387014.db2.gz KCKQXFRSHVPUJF-OLZOCXBDSA-N 1 0 275.352 2.373 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C=C\C[NH+](C)C ZINC000491891090 290544781 /nfs/dbraw/zinc/54/47/81/290544781.db2.gz IKMFBOVMOGFUAK-WAYWQWQTSA-N 1 0 277.324 2.268 20 5 CEBDRO Cn1cccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537304244 298208361 /nfs/dbraw/zinc/20/83/61/298208361.db2.gz NCYKHWKDCMRIRR-UHFFFAOYSA-N 1 0 275.308 2.102 20 5 CEBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000537968171 298222903 /nfs/dbraw/zinc/22/29/03/298222903.db2.gz SZXPDHXIOPFGIH-DOMZBBRYSA-N 1 0 294.351 2.378 20 5 CEBDRO COc1cc(C[N@H+](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000538709048 298235294 /nfs/dbraw/zinc/23/52/94/298235294.db2.gz JDSNSMBRFYHONN-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO C[C@H]1CC[N@H+](CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000539704077 298252135 /nfs/dbraw/zinc/25/21/35/298252135.db2.gz HWDOKHCCOPHORK-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CO1 ZINC000563122968 298739611 /nfs/dbraw/zinc/73/96/11/298739611.db2.gz BAPONVDEJJFACN-XQHKEYJVSA-N 1 0 294.355 2.042 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCCO ZINC000567248393 299045898 /nfs/dbraw/zinc/04/58/98/299045898.db2.gz BZMJZUJSTBXQNY-ZDUSSCGKSA-N 1 0 264.325 2.334 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)CC1 ZINC000272342970 301865953 /nfs/dbraw/zinc/86/59/53/301865953.db2.gz PDBIIOGUTSCDQV-LLVKDONJSA-N 1 0 264.325 2.421 20 5 CEBDRO COC(C)(C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000532086573 313339289 /nfs/dbraw/zinc/33/92/89/313339289.db2.gz OMTKXSDRIOVMPL-UHFFFAOYSA-N 1 0 266.341 2.494 20 5 CEBDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000545292455 313485685 /nfs/dbraw/zinc/48/56/85/313485685.db2.gz BCJQEGAWHHLGII-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[S@@](C)=O ZINC000563415589 313737494 /nfs/dbraw/zinc/73/74/94/313737494.db2.gz DJTCDSQDPDRVBX-LITPITGPSA-N 1 0 296.392 2.329 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000571192861 314076941 /nfs/dbraw/zinc/07/69/41/314076941.db2.gz UQJXHIFEWLOYOX-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207548 314078658 /nfs/dbraw/zinc/07/86/58/314078658.db2.gz BUAIGYBRQBXHQT-DOMZBBRYSA-N 1 0 277.368 2.367 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000571774543 314105542 /nfs/dbraw/zinc/10/55/42/314105542.db2.gz JHGKNTKNGAEYBF-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]12 ZINC000573098926 314141098 /nfs/dbraw/zinc/14/10/98/314141098.db2.gz TVNDRCTVLWTCBB-RWMBFGLXSA-N 1 0 298.346 2.317 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnccn2)cc1 ZINC000574135943 314189040 /nfs/dbraw/zinc/18/90/40/314189040.db2.gz BJYLAQZDIFGTEA-UHFFFAOYSA-N 1 0 286.335 2.497 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000576128802 314245840 /nfs/dbraw/zinc/24/58/40/314245840.db2.gz DJVFKBQFIVRAHG-NWDGAFQWSA-N 1 0 293.367 2.467 20 5 CEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842355 314316463 /nfs/dbraw/zinc/31/64/63/314316463.db2.gz GNYMMAYLSHHUCO-ZWNOBZJWSA-N 1 0 294.330 2.192 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577109700 314342615 /nfs/dbraw/zinc/34/26/15/314342615.db2.gz JWFJHPAZLVHKPU-DTWKUNHWSA-N 1 0 299.758 2.033 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)CC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000578246972 314462207 /nfs/dbraw/zinc/46/22/07/314462207.db2.gz HZIJIOONMVQSNJ-LLVKDONJSA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000578759848 314514456 /nfs/dbraw/zinc/51/44/56/314514456.db2.gz MUOWHUYWLRVAQP-QWHCGFSZSA-N 1 0 292.335 2.033 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000579334318 314573821 /nfs/dbraw/zinc/57/38/21/314573821.db2.gz ARPDQRVUDOUPEY-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1c(NC(=O)N(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000182885595 321702757 /nfs/dbraw/zinc/70/27/57/321702757.db2.gz LTXXDTSFWBHYSH-UHFFFAOYSA-N 1 0 294.355 2.319 20 5 CEBDRO C[C@@H](c1nc(C2([NH3+])CCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000581190155 322376505 /nfs/dbraw/zinc/37/65/05/322376505.db2.gz KEVVITFCSYCXPX-SECBINFHSA-N 1 0 288.307 2.468 20 5 CEBDRO O=C(CC[NH2+]C[C@@H]1CC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000581721566 322419129 /nfs/dbraw/zinc/41/91/29/322419129.db2.gz CJTSDWPGMGMNJG-NSHDSACASA-N 1 0 289.335 2.313 20 5 CEBDRO CC(C)([NH3+])CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423288486 517404129 /nfs/dbraw/zinc/40/41/29/517404129.db2.gz SKSATALFAHJPSM-CYBMUJFWSA-N 1 0 263.341 2.299 20 5 CEBDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049400748 519610731 /nfs/dbraw/zinc/61/07/31/519610731.db2.gz LRSIXDRWJYOFTA-NSHDSACASA-N 1 0 279.340 2.112 20 5 CEBDRO CC(C)OCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049259541 519768054 /nfs/dbraw/zinc/76/80/54/519768054.db2.gz XOELYFQWHCPKKK-UHFFFAOYSA-N 1 0 252.314 2.152 20 5 CEBDRO CCCC[N@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347040 520523281 /nfs/dbraw/zinc/52/32/81/520523281.db2.gz YJXJEFGZAFECHL-UHFFFAOYSA-N 1 0 266.341 2.232 20 5 CEBDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278533511 521652602 /nfs/dbraw/zinc/65/26/02/521652602.db2.gz UJAQGFWDIXBKTN-QGLTVNCISA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026896 534613925 /nfs/dbraw/zinc/61/39/25/534613925.db2.gz KHYPVHQLGOVGNN-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412029942 534613148 /nfs/dbraw/zinc/61/31/48/534613148.db2.gz OTHGVYQIOJMWIA-LBPRGKRZSA-N 1 0 287.323 2.011 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000068449936 523914773 /nfs/dbraw/zinc/91/47/73/523914773.db2.gz MVWCYYQFYGJDBF-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054060424 524046005 /nfs/dbraw/zinc/04/60/05/524046005.db2.gz AMPQHLUMFBZVJH-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050162433 524209113 /nfs/dbraw/zinc/20/91/13/524209113.db2.gz NKRGCPQWTMDLIY-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc(C[NH2+]CCCn2cccn2)cc1[N+](=O)[O-] ZINC000067186374 524574630 /nfs/dbraw/zinc/57/46/30/524574630.db2.gz AEYNJDHUPRDZPN-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913378 524760509 /nfs/dbraw/zinc/76/05/09/524760509.db2.gz FYPUAYGAGPIPGS-QMMMGPOBSA-N 1 0 295.368 2.199 20 5 CEBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000050162411 525642126 /nfs/dbraw/zinc/64/21/26/525642126.db2.gz OQVQKJUNQIDQOS-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815947 525729055 /nfs/dbraw/zinc/72/90/55/525729055.db2.gz ZDNVLSCVHSIXAF-CHWSQXEVSA-N 1 0 291.351 2.037 20 5 CEBDRO Cn1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000148979162 527193976 /nfs/dbraw/zinc/19/39/76/527193976.db2.gz QTPHWTJUUCWJGZ-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CC(C)([NH3+])CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000096483004 527260150 /nfs/dbraw/zinc/26/01/50/527260150.db2.gz SGDBBAQEBQWHCW-UHFFFAOYSA-N 1 0 260.297 2.292 20 5 CEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451652 527471352 /nfs/dbraw/zinc/47/13/52/527471352.db2.gz VTTGSFMSOQUXHE-ZDUSSCGKSA-N 1 0 286.335 2.318 20 5 CEBDRO CC(C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174883154 528388876 /nfs/dbraw/zinc/38/88/76/528388876.db2.gz YTIKDXNUBNYAOO-LBPRGKRZSA-N 1 0 266.345 2.159 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000313155839 536009850 /nfs/dbraw/zinc/00/98/50/536009850.db2.gz NSUBUTWXHWDRJT-UWVGGRQHSA-N 1 0 258.343 2.295 20 5 CEBDRO CCc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262583555 536162211 /nfs/dbraw/zinc/16/22/11/536162211.db2.gz MAYFLTSJXAJMPE-UHFFFAOYSA-N 1 0 293.367 2.214 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000089898869 536371801 /nfs/dbraw/zinc/37/18/01/536371801.db2.gz HZVDFWXADGZRMK-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268995 567924159 /nfs/dbraw/zinc/92/41/59/567924159.db2.gz AZXKKJXZEHVNGI-KBPBESRZSA-N 1 0 276.336 2.418 20 5 CEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000750041104 575244768 /nfs/dbraw/zinc/24/47/68/575244768.db2.gz RLODYRNMEOBTSI-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CCc2ccco2)c1[N+](=O)[O-] ZINC000892441172 625450987 /nfs/dbraw/zinc/45/09/87/625450987.db2.gz JKTFIQGKBQKCBE-UHFFFAOYSA-N 1 0 292.291 2.234 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCCCCC[NH+]1CCCCC1 ZINC000892461669 625525596 /nfs/dbraw/zinc/52/55/96/625525596.db2.gz HAGMCJPXMMQOGH-UHFFFAOYSA-N 1 0 295.387 2.396 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000890886692 623043115 /nfs/dbraw/zinc/04/31/15/623043115.db2.gz GDYGDDLPQMWZLT-UHFFFAOYSA-N 1 0 299.396 2.316 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430963 623327797 /nfs/dbraw/zinc/32/77/97/623327797.db2.gz CJNOELQXXMBHDK-SNVBAGLBSA-N 1 0 258.705 2.109 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC000933398133 623712938 /nfs/dbraw/zinc/71/29/38/623712938.db2.gz KMOSTTPZWABOBI-UHFFFAOYSA-N 1 0 287.319 2.370 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1c([N+](=O)[O-])cnn1C ZINC000891572317 623795886 /nfs/dbraw/zinc/79/58/86/623795886.db2.gz DAGFARFNJCUKPB-NSHDSACASA-N 1 0 281.360 2.005 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934122423 624244420 /nfs/dbraw/zinc/24/44/20/624244420.db2.gz TVVBAFIHCQKRBA-AAEUAGOBSA-N 1 0 291.307 2.345 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124016 624246170 /nfs/dbraw/zinc/24/61/70/624246170.db2.gz GSDDEWIFNKPZPE-CHWSQXEVSA-N 1 0 250.298 2.204 20 5 CEBDRO CC1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158292822 624511950 /nfs/dbraw/zinc/51/19/50/624511950.db2.gz NUZBHIYDJNDYRI-QEIKUCIBSA-N 1 0 250.298 2.016 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1OC ZINC000050373619 624564305 /nfs/dbraw/zinc/56/43/05/624564305.db2.gz UQOZTHIXOFJGKO-GXTWGEPZSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051819816 624602627 /nfs/dbraw/zinc/60/26/27/624602627.db2.gz OTUXZARZUKWEDL-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO Cc1c(C[NH2+][C@]2(C)CCOC2)cccc1[N+](=O)[O-] ZINC000161781135 624957439 /nfs/dbraw/zinc/95/74/39/624957439.db2.gz HDFHLJLYURAQTC-CYBMUJFWSA-N 1 0 250.298 2.172 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000177920857 625913390 /nfs/dbraw/zinc/91/33/90/625913390.db2.gz AWMHEWZZJFPCGJ-UHFFFAOYSA-N 1 0 284.287 2.165 20 5 CEBDRO COCCCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892750179 627747543 /nfs/dbraw/zinc/74/75/43/627747543.db2.gz ROAMCXFTHBNPHQ-UHFFFAOYSA-N 1 0 298.339 2.215 20 5 CEBDRO CC(C)[NH+](CCCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC000892764242 627756970 /nfs/dbraw/zinc/75/69/70/627756970.db2.gz VEBZHHNIFGXJDK-UHFFFAOYSA-N 1 0 283.376 2.249 20 5 CEBDRO Cc1ccncc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162751664 628518936 /nfs/dbraw/zinc/51/89/36/628518936.db2.gz ZEEPYCPEDLPUAW-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000931943214 628930834 /nfs/dbraw/zinc/93/08/34/628930834.db2.gz YNMGIBRBKANLEZ-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000261596247 628943294 /nfs/dbraw/zinc/94/32/94/628943294.db2.gz GUYAXSHDVJBAGC-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000261617878 628949160 /nfs/dbraw/zinc/94/91/60/628949160.db2.gz UIHGVBNIXUSJKY-ZDUSSCGKSA-N 1 0 283.759 2.419 20 5 CEBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840975020 628976867 /nfs/dbraw/zinc/97/68/67/628976867.db2.gz RZNOKAPPJZJXBA-VIFPVBQESA-N 1 0 299.758 2.251 20 5 CEBDRO Cc1cc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893938749 629053708 /nfs/dbraw/zinc/05/37/08/629053708.db2.gz FQDNAAOOQSFWNG-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000841103163 629123236 /nfs/dbraw/zinc/12/32/36/629123236.db2.gz MRKODCLISDSNBW-VIFPVBQESA-N 1 0 298.730 2.074 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000794949765 629368088 /nfs/dbraw/zinc/36/80/88/629368088.db2.gz SIGZAXJWILIRJM-QMTHXVAHSA-N 1 0 295.770 2.384 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000794949047 629368958 /nfs/dbraw/zinc/36/89/58/629368958.db2.gz NWRIKRLSOPZELR-IINYFYTJSA-N 1 0 295.770 2.384 20 5 CEBDRO C[NH+]1C[C@]2(C)CN(c3ccsc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894802243 629648449 /nfs/dbraw/zinc/64/84/49/629648449.db2.gz MFHSEOSRRYWCCO-CHWSQXEVSA-N 1 0 281.381 2.434 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000895737664 630327313 /nfs/dbraw/zinc/32/73/13/630327313.db2.gz QVFFMEPHXOWBMT-VHSXEESVSA-N 1 0 265.313 2.108 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000895737662 630327723 /nfs/dbraw/zinc/32/77/23/630327723.db2.gz QVFFMEPHXOWBMT-NXEZZACHSA-N 1 0 265.313 2.108 20 5 CEBDRO C[C@H](CNc1cc[nH+]cc1CO)c1ccccc1[N+](=O)[O-] ZINC000896794153 630671477 /nfs/dbraw/zinc/67/14/77/630671477.db2.gz RHTIKKNJBGJBGL-LLVKDONJSA-N 1 0 287.319 2.120 20 5 CEBDRO Cc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(F)cc1[N+](=O)[O-] ZINC000896912754 630796445 /nfs/dbraw/zinc/79/64/45/630796445.db2.gz GKYKNBRYURNIAK-ABAIWWIYSA-N 1 0 293.342 2.430 20 5 CEBDRO CSCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799198500 630996232 /nfs/dbraw/zinc/99/62/32/630996232.db2.gz GLNNJNKHWXKDQE-CYBMUJFWSA-N 1 0 284.381 2.313 20 5 CEBDRO CC1(C)CC[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000897249091 631016738 /nfs/dbraw/zinc/01/67/38/631016738.db2.gz LRGBMCXSYUCAPP-UHFFFAOYSA-N 1 0 278.356 2.321 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1 ZINC000902853026 634853523 /nfs/dbraw/zinc/85/35/23/634853523.db2.gz HCIZPJLCMXQEDW-RFBLXINOSA-N 1 0 288.347 2.498 20 5 CEBDRO C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461740 631531872 /nfs/dbraw/zinc/53/18/72/631531872.db2.gz WURPFAFGHQCJPQ-IJLUTSLNSA-N 1 0 264.325 2.465 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420856 635632881 /nfs/dbraw/zinc/63/28/81/635632881.db2.gz IPVJGFZDPIBGHM-ACYLFWIKSA-N 1 0 287.363 2.149 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000904420814 635633110 /nfs/dbraw/zinc/63/31/10/635633110.db2.gz GZCHRGXVIIIING-LBPRGKRZSA-N 1 0 292.339 2.023 20 5 CEBDRO C[NH+](C)C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCC1 ZINC000804637282 631716936 /nfs/dbraw/zinc/71/69/36/631716936.db2.gz IXVMEJZJDVALII-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000925305347 631759614 /nfs/dbraw/zinc/75/96/14/631759614.db2.gz BWXJHDFOMRBWEA-JQWIXIFHSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925306117 631761960 /nfs/dbraw/zinc/76/19/60/631761960.db2.gz GPZDOQKTECRVQX-JQWIXIFHSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+](C)C)C2)c1C ZINC000897667021 631860745 /nfs/dbraw/zinc/86/07/45/631860745.db2.gz IBPFFUAZHGUBBK-UHFFFAOYSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc(CN(C)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000840149531 632024547 /nfs/dbraw/zinc/02/45/47/632024547.db2.gz DWWIIFQEQSRQGH-UHFFFAOYSA-N 1 0 274.324 2.498 20 5 CEBDRO Cc1c(CNC(=[NH2+])N[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000899271380 632767933 /nfs/dbraw/zinc/76/79/33/632767933.db2.gz CCVFJGNAZVWFQR-SNVBAGLBSA-N 1 0 276.340 2.316 20 5 CEBDRO [NH3+][C@H]1CCc2cc(-c3ccc([N+](=O)[O-])nc3)ccc2C1 ZINC000899323008 632784428 /nfs/dbraw/zinc/78/44/28/632784428.db2.gz LSAPPRCIIBYZRZ-AWEZNQCLSA-N 1 0 269.304 2.473 20 5 CEBDRO O=c1c2ccccc2n(CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000899629424 632926454 /nfs/dbraw/zinc/92/64/54/632926454.db2.gz FQINDAFMAQAKMP-UHFFFAOYSA-N 1 0 287.319 2.052 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000817131920 633590613 /nfs/dbraw/zinc/59/06/13/633590613.db2.gz VLQQEEAMVAQQGB-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO [NH3+][C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907733 633767198 /nfs/dbraw/zinc/76/71/98/633767198.db2.gz SYTCAGZNBNZRPO-NWDGAFQWSA-N 1 0 269.732 2.218 20 5 CEBDRO CC(C)(C)OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984495 634029706 /nfs/dbraw/zinc/02/97/06/634029706.db2.gz AAHSFINFMIRHPJ-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO CC(C)(CO)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819163402 634089592 /nfs/dbraw/zinc/08/95/92/634089592.db2.gz JQTJHIQWDRLFET-CQSZACIVSA-N 1 0 296.367 2.017 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819202488 634103128 /nfs/dbraw/zinc/10/31/28/634103128.db2.gz AZDQGWQVFWWHMQ-TYNCELHUSA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccoc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330011 634142733 /nfs/dbraw/zinc/14/27/33/634142733.db2.gz YKYDIQZAUWGTJX-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000819356911 634153385 /nfs/dbraw/zinc/15/33/85/634153385.db2.gz ITCITQSKMCICSR-AEGPPILISA-N 1 0 276.336 2.264 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)cc([N+](=O)[O-])c1 ZINC000903148202 634996091 /nfs/dbraw/zinc/99/60/91/634996091.db2.gz QPYWVNUWLWVKKR-DCAQKATOSA-N 1 0 282.340 2.413 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C2CC(CCO)C2)cc([N+](=O)[O-])c1 ZINC000903332723 635078923 /nfs/dbraw/zinc/07/89/23/635078923.db2.gz KUWLGNLXSBQCEJ-ZBOXLXRLSA-N 1 0 294.351 2.415 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903403451 635111562 /nfs/dbraw/zinc/11/15/62/635111562.db2.gz CLCSKFHXRXVWTN-IINYFYTJSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(-c2noc(CC[C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269165 635119412 /nfs/dbraw/zinc/11/94/12/635119412.db2.gz DASCQRVOXAUQDN-MRVPVSSYSA-N 1 0 276.296 2.233 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000903799095 635275745 /nfs/dbraw/zinc/27/57/45/635275745.db2.gz QOCXAPIYVLQKKW-IUODEOHRSA-N 1 0 293.342 2.437 20 5 CEBDRO Cc1ccc(CN2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903870613 635319063 /nfs/dbraw/zinc/31/90/63/635319063.db2.gz ODOGNILROSKXGX-HNNXBMFYSA-N 1 0 275.352 2.231 20 5 CEBDRO C[C@@H]([NH2+]Cc1cnc(N)s1)c1ccc([N+](=O)[O-])cc1 ZINC000903988220 635406460 /nfs/dbraw/zinc/40/64/60/635406460.db2.gz PDUHKSHOIDEPDN-MRVPVSSYSA-N 1 0 278.337 2.484 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNCC[N+](=O)[O-])C1 ZINC000905046203 635786491 /nfs/dbraw/zinc/78/64/91/635786491.db2.gz ORASBRAMDIKSJT-AWEZNQCLSA-N 1 0 291.395 2.285 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000905029529 635793469 /nfs/dbraw/zinc/79/34/69/635793469.db2.gz XNKLVUJQFWRZPC-AWEZNQCLSA-N 1 0 297.786 2.343 20 5 CEBDRO Cc1ccc([C@H](Cn2ccnc2)NCC[N+](=O)[O-])c(C)c1 ZINC000905179186 635851277 /nfs/dbraw/zinc/85/12/77/635851277.db2.gz HRIZVZIOJMANRC-HNNXBMFYSA-N 1 0 288.351 2.108 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000827501512 636338792 /nfs/dbraw/zinc/33/87/92/636338792.db2.gz WZIUPMCFPVQONM-WAAGHKOSSA-N 1 0 298.726 2.289 20 5 CEBDRO C[C@H](C[NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905644498 636379743 /nfs/dbraw/zinc/37/97/43/636379743.db2.gz RECSWQDPPVOOLN-SECBINFHSA-N 1 0 287.157 2.419 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cn1 ZINC000906170225 636632877 /nfs/dbraw/zinc/63/28/77/636632877.db2.gz ABWZFJHLUARYOV-ZDUSSCGKSA-N 1 0 270.292 2.476 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000831063338 637225482 /nfs/dbraw/zinc/22/54/82/637225482.db2.gz YOEYMYWOLYRDLZ-GWCFXTLKSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834860011 637973502 /nfs/dbraw/zinc/97/35/02/637973502.db2.gz MUUBMXNSZNFHKN-SNVBAGLBSA-N 1 0 277.324 2.174 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000150239082 638054989 /nfs/dbraw/zinc/05/49/89/638054989.db2.gz LWCPJNVWAXQTKB-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000876869429 650465465 /nfs/dbraw/zinc/46/54/65/650465465.db2.gz FRKYQSINENRINM-VXGBXAGGSA-N 1 0 291.351 2.069 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000924852672 639177884 /nfs/dbraw/zinc/17/78/84/639177884.db2.gz KLHOGIMHNNYAFE-CQSZACIVSA-N 1 0 292.335 2.023 20 5 CEBDRO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000157920200 639549749 /nfs/dbraw/zinc/54/97/49/639549749.db2.gz JSIBNASJQDKVEQ-OZMOWAPCSA-N 1 0 282.365 2.157 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010579 639617452 /nfs/dbraw/zinc/61/74/52/639617452.db2.gz GIFZDKRPOXBLNC-BQBZGAKWSA-N 1 0 286.719 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000841033600 639626924 /nfs/dbraw/zinc/62/69/24/639626924.db2.gz XAAOGILTRAYMKF-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)NC1CC[NH2+]CC1 ZINC000841102599 639663135 /nfs/dbraw/zinc/66/31/35/639663135.db2.gz GAHZEPCSGBKHPH-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CC1 ZINC000842047371 639930227 /nfs/dbraw/zinc/93/02/27/639930227.db2.gz WPOJSYSJSARANZ-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO C[C@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877025735 650536549 /nfs/dbraw/zinc/53/65/49/650536549.db2.gz ULXNADRBDZUMST-HHISKICNSA-N 1 0 264.329 2.273 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000094750910 639959954 /nfs/dbraw/zinc/95/99/54/639959954.db2.gz PPLWNTCITOPJTE-UONOGXRCSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@H](C[NH3+])N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843052290 640255979 /nfs/dbraw/zinc/25/59/79/640255979.db2.gz SBJUHMYTVBYCNX-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO CCNCc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843141095 640301485 /nfs/dbraw/zinc/30/14/85/640301485.db2.gz IKQDZPLNVRJWEH-UHFFFAOYSA-N 1 0 290.323 2.413 20 5 CEBDRO CC(C)([NH3+])CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171041 640322889 /nfs/dbraw/zinc/32/28/89/640322889.db2.gz RAWFZKLBOIKQJC-UHFFFAOYSA-N 1 0 290.323 2.239 20 5 CEBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000877097141 650570507 /nfs/dbraw/zinc/57/05/07/650570507.db2.gz BJHSAMZGBHTUSS-SNVBAGLBSA-N 1 0 293.367 2.312 20 5 CEBDRO [NH3+]CCCCCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238292 640364437 /nfs/dbraw/zinc/36/44/37/640364437.db2.gz OAYOUSZLLAXWJW-UHFFFAOYSA-N 1 0 280.284 2.299 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324259415 640378915 /nfs/dbraw/zinc/37/89/15/640378915.db2.gz CFJULRLDOUKUMU-KGLIPLIRSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000915622876 640594171 /nfs/dbraw/zinc/59/41/71/640594171.db2.gz DMYFMCJOCNCPEV-ZDUSSCGKSA-N 1 0 293.367 2.219 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)NCC[NH+](C)C ZINC000916112308 640734837 /nfs/dbraw/zinc/73/48/37/640734837.db2.gz QPWUEEVWNSAJMP-UHFFFAOYSA-N 1 0 296.396 2.060 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1 ZINC000921564771 642244761 /nfs/dbraw/zinc/24/47/61/642244761.db2.gz YDGUIGFTHVGFSS-UHFFFAOYSA-N 1 0 278.287 2.051 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCCO ZINC000877499677 650752654 /nfs/dbraw/zinc/75/26/54/650752654.db2.gz SPNAYNXQEJYHRF-UHFFFAOYSA-N 1 0 252.314 2.026 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[NH+](C)C ZINC000877524023 650766133 /nfs/dbraw/zinc/76/61/33/650766133.db2.gz PYIYZVBUAOUSMF-UHFFFAOYSA-N 1 0 265.357 2.205 20 5 CEBDRO COCCOCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877535656 650773819 /nfs/dbraw/zinc/77/38/19/650773819.db2.gz CUSYOEFIJVERFH-UHFFFAOYSA-N 1 0 296.367 2.306 20 5 CEBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cscn1 ZINC000877625415 650819447 /nfs/dbraw/zinc/81/94/47/650819447.db2.gz NRVTYCSGQXAWSN-IDKOKCKLSA-N 1 0 293.352 2.302 20 5 CEBDRO CC(C)([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000852078445 643290916 /nfs/dbraw/zinc/29/09/16/643290916.db2.gz PYZKJDIUYMCOSS-SNVBAGLBSA-N 1 0 278.308 2.125 20 5 CEBDRO CC[C@@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057801027 643361458 /nfs/dbraw/zinc/36/14/58/643361458.db2.gz UFJSXJTXRVHIES-VIFPVBQESA-N 1 0 258.705 2.109 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853301236 643733724 /nfs/dbraw/zinc/73/37/24/643733724.db2.gz VYOWMZCBSLIZQU-UHFFFAOYSA-N 1 0 293.367 2.444 20 5 CEBDRO COC(=O)C1CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877721713 650870341 /nfs/dbraw/zinc/87/03/41/650870341.db2.gz ZVWXAZJHFXDODF-GQCTYLIASA-N 1 0 290.319 2.149 20 5 CEBDRO O=[N+]([O-])c1cnn(CN2CCC[C@@H](C3CCC3)C2)c1 ZINC000853591158 643826402 /nfs/dbraw/zinc/82/64/02/643826402.db2.gz XLLCUNQMCZEGBO-GFCCVEGCSA-N 1 0 264.329 2.261 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000853824785 643910966 /nfs/dbraw/zinc/91/09/66/643910966.db2.gz QOYUFAGBMWIAAW-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1cc(-c2noc(C[NH2+]C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000854161183 644001353 /nfs/dbraw/zinc/00/13/53/644001353.db2.gz QUQCUHVZXNRCBJ-UHFFFAOYSA-N 1 0 276.296 2.451 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740936 650883769 /nfs/dbraw/zinc/88/37/69/650883769.db2.gz LIJYJDSKYQRYAQ-GDBMZVCRSA-N 1 0 289.379 2.163 20 5 CEBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000857088054 644814670 /nfs/dbraw/zinc/81/46/70/644814670.db2.gz YYZIMFGLSOFXMO-FZMZJTMJSA-N 1 0 279.315 2.047 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000857238833 644867950 /nfs/dbraw/zinc/86/79/50/644867950.db2.gz DPYDZJRWSCBNBK-CMPLNLGQSA-N 1 0 286.278 2.263 20 5 CEBDRO Cc1ccc(C[NH2+]C2COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000758010609 644871787 /nfs/dbraw/zinc/87/17/87/644871787.db2.gz QIKUIHLATQPCMX-UHFFFAOYSA-N 1 0 280.324 2.144 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858586986 645213462 /nfs/dbraw/zinc/21/34/62/645213462.db2.gz MITXJCNHLIGHQS-MFKMUULPSA-N 1 0 295.339 2.044 20 5 CEBDRO C[S@@](=O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000116920000 645574479 /nfs/dbraw/zinc/57/44/79/645574479.db2.gz DYWBFCCCNOQVPL-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(CO)CC2)c1 ZINC000118907160 646416279 /nfs/dbraw/zinc/41/62/79/646416279.db2.gz BLLFWIVTSSZIIO-UHFFFAOYSA-N 1 0 270.716 2.110 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)OCC ZINC000863565550 646757827 /nfs/dbraw/zinc/75/78/27/646757827.db2.gz NDXFKQVOZWHSJS-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](C)[NH3+] ZINC000863568451 646758508 /nfs/dbraw/zinc/75/85/08/646758508.db2.gz MKDBNIBGDRZMNU-GHMZBOCLSA-N 1 0 251.330 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)cc1 ZINC000863657761 646781305 /nfs/dbraw/zinc/78/13/05/646781305.db2.gz GELGSDSQUYDAGB-ONGXEEELSA-N 1 0 292.270 2.265 20 5 CEBDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000864462733 647017101 /nfs/dbraw/zinc/01/71/01/647017101.db2.gz OIKXCQWONTVMNH-KCJUWKMLSA-N 1 0 296.758 2.313 20 5 CEBDRO C[C@@H]1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000776277599 647044873 /nfs/dbraw/zinc/04/48/73/647044873.db2.gz OMIZBKZJOXVZPO-GYSYKLTISA-N 1 0 296.392 2.454 20 5 CEBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776581750 647073922 /nfs/dbraw/zinc/07/39/22/647073922.db2.gz LQSCDFRQKPYJJT-MFKMUULPSA-N 1 0 282.365 2.066 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000865488140 647321375 /nfs/dbraw/zinc/32/13/75/647321375.db2.gz KJIYEHLYLQMFPH-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1C ZINC000865557175 647358743 /nfs/dbraw/zinc/35/87/43/647358743.db2.gz JFEAKLXVWCMHFE-KOLCDFICSA-N 1 0 297.330 2.121 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000865914739 647534101 /nfs/dbraw/zinc/53/41/01/647534101.db2.gz WJRWEZFSURXUAI-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO C[C@H](C1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000782182468 647597184 /nfs/dbraw/zinc/59/71/84/647597184.db2.gz HLVDDPBQDTYTQN-ZYHUDNBSSA-N 1 0 276.340 2.275 20 5 CEBDRO Cc1ccnc(N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112669 647615299 /nfs/dbraw/zinc/61/52/99/647615299.db2.gz IFZVHWWYJSIWPZ-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205312 647668391 /nfs/dbraw/zinc/66/83/91/647668391.db2.gz CEDNDBBXNXNYBY-RYUDHWBXSA-N 1 0 261.325 2.125 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206360 647670791 /nfs/dbraw/zinc/67/07/91/647670791.db2.gz KJJNULVZIIGFSI-JQWIXIFHSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207346 647672174 /nfs/dbraw/zinc/67/21/74/647672174.db2.gz HZUMIHVRECENSI-ZJUUUORDSA-N 1 0 267.354 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1Cl ZINC000783638243 647742147 /nfs/dbraw/zinc/74/21/47/647742147.db2.gz PCWZBTVHEKIQDJ-GXFFZTMASA-N 1 0 284.743 2.499 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866391654 647770485 /nfs/dbraw/zinc/77/04/85/647770485.db2.gz MRIDFPPPGJTNPM-FZQKWOKYSA-N 1 0 282.315 2.432 20 5 CEBDRO Cc1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000867996374 648015206 /nfs/dbraw/zinc/01/52/06/648015206.db2.gz ZEQLPXVMTRSFBZ-SMDDNHRTSA-N 1 0 293.367 2.139 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)OCCO1 ZINC000786820836 648048355 /nfs/dbraw/zinc/04/83/55/648048355.db2.gz LMUFYSWLYGJMJE-WQLSENKSSA-N 1 0 292.335 2.351 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504240 648195674 /nfs/dbraw/zinc/19/56/74/648195674.db2.gz BZSMLQXNGDYKJB-CMPLNLGQSA-N 1 0 279.340 2.397 20 5 CEBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591878 648205448 /nfs/dbraw/zinc/20/54/48/648205448.db2.gz JGSSXKNJRJOZKY-IINYFYTJSA-N 1 0 281.356 2.235 20 5 CEBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000791053678 648476115 /nfs/dbraw/zinc/47/61/15/648476115.db2.gz VUZMKRJIKBIEOT-NEPJUHHUSA-N 1 0 258.362 2.179 20 5 CEBDRO C[C@@H]1C[C@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791053541 648476352 /nfs/dbraw/zinc/47/63/52/648476352.db2.gz TWXGNTGCAIMGGH-GDBMZVCRSA-N 1 0 291.395 2.248 20 5 CEBDRO C[C@H]1CCSCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000794570238 648885318 /nfs/dbraw/zinc/88/53/18/648885318.db2.gz IWWWZIZDJPQKNY-FZMZJTMJSA-N 1 0 296.392 2.456 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000123854938 649207543 /nfs/dbraw/zinc/20/75/43/649207543.db2.gz RGICJHYTXXIKAA-SNVBAGLBSA-N 1 0 272.732 2.499 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017270 649241745 /nfs/dbraw/zinc/24/17/45/649241745.db2.gz YAZVFJRXDNHTAE-BDAKNGLRSA-N 1 0 256.277 2.155 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027244 649245240 /nfs/dbraw/zinc/24/52/40/649245240.db2.gz KOTFCNAHUBQNKW-NXEZZACHSA-N 1 0 268.288 2.421 20 5 CEBDRO COC[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872059228 649257815 /nfs/dbraw/zinc/25/78/15/649257815.db2.gz BPOAWGCZMTYZHO-VHSXEESVSA-N 1 0 286.303 2.046 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872081543 649266559 /nfs/dbraw/zinc/26/65/59/649266559.db2.gz ZHWADRKKOCZMGV-KKFJDGPESA-N 1 0 268.288 2.298 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781763 649489030 /nfs/dbraw/zinc/48/90/30/649489030.db2.gz YLPALYGCRVVTNM-NEPJUHHUSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCC1 ZINC000873048963 649544324 /nfs/dbraw/zinc/54/43/24/649544324.db2.gz TYWFYIMOTDQTLG-UHFFFAOYSA-N 1 0 264.325 2.216 20 5 CEBDRO COCCOC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873062611 649547519 /nfs/dbraw/zinc/54/75/19/649547519.db2.gz UZAFVCJLPRAMJG-LLVKDONJSA-N 1 0 282.340 2.044 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000873095575 649558499 /nfs/dbraw/zinc/55/84/99/649558499.db2.gz YVIKGDJEVCXYTQ-JOCQHMNTSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[C@H](C)O ZINC000873102440 649559164 /nfs/dbraw/zinc/55/91/64/649559164.db2.gz PNXWXUAEFPXPJC-MNOVXSKESA-N 1 0 266.341 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(CO)CCC1 ZINC000873105260 649559278 /nfs/dbraw/zinc/55/92/78/649559278.db2.gz UFPYPMJKTQSKNT-UHFFFAOYSA-N 1 0 278.352 2.464 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873106650 649559365 /nfs/dbraw/zinc/55/93/65/649559365.db2.gz DMBVQDWLUWPCGL-SCOBNMCVSA-N 1 0 264.325 2.320 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000124583004 649704685 /nfs/dbraw/zinc/70/46/85/649704685.db2.gz VTWAYQUUQARCNG-CABZTGNLSA-N 1 0 267.304 2.046 20 5 CEBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@]12C[C@H]1CCCC2 ZINC000879262753 651273006 /nfs/dbraw/zinc/27/30/06/651273006.db2.gz DLIJFMFTZCVEKZ-SCRDCRAPSA-N 1 0 278.356 2.350 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H](C)[NH3+])nn1 ZINC000881365175 651698772 /nfs/dbraw/zinc/69/87/72/651698772.db2.gz NWVCQGOFXOMWPX-VHSXEESVSA-N 1 0 275.312 2.124 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882960947 652292868 /nfs/dbraw/zinc/29/28/68/652292868.db2.gz ZZDSZXYMSFPNBD-SECBINFHSA-N 1 0 283.303 2.249 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000883272148 652419954 /nfs/dbraw/zinc/41/99/54/652419954.db2.gz DWSAEAMTELEITD-CKYFFXLPSA-N 1 0 279.340 2.253 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000883360780 652443528 /nfs/dbraw/zinc/44/35/28/652443528.db2.gz KEEJUXZGOWPNQB-BRLPQQTGSA-N 1 0 275.352 2.292 20 5 CEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000883441914 652471251 /nfs/dbraw/zinc/47/12/51/652471251.db2.gz ACPDANRHPRXJSE-RYUDHWBXSA-N 1 0 283.759 2.464 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000133245265 652615547 /nfs/dbraw/zinc/61/55/47/652615547.db2.gz KUWBYYDMPJQMCG-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1C ZINC000884030034 652641103 /nfs/dbraw/zinc/64/11/03/652641103.db2.gz DHUKJGDZBXVTKT-QWRGUYRKSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134398975 652832787 /nfs/dbraw/zinc/83/27/87/652832787.db2.gz UYWWFBONPONUJI-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001165037525 721887351 /nfs/dbraw/zinc/88/73/51/721887351.db2.gz YVAAVJZTTOPCLM-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]CCC12CCC2 ZINC000713240598 805572788 /nfs/dbraw/zinc/57/27/88/805572788.db2.gz CYOCZLNTNDBIKY-UHFFFAOYSA-N 1 0 295.364 2.015 20 5 CEBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226709916 805698860 /nfs/dbraw/zinc/69/88/60/805698860.db2.gz MLOIZENYRBMUBH-UHFFFAOYSA-N 1 0 265.313 2.241 20 5 CEBDRO CN(c1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714241988 806090920 /nfs/dbraw/zinc/09/09/20/806090920.db2.gz YGJNITRGMVOXTO-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO [NH3+]Cc1cnn(-c2cc3cccnc3c3ncccc23)c1 ZINC001168258967 806449356 /nfs/dbraw/zinc/44/93/56/806449356.db2.gz GTQBWXQNRINZRR-UHFFFAOYSA-N 1 0 275.315 2.427 20 5 CEBDRO Cc1cc(C)c(-n2cc(C[NH3+])cn2)c(C)c1[N+](=O)[O-] ZINC001168262838 806460950 /nfs/dbraw/zinc/46/09/50/806460950.db2.gz YXQXMQQVSUOITR-UHFFFAOYSA-N 1 0 260.297 2.164 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000160075120 806851578 /nfs/dbraw/zinc/85/15/78/806851578.db2.gz ZIMVYMQRLXEMDS-ZDUSSCGKSA-N 1 0 283.759 2.417 20 5 CEBDRO C[N+](C)(C)CCCOC[C@@H]1CCc2ccccc2O1 ZINC001224618119 806867129 /nfs/dbraw/zinc/86/71/29/806867129.db2.gz COXUFZVRCVUYMK-HNNXBMFYSA-N 1 0 264.389 2.493 20 5 CEBDRO CC(C)Oc1ccc(COCC[N+](C)(C)C)cn1 ZINC001224776460 806952681 /nfs/dbraw/zinc/95/26/81/806952681.db2.gz VWQFUVWNGOSMIO-UHFFFAOYSA-N 1 0 253.366 2.092 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224777809 806952692 /nfs/dbraw/zinc/95/26/92/806952692.db2.gz GIKJJXJTUMNWPQ-LBPRGKRZSA-N 1 0 283.348 2.085 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1ccc([N+](=O)[O-])s1 ZINC000710797357 809992723 /nfs/dbraw/zinc/99/27/23/809992723.db2.gz GZPHFTXIFXIYQO-UHFFFAOYSA-N 1 0 285.369 2.247 20 5 CEBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001218387201 803596165 /nfs/dbraw/zinc/59/61/65/803596165.db2.gz XPKKNTZZCZJPNI-LDWIPMOCSA-N 1 0 276.214 2.353 20 5 CEBDRO C[NH2+]CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167724362 803676692 /nfs/dbraw/zinc/67/66/92/803676692.db2.gz OBRMPXLWQAOHDQ-UHFFFAOYSA-N 1 0 263.219 2.245 20 5 CEBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000136482215 803914936 /nfs/dbraw/zinc/91/49/36/803914936.db2.gz QGOWDISNAILIBY-UHFFFAOYSA-N 1 0 295.339 2.320 20 5 CEBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225912788 805374247 /nfs/dbraw/zinc/37/42/47/805374247.db2.gz OEWQHUCDFHOSGJ-SNVBAGLBSA-N 1 0 254.261 2.207 20 5 CEBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244502 815078325 /nfs/dbraw/zinc/07/83/25/815078325.db2.gz HIABZLCBEIYVMS-MWLCHTKSSA-N 1 0 291.307 2.393 20 5 CEBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CCCO2 ZINC001233588428 807427181 /nfs/dbraw/zinc/42/71/81/807427181.db2.gz NJWBEJLTCMOPEK-GFCCVEGCSA-N 1 0 250.362 2.485 20 5 CEBDRO COc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1[N+](=O)[O-] ZINC001168593100 808688647 /nfs/dbraw/zinc/68/86/47/808688647.db2.gz GSWRMJVBOIHOCK-QWRGUYRKSA-N 1 0 294.355 2.283 20 5 CEBDRO CC(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171793424 815237762 /nfs/dbraw/zinc/23/77/62/815237762.db2.gz UGWBXTSHHCCRHK-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001120591202 815242483 /nfs/dbraw/zinc/24/24/83/815242483.db2.gz VBSRHWUBPYOBTA-UONOGXRCSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702039823 809489454 /nfs/dbraw/zinc/48/94/54/809489454.db2.gz SSUNCQOVWPNJIB-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000702054263 809490247 /nfs/dbraw/zinc/49/02/47/809490247.db2.gz SOWBMFCAAWODON-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063965 809491534 /nfs/dbraw/zinc/49/15/34/809491534.db2.gz PJPVNPGLJQBGQA-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CC1([NH3+])CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000704541013 809737142 /nfs/dbraw/zinc/73/71/42/809737142.db2.gz KIUZUOVMIKSUQQ-UHFFFAOYSA-N 1 0 267.304 2.047 20 5 CEBDRO Cc1c(C[NH2+]C[C@](C)(O)C(F)F)cccc1[N+](=O)[O-] ZINC000705039198 809766895 /nfs/dbraw/zinc/76/68/95/809766895.db2.gz JHTYQPYYYBPRHV-LBPRGKRZSA-N 1 0 274.267 2.009 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000706499393 809827524 /nfs/dbraw/zinc/82/75/24/809827524.db2.gz LJUBFBZDHQTDFV-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000707652089 809917339 /nfs/dbraw/zinc/91/73/39/809917339.db2.gz VLLQHRLNBFOGFI-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001163777200 810191624 /nfs/dbraw/zinc/19/16/24/810191624.db2.gz UPINSJYHNLMOTL-SSDOTTSWSA-N 1 0 292.261 2.371 20 5 CEBDRO Cc1c(C)c(N2C[C@H](C[NH3+])CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001164469274 810374809 /nfs/dbraw/zinc/37/48/09/810374809.db2.gz ZLNHVITVKVXWND-SKDRFNHKSA-N 1 0 278.356 2.170 20 5 CEBDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001122167301 815389542 /nfs/dbraw/zinc/38/95/42/815389542.db2.gz TTZSVQPHHASOTP-IAQYHMDHSA-N 1 0 291.351 2.162 20 5 CEBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001155298349 811035367 /nfs/dbraw/zinc/03/53/67/811035367.db2.gz RKQHHXNAFGARJV-JTQLQIEISA-N 1 0 288.282 2.150 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1nc(Cl)ccc1[N+](=O)[O-] ZINC001168837210 811264481 /nfs/dbraw/zinc/26/44/81/811264481.db2.gz WIAFLMWYXBFPQQ-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(OC)c1 ZINC001168958709 811312093 /nfs/dbraw/zinc/31/20/93/811312093.db2.gz ONSLUTXRURBKJK-AAEUAGOBSA-N 1 0 294.351 2.239 20 5 CEBDRO [NH3+]CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168965715 811316536 /nfs/dbraw/zinc/31/65/36/811316536.db2.gz CFUXQAODSXAJMM-UKRRQHHQSA-N 1 0 283.416 2.415 20 5 CEBDRO CN(CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168974889 811323265 /nfs/dbraw/zinc/32/32/65/811323265.db2.gz SRXYTQPNKPBHHT-CVEARBPZSA-N 1 0 291.395 2.153 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974670 811323598 /nfs/dbraw/zinc/32/35/98/811323598.db2.gz SDLJHVIYEXDXGN-WCQYABFASA-N 1 0 283.416 2.412 20 5 CEBDRO Cc1ccnc(C2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168996942 811324474 /nfs/dbraw/zinc/32/44/74/811324474.db2.gz ADJRKXNTSNZFAF-KBPBESRZSA-N 1 0 289.379 2.457 20 5 CEBDRO [NH3+]Cc1cc2ccncc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997088 811325547 /nfs/dbraw/zinc/32/55/47/811325547.db2.gz XMTKSSRYTIEECH-JQWIXIFHSA-N 1 0 274.324 2.113 20 5 CEBDRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998193 811326100 /nfs/dbraw/zinc/32/61/00/811326100.db2.gz JMLWCPATMPABDV-RYUDHWBXSA-N 1 0 258.362 2.227 20 5 CEBDRO CC(C)(Cc1ccncc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999081 811326395 /nfs/dbraw/zinc/32/63/95/811326395.db2.gz RUGAPGVIBJHIBX-KBPBESRZSA-N 1 0 277.368 2.438 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CCOCC2)C1 ZINC001168997723 811326709 /nfs/dbraw/zinc/32/67/09/811326709.db2.gz FFJZDIQPCLUBOB-KBPBESRZSA-N 1 0 282.384 2.371 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999752 811328310 /nfs/dbraw/zinc/32/83/10/811328310.db2.gz VBKCLLPFJHFXLE-ONGXEEELSA-N 1 0 298.289 2.183 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC001169007143 811333022 /nfs/dbraw/zinc/33/30/22/811333022.db2.gz LLVCANXGBXUPMI-HOCLYGCPSA-N 1 0 289.379 2.254 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC001169009915 811333671 /nfs/dbraw/zinc/33/36/71/811333671.db2.gz YTGNQFPZINFHCB-JTNHKYCSSA-N 1 0 276.336 2.415 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168986811 811336056 /nfs/dbraw/zinc/33/60/56/811336056.db2.gz ZSMMOTCANNGOEQ-NWDGAFQWSA-N 1 0 263.341 2.352 20 5 CEBDRO COCCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169027508 811338694 /nfs/dbraw/zinc/33/86/94/811338694.db2.gz QRCQAFHDJMJXPK-KGLIPLIRSA-N 1 0 270.373 2.180 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCOc3ccccc3C2)C1 ZINC001169030364 811343185 /nfs/dbraw/zinc/34/31/85/811343185.db2.gz ZBWJDVHEYUOBOD-JSGCOSHPSA-N 1 0 276.336 2.326 20 5 CEBDRO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038840 811348244 /nfs/dbraw/zinc/34/82/44/811348244.db2.gz KWTSTBNHLMGPEV-WCQYABFASA-N 1 0 292.335 2.293 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001169057712 811359369 /nfs/dbraw/zinc/35/93/69/811359369.db2.gz XEJFXFRCHQJDSC-CABZTGNLSA-N 1 0 281.743 2.496 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001169228311 811440822 /nfs/dbraw/zinc/44/08/22/811440822.db2.gz OJVBWMXUBNCLIM-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO CC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045339002 811595579 /nfs/dbraw/zinc/59/55/79/811595579.db2.gz SWUZSXNSKNENBZ-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1ccc(C[NH3+])c1 ZINC001169726724 811628297 /nfs/dbraw/zinc/62/82/97/811628297.db2.gz ZFYQZTUBRFBDDZ-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO CN(c1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156967562 811975795 /nfs/dbraw/zinc/97/57/95/811975795.db2.gz BNBKGCYEBXJUBO-AWEZNQCLSA-N 1 0 289.339 2.049 20 5 CEBDRO CN(c1ccc2cc(F)cc([N+](=O)[O-])c2n1)C(C)(C)C[NH3+] ZINC001170055883 812010105 /nfs/dbraw/zinc/01/01/05/812010105.db2.gz MGXSROFJDJMKIQ-UHFFFAOYSA-N 1 0 292.314 2.456 20 5 CEBDRO CN(c1cc2cccnc2c([N+](=O)[O-])c1)C(C)(C)C[NH3+] ZINC001170059920 812017705 /nfs/dbraw/zinc/01/77/05/812017705.db2.gz YAWWVDMYQPRULX-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000689351302 812327409 /nfs/dbraw/zinc/32/74/09/812327409.db2.gz WEVFPRSDWQALNU-HZMBPMFUSA-N 1 0 282.315 2.327 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCO1)CC2 ZINC001172899198 815540050 /nfs/dbraw/zinc/54/00/50/815540050.db2.gz LYOUIJONHBFQGQ-ZFWWWQNUSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CC[C@@H]4C3)c2c1 ZINC001158435038 812705836 /nfs/dbraw/zinc/70/58/36/812705836.db2.gz VMTACPHHTSFXSR-CYBMUJFWSA-N 1 0 284.319 2.037 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000106102004 813121345 /nfs/dbraw/zinc/12/13/45/813121345.db2.gz LAOSNDQCLLFUOX-ZDUSSCGKSA-N 1 0 262.265 2.011 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C)COC2)c1F ZINC001173176433 815616998 /nfs/dbraw/zinc/61/69/98/815616998.db2.gz HCNIYGZNKDEROG-SECBINFHSA-N 1 0 298.314 2.052 20 5 CEBDRO CCN1CC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000712543874 814764799 /nfs/dbraw/zinc/76/47/99/814764799.db2.gz VHUSBWCIYDUWTP-QMMMGPOBSA-N 1 0 271.267 2.379 20 5 CEBDRO CCOc1cccc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712547269 814765430 /nfs/dbraw/zinc/76/54/30/814765430.db2.gz HJOWEJAKEUUCEL-SNVBAGLBSA-N 1 0 265.313 2.110 20 5 CEBDRO CCC1([NH3+])CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000714760323 814914636 /nfs/dbraw/zinc/91/46/36/814914636.db2.gz YFUFPJKRZPLFPJ-UHFFFAOYSA-N 1 0 263.341 2.298 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(C)C1 ZINC001173215204 815623628 /nfs/dbraw/zinc/62/36/28/815623628.db2.gz UINKIJSLECEMRW-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1 ZINC001173215206 815623862 /nfs/dbraw/zinc/62/38/62/815623862.db2.gz UINKIJSLECEMRW-JSGCOSHPSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173218945 815625169 /nfs/dbraw/zinc/62/51/69/815625169.db2.gz UKKKZLSKVYUTMH-NSHDSACASA-N 1 0 286.335 2.414 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCOC2 ZINC001173223971 815627531 /nfs/dbraw/zinc/62/75/31/815627531.db2.gz CMNKLUVODVATDP-LBPRGKRZSA-N 1 0 276.336 2.248 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC001173229974 815631705 /nfs/dbraw/zinc/63/17/05/815631705.db2.gz WRAAIYYXQAIULW-WFASDCNBSA-N 1 0 278.352 2.373 20 5 CEBDRO CC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230352 815633097 /nfs/dbraw/zinc/63/30/97/815633097.db2.gz DXYYHXRPDWWBED-FZMZJTMJSA-N 1 0 276.336 2.437 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CN(C)C2)C1 ZINC001173233767 815633108 /nfs/dbraw/zinc/63/31/08/815633108.db2.gz YAHUAVHZBJQCHP-ZDUSSCGKSA-N 1 0 289.379 2.163 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C ZINC001173213025 815634962 /nfs/dbraw/zinc/63/49/62/815634962.db2.gz CQJSZUUBKOIWQO-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccon1 ZINC001173212566 815635170 /nfs/dbraw/zinc/63/51/70/815635170.db2.gz AYGZAMNRFKMALK-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173208718 815635328 /nfs/dbraw/zinc/63/53/28/815635328.db2.gz AXXZDCZFCWLGPI-BXUZGUMPSA-N 1 0 266.341 2.132 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)O ZINC001173214626 815636915 /nfs/dbraw/zinc/63/69/15/815636915.db2.gz CYRXKKZQGRDAOQ-LLVKDONJSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1 ZINC001173213504 815637199 /nfs/dbraw/zinc/63/71/99/815637199.db2.gz HYGSUPGDFURUIG-NSHDSACASA-N 1 0 272.308 2.106 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])cn1 ZINC001173214381 815637274 /nfs/dbraw/zinc/63/72/74/815637274.db2.gz BGJSFBJQRYLNNY-SNVBAGLBSA-N 1 0 260.297 2.054 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214152 815637286 /nfs/dbraw/zinc/63/72/86/815637286.db2.gz MJVHHQDGQGZHBT-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO COc1ccc(Nc2c[nH+]c(C)n2C)cc1[N+](=O)[O-] ZINC001176363000 816400591 /nfs/dbraw/zinc/40/05/91/816400591.db2.gz JKYXKWVNSYDKJL-UHFFFAOYSA-N 1 0 262.269 2.389 20 5 CEBDRO C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001141891487 816597187 /nfs/dbraw/zinc/59/71/87/816597187.db2.gz UGLLBIYSUQPUOM-VXGBXAGGSA-N 1 0 293.367 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](CO)C1)CCC2 ZINC000601291088 346813876 /nfs/dbraw/zinc/81/38/76/346813876.db2.gz GELCJWPWTFOHDP-IFUGULHKSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000449091904 282097476 /nfs/dbraw/zinc/09/74/76/282097476.db2.gz RJKLAACFYOKRPN-NSHDSACASA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337485809 214113314 /nfs/dbraw/zinc/11/33/14/214113314.db2.gz YQNMFYUYHKDEPS-SNVBAGLBSA-N 1 0 252.318 2.227 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000127773886 187332184 /nfs/dbraw/zinc/33/21/84/187332184.db2.gz FRNQPKCCSAIWCN-ZDUSSCGKSA-N 1 0 279.340 2.040 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](O)C1 ZINC000033394661 361778265 /nfs/dbraw/zinc/77/82/65/361778265.db2.gz ZPHKJRKWWFKLKH-ACVFHECNSA-N 1 0 262.309 2.065 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121096 361816861 /nfs/dbraw/zinc/81/68/61/361816861.db2.gz VQJLDIPBVYNFMK-UHFFFAOYSA-N 1 0 293.327 2.131 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929075 343994641 /nfs/dbraw/zinc/99/46/41/343994641.db2.gz DVGHNWNERQMDPC-JSGCOSHPSA-N 1 0 291.351 2.304 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125178030 187173641 /nfs/dbraw/zinc/17/36/41/187173641.db2.gz FYQHLAVFRMHNOU-BXUZGUMPSA-N 1 0 264.325 2.188 20 5 CEBDRO [NH3+][C@H]1CCCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000601324930 346821174 /nfs/dbraw/zinc/82/11/74/346821174.db2.gz QXKLAYZKSKOAAF-NSHDSACASA-N 1 0 269.370 2.360 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586192 346855198 /nfs/dbraw/zinc/85/51/98/346855198.db2.gz KKOODPFWQUCPMI-JTQLQIEISA-N 1 0 297.330 2.192 20 5 CEBDRO [NH3+]CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000037714755 361922466 /nfs/dbraw/zinc/92/24/66/361922466.db2.gz VAGYNOLDDGKKLV-UHFFFAOYSA-N 1 0 260.297 2.294 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000037782520 361937787 /nfs/dbraw/zinc/93/77/87/361937787.db2.gz AKVPUEDDFGXHIV-GFCCVEGCSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(O)C1 ZINC000449281015 282170304 /nfs/dbraw/zinc/17/03/04/282170304.db2.gz BUDXWFMIHMRLMP-LKSINWNRSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H]([NH2+]C1CC1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449306222 282180705 /nfs/dbraw/zinc/18/07/05/282180705.db2.gz KFAOOPHXVJBXAD-JTQLQIEISA-N 1 0 291.351 2.087 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(O)CCC1 ZINC000449309395 282182162 /nfs/dbraw/zinc/18/21/62/282182162.db2.gz AIKNVYXTJUQRFK-GFCCVEGCSA-N 1 0 278.352 2.421 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449341665 282193397 /nfs/dbraw/zinc/19/33/97/282193397.db2.gz ZULSRKXVSHTFCZ-TZMCWYRMSA-N 1 0 296.367 2.167 20 5 CEBDRO Cc1sc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000041929287 362053318 /nfs/dbraw/zinc/05/33/18/362053318.db2.gz WVYALDKWRBNDEL-UHFFFAOYSA-N 1 0 299.396 2.425 20 5 CEBDRO CCN(CC)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045704840 362165051 /nfs/dbraw/zinc/16/50/51/362165051.db2.gz JAMXRRZLVNEABE-ZDUSSCGKSA-N 1 0 279.384 2.457 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000031825893 343410935 /nfs/dbraw/zinc/41/09/35/343410935.db2.gz PKIKRDVZHJFSRC-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CF)CCOCC1 ZINC000449486015 282255010 /nfs/dbraw/zinc/25/50/10/282255010.db2.gz PSQFBUFOCDBSJV-UHFFFAOYSA-N 1 0 282.315 2.451 20 5 CEBDRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000047139883 343512009 /nfs/dbraw/zinc/51/20/09/343512009.db2.gz ZBRYRIJZQYHPSG-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO CC(C)CC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049237422 343536176 /nfs/dbraw/zinc/53/61/76/343536176.db2.gz DAWGKNUDBZBWIB-UHFFFAOYSA-N 1 0 279.340 2.172 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127826598 365764666 /nfs/dbraw/zinc/76/46/66/365764666.db2.gz OEXVIYQLZKDIFR-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000060842413 343663177 /nfs/dbraw/zinc/66/31/77/343663177.db2.gz CDCDNVDNQHRYDN-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000064570847 343692378 /nfs/dbraw/zinc/69/23/78/343692378.db2.gz CMBCQIDBBUFADV-HNNXBMFYSA-N 1 0 275.352 2.265 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000066137495 343708202 /nfs/dbraw/zinc/70/82/02/343708202.db2.gz ZWBCBGDXOUZWID-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@@H]([NH2+]CCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075037 362331879 /nfs/dbraw/zinc/33/18/79/362331879.db2.gz KZUSTOROGPRAGV-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO COCC[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606495 344112528 /nfs/dbraw/zinc/11/25/28/344112528.db2.gz UDMOASULOODFMC-NSHDSACASA-N 1 0 264.325 2.378 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580625 344124891 /nfs/dbraw/zinc/12/48/91/344124891.db2.gz RFXKZXWDTDSSAK-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090146233 344137725 /nfs/dbraw/zinc/13/77/25/344137725.db2.gz UNGAGPCZHZXERH-CABCVRRESA-N 1 0 291.351 2.260 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 ZINC000093992609 344233544 /nfs/dbraw/zinc/23/35/44/344233544.db2.gz TYILIFRLHHHLPQ-NWDGAFQWSA-N 1 0 291.351 2.116 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000092623068 344196999 /nfs/dbraw/zinc/19/69/99/344196999.db2.gz XWHCRUNAIFZVTD-VIFPVBQESA-N 1 0 283.303 2.249 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH2+]C(C)(C)C ZINC000092649040 344197758 /nfs/dbraw/zinc/19/77/58/344197758.db2.gz NBNFHXWWOWBDTE-UHFFFAOYSA-N 1 0 252.318 2.098 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602440653 347033427 /nfs/dbraw/zinc/03/34/27/347033427.db2.gz AARFHQAMWQQCAU-ZDUSSCGKSA-N 1 0 286.335 2.318 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468121 347044620 /nfs/dbraw/zinc/04/46/20/347044620.db2.gz UGNSTZIXBLFCJI-GHMZBOCLSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122258106 344305951 /nfs/dbraw/zinc/30/59/51/344305951.db2.gz XPAPEKSISHHOGV-MNOVXSKESA-N 1 0 269.370 2.216 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133763270 344370307 /nfs/dbraw/zinc/37/03/07/344370307.db2.gz UUJKNIOFFAHIDG-LLVKDONJSA-N 1 0 279.340 2.500 20 5 CEBDRO COc1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000134914468 344378800 /nfs/dbraw/zinc/37/88/00/344378800.db2.gz ADRAPKIMJFSRNP-JTQLQIEISA-N 1 0 277.324 2.252 20 5 CEBDRO CCC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473640 347047928 /nfs/dbraw/zinc/04/79/28/347047928.db2.gz BSTOLHJOKRQJPR-NSHDSACASA-N 1 0 266.345 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000157017374 344444917 /nfs/dbraw/zinc/44/49/17/344444917.db2.gz IQGFPABOIWRYGC-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO CN(CCC[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000158879405 344452496 /nfs/dbraw/zinc/45/24/96/344452496.db2.gz POCKNGZLVSJZBG-UHFFFAOYSA-N 1 0 293.367 2.313 20 5 CEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163166 362407239 /nfs/dbraw/zinc/40/72/39/362407239.db2.gz RZCCJPVXOSSWMH-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235375709 344591129 /nfs/dbraw/zinc/59/11/29/344591129.db2.gz DNAVGEUFTXITCN-BDAKNGLRSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000051895812 362445771 /nfs/dbraw/zinc/44/57/71/362445771.db2.gz ABFUFRYOLFOLOQ-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051917845 362449905 /nfs/dbraw/zinc/44/99/05/362449905.db2.gz QIPAHJJHFMJPNJ-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CC2CC2)CC1 ZINC000052164487 362468557 /nfs/dbraw/zinc/46/85/57/362468557.db2.gz OQAVYGARNWQPOI-UHFFFAOYSA-N 1 0 275.352 2.122 20 5 CEBDRO COCC[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282437307 344676166 /nfs/dbraw/zinc/67/61/66/344676166.db2.gz KPCHOAQTFUQEJR-LBPRGKRZSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286077772 344679387 /nfs/dbraw/zinc/67/93/87/344679387.db2.gz MDHKIOYXEBKMOU-SNVBAGLBSA-N 1 0 260.297 2.211 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000313874261 344743955 /nfs/dbraw/zinc/74/39/55/344743955.db2.gz MELGLFLUMCFWCS-GXTWGEPZSA-N 1 0 291.351 2.119 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000314803708 344746165 /nfs/dbraw/zinc/74/61/65/344746165.db2.gz TVMNNFGNRNSQRE-TXEJJXNPSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1cnc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000273207024 192075318 /nfs/dbraw/zinc/07/53/18/192075318.db2.gz GCNUAVQPKXTDLI-LBPRGKRZSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602549576 347072445 /nfs/dbraw/zinc/07/24/45/347072445.db2.gz FDHUBRARBNNQKP-CQSZACIVSA-N 1 0 291.307 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCOC3)nc2c1 ZINC000602540518 347071120 /nfs/dbraw/zinc/07/11/20/347071120.db2.gz OFYCAATXOHUKSO-SECBINFHSA-N 1 0 277.280 2.005 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1CC[NH3+] ZINC000404292953 344879106 /nfs/dbraw/zinc/87/91/06/344879106.db2.gz VXITZTULSDQQOX-VHSXEESVSA-N 1 0 297.380 2.246 20 5 CEBDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355281 362531870 /nfs/dbraw/zinc/53/18/70/362531870.db2.gz QSTKKXBWKLJVEN-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000056494960 362561141 /nfs/dbraw/zinc/56/11/41/362561141.db2.gz GNDOXKZBGJLBGB-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1sc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590402721 345133511 /nfs/dbraw/zinc/13/35/11/345133511.db2.gz FBEYNEFEMUVEPP-SCZZXKLOSA-N 1 0 297.380 2.129 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590566675 345145971 /nfs/dbraw/zinc/14/59/71/345145971.db2.gz PCFMQTSKGSSLBG-NEPJUHHUSA-N 1 0 291.351 2.068 20 5 CEBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000590600269 345149781 /nfs/dbraw/zinc/14/97/81/345149781.db2.gz IMTHSMMLDIUENZ-UHFFFAOYSA-N 1 0 294.351 2.188 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000591282657 345237193 /nfs/dbraw/zinc/23/71/93/345237193.db2.gz LEBRUVLGZVTHMW-GFCCVEGCSA-N 1 0 293.342 2.498 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591298952 345237760 /nfs/dbraw/zinc/23/77/60/345237760.db2.gz JKGYQSAFBQRQDB-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591436510 345253560 /nfs/dbraw/zinc/25/35/60/345253560.db2.gz BDRNUWBOBYGSKE-RISCZKNCSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000591436521 345253713 /nfs/dbraw/zinc/25/37/13/345253713.db2.gz BDUIALWVGAIXRH-RYUDHWBXSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccncc21 ZINC000591437361 345254215 /nfs/dbraw/zinc/25/42/15/345254215.db2.gz GQCTXLRGTKOJFK-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3=CCCC3)CC2)cn1 ZINC000592059172 345316916 /nfs/dbraw/zinc/31/69/16/345316916.db2.gz PRNPJVOPUBQAAG-UHFFFAOYSA-N 1 0 288.351 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000591660357 345272733 /nfs/dbraw/zinc/27/27/33/345272733.db2.gz IUGTYAASWXDPCR-GHMZBOCLSA-N 1 0 250.298 2.343 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000591673419 345273452 /nfs/dbraw/zinc/27/34/52/345273452.db2.gz VEGYKMKKWPHMEL-SNVBAGLBSA-N 1 0 299.277 2.087 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC000591751611 345277418 /nfs/dbraw/zinc/27/74/18/345277418.db2.gz JGCQRQWMVZTWBF-OLZOCXBDSA-N 1 0 292.335 2.033 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374821 345347465 /nfs/dbraw/zinc/34/74/65/345347465.db2.gz LLTWUEHIXUAGPG-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH3+])CC1 ZINC000592431644 345352506 /nfs/dbraw/zinc/35/25/06/345352506.db2.gz UUZQPWKRUDDNNH-UHFFFAOYSA-N 1 0 293.367 2.307 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592432281 345352609 /nfs/dbraw/zinc/35/26/09/345352609.db2.gz ALEMPILUMWHOQC-UONOGXRCSA-N 1 0 275.352 2.087 20 5 CEBDRO CC(C)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000592485727 345359553 /nfs/dbraw/zinc/35/95/53/345359553.db2.gz WESATFHJKSPPGZ-CYBMUJFWSA-N 1 0 281.331 2.164 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CCC(C)(C)C ZINC000592145357 345328707 /nfs/dbraw/zinc/32/87/07/345328707.db2.gz VWLKJPWINVIING-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO O=[N+]([O-])c1cc2cnn(C[C@H]3CC[NH2+]C3)c2c(Cl)c1 ZINC000592164535 345333301 /nfs/dbraw/zinc/33/33/01/345333301.db2.gz LITVGKRLVYLVFK-QMMMGPOBSA-N 1 0 280.715 2.207 20 5 CEBDRO Cc1ccc(NC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000102064042 232190815 /nfs/dbraw/zinc/19/08/15/232190815.db2.gz YYGWSPXTGDJZHW-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593721151 345527008 /nfs/dbraw/zinc/52/70/08/345527008.db2.gz ODEWYJWEPCWSFY-SWLSCSKDSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593902930 345550695 /nfs/dbraw/zinc/55/06/95/345550695.db2.gz KDOPLUQJTOPNJI-LLVKDONJSA-N 1 0 277.324 2.231 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000593915449 345551837 /nfs/dbraw/zinc/55/18/37/345551837.db2.gz YWRJSUGCSVIVME-UHFFFAOYSA-N 1 0 291.351 2.070 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH2+]CC1 ZINC000593919632 345552579 /nfs/dbraw/zinc/55/25/79/345552579.db2.gz WANSGXAORTUZAI-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594583476 345651446 /nfs/dbraw/zinc/65/14/46/345651446.db2.gz OAZYLPRWOMHPAD-VIFPVBQESA-N 1 0 297.664 2.227 20 5 CEBDRO Cc1ccnc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000594591815 345653778 /nfs/dbraw/zinc/65/37/78/345653778.db2.gz MBPVJUGQDWRHGP-PHIMTYICSA-N 1 0 264.329 2.050 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069915 345739324 /nfs/dbraw/zinc/73/93/24/345739324.db2.gz TVDXAZLKZLOOTJ-MNOVXSKESA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917038 345700697 /nfs/dbraw/zinc/70/06/97/345700697.db2.gz FYIKOZGVMALAHV-RYUDHWBXSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921477 345702427 /nfs/dbraw/zinc/70/24/27/345702427.db2.gz BWPWKYDJINYIOA-DGCLKSJQSA-N 1 0 280.324 2.131 20 5 CEBDRO COC1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594959262 345716514 /nfs/dbraw/zinc/71/65/14/345716514.db2.gz BCDNNYQGSBKPSE-UHFFFAOYSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000594970352 345719535 /nfs/dbraw/zinc/71/95/35/345719535.db2.gz YZCKDWOALWIWCL-VIFPVBQESA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cs1 ZINC000594990337 345722494 /nfs/dbraw/zinc/72/24/94/345722494.db2.gz XDEJZDRLMYPCKA-ZJUUUORDSA-N 1 0 268.338 2.049 20 5 CEBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594990913 345722548 /nfs/dbraw/zinc/72/25/48/345722548.db2.gz CMLTWHSBENPTCP-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](C)O ZINC000595007037 345725111 /nfs/dbraw/zinc/72/51/11/345725111.db2.gz FATWQGJEWBKKEG-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)[NH+](C)C ZINC000595012075 345726533 /nfs/dbraw/zinc/72/65/33/345726533.db2.gz NDBFUOSPMSIVEJ-MNOVXSKESA-N 1 0 281.356 2.204 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C/C=C/CO ZINC000595065408 345738136 /nfs/dbraw/zinc/73/81/36/345738136.db2.gz AYIPZXKXGKEXDN-CSDYLXSXSA-N 1 0 290.363 2.444 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C/C=C\CO ZINC000595065409 345738204 /nfs/dbraw/zinc/73/82/04/345738204.db2.gz AYIPZXKXGKEXDN-GLAGEYFUSA-N 1 0 290.363 2.444 20 5 CEBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542415 345807705 /nfs/dbraw/zinc/80/77/05/345807705.db2.gz FKZKZHNOBJBYDS-RNCFNFMXSA-N 1 0 283.328 2.184 20 5 CEBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553541 345811485 /nfs/dbraw/zinc/81/14/85/345811485.db2.gz XQNHXLHGDHYVSB-GHMZBOCLSA-N 1 0 282.315 2.184 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595343707 345765732 /nfs/dbraw/zinc/76/57/32/345765732.db2.gz CTKOISBVIXWMGZ-GFCCVEGCSA-N 1 0 296.371 2.055 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595347255 345766429 /nfs/dbraw/zinc/76/64/29/345766429.db2.gz PESDCWZFCYEFEN-ZYHUDNBSSA-N 1 0 296.371 2.196 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510888 345799925 /nfs/dbraw/zinc/79/99/25/345799925.db2.gz DPUSTUUUINIDPA-BIMULSAOSA-N 1 0 295.339 2.184 20 5 CEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595512163 345800726 /nfs/dbraw/zinc/80/07/26/345800726.db2.gz OAZJRHKEIFADNZ-NZXMKCKXSA-N 1 0 283.328 2.040 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521644 345802791 /nfs/dbraw/zinc/80/27/91/345802791.db2.gz JSSBUIWGJOXPLQ-LBPRGKRZSA-N 1 0 268.288 2.391 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000595738647 345863493 /nfs/dbraw/zinc/86/34/93/345863493.db2.gz XCLKYQFQPKYIPW-OCCSQVGLSA-N 1 0 294.351 2.311 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595752695 345866721 /nfs/dbraw/zinc/86/67/21/345866721.db2.gz VMMROSRERVCWRN-INIZCTEOSA-N 1 0 290.363 2.374 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595764882 345870587 /nfs/dbraw/zinc/87/05/87/345870587.db2.gz FVPUZOIRUZOASE-STQMWFEESA-N 1 0 294.351 2.113 20 5 CEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595766683 345871231 /nfs/dbraw/zinc/87/12/31/345871231.db2.gz YWZKPOIZZAKLIZ-DZGCQCFKSA-N 1 0 294.351 2.113 20 5 CEBDRO COc1cc(NCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596055058 345929128 /nfs/dbraw/zinc/92/91/28/345929128.db2.gz CXMCYAYXRQTMIF-UHFFFAOYSA-N 1 0 273.720 2.230 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOCCF ZINC000596057210 345929910 /nfs/dbraw/zinc/92/99/10/345929910.db2.gz KLGCVDLQNGHNBU-HYXAFXHYSA-N 1 0 268.288 2.184 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000596016978 345923656 /nfs/dbraw/zinc/92/36/56/345923656.db2.gz XNWDDFJXLWYFQQ-HNNXBMFYSA-N 1 0 291.351 2.183 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCCC[C@H]1CC[NH3+] ZINC000596015353 345923701 /nfs/dbraw/zinc/92/37/01/345923701.db2.gz CPNPQCRQQSYLGN-NSHDSACASA-N 1 0 279.340 2.311 20 5 CEBDRO C[NH+](C)C1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596180490 345961951 /nfs/dbraw/zinc/96/19/51/345961951.db2.gz UBRHPDHTQUDQFA-UHFFFAOYSA-N 1 0 289.257 2.364 20 5 CEBDRO CC(C)C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070696 345932687 /nfs/dbraw/zinc/93/26/87/345932687.db2.gz ITIVZKLBJSIHIU-JTQLQIEISA-N 1 0 282.344 2.084 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596217871 345972250 /nfs/dbraw/zinc/97/22/50/345972250.db2.gz YOPWROCVGSXGCZ-LLVKDONJSA-N 1 0 294.355 2.228 20 5 CEBDRO O=c1[nH]ccc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596218149 345972672 /nfs/dbraw/zinc/97/26/72/345972672.db2.gz VNEKWHWMGJKPCJ-UHFFFAOYSA-N 1 0 292.339 2.124 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596305908 345995375 /nfs/dbraw/zinc/99/53/75/345995375.db2.gz CRNQFCVFUINZLF-NSHDSACASA-N 1 0 278.356 2.005 20 5 CEBDRO Cc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305830 345995456 /nfs/dbraw/zinc/99/54/56/345995456.db2.gz BAEKBKAWXSIOGN-LLVKDONJSA-N 1 0 278.356 2.005 20 5 CEBDRO Cc1ccnc(NCC[C@@H](C)[NH+](C)C)c1[N+](=O)[O-] ZINC000596431096 346022145 /nfs/dbraw/zinc/02/21/45/346022145.db2.gz MQWXLQYRGLSOLD-SNVBAGLBSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1cnc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596433834 346022522 /nfs/dbraw/zinc/02/25/22/346022522.db2.gz URVBUZQOJSHBEF-JTQLQIEISA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1cc(NCCN2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433994 346022731 /nfs/dbraw/zinc/02/27/31/346022731.db2.gz WCNXOMWLJMVEGM-ZJUUUORDSA-N 1 0 299.396 2.486 20 5 CEBDRO C[NH+](C)CCC[C@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000596569611 346057625 /nfs/dbraw/zinc/05/76/25/346057625.db2.gz YRLKKSUWQSZVQD-ZDUSSCGKSA-N 1 0 293.367 2.142 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597220110 346152052 /nfs/dbraw/zinc/15/20/52/346152052.db2.gz DRRMMBICZORMOF-AOOOYVTPSA-N 1 0 298.726 2.289 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597231104 346156197 /nfs/dbraw/zinc/15/61/97/346156197.db2.gz NNYLBEHMMNYRHU-KGLIPLIRSA-N 1 0 276.336 2.372 20 5 CEBDRO C[C@H](O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597235303 346157191 /nfs/dbraw/zinc/15/71/91/346157191.db2.gz XSAAGPLCAIHRHO-QZPNVGJNSA-N 1 0 262.309 2.111 20 5 CEBDRO C/C=C/C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599078050 346456587 /nfs/dbraw/zinc/45/65/87/346456587.db2.gz DBHOJZCSLBXGHJ-JGLYPNHGSA-N 1 0 264.329 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1COC1)CCC2 ZINC000599083939 346458119 /nfs/dbraw/zinc/45/81/19/346458119.db2.gz YNFIMKVTAQHSKR-CQSZACIVSA-N 1 0 262.309 2.208 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599094172 346459229 /nfs/dbraw/zinc/45/92/29/346459229.db2.gz ZCNRQSOOGGLHQT-LPWJVIDDSA-N 1 0 294.355 2.042 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599137634 346465610 /nfs/dbraw/zinc/46/56/10/346465610.db2.gz AFERTOQYXKZDBH-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000122166647 136537833 /nfs/dbraw/zinc/53/78/33/136537833.db2.gz OGSJMBVWPKMYHY-UHFFFAOYSA-N 1 0 261.325 2.127 20 5 CEBDRO C[C@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599349445 346504230 /nfs/dbraw/zinc/50/42/30/346504230.db2.gz OHLCYRQEBXBALA-LBPRGKRZSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000129031147 365819357 /nfs/dbraw/zinc/81/93/57/365819357.db2.gz CGNJXPUYQOESDW-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712226 346675741 /nfs/dbraw/zinc/67/57/41/346675741.db2.gz UZUSYJKSYFQIAL-DZGCQCFKSA-N 1 0 293.367 2.014 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1Cc1csc([N+](=O)[O-])c1 ZINC000600714824 346676608 /nfs/dbraw/zinc/67/66/08/346676608.db2.gz PUYMDJBUTBETQA-LLVKDONJSA-N 1 0 269.370 2.086 20 5 CEBDRO CCN(CC[NH3+])[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600720905 346678322 /nfs/dbraw/zinc/67/83/22/346678322.db2.gz RNTVTTRTPXOQKX-LLVKDONJSA-N 1 0 251.330 2.245 20 5 CEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442084 187371236 /nfs/dbraw/zinc/37/12/36/187371236.db2.gz FRCICQXVBHXTTQ-RYUDHWBXSA-N 1 0 284.743 2.497 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128452397 187371435 /nfs/dbraw/zinc/37/14/35/187371435.db2.gz ICLRQNOZNREBSR-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO COc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453136 187371642 /nfs/dbraw/zinc/37/16/42/187371642.db2.gz RSQRECZNYINGDQ-CYBMUJFWSA-N 1 0 295.383 2.409 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601139584 346766146 /nfs/dbraw/zinc/76/61/46/346766146.db2.gz GHYJJHDSENFOPI-LBPRGKRZSA-N 1 0 252.314 2.236 20 5 CEBDRO CCC[C@@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601139977 346766954 /nfs/dbraw/zinc/76/69/54/346766954.db2.gz OMXAUBNQAHECFB-JTQLQIEISA-N 1 0 258.343 2.297 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601103902 346753593 /nfs/dbraw/zinc/75/35/93/346753593.db2.gz LTMNBEFCDLWIKG-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CCCOC3)c2c1 ZINC000601106000 346754128 /nfs/dbraw/zinc/75/41/28/346754128.db2.gz JUYNQKKALMEBIX-NSHDSACASA-N 1 0 287.319 2.403 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC([NH+]2CCCC2)C1 ZINC000601193880 346782897 /nfs/dbraw/zinc/78/28/97/346782897.db2.gz RAVJQHPWDVEPMX-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000602797116 347203001 /nfs/dbraw/zinc/20/30/01/347203001.db2.gz BNTVRJRANSJCFY-NWDGAFQWSA-N 1 0 280.372 2.468 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C(C)C ZINC000602763547 347188336 /nfs/dbraw/zinc/18/83/36/347188336.db2.gz LWKQKZSOEUDZDA-GFCCVEGCSA-N 1 0 266.345 2.220 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602931201 347250635 /nfs/dbraw/zinc/25/06/35/347250635.db2.gz MWCZMZVVWAQMJC-OLZOCXBDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H]1OCC[C@@H]1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602826470 347215532 /nfs/dbraw/zinc/21/55/32/347215532.db2.gz VSFVXTDGJLXKDV-TZMCWYRMSA-N 1 0 278.352 2.494 20 5 CEBDRO Cn1cc(CN2CCSC[C@@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602844116 347221519 /nfs/dbraw/zinc/22/15/19/347221519.db2.gz AJQIKRJCAUIAHH-GFCCVEGCSA-N 1 0 296.396 2.046 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CC(C)C)CC1 ZINC000602902702 347242656 /nfs/dbraw/zinc/24/26/56/347242656.db2.gz LFVUJIAUKMKKDW-UHFFFAOYSA-N 1 0 266.345 2.268 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602982385 347265911 /nfs/dbraw/zinc/26/59/11/347265911.db2.gz RUZHSCRFVQREMW-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1(C)C ZINC000603406445 347361502 /nfs/dbraw/zinc/36/15/02/347361502.db2.gz LVCYYZBDRNUWEW-QWRGUYRKSA-N 1 0 264.329 2.130 20 5 CEBDRO COC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532335 362831737 /nfs/dbraw/zinc/83/17/37/362831737.db2.gz DGANIZQAKOMHLL-UHFFFAOYSA-N 1 0 280.324 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)nc1 ZINC000608909274 347623703 /nfs/dbraw/zinc/62/37/03/347623703.db2.gz HKAMFJCVVWHUHB-UHFFFAOYSA-N 1 0 282.263 2.314 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000608982477 347624989 /nfs/dbraw/zinc/62/49/89/347624989.db2.gz MYSPZHBXUIEUJG-JTQLQIEISA-N 1 0 260.297 2.477 20 5 CEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583774 347645279 /nfs/dbraw/zinc/64/52/79/347645279.db2.gz VKJIAJLKOWFFMJ-LLVKDONJSA-N 1 0 291.351 2.055 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000609875589 347654363 /nfs/dbraw/zinc/65/43/63/347654363.db2.gz YDBBEEITMJYYTI-NSHDSACASA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1nccn1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839194 365910210 /nfs/dbraw/zinc/91/02/10/365910210.db2.gz ODZLQJBKRKLBLP-LLVKDONJSA-N 1 0 274.324 2.451 20 5 CEBDRO Cc1ccc(C[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610395553 347677793 /nfs/dbraw/zinc/67/77/93/347677793.db2.gz XAYRFMLLTNDJMQ-LBPRGKRZSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420506 347680066 /nfs/dbraw/zinc/68/00/66/347680066.db2.gz CWRXTCOJSQNTEL-CHWSQXEVSA-N 1 0 294.351 2.299 20 5 CEBDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420508 347680183 /nfs/dbraw/zinc/68/01/83/347680183.db2.gz CWRXTCOJSQNTEL-QWHCGFSZSA-N 1 0 294.351 2.299 20 5 CEBDRO C[NH+](C)CCOC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610479259 347683443 /nfs/dbraw/zinc/68/34/43/347683443.db2.gz CQTZYYMOJTUEFT-UHFFFAOYSA-N 1 0 299.396 2.203 20 5 CEBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585530 347694426 /nfs/dbraw/zinc/69/44/26/347694426.db2.gz RXSYHIDMXCIJKF-WCQYABFASA-N 1 0 289.335 2.408 20 5 CEBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611165755 347746226 /nfs/dbraw/zinc/74/62/26/347746226.db2.gz JCAINRVEKLHEEN-NSHDSACASA-N 1 0 297.380 2.322 20 5 CEBDRO Cn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000130388249 365951116 /nfs/dbraw/zinc/95/11/16/365951116.db2.gz LGBQMIOZBMAXCW-UHFFFAOYSA-N 1 0 286.335 2.493 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000128807428 187391660 /nfs/dbraw/zinc/39/16/60/187391660.db2.gz HKNQHGYGYPPNSR-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO COc1cc(C[NH2+]CC[C@H](C)F)c([N+](=O)[O-])cc1OC ZINC000339482221 215201061 /nfs/dbraw/zinc/20/10/61/215201061.db2.gz GTHXQSYAKTWHPJ-VIFPVBQESA-N 1 0 286.303 2.450 20 5 CEBDRO CC[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000618308944 348923735 /nfs/dbraw/zinc/92/37/35/348923735.db2.gz YQAFJIJDEHXPTR-CQSZACIVSA-N 1 0 290.323 2.130 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2COC2)cc1[N+](=O)[O-] ZINC000618905616 349063946 /nfs/dbraw/zinc/06/39/46/349063946.db2.gz ZNLFKGZCPVYHAK-JTQLQIEISA-N 1 0 250.298 2.200 20 5 CEBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000619695358 349219211 /nfs/dbraw/zinc/21/92/11/349219211.db2.gz VMNSPGXBBXQVJF-SECBINFHSA-N 1 0 270.358 2.018 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)OC ZINC000619531687 349194562 /nfs/dbraw/zinc/19/45/62/349194562.db2.gz XBSXJLSASDMEPH-UHFFFAOYSA-N 1 0 282.340 2.460 20 5 CEBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000339635492 215280578 /nfs/dbraw/zinc/28/05/78/215280578.db2.gz ZOCDRZAARTUWRX-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720989 180031968 /nfs/dbraw/zinc/03/19/68/180031968.db2.gz GIDRIXQCXJHTJO-YPMHNXCESA-N 1 0 263.341 2.167 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000104954574 186034836 /nfs/dbraw/zinc/03/48/36/186034836.db2.gz CEENWNXUAFCBBT-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000271350003 191088960 /nfs/dbraw/zinc/08/89/60/191088960.db2.gz POHBGCNALSNCDW-GXTWGEPZSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000107889244 186196613 /nfs/dbraw/zinc/19/66/13/186196613.db2.gz KFUMBJOGAUQNMN-SNVBAGLBSA-N 1 0 297.380 2.036 20 5 CEBDRO COC1CC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000352219485 219368304 /nfs/dbraw/zinc/36/83/04/219368304.db2.gz DKQPLUVNKBBTGF-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504829 186257352 /nfs/dbraw/zinc/25/73/52/186257352.db2.gz MGCBMETYNLDRNM-JGVFFNPUSA-N 1 0 262.269 2.096 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000109705804 186269523 /nfs/dbraw/zinc/26/95/23/186269523.db2.gz LHJBNNXTWWZWJV-JXMROGBWSA-N 1 0 291.351 2.242 20 5 CEBDRO COc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074559 363027080 /nfs/dbraw/zinc/02/70/80/363027080.db2.gz STXNJAHNRFYBAJ-YPMHNXCESA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131272115 366037520 /nfs/dbraw/zinc/03/75/20/366037520.db2.gz PUPBTOCLIYOEGY-JQWIXIFHSA-N 1 0 250.298 2.343 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000070496009 363091067 /nfs/dbraw/zinc/09/10/67/363091067.db2.gz DTDDCWXOOLLGCC-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO Cc1ccnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000070495915 363091746 /nfs/dbraw/zinc/09/17/46/363091746.db2.gz OYFPWWPPVPMQBH-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122318099 187026541 /nfs/dbraw/zinc/02/65/41/187026541.db2.gz MACBIAHMIHGWBW-WCQYABFASA-N 1 0 275.352 2.310 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000122420856 187031416 /nfs/dbraw/zinc/03/14/16/187031416.db2.gz VIDSNXZHOPATRX-RISCZKNCSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+](C)C ZINC000291875695 198092404 /nfs/dbraw/zinc/09/24/04/198092404.db2.gz OADGOLWYWCMNAT-JTQLQIEISA-N 1 0 279.340 2.407 20 5 CEBDRO C[NH2+][C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000123186806 187076588 /nfs/dbraw/zinc/07/65/88/187076588.db2.gz PTCAWWDRPUFTJT-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000122915405 187059334 /nfs/dbraw/zinc/05/93/34/187059334.db2.gz GQFUMXAAPMSMEH-FZMZJTMJSA-N 1 0 291.351 2.150 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575084 363097272 /nfs/dbraw/zinc/09/72/72/363097272.db2.gz AHQDCSAJFDOINL-WDEREUQCSA-N 1 0 277.324 2.359 20 5 CEBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648640 187102890 /nfs/dbraw/zinc/10/28/90/187102890.db2.gz ZUYPXXYTPOBHAI-AWEZNQCLSA-N 1 0 265.357 2.400 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000337215809 366082578 /nfs/dbraw/zinc/08/25/78/366082578.db2.gz HBTUPMJWXIXHLS-JQWIXIFHSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCCNC2=O)cccc1[N+](=O)[O-] ZINC000134081440 187725211 /nfs/dbraw/zinc/72/52/11/187725211.db2.gz KMQFZTHMUIJHDM-AAEUAGOBSA-N 1 0 291.351 2.223 20 5 CEBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000292067692 198150720 /nfs/dbraw/zinc/15/07/20/198150720.db2.gz DEUJGFDJHDEMEQ-UHFFFAOYSA-N 1 0 292.314 2.455 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494238303 290963809 /nfs/dbraw/zinc/96/38/09/290963809.db2.gz PXVZHEGYQGGQCV-NOZJJQNGSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000240 363190921 /nfs/dbraw/zinc/19/09/21/363190921.db2.gz GIFOCUHNELKCGQ-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO CC[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292125288 198173411 /nfs/dbraw/zinc/17/34/11/198173411.db2.gz AWJMGGKTMGUJCW-YPMHNXCESA-N 1 0 250.298 2.113 20 5 CEBDRO CCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073141089 363200274 /nfs/dbraw/zinc/20/02/74/363200274.db2.gz VDSUMPQBMUMPEI-UHFFFAOYSA-N 1 0 279.340 2.290 20 5 CEBDRO CC[NH+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000073180893 363203866 /nfs/dbraw/zinc/20/38/66/363203866.db2.gz ZOUFBVVEEOJRSE-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423687 188018022 /nfs/dbraw/zinc/01/80/22/188018022.db2.gz CQFPOUWEWFEZNJ-NWDGAFQWSA-N 1 0 291.351 2.175 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000271665354 191267515 /nfs/dbraw/zinc/26/75/15/191267515.db2.gz VZKSIFVDHFLNAZ-UHFFFAOYSA-N 1 0 279.340 2.249 20 5 CEBDRO COc1cc(NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000271670405 191269427 /nfs/dbraw/zinc/26/94/27/191269427.db2.gz WYAAUODBQUNZMO-UHFFFAOYSA-N 1 0 283.303 2.250 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708143 191285860 /nfs/dbraw/zinc/28/58/60/191285860.db2.gz IOPVUSDFWFJBIJ-GHMZBOCLSA-N 1 0 278.308 2.199 20 5 CEBDRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708146 191285174 /nfs/dbraw/zinc/28/51/74/191285174.db2.gz IOPVUSDFWFJBIJ-QWRGUYRKSA-N 1 0 278.308 2.199 20 5 CEBDRO CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])[NH+](C)C ZINC000073856070 363259156 /nfs/dbraw/zinc/25/91/56/363259156.db2.gz GYBTXQIWKQPVEQ-LLVKDONJSA-N 1 0 266.345 2.378 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000132043460 366112621 /nfs/dbraw/zinc/11/26/21/366112621.db2.gz BOWIUSPMQLMXOY-DIECRNLCSA-N 1 0 262.309 2.329 20 5 CEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000074996666 363432212 /nfs/dbraw/zinc/43/22/12/363432212.db2.gz AOVDPDCGWSFTRS-DZGCQCFKSA-N 1 0 275.352 2.263 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569929359 299227345 /nfs/dbraw/zinc/22/73/45/299227345.db2.gz PRBQDUMVMPGDPN-QWRGUYRKSA-N 1 0 293.367 2.376 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230877 291063148 /nfs/dbraw/zinc/06/31/48/291063148.db2.gz DQWYDONKXQDSFZ-NWDGAFQWSA-N 1 0 276.340 2.053 20 5 CEBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000273563495 192204848 /nfs/dbraw/zinc/20/48/48/192204848.db2.gz CDOHYRNGCSAKRB-LBPRGKRZSA-N 1 0 281.360 2.163 20 5 CEBDRO Cc1nn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000575430785 366285503 /nfs/dbraw/zinc/28/55/03/366285503.db2.gz KBTIOUBMNWEART-PHIMTYICSA-N 1 0 266.345 2.078 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000134430770 366321995 /nfs/dbraw/zinc/32/19/95/366321995.db2.gz JEAOSMCXFKGUOW-CQSZACIVSA-N 1 0 280.368 2.476 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134644428 366348967 /nfs/dbraw/zinc/34/89/67/366348967.db2.gz YQKGEWCTNXFIKS-NTZNESFSSA-N 1 0 262.309 2.182 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134980200 366381260 /nfs/dbraw/zinc/38/12/60/366381260.db2.gz VFGUXTDJEXRYPI-DTWKUNHWSA-N 1 0 272.732 2.355 20 5 CEBDRO C[NH+](C)CCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491885288 290543637 /nfs/dbraw/zinc/54/36/37/290543637.db2.gz LHOYJETUAROKGR-CMDGGOBGSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H](CCCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000294748065 199165054 /nfs/dbraw/zinc/16/50/54/199165054.db2.gz HUVIJTQGMCQIKI-VIFPVBQESA-N 1 0 258.343 2.155 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306432 366423991 /nfs/dbraw/zinc/42/39/91/366423991.db2.gz IZMKUGBVANWGCM-KWBADKCTSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000135461574 366442271 /nfs/dbraw/zinc/44/22/71/366442271.db2.gz PZHDJRCPZVSOHL-JTQLQIEISA-N 1 0 250.298 2.160 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000176377864 283382501 /nfs/dbraw/zinc/38/25/01/283382501.db2.gz RZCUTCBGFPGAOP-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415508516 236676781 /nfs/dbraw/zinc/67/67/81/236676781.db2.gz VDBXFQIRFGQSSN-MFKMUULPSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000578327532 366479365 /nfs/dbraw/zinc/47/93/65/366479365.db2.gz ZXSQSQIWICWIIX-AWEZNQCLSA-N 1 0 298.346 2.427 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338772162 366516364 /nfs/dbraw/zinc/51/63/64/366516364.db2.gz XZRPYJKMSOZSFW-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177056895 189024502 /nfs/dbraw/zinc/02/45/02/189024502.db2.gz ZYDCZLCXFSVWRV-WCBMZHEXSA-N 1 0 295.364 2.011 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000178235158 189100093 /nfs/dbraw/zinc/10/00/93/189100093.db2.gz GFAJUZQEMJHYQF-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@H]1CSCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178863586 189151481 /nfs/dbraw/zinc/15/14/81/189151481.db2.gz ZWPOQVLVUKGDFW-GWCFXTLKSA-N 1 0 282.365 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCCCO)C2CC2)cc1 ZINC000152554110 366703140 /nfs/dbraw/zinc/70/31/40/366703140.db2.gz RHQSSDCKQCXVQR-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO CC[C@H](NC(=O)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236986071 370672417 /nfs/dbraw/zinc/67/24/17/370672417.db2.gz IRXYPUUUDOAKCM-AWEZNQCLSA-N 1 0 291.351 2.162 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000153852567 366741529 /nfs/dbraw/zinc/74/15/29/366741529.db2.gz IDVPKYVKKQGEQR-CQSZACIVSA-N 1 0 291.351 2.007 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237093541 370690590 /nfs/dbraw/zinc/69/05/90/370690590.db2.gz UHYRGWDHNDWGGX-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182208596 189317250 /nfs/dbraw/zinc/31/72/50/189317250.db2.gz QHPTXVZATMORSL-CYBMUJFWSA-N 1 0 296.367 2.312 20 5 CEBDRO COCC[C@@H](COC)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353129845 219908225 /nfs/dbraw/zinc/90/82/25/219908225.db2.gz TZRLPKVDXBJGQE-DYLGSBMWSA-N 1 0 294.351 2.249 20 5 CEBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])CCOCC1 ZINC000302037354 201312956 /nfs/dbraw/zinc/31/29/56/201312956.db2.gz VDDHQHFZTQMFCF-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089107449 363932273 /nfs/dbraw/zinc/93/22/73/363932273.db2.gz ZSCYKRYESUXWRY-SMDDNHRTSA-N 1 0 291.351 2.151 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092537092 364078665 /nfs/dbraw/zinc/07/86/65/364078665.db2.gz VKNVASYZLMDIRM-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCSCC2)cc1 ZINC000089980374 364027005 /nfs/dbraw/zinc/02/70/05/364027005.db2.gz DIWVBOJCYZAXGV-UHFFFAOYSA-N 1 0 282.365 2.413 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCSCC2)c1 ZINC000089985238 364027773 /nfs/dbraw/zinc/02/77/73/364027773.db2.gz ZYIKVDUSYDPESO-UHFFFAOYSA-N 1 0 282.365 2.413 20 5 CEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000094997046 364321190 /nfs/dbraw/zinc/32/11/90/364321190.db2.gz SSSRYMBKHZZSLX-ZWNOBZJWSA-N 1 0 292.335 2.144 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000094774804 364295646 /nfs/dbraw/zinc/29/56/46/364295646.db2.gz FFQWELQDVJBGDY-CYBMUJFWSA-N 1 0 293.342 2.404 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1F ZINC000094774973 364295934 /nfs/dbraw/zinc/29/59/34/364295934.db2.gz OYLDQLPEDSCAOI-CYBMUJFWSA-N 1 0 293.342 2.404 20 5 CEBDRO CC[C@H](CCO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094949832 364314922 /nfs/dbraw/zinc/31/49/22/364314922.db2.gz SAWJBUNBZSXIIE-SECBINFHSA-N 1 0 258.343 2.155 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191221580 189587061 /nfs/dbraw/zinc/58/70/61/189587061.db2.gz FYVVXHUEGRXNDK-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000112837384 364849260 /nfs/dbraw/zinc/84/92/60/364849260.db2.gz RXBHDOGQMQIHFY-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000112837382 364849430 /nfs/dbraw/zinc/84/94/30/364849430.db2.gz RXBHDOGQMQIHFY-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000112987886 364862721 /nfs/dbraw/zinc/86/27/21/364862721.db2.gz IGSXGVHTUKPFIP-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000115443959 365005980 /nfs/dbraw/zinc/00/59/80/365005980.db2.gz QIRQIJZYLZAGGS-GFCCVEGCSA-N 1 0 291.351 2.009 20 5 CEBDRO CCC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159145090 366882076 /nfs/dbraw/zinc/88/20/76/366882076.db2.gz WOUVFFIMEHGNPW-AWEZNQCLSA-N 1 0 293.367 2.161 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000582204713 366878417 /nfs/dbraw/zinc/87/84/17/366878417.db2.gz HPRWAVUBTRFZOA-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC12CCC[NH+]1CCC2 ZINC000340843795 367054294 /nfs/dbraw/zinc/05/42/94/367054294.db2.gz BDHNUSNSDKQMGB-UHFFFAOYSA-N 1 0 293.371 2.160 20 5 CEBDRO C[C@@H](O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000161727743 367109311 /nfs/dbraw/zinc/10/93/11/367109311.db2.gz QQSUSVUPKJZBDQ-ZJUUUORDSA-N 1 0 284.743 2.451 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000341126986 367185520 /nfs/dbraw/zinc/18/55/20/367185520.db2.gz RMYFJIZIQGUMRE-NSHDSACASA-N 1 0 280.372 2.252 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000162969182 367208387 /nfs/dbraw/zinc/20/83/87/367208387.db2.gz ONYFXGLYYAQGIM-BZPMIXESSA-N 1 0 293.367 2.171 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1cnccn1 ZINC000341309921 367279133 /nfs/dbraw/zinc/27/91/33/367279133.db2.gz PZDWCFUNDQCVPL-HWKANZROSA-N 1 0 284.319 2.230 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163432804 367238970 /nfs/dbraw/zinc/23/89/70/367238970.db2.gz ZEIDCQJEQBOXRM-FDMGOTLNSA-N 1 0 284.381 2.403 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCO1 ZINC000342592010 367438773 /nfs/dbraw/zinc/43/87/73/367438773.db2.gz FDGLNKUGRIUQPT-AWEZNQCLSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342748453 367513854 /nfs/dbraw/zinc/51/38/54/367513854.db2.gz JAXJPXJWJKOOBR-MJVIPROJSA-N 1 0 291.351 2.160 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343550748 367878156 /nfs/dbraw/zinc/87/81/56/367878156.db2.gz LBVLBWKYUORYQS-CHWSQXEVSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1cnc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343530737 367867740 /nfs/dbraw/zinc/86/77/40/367867740.db2.gz OXAMGEOLRZXQGW-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173448504 367912384 /nfs/dbraw/zinc/91/23/84/367912384.db2.gz GRHCPFNTAATHQS-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000174663517 368054503 /nfs/dbraw/zinc/05/45/03/368054503.db2.gz VRIOATFJGXIBQI-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174846231 368072577 /nfs/dbraw/zinc/07/25/77/368072577.db2.gz FYCXCYFBJCWFIK-GHMZBOCLSA-N 1 0 252.318 2.054 20 5 CEBDRO CCSCC[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174882752 368076371 /nfs/dbraw/zinc/07/63/71/368076371.db2.gz KEJCQHOSXHYTOY-LLVKDONJSA-N 1 0 286.401 2.255 20 5 CEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183364342 368625162 /nfs/dbraw/zinc/62/51/62/368625162.db2.gz QLERPOJPIIZFKN-ZDUSSCGKSA-N 1 0 292.335 2.431 20 5 CEBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000348276956 368981823 /nfs/dbraw/zinc/98/18/23/368981823.db2.gz QFPVRLSIMRRBKA-LBPRGKRZSA-N 1 0 250.298 2.206 20 5 CEBDRO CSC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187946790 369257700 /nfs/dbraw/zinc/25/77/00/369257700.db2.gz NXCDXHQVYFKRIJ-AWEZNQCLSA-N 1 0 296.392 2.283 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349314754 369295798 /nfs/dbraw/zinc/29/57/98/369295798.db2.gz JKHQTZZLNUMGRL-NSHDSACASA-N 1 0 292.257 2.306 20 5 CEBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349414231 369323393 /nfs/dbraw/zinc/32/33/93/369323393.db2.gz MXSMZBROPUKNCC-RYUDHWBXSA-N 1 0 292.383 2.395 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC=CCC1 ZINC000330851295 203311231 /nfs/dbraw/zinc/31/12/31/203311231.db2.gz PZFFHBPRADMGFC-GFCCVEGCSA-N 1 0 264.329 2.079 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188672896 369392715 /nfs/dbraw/zinc/39/27/15/369392715.db2.gz XWJUVNCNUYMUSN-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO CC(C)OCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883646 369437227 /nfs/dbraw/zinc/43/72/27/369437227.db2.gz OTGQSYCVSLVQOI-QWHCGFSZSA-N 1 0 296.367 2.421 20 5 CEBDRO CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)COC1 ZINC000343766154 216906934 /nfs/dbraw/zinc/90/69/34/216906934.db2.gz OUBZQOHLNHFSFO-UHFFFAOYSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000358256579 370975874 /nfs/dbraw/zinc/97/58/74/370975874.db2.gz UHDCDUNMPVUQHZ-GFCCVEGCSA-N 1 0 288.351 2.439 20 5 CEBDRO C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000192191332 369779365 /nfs/dbraw/zinc/77/93/65/369779365.db2.gz OUXGLOGNGTVJIR-FZMZJTMJSA-N 1 0 296.392 2.456 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSC[C@H]1C ZINC000352791829 369880237 /nfs/dbraw/zinc/88/02/37/369880237.db2.gz JFLUUHBCBCISKJ-SKDRFNHKSA-N 1 0 282.365 2.445 20 5 CEBDRO CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193691883 369971744 /nfs/dbraw/zinc/97/17/44/369971744.db2.gz HODAFZPYIDYDGL-UHFFFAOYSA-N 1 0 265.269 2.487 20 5 CEBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902985 369942894 /nfs/dbraw/zinc/94/28/94/369942894.db2.gz ODCVLABKDNKFCQ-BLLLJJGKSA-N 1 0 289.379 2.210 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353163697 370047920 /nfs/dbraw/zinc/04/79/20/370047920.db2.gz CRMPGMMLNJRUGW-KGLIPLIRSA-N 1 0 298.314 2.018 20 5 CEBDRO CC(C)[NH2+]C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195512871 370135739 /nfs/dbraw/zinc/13/57/39/370135739.db2.gz NGPIJXXTEOEVHO-UHFFFAOYSA-N 1 0 270.358 2.018 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000217391260 370195110 /nfs/dbraw/zinc/19/51/10/370195110.db2.gz YOQCRCXFIVFQIE-JTQLQIEISA-N 1 0 271.386 2.476 20 5 CEBDRO CN(c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354079861 370208484 /nfs/dbraw/zinc/20/84/84/370208484.db2.gz MHHYHXYFDGBYMG-LBPRGKRZSA-N 1 0 261.325 2.268 20 5 CEBDRO COc1ccc(CNCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000223448461 370265621 /nfs/dbraw/zinc/26/56/21/370265621.db2.gz GKGFYNCFHLKGOQ-UHFFFAOYSA-N 1 0 295.383 2.423 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227651050 370377979 /nfs/dbraw/zinc/37/79/79/370377979.db2.gz DLXDGOKIYPDZPU-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230689161 370465138 /nfs/dbraw/zinc/46/51/38/370465138.db2.gz LAPZSWFVNGDYSM-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO Cc1c(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231489290 370482241 /nfs/dbraw/zinc/48/22/41/370482241.db2.gz ALJHOOIVXCMJKD-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000234888522 370547278 /nfs/dbraw/zinc/54/72/78/370547278.db2.gz JYBJRLKIBFCKEN-YGRLFVJLSA-N 1 0 280.324 2.261 20 5 CEBDRO CC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331639209 204036396 /nfs/dbraw/zinc/03/63/96/204036396.db2.gz MQYRERGHFJNSRM-LLVKDONJSA-N 1 0 266.345 2.340 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000249012375 371282607 /nfs/dbraw/zinc/28/26/07/371282607.db2.gz IUVUZCPFUMBWMN-DABQJJPHSA-N 1 0 294.351 2.207 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCSC2)n1 ZINC000359032477 371309039 /nfs/dbraw/zinc/30/90/39/371309039.db2.gz CULNCNNTKOTCIU-QJPTWQEYSA-N 1 0 296.396 2.370 20 5 CEBDRO CC(C)(NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000236674329 189838139 /nfs/dbraw/zinc/83/81/39/189838139.db2.gz NRXKIGQFKMFRAI-JQWIXIFHSA-N 1 0 291.351 2.074 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249604594 371346378 /nfs/dbraw/zinc/34/63/78/371346378.db2.gz ZHRZNULIVJGQAV-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000251521887 371405389 /nfs/dbraw/zinc/40/53/89/371405389.db2.gz CTGPPGLXAOKGBO-IAQYHMDHSA-N 1 0 294.351 2.460 20 5 CEBDRO C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000251561601 371406637 /nfs/dbraw/zinc/40/66/37/371406637.db2.gz AIEVMVZQFZPFSC-WFASDCNBSA-N 1 0 277.368 2.197 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251689640 371412893 /nfs/dbraw/zinc/41/28/93/371412893.db2.gz IGYJNUVUAAOLEV-BXKDBHETSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253200966 371501701 /nfs/dbraw/zinc/50/17/01/371501701.db2.gz XJXHMUSTONPBOU-MWLCHTKSSA-N 1 0 269.370 2.073 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187937 371502177 /nfs/dbraw/zinc/50/21/77/371502177.db2.gz JNFHSTYBIPYQCE-DGCLKSJQSA-N 1 0 263.341 2.012 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810055 213678185 /nfs/dbraw/zinc/67/81/85/213678185.db2.gz GYBXBBFNMOBQCV-ZANVPECISA-N 1 0 268.288 2.391 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000360949231 371555755 /nfs/dbraw/zinc/55/57/55/371555755.db2.gz HOHNMPPKRYJGGO-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000361045613 371618021 /nfs/dbraw/zinc/61/80/21/371618021.db2.gz YDYIWQZSBVTHIS-GHMZBOCLSA-N 1 0 282.340 2.243 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](C)O ZINC000361008796 371596499 /nfs/dbraw/zinc/59/64/99/371596499.db2.gz HHYMVISRRBAOCC-RDQDRAATSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@H](CCNc1ccncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000361058390 371625375 /nfs/dbraw/zinc/62/53/75/371625375.db2.gz PIKYUMMUUCIHDW-LBPRGKRZSA-N 1 0 278.356 2.088 20 5 CEBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000337226155 213943385 /nfs/dbraw/zinc/94/33/85/213943385.db2.gz QQJUBZXJIMGYHG-PWSUYJOCSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361152191 371683345 /nfs/dbraw/zinc/68/33/45/371683345.db2.gz HFJADDIHGJRQEW-OLZOCXBDSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000261652617 371692765 /nfs/dbraw/zinc/69/27/65/371692765.db2.gz DKAGYBLNIIGIJN-JQWIXIFHSA-N 1 0 281.331 2.151 20 5 CEBDRO CCCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[NH2+]C1 ZINC000261679236 371699564 /nfs/dbraw/zinc/69/95/64/371699564.db2.gz GMPPJCVVKOAXKI-CYBMUJFWSA-N 1 0 281.331 2.308 20 5 CEBDRO Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695816 371703405 /nfs/dbraw/zinc/70/34/05/371703405.db2.gz LAJFRUOYJDHWKB-CQSZACIVSA-N 1 0 263.341 2.074 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000262213428 371838925 /nfs/dbraw/zinc/83/89/25/371838925.db2.gz LTZGTDROSIGRIA-MRXNPFEDSA-N 1 0 298.346 2.136 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000361663795 372013634 /nfs/dbraw/zinc/01/36/34/372013634.db2.gz WWOQMWKZRDHUNR-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000268852208 372255212 /nfs/dbraw/zinc/25/52/12/372255212.db2.gz HMKLHTFRUBUWHI-WFASDCNBSA-N 1 0 291.395 2.456 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000268880953 372269800 /nfs/dbraw/zinc/26/98/00/372269800.db2.gz XPHLTNFRNAXWDG-KWQFWETISA-N 1 0 292.257 2.477 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000344385458 217177765 /nfs/dbraw/zinc/17/77/65/217177765.db2.gz PHGVRMHBAYXLEF-ZDUSSCGKSA-N 1 0 250.298 2.111 20 5 CEBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269619412 372507785 /nfs/dbraw/zinc/50/77/85/372507785.db2.gz ADNVTYDEJGOQLH-ZDUSSCGKSA-N 1 0 296.392 2.456 20 5 CEBDRO CCC[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269630374 372511362 /nfs/dbraw/zinc/51/13/62/372511362.db2.gz FHBFQUKBUYARGW-ZDUSSCGKSA-N 1 0 252.314 2.360 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000269772565 372562970 /nfs/dbraw/zinc/56/29/70/372562970.db2.gz BUNSZCFBUDYVQJ-GXSJLCMTSA-N 1 0 270.354 2.392 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000270066268 372654657 /nfs/dbraw/zinc/65/46/57/372654657.db2.gz HRRFFMATWHUJHT-DZGCQCFKSA-N 1 0 278.352 2.230 20 5 CEBDRO COc1cc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000364297828 372718812 /nfs/dbraw/zinc/71/88/12/372718812.db2.gz BJCJETGCZFVNFU-RISCZKNCSA-N 1 0 291.351 2.134 20 5 CEBDRO COC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272074601 373293234 /nfs/dbraw/zinc/29/32/34/373293234.db2.gz DGGIHOKUIXNJTC-VIFPVBQESA-N 1 0 272.732 2.415 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000272260006 373392361 /nfs/dbraw/zinc/39/23/61/373392361.db2.gz BMRXDSDBTWSFND-DGCLKSJQSA-N 1 0 264.325 2.421 20 5 CEBDRO COC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648123 373599530 /nfs/dbraw/zinc/59/95/30/373599530.db2.gz DUDSXZLJEONSNV-NEPJUHHUSA-N 1 0 282.340 2.215 20 5 CEBDRO Cc1cnc(N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000272652815 373602373 /nfs/dbraw/zinc/60/23/73/373602373.db2.gz AVLMISLQEHEWAK-LLVKDONJSA-N 1 0 276.340 2.361 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C ZINC000274216320 373843418 /nfs/dbraw/zinc/84/34/18/373843418.db2.gz BTFDEYNEUYCFRE-UHFFFAOYSA-N 1 0 294.355 2.237 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373297850 374320292 /nfs/dbraw/zinc/32/02/92/374320292.db2.gz BYIDNSLONAGSPK-OAHLLOKOSA-N 1 0 276.336 2.250 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276899341 374340104 /nfs/dbraw/zinc/34/01/04/374340104.db2.gz HLJJSBGQNBPXBN-UHFFFAOYSA-N 1 0 282.340 2.366 20 5 CEBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000277631606 374586605 /nfs/dbraw/zinc/58/66/05/374586605.db2.gz CFQRYXJLLXVMPV-WPRPVWTQSA-N 1 0 256.327 2.171 20 5 CEBDRO COc1cc(C[NH2+]C[C@@H]2CCSC2)c([N+](=O)[O-])cc1O ZINC000280261520 375147678 /nfs/dbraw/zinc/14/76/78/375147678.db2.gz ZZUNXEBJGXEJHR-VIFPVBQESA-N 1 0 298.364 2.152 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000378528388 375123564 /nfs/dbraw/zinc/12/35/64/375123564.db2.gz SYTJIRZAQFIDCS-GDBMZVCRSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000280582597 375252074 /nfs/dbraw/zinc/25/20/74/375252074.db2.gz WSYREBOEVIWOGM-ZDUSSCGKSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137929 375413026 /nfs/dbraw/zinc/41/30/26/375413026.db2.gz BUXZJKXHMGEPEO-OVWNDWIMSA-N 1 0 282.365 2.157 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000408172154 375422903 /nfs/dbraw/zinc/42/29/03/375422903.db2.gz SJYYCRSIZQEYSQ-OLZOCXBDSA-N 1 0 290.367 2.280 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC000408468419 375490030 /nfs/dbraw/zinc/49/00/30/375490030.db2.gz NLDDBWQREHINOW-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO Nc1ccc(N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000283716006 375749372 /nfs/dbraw/zinc/74/93/72/375749372.db2.gz FOBZKDVGRHZQSC-UHFFFAOYSA-N 1 0 287.323 2.215 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000414328680 375832537 /nfs/dbraw/zinc/83/25/37/375832537.db2.gz AUBFBXFZBMDARV-NEPJUHHUSA-N 1 0 293.367 2.467 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN(C)C ZINC000286954681 376112107 /nfs/dbraw/zinc/11/21/07/376112107.db2.gz HNWZIUXVOLPNFC-OLZOCXBDSA-N 1 0 279.384 2.456 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C)CC1 ZINC000263782561 190078450 /nfs/dbraw/zinc/07/84/50/190078450.db2.gz OKDVBVQVGDPFJI-LBPRGKRZSA-N 1 0 263.341 2.293 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305725973 376457713 /nfs/dbraw/zinc/45/77/13/376457713.db2.gz LLODNUHAYJNBIG-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+](CC)CC ZINC000312546520 376719812 /nfs/dbraw/zinc/71/98/12/376719812.db2.gz JGGGLJVJIRUARW-SNVBAGLBSA-N 1 0 283.376 2.262 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000311780495 376686348 /nfs/dbraw/zinc/68/63/48/376686348.db2.gz XERREHBHLASGGO-CYBMUJFWSA-N 1 0 268.288 2.393 20 5 CEBDRO CCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000313686774 376748445 /nfs/dbraw/zinc/74/84/45/376748445.db2.gz QGLBMVKMQYLKMS-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420998134 376772919 /nfs/dbraw/zinc/77/29/19/376772919.db2.gz HYJLLQDXZYUTFK-AWEZNQCLSA-N 1 0 293.367 2.129 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000422901940 376860712 /nfs/dbraw/zinc/86/07/12/376860712.db2.gz LWODUVKWRUKEFU-LBPRGKRZSA-N 1 0 293.367 2.459 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000290682834 376880611 /nfs/dbraw/zinc/88/06/11/376880611.db2.gz SRSWVECTXTZOKN-SECBINFHSA-N 1 0 284.335 2.458 20 5 CEBDRO CC[NH+](CC)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562385492 376882676 /nfs/dbraw/zinc/88/26/76/376882676.db2.gz HXDBASKHGWWRKJ-GFCCVEGCSA-N 1 0 293.367 2.156 20 5 CEBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291036946 377043786 /nfs/dbraw/zinc/04/37/86/377043786.db2.gz YUVCBLXXHVQDGF-CQSZACIVSA-N 1 0 278.352 2.482 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330579208 377192863 /nfs/dbraw/zinc/19/28/63/377192863.db2.gz ICIHECCDXWNSND-NEPJUHHUSA-N 1 0 293.367 2.128 20 5 CEBDRO CCC[NH2+]CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423316877 377245326 /nfs/dbraw/zinc/24/53/26/377245326.db2.gz YJEFDNVHCOBVTA-LBPRGKRZSA-N 1 0 265.357 2.115 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423275904 377199898 /nfs/dbraw/zinc/19/98/98/377199898.db2.gz MHOJXZNNRIHFFQ-GWCFXTLKSA-N 1 0 293.367 2.381 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000565048026 377541857 /nfs/dbraw/zinc/54/18/57/377541857.db2.gz KCVUNTDHOHWPQY-IUODEOHRSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000293381465 377543233 /nfs/dbraw/zinc/54/32/33/377543233.db2.gz LKJWNXHOIBHGED-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CCCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000430950719 377571531 /nfs/dbraw/zinc/57/15/31/377571531.db2.gz RZWKCXZCTGSNBS-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293518670 377604424 /nfs/dbraw/zinc/60/44/24/377604424.db2.gz VVWUTTBQBDOPBX-QWRGUYRKSA-N 1 0 277.324 2.264 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000312961893 249375990 /nfs/dbraw/zinc/37/59/90/249375990.db2.gz AZFKCNCERXSTRA-GFCCVEGCSA-N 1 0 250.298 2.109 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000565597718 377677878 /nfs/dbraw/zinc/67/78/78/377677878.db2.gz MFQJRWQUGNXGGP-LLVKDONJSA-N 1 0 290.367 2.232 20 5 CEBDRO Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293651524 377679087 /nfs/dbraw/zinc/67/90/87/377679087.db2.gz KQGQSJVEKDSBGK-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000293736995 377731613 /nfs/dbraw/zinc/73/16/13/377731613.db2.gz URYCUMCCXAFRHS-RMKNXTFCSA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898862 377813847 /nfs/dbraw/zinc/81/38/47/377813847.db2.gz WIRMKSHULAULJT-WDEREUQCSA-N 1 0 289.339 2.113 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527360 378112380 /nfs/dbraw/zinc/11/23/80/378112380.db2.gz GKHLFMWDHOXEFL-YNEHKIRRSA-N 1 0 296.371 2.026 20 5 CEBDRO COCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544362 378114981 /nfs/dbraw/zinc/11/49/81/378114981.db2.gz UQJCHRDJKDALJR-QWHCGFSZSA-N 1 0 296.371 2.291 20 5 CEBDRO COCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544363 378115251 /nfs/dbraw/zinc/11/52/51/378115251.db2.gz UQJCHRDJKDALJR-STQMWFEESA-N 1 0 296.371 2.291 20 5 CEBDRO Cc1c(C[N@@H+](C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295300324 378091785 /nfs/dbraw/zinc/09/17/85/378091785.db2.gz UYIOCDHAXXVFCE-UHFFFAOYSA-N 1 0 266.341 2.354 20 5 CEBDRO CS[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465515 378541177 /nfs/dbraw/zinc/54/11/77/378541177.db2.gz XNCYCHAVUCCUOC-OLZOCXBDSA-N 1 0 282.365 2.066 20 5 CEBDRO CCOc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450779436 378574545 /nfs/dbraw/zinc/57/45/45/378574545.db2.gz NOMJAEIIBMILOF-SMDDNHRTSA-N 1 0 291.351 2.134 20 5 CEBDRO CCn1ccnc1[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000450827457 378598519 /nfs/dbraw/zinc/59/85/19/378598519.db2.gz HVBILUHQTSWLHH-ZETCQYMHSA-N 1 0 267.314 2.441 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000450831820 378602190 /nfs/dbraw/zinc/60/21/90/378602190.db2.gz QMGBTHUNXZMSLO-GFCCVEGCSA-N 1 0 295.387 2.040 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000298511625 378751205 /nfs/dbraw/zinc/75/12/05/378751205.db2.gz UYJDYQWROWYZPG-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453012189 378772676 /nfs/dbraw/zinc/77/26/76/378772676.db2.gz IUDMAJPPHZVFGT-ZDUSSCGKSA-N 1 0 289.335 2.408 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397952 378886642 /nfs/dbraw/zinc/88/66/42/378886642.db2.gz KFIXXGXCXQFBJW-IAQYHMDHSA-N 1 0 291.351 2.223 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397955 378886788 /nfs/dbraw/zinc/88/67/88/378886788.db2.gz KFIXXGXCXQFBJW-NHYWBVRUSA-N 1 0 291.351 2.223 20 5 CEBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054544 218106327 /nfs/dbraw/zinc/10/63/27/218106327.db2.gz TYBARQFGSBZDFP-GQCTYLIASA-N 1 0 275.352 2.292 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCSC3)nc2c1 ZINC000278607583 194066961 /nfs/dbraw/zinc/06/69/61/194066961.db2.gz GIHOBSINOUNMKG-MRVPVSSYSA-N 1 0 278.337 2.066 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000347248547 218168740 /nfs/dbraw/zinc/16/87/40/218168740.db2.gz MFCGHOHHLUHVCM-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299589581 379057336 /nfs/dbraw/zinc/05/73/36/379057336.db2.gz FLORFXBPRROYNM-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574551568 299505988 /nfs/dbraw/zinc/50/59/88/299505988.db2.gz YJKSKYKJEUVBPS-ZDUSSCGKSA-N 1 0 296.758 2.223 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299682829 379105479 /nfs/dbraw/zinc/10/54/79/379105479.db2.gz WRRWLUUPXGCRDN-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456338762 379395088 /nfs/dbraw/zinc/39/50/88/379395088.db2.gz COPBDPQVNPJLHQ-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C)CC1 ZINC000302829100 379460317 /nfs/dbraw/zinc/46/03/17/379460317.db2.gz OXBNVZUWGUUTIN-UHFFFAOYSA-N 1 0 293.367 2.495 20 5 CEBDRO C[C@H](O)[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000304016666 379510131 /nfs/dbraw/zinc/51/01/31/379510131.db2.gz WVAYPVKHTCPUBS-GWCFXTLKSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000267084581 190302234 /nfs/dbraw/zinc/30/22/34/190302234.db2.gz LBSRCAZPCMXRKH-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO CCCCNC(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000523841002 379610468 /nfs/dbraw/zinc/61/04/68/379610468.db2.gz DECXHOXLASAKBZ-UHFFFAOYSA-N 1 0 293.367 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000267547148 190337586 /nfs/dbraw/zinc/33/75/86/190337586.db2.gz XADOASXHLCYAHJ-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268168689 190382957 /nfs/dbraw/zinc/38/29/57/190382957.db2.gz QEBIJAZWFSOQOR-CMPLNLGQSA-N 1 0 276.340 2.193 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000279228923 194342927 /nfs/dbraw/zinc/34/29/27/194342927.db2.gz DODOEDQTKGBZCS-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000279355944 194398746 /nfs/dbraw/zinc/39/87/46/194398746.db2.gz VVUZPGQUKHDMAY-HIFRSBDPSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000350454866 219023347 /nfs/dbraw/zinc/02/33/47/219023347.db2.gz GBJSIKDKBSGRNG-WDEREUQCSA-N 1 0 252.314 2.152 20 5 CEBDRO CO[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000353861269 220374623 /nfs/dbraw/zinc/37/46/23/220374623.db2.gz ANSWWGOLZWWLCE-AGLBCWCQSA-N 1 0 262.309 2.329 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000365058305 285173414 /nfs/dbraw/zinc/17/34/14/285173414.db2.gz ZNOBHYQIAJETRR-JTQLQIEISA-N 1 0 282.369 2.116 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281453639 195246940 /nfs/dbraw/zinc/24/69/40/195246940.db2.gz QSULKTVAPOTZJM-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO CCC[C@H]([NH2+][C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614426 195309910 /nfs/dbraw/zinc/30/99/10/195309910.db2.gz NGHWVJJCCLOTNA-HIFRSBDPSA-N 1 0 296.367 2.423 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000281779106 195378457 /nfs/dbraw/zinc/37/84/57/195378457.db2.gz HDZWPJGDXUMPIV-UHFFFAOYSA-N 1 0 296.346 2.238 20 5 CEBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863631 195933165 /nfs/dbraw/zinc/93/31/65/195933165.db2.gz BPTNZEIWEUAQRH-GXSJLCMTSA-N 1 0 267.329 2.253 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414478494 533304421 /nfs/dbraw/zinc/30/44/21/533304421.db2.gz GDOIJXNEJTZXPT-VIFPVBQESA-N 1 0 258.343 2.419 20 5 CEBDRO COc1cccc(NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000097934354 533618756 /nfs/dbraw/zinc/61/87/56/533618756.db2.gz CMXBTFYEBNBWLZ-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000190397632 130098706 /nfs/dbraw/zinc/09/87/06/130098706.db2.gz BYLGOGGTKLPJOH-UHFFFAOYSA-N 1 0 280.372 2.466 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287565 130215687 /nfs/dbraw/zinc/21/56/87/130215687.db2.gz IUVUZCPFUMBWMN-VXGBXAGGSA-N 1 0 294.351 2.207 20 5 CEBDRO CCOc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000314316161 134425034 /nfs/dbraw/zinc/42/50/34/134425034.db2.gz YBCYYDOBCLQYJV-RYUDHWBXSA-N 1 0 291.351 2.039 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301418183 394460358 /nfs/dbraw/zinc/46/03/58/394460358.db2.gz BFUXRIUSKKLJSQ-CQSZACIVSA-N 1 0 273.336 2.354 20 5 CEBDRO Cc1cc(NC[C@@H]2[NH2+]CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000235904926 394483718 /nfs/dbraw/zinc/48/37/18/394483718.db2.gz UVCVFZMNUQECMT-LBPRGKRZSA-N 1 0 278.356 2.488 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413108704 394484021 /nfs/dbraw/zinc/48/40/21/394484021.db2.gz FFMZLHHESWRLAU-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766521 394497966 /nfs/dbraw/zinc/49/79/66/394497966.db2.gz AMQSANDHXDDNSP-NRUUGDAUSA-N 1 0 279.340 2.145 20 5 CEBDRO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766510 394498155 /nfs/dbraw/zinc/49/81/55/394498155.db2.gz LPOARLDDOOHFNV-NSHDSACASA-N 1 0 291.351 2.434 20 5 CEBDRO Cc1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000070170163 394585662 /nfs/dbraw/zinc/58/56/62/394585662.db2.gz VSJSGASPXSPQJW-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413299505 394520871 /nfs/dbraw/zinc/52/08/71/394520871.db2.gz UPINSJYHNLMOTL-ZETCQYMHSA-N 1 0 292.261 2.371 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@@H]21 ZINC000413325449 394527518 /nfs/dbraw/zinc/52/75/18/394527518.db2.gz VQVWPGQIZFSFSX-ABAIWWIYSA-N 1 0 298.346 2.283 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000248565281 394543217 /nfs/dbraw/zinc/54/32/17/394543217.db2.gz ONYFXGLYYAQGIM-DYEKYZERSA-N 1 0 293.367 2.171 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000314140163 394544515 /nfs/dbraw/zinc/54/45/15/394544515.db2.gz JMAZBWNFAKCPHO-RYUDHWBXSA-N 1 0 293.371 2.158 20 5 CEBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000049320333 394544757 /nfs/dbraw/zinc/54/47/57/394544757.db2.gz PNYQJMHAYAIFOX-UHFFFAOYSA-N 1 0 281.360 2.005 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000266246809 394663742 /nfs/dbraw/zinc/66/37/42/394663742.db2.gz ZAZSAVUJTXAWLO-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000356750718 394602062 /nfs/dbraw/zinc/60/20/62/394602062.db2.gz DURJOFMBKWPMKS-VIFPVBQESA-N 1 0 285.369 2.115 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000089898262 394651817 /nfs/dbraw/zinc/65/18/17/394651817.db2.gz VSGAYUMNKVBEKL-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422722252 394740610 /nfs/dbraw/zinc/74/06/10/394740610.db2.gz XJHBWPUUEQOTJP-FZMZJTMJSA-N 1 0 293.367 2.081 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422725972 394742267 /nfs/dbraw/zinc/74/22/67/394742267.db2.gz CWCZHXYGPTVYLJ-LBPRGKRZSA-N 1 0 291.351 2.002 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000267185912 394674201 /nfs/dbraw/zinc/67/42/01/394674201.db2.gz GLGQWHLQGVFXCK-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422733627 394746670 /nfs/dbraw/zinc/74/66/70/394746670.db2.gz BPFFOTHKDPFZFN-LLVKDONJSA-N 1 0 286.335 2.296 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000422615457 394720174 /nfs/dbraw/zinc/72/01/74/394720174.db2.gz JVEOSPDOXJGZSZ-DGCLKSJQSA-N 1 0 291.351 2.163 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000422632910 394722164 /nfs/dbraw/zinc/72/21/64/394722164.db2.gz NKWPKPRXEUOEBN-RYUDHWBXSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000414187674 394725416 /nfs/dbraw/zinc/72/54/16/394725416.db2.gz QKGRVCDLTOTULO-MCIONIFRSA-N 1 0 280.324 2.049 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000106865392 394726318 /nfs/dbraw/zinc/72/63/18/394726318.db2.gz OIURQITXYLLJOH-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422778593 394777533 /nfs/dbraw/zinc/77/75/33/394777533.db2.gz ATVSHZVMSUQOCE-OCCSQVGLSA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000275359557 394807673 /nfs/dbraw/zinc/80/76/73/394807673.db2.gz LCKJKFRCGIKFPD-UHFFFAOYSA-N 1 0 290.367 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000361152103 394817706 /nfs/dbraw/zinc/81/77/06/394817706.db2.gz HZXDHLUXZXOPDG-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C[C@@H]1C ZINC000414968984 394830392 /nfs/dbraw/zinc/83/03/92/394830392.db2.gz YWLMCUMVTVACDN-FZMZJTMJSA-N 1 0 293.367 2.081 20 5 CEBDRO C[NH2+]CCCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415139008 394902795 /nfs/dbraw/zinc/90/27/95/394902795.db2.gz WGTNAMOFTBGDAN-YVMONPNESA-N 1 0 263.341 2.149 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415293185 394919402 /nfs/dbraw/zinc/91/94/02/394919402.db2.gz IMUSJWQEZLILBW-NSHDSACASA-N 1 0 292.339 2.085 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415424028 394931012 /nfs/dbraw/zinc/93/10/12/394931012.db2.gz ACBSMWVNIURFGQ-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627284 394949178 /nfs/dbraw/zinc/94/91/78/394949178.db2.gz BAHYSCHFUXHQTJ-SNVBAGLBSA-N 1 0 298.318 2.373 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153582751 395011300 /nfs/dbraw/zinc/01/13/00/395011300.db2.gz KEASIULSOXRDNG-OAHLLOKOSA-N 1 0 292.335 2.216 20 5 CEBDRO CC[C@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000161515921 395064174 /nfs/dbraw/zinc/06/41/74/395064174.db2.gz NFRINTYVMJUBPS-AWEZNQCLSA-N 1 0 264.325 2.114 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343479176 395040481 /nfs/dbraw/zinc/04/04/81/395040481.db2.gz QNCBZRRHCYKRIT-ZYHUDNBSSA-N 1 0 264.329 2.193 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471585 395115353 /nfs/dbraw/zinc/11/53/53/395115353.db2.gz HPFVREFKHFPRJW-IUODEOHRSA-N 1 0 292.335 2.261 20 5 CEBDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613603 395201409 /nfs/dbraw/zinc/20/14/09/395201409.db2.gz PEMYHMDZZFDDPY-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181055055 395208978 /nfs/dbraw/zinc/20/89/78/395208978.db2.gz MKCABWDLNVXPSP-JKOKRWQUSA-N 1 0 264.325 2.467 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000294825782 395278463 /nfs/dbraw/zinc/27/84/63/395278463.db2.gz KZGXDAIJCKPBCZ-MHEUCROKSA-N 1 0 290.363 2.419 20 5 CEBDRO CC(C)C[C@@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185369712 395279399 /nfs/dbraw/zinc/27/93/99/395279399.db2.gz ZNJFQGRUKHIIBN-HNNXBMFYSA-N 1 0 280.368 2.476 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473241 395299937 /nfs/dbraw/zinc/29/99/37/395299937.db2.gz ZRFUWGSWFQERLO-MNOVXSKESA-N 1 0 294.330 2.192 20 5 CEBDRO C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420420620 395375928 /nfs/dbraw/zinc/37/59/28/395375928.db2.gz YAXCFQZFKLCDQE-GHMZBOCLSA-N 1 0 281.331 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)c2ccncc21 ZINC000443888897 395404159 /nfs/dbraw/zinc/40/41/59/395404159.db2.gz LPSAKWNSNFCTQQ-UHFFFAOYSA-N 1 0 272.308 2.261 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000420936758 395440929 /nfs/dbraw/zinc/44/09/29/395440929.db2.gz KVZIDBWVKHTOMY-BREBYQMCSA-N 1 0 250.298 2.016 20 5 CEBDRO COc1cccc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000355417774 395443360 /nfs/dbraw/zinc/44/33/60/395443360.db2.gz VABSMQUTCGHQEQ-GFCCVEGCSA-N 1 0 279.340 2.356 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000566475691 395528998 /nfs/dbraw/zinc/52/89/98/395528998.db2.gz OAEFFJIPOOPRJQ-XHDPSFHLSA-N 1 0 298.346 2.452 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476478 395529042 /nfs/dbraw/zinc/52/90/42/395529042.db2.gz YCXLFVCFMKOCGY-BXKDBHETSA-N 1 0 250.298 2.207 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449495258 395550897 /nfs/dbraw/zinc/55/08/97/395550897.db2.gz HQYCIUIRUUPMET-RISCZKNCSA-N 1 0 264.325 2.452 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449495263 395551103 /nfs/dbraw/zinc/55/11/03/395551103.db2.gz HQYCIUIRUUPMET-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451436939 395618426 /nfs/dbraw/zinc/61/84/26/395618426.db2.gz KZLPSCHHVJYEBG-RNCFNFMXSA-N 1 0 286.278 2.358 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](F)C1 ZINC000451180110 395587828 /nfs/dbraw/zinc/58/78/28/395587828.db2.gz CFJJOHPPTRRVEE-SNVBAGLBSA-N 1 0 254.261 2.147 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000572826843 395589091 /nfs/dbraw/zinc/58/90/91/395589091.db2.gz FDMYOVZJVSREKO-WDEREUQCSA-N 1 0 286.335 2.330 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC23CCCC3)n1 ZINC000451452250 395619567 /nfs/dbraw/zinc/61/95/67/395619567.db2.gz CZQHXLJCTSHLFO-NSHDSACASA-N 1 0 264.329 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)c(Cl)c1 ZINC000299923904 400326317 /nfs/dbraw/zinc/32/63/17/400326317.db2.gz SYSJBOQXVKGURA-RISCZKNCSA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359821302 155143956 /nfs/dbraw/zinc/14/39/56/155143956.db2.gz VXABZRICEFCCPL-UHFFFAOYSA-N 1 0 272.308 2.291 20 5 CEBDRO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000156760424 289202427 /nfs/dbraw/zinc/20/24/27/289202427.db2.gz LRUSHDYVJMSMGG-UHFFFAOYSA-N 1 0 287.266 2.120 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000360482616 155311447 /nfs/dbraw/zinc/31/14/47/155311447.db2.gz KJZCAZDHTGLYIR-CYBMUJFWSA-N 1 0 296.367 2.442 20 5 CEBDRO COCC[N@H+](C)CCCNc1c(C)cccc1[N+](=O)[O-] ZINC000189427155 153093868 /nfs/dbraw/zinc/09/38/68/153093868.db2.gz GDZRRCVQERGOJZ-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000191726739 153184021 /nfs/dbraw/zinc/18/40/21/153184021.db2.gz FLAWMQLXUXXJQD-KOLCDFICSA-N 1 0 284.743 2.308 20 5 CEBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000226738096 153337679 /nfs/dbraw/zinc/33/76/79/153337679.db2.gz VRXDQAQYGBPBEC-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000227526608 153348117 /nfs/dbraw/zinc/34/81/17/153348117.db2.gz MYLUKMMUTQJBRG-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316967 153388797 /nfs/dbraw/zinc/38/87/97/153388797.db2.gz MSRGEVWUYQATEE-KBPBESRZSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261839369 153854435 /nfs/dbraw/zinc/85/44/35/153854435.db2.gz ZOWPVLYZHCSUAA-CYBMUJFWSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000305029944 154204626 /nfs/dbraw/zinc/20/46/26/154204626.db2.gz HLXCYKLJZVOGAX-SCRDCRAPSA-N 1 0 294.351 2.207 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000356981476 154366030 /nfs/dbraw/zinc/36/60/30/154366030.db2.gz QPKJOKOXRMFDME-NXEZZACHSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357076279 154371755 /nfs/dbraw/zinc/37/17/55/154371755.db2.gz WRDBWOLCTIXZCU-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO CC[NH2+][C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358916333 154816378 /nfs/dbraw/zinc/81/63/78/154816378.db2.gz SDKZTIVICVUNRF-VIFPVBQESA-N 1 0 291.307 2.069 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000361259049 155500161 /nfs/dbraw/zinc/50/01/61/155500161.db2.gz AKDIJQVAOATFQD-HTQZYQBOSA-N 1 0 294.336 2.371 20 5 CEBDRO CCC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000363626498 156037762 /nfs/dbraw/zinc/03/77/62/156037762.db2.gz JQUXCVHCSXCAQU-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000367456246 156186580 /nfs/dbraw/zinc/18/65/80/156186580.db2.gz BCFLOTHEFJZNQY-OAHLLOKOSA-N 1 0 292.335 2.229 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000367688493 156227068 /nfs/dbraw/zinc/22/70/68/156227068.db2.gz MYEWLYOSPSNSMI-JXJLXUTGSA-N 1 0 262.309 2.138 20 5 CEBDRO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163741895 162333114 /nfs/dbraw/zinc/33/31/14/162333114.db2.gz FFTKUXLBDJFEKP-QWRGUYRKSA-N 1 0 292.339 2.043 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172582464 165056580 /nfs/dbraw/zinc/05/65/80/165056580.db2.gz KSPUNAUKHYRQKJ-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO CC(C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174876623 165119705 /nfs/dbraw/zinc/11/97/05/165119705.db2.gz KUFBLTLICNUAID-UHFFFAOYSA-N 1 0 266.345 2.159 20 5 CEBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204459 165159311 /nfs/dbraw/zinc/15/93/11/165159311.db2.gz HMOWAMCYOHZLHI-RYUDHWBXSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000182497057 165373241 /nfs/dbraw/zinc/37/32/41/165373241.db2.gz OSRBRUQMZLQACL-XQQFMLRXSA-N 1 0 278.356 2.302 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419262 298776035 /nfs/dbraw/zinc/77/60/35/298776035.db2.gz SLJPROUNOMTRRZ-GXFFZTMASA-N 1 0 264.325 2.454 20 5 CEBDRO CC[NH+](CC)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000013617383 170569798 /nfs/dbraw/zinc/56/97/98/170569798.db2.gz NDDMQTGSTNRMLX-JXMROGBWSA-N 1 0 291.351 2.066 20 5 CEBDRO CCC[C@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199286 171063039 /nfs/dbraw/zinc/06/30/39/171063039.db2.gz QJPOBPMPDUSSMV-AWEZNQCLSA-N 1 0 282.340 2.035 20 5 CEBDRO CSCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285219481 196224590 /nfs/dbraw/zinc/22/45/90/196224590.db2.gz FEMVCHNSEZNXQQ-UHFFFAOYSA-N 1 0 254.355 2.432 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285371430 196263387 /nfs/dbraw/zinc/26/33/87/196263387.db2.gz RGLHEOLAJDERIS-UHFFFAOYSA-N 1 0 299.321 2.399 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCOC2)cs1 ZINC000038045172 174053354 /nfs/dbraw/zinc/05/33/54/174053354.db2.gz CTTMJVJTERPGTA-VIFPVBQESA-N 1 0 256.327 2.173 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000038045599 174053786 /nfs/dbraw/zinc/05/37/86/174053786.db2.gz FBFVJEXSJSNMPC-GFCCVEGCSA-N 1 0 264.325 2.419 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672578 174370311 /nfs/dbraw/zinc/37/03/11/174370311.db2.gz JVUCEDRWVJHFQB-YPMHNXCESA-N 1 0 263.341 2.340 20 5 CEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000045059479 175298008 /nfs/dbraw/zinc/29/80/08/175298008.db2.gz PTWWPUQIQHVXRF-UHFFFAOYSA-N 1 0 295.364 2.013 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270591 176103824 /nfs/dbraw/zinc/10/38/24/176103824.db2.gz BCICZIBCUPTLDQ-UONOGXRCSA-N 1 0 282.340 2.033 20 5 CEBDRO CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000071314015 176120458 /nfs/dbraw/zinc/12/04/58/176120458.db2.gz JJEKFTAOWLPFSA-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000071332050 176125348 /nfs/dbraw/zinc/12/53/48/176125348.db2.gz HOALABZSALFBIQ-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000077111507 177225177 /nfs/dbraw/zinc/22/51/77/177225177.db2.gz RZFSPSDDBKMSKE-CYBMUJFWSA-N 1 0 252.314 2.154 20 5 CEBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293594379 292625106 /nfs/dbraw/zinc/62/51/06/292625106.db2.gz FQPDBFRNUZWCKM-ZJUUUORDSA-N 1 0 267.329 2.253 20 5 CEBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000398129634 270357242 /nfs/dbraw/zinc/35/72/42/270357242.db2.gz KCQGOHOBVJKWJY-SCZZXKLOSA-N 1 0 256.327 2.313 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422796005 270773145 /nfs/dbraw/zinc/77/31/45/270773145.db2.gz XHTXZQHYRJNHNT-NSHDSACASA-N 1 0 286.335 2.296 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423145679 270849885 /nfs/dbraw/zinc/84/98/85/270849885.db2.gz LZAVDKMQHARWRZ-MBNYWOFBSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423698193 270932551 /nfs/dbraw/zinc/93/25/51/270932551.db2.gz MMIMOHSUWKOIDF-NWDGAFQWSA-N 1 0 291.351 2.151 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000430241660 271367021 /nfs/dbraw/zinc/36/70/21/271367021.db2.gz GWGXWFWNMRRALQ-GJZGRUSLSA-N 1 0 294.351 2.244 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430247114 271367303 /nfs/dbraw/zinc/36/73/03/271367303.db2.gz YBBBLRGVAVMBIR-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO COC1CC([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000352203315 274015961 /nfs/dbraw/zinc/01/59/61/274015961.db2.gz QQSRGLGXVMZTPP-UHFFFAOYSA-N 1 0 250.298 2.204 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)c1 ZINC000264610137 274117961 /nfs/dbraw/zinc/11/79/61/274117961.db2.gz FESDTNOBNWPQOB-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000341135719 274295433 /nfs/dbraw/zinc/29/54/33/274295433.db2.gz YPQWYXIMIYDTME-TXEJJXNPSA-N 1 0 278.356 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261876475 275035602 /nfs/dbraw/zinc/03/56/02/275035602.db2.gz ZURGYKHLOFIFGY-GWCFXTLKSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)nc1 ZINC000189074633 275036263 /nfs/dbraw/zinc/03/62/63/275036263.db2.gz JARGCMFGEQQJAS-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000107829989 275037156 /nfs/dbraw/zinc/03/71/56/275037156.db2.gz KWFUTLCDJABSMU-GHMZBOCLSA-N 1 0 262.313 2.029 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135243793 276020528 /nfs/dbraw/zinc/02/05/28/276020528.db2.gz JWJLQHUACMBFHL-GFCCVEGCSA-N 1 0 297.330 2.179 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291332183 276349710 /nfs/dbraw/zinc/34/97/10/276349710.db2.gz VWWYPLJSFFRBLE-GFCCVEGCSA-N 1 0 282.340 2.330 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269613818 276796657 /nfs/dbraw/zinc/79/66/57/276796657.db2.gz FVDCKEAXSQQRLB-VIFPVBQESA-N 1 0 285.294 2.261 20 5 CEBDRO CC(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000255625540 277375629 /nfs/dbraw/zinc/37/56/29/277375629.db2.gz HWJYBVROKBPDBB-ALCCZGGFSA-N 1 0 291.351 2.051 20 5 CEBDRO COc1cccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000185339393 278016879 /nfs/dbraw/zinc/01/68/79/278016879.db2.gz NCQPZUHQQFGOES-LBPRGKRZSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000020208243 278357799 /nfs/dbraw/zinc/35/77/99/278357799.db2.gz MJYFAOYSQQNFOA-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000120540491 288075612 /nfs/dbraw/zinc/07/56/12/288075612.db2.gz FHBCYDHFTUONLD-YPMHNXCESA-N 1 0 291.351 2.007 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134245825 280016046 /nfs/dbraw/zinc/01/60/46/280016046.db2.gz IURXRCSDNRGPRG-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730204 280111403 /nfs/dbraw/zinc/11/14/03/280111403.db2.gz MONOYKLWMXQGOK-UWVGGRQHSA-N 1 0 299.321 2.397 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000261748618 280217965 /nfs/dbraw/zinc/21/79/65/280217965.db2.gz SUOHYEDIJSASMR-GLXFQSAKSA-N 1 0 291.351 2.020 20 5 CEBDRO COc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946830 280976125 /nfs/dbraw/zinc/97/61/25/280976125.db2.gz PJGJKVFGAAOSOH-CHWSQXEVSA-N 1 0 293.367 2.353 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343471236 281008632 /nfs/dbraw/zinc/00/86/32/281008632.db2.gz WAJNJTSGTPDTLH-AAEUAGOBSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361558736 281021982 /nfs/dbraw/zinc/02/19/82/281021982.db2.gz YJTJMOPVJJXQIC-XHDPSFHLSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[C@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423466257 281048985 /nfs/dbraw/zinc/04/89/85/281048985.db2.gz NEECBXRMXOKXJY-QWRGUYRKSA-N 1 0 251.330 2.291 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000423639877 281072935 /nfs/dbraw/zinc/07/29/35/281072935.db2.gz GBRYJMCRWMQFTO-GWCFXTLKSA-N 1 0 291.351 2.280 20 5 CEBDRO C[C@H]([NH3+])CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423718980 281082255 /nfs/dbraw/zinc/08/22/55/281082255.db2.gz DRFXYRSXBXVQTP-NSHDSACASA-N 1 0 291.351 2.213 20 5 CEBDRO C[NH2+]CCCN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000424024674 281113647 /nfs/dbraw/zinc/11/36/47/281113647.db2.gz XMDNUVNGMJLWEI-UHFFFAOYSA-N 1 0 293.367 2.202 20 5 CEBDRO Cc1ccccc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341063760 281382694 /nfs/dbraw/zinc/38/26/94/281382694.db2.gz DZPBROLSIYQPQR-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000414489771 292665350 /nfs/dbraw/zinc/66/53/50/292665350.db2.gz ZDNLYPRFASWTJZ-JTQLQIEISA-N 1 0 298.339 2.071 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C[NH3+])C1 ZINC000261588471 290267605 /nfs/dbraw/zinc/26/76/05/290267605.db2.gz KFOARDJKHVTXBS-BXUZGUMPSA-N 1 0 263.341 2.327 20 5 CEBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000488439032 290399432 /nfs/dbraw/zinc/39/94/32/290399432.db2.gz HOBNQTSTAOGJEU-PWSUYJOCSA-N 1 0 298.412 2.301 20 5 CEBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000488439030 290399744 /nfs/dbraw/zinc/39/97/44/290399744.db2.gz HOBNQTSTAOGJEU-JQWIXIFHSA-N 1 0 298.412 2.301 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530385861 298067813 /nfs/dbraw/zinc/06/78/13/298067813.db2.gz WSJWOUJKJGMUSA-NEPJUHHUSA-N 1 0 293.367 2.421 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCC[NH3+] ZINC000564989724 298866565 /nfs/dbraw/zinc/86/65/65/298866565.db2.gz YIMYNZIRKBWCSZ-UHFFFAOYSA-N 1 0 293.367 2.461 20 5 CEBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000516905945 313097781 /nfs/dbraw/zinc/09/77/81/313097781.db2.gz UAUNJCAWHSOTLK-STQMWFEESA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC[NH3+] ZINC000570425524 314039207 /nfs/dbraw/zinc/03/92/07/314039207.db2.gz YUCBRFAJTGUWDG-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000571207550 314078593 /nfs/dbraw/zinc/07/85/93/314078593.db2.gz BUAIGYBRQBXHQT-SWLSCSKDSA-N 1 0 277.368 2.367 20 5 CEBDRO Cc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577209354 314352715 /nfs/dbraw/zinc/35/27/15/314352715.db2.gz KBBLOUKPBBIHRP-STQMWFEESA-N 1 0 290.367 2.124 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000577458905 314378358 /nfs/dbraw/zinc/37/83/58/314378358.db2.gz KICDEVVYALUFAK-GXTWGEPZSA-N 1 0 276.336 2.452 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N(C)C ZINC000577583073 314391246 /nfs/dbraw/zinc/39/12/46/314391246.db2.gz VXSPWAGJKVFCIY-QMTHXVAHSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577953645 314429888 /nfs/dbraw/zinc/42/98/88/314429888.db2.gz FESXSBQNOKFZLT-RKDXNWHRSA-N 1 0 291.307 2.197 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000580940452 322356167 /nfs/dbraw/zinc/35/61/67/322356167.db2.gz UDMKIDPYCLOTFA-UHFFFAOYSA-N 1 0 294.355 2.278 20 5 CEBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccncc21 ZINC000581934216 322432448 /nfs/dbraw/zinc/43/24/48/322432448.db2.gz ZXMRUFBVUCBZRF-TXEJJXNPSA-N 1 0 298.346 2.474 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1cccn1 ZINC000583703550 322563529 /nfs/dbraw/zinc/56/35/29/322563529.db2.gz AOMSETNYDRRFJB-ZDUSSCGKSA-N 1 0 272.308 2.068 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183700460 518918539 /nfs/dbraw/zinc/91/85/39/518918539.db2.gz YOUKPXZUVNNTKV-ZIAGYGMSSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000339399180 519228157 /nfs/dbraw/zinc/22/81/57/519228157.db2.gz YIXRLCBKLXOOBQ-SECBINFHSA-N 1 0 291.311 2.273 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292921350 523951413 /nfs/dbraw/zinc/95/14/13/523951413.db2.gz GELQMOGBJJKSME-CYBMUJFWSA-N 1 0 250.298 2.109 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231921 524053440 /nfs/dbraw/zinc/05/34/40/524053440.db2.gz FDQKQIRGJGUJTJ-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000069134685 525102711 /nfs/dbraw/zinc/10/27/11/525102711.db2.gz YQIAHSPKAQHCDL-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000183517526 525566033 /nfs/dbraw/zinc/56/60/33/525566033.db2.gz QARBQHQXPTWAAI-HNNXBMFYSA-N 1 0 290.319 2.494 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cncs2)cc1 ZINC000054788302 527347925 /nfs/dbraw/zinc/34/79/25/527347925.db2.gz ONEGLYYZCDCSJZ-UHFFFAOYSA-N 1 0 263.322 2.384 20 5 CEBDRO CCCNC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000411139939 528355965 /nfs/dbraw/zinc/35/59/65/528355965.db2.gz YWLBFLLJTPZTKZ-UHFFFAOYSA-N 1 0 293.367 2.333 20 5 CEBDRO CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000355952024 528890007 /nfs/dbraw/zinc/89/00/07/528890007.db2.gz GMUGCJLXCOYRQI-UHFFFAOYSA-N 1 0 296.371 2.114 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000263926102 535942185 /nfs/dbraw/zinc/94/21/85/535942185.db2.gz VSMKENIYAAUPCD-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000751925393 574474509 /nfs/dbraw/zinc/47/45/09/574474509.db2.gz DOOKBJSWDYIDQO-QWRGUYRKSA-N 1 0 274.324 2.490 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000754535252 574586790 /nfs/dbraw/zinc/58/67/90/574586790.db2.gz FRACOMOAAWKQEP-LBPRGKRZSA-N 1 0 296.298 2.165 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860801 574969699 /nfs/dbraw/zinc/96/96/99/574969699.db2.gz INPWSUCNRIQAJH-RKDXNWHRSA-N 1 0 252.318 2.096 20 5 CEBDRO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000742241091 575013512 /nfs/dbraw/zinc/01/35/12/575013512.db2.gz NGRVBOLDFSNCEM-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+](CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000747958738 575177068 /nfs/dbraw/zinc/17/70/68/575177068.db2.gz BMEORZOSILBJMM-UHFFFAOYSA-N 1 0 292.314 2.105 20 5 CEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000748242501 575181120 /nfs/dbraw/zinc/18/11/20/575181120.db2.gz NSJIASSIRORQML-CQSZACIVSA-N 1 0 280.324 2.416 20 5 CEBDRO Cc1nn(C[NH+]2CCC(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000748450632 575186884 /nfs/dbraw/zinc/18/68/84/575186884.db2.gz VBDFLOCUIXVIPR-UHFFFAOYSA-N 1 0 289.339 2.337 20 5 CEBDRO O=[N+]([O-])c1c(N2CCc3c[nH+]ccc32)nc2ccccn21 ZINC000749287109 575212155 /nfs/dbraw/zinc/21/21/55/575212155.db2.gz AXEAIAYFJBAOGY-UHFFFAOYSA-N 1 0 281.275 2.332 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2C3CCC2CC3)c1 ZINC000750034329 575244671 /nfs/dbraw/zinc/24/46/71/575244671.db2.gz AHSHSAIJDOVXDS-YIZWMMSDSA-N 1 0 262.309 2.255 20 5 CEBDRO CC1(C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750109971 575247886 /nfs/dbraw/zinc/24/78/86/575247886.db2.gz YQKVFQZKPKOZSO-GFCCVEGCSA-N 1 0 250.298 2.113 20 5 CEBDRO CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000982932671 614950622 /nfs/dbraw/zinc/95/06/22/614950622.db2.gz AFKKBSSOVACNJY-HOMQSWHASA-N 1 0 297.380 2.051 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCC1 ZINC000261595930 623342219 /nfs/dbraw/zinc/34/22/19/623342219.db2.gz AAHPIRGJCJURON-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000167380043 625649007 /nfs/dbraw/zinc/64/90/07/625649007.db2.gz ULPOXOSYIWDXDB-UHFFFAOYSA-N 1 0 283.284 2.018 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000891723537 623927434 /nfs/dbraw/zinc/92/74/34/623927434.db2.gz OJZWZOGLBCDHJE-UHFFFAOYSA-N 1 0 281.360 2.053 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000308671616 623949366 /nfs/dbraw/zinc/94/93/66/623949366.db2.gz FQFNOPNFLHXOHJ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCC2CC2)cc1 ZINC000161563685 625781715 /nfs/dbraw/zinc/78/17/15/625781715.db2.gz DJQYXDBCRMJOSN-CQSZACIVSA-N 1 0 264.325 2.408 20 5 CEBDRO Cn1cncc1CCCOc1cccc([N+](=O)[O-])c1 ZINC000902120838 634486113 /nfs/dbraw/zinc/48/61/13/634486113.db2.gz VMOJPPGEJCTGIJ-UHFFFAOYSA-N 1 0 261.281 2.340 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000892875958 627825888 /nfs/dbraw/zinc/82/58/88/627825888.db2.gz LKLUBMCKFZEYPC-VHSXEESVSA-N 1 0 292.339 2.036 20 5 CEBDRO CCOc1ccc([C@@H](C)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902412767 634631025 /nfs/dbraw/zinc/63/10/25/634631025.db2.gz DFZMQMFSJVZLCR-SNVBAGLBSA-N 1 0 279.340 2.135 20 5 CEBDRO C[C@@H]1OC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000925640170 628338238 /nfs/dbraw/zinc/33/82/38/628338238.db2.gz GNDZMVOGORILQT-UHIISALHSA-N 1 0 264.325 2.150 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000902444409 634661185 /nfs/dbraw/zinc/66/11/85/634661185.db2.gz HGTOWKSVDPDYLP-ZWNOBZJWSA-N 1 0 263.341 2.243 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313026322 628575399 /nfs/dbraw/zinc/57/53/99/628575399.db2.gz NLVJPTPWPCTSPK-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO CC(C)[N@H+](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000054111418 628879365 /nfs/dbraw/zinc/87/93/65/628879365.db2.gz PBZUOEJBPVUMKJ-UHFFFAOYSA-N 1 0 257.359 2.086 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261564655 628938988 /nfs/dbraw/zinc/93/89/88/628938988.db2.gz DJJXSDXRBLJTPB-ZDUSSCGKSA-N 1 0 263.341 2.073 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000893939159 629054681 /nfs/dbraw/zinc/05/46/81/629054681.db2.gz IACOTHTVLKHLHX-RNCFNFMXSA-N 1 0 281.743 2.389 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000261732264 629165383 /nfs/dbraw/zinc/16/53/83/629165383.db2.gz LGIRWUQIILZRMA-CQSZACIVSA-N 1 0 295.770 2.434 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413695 629445127 /nfs/dbraw/zinc/44/51/27/629445127.db2.gz NOTDHYHSLFQHKT-PSASIEDQSA-N 1 0 298.364 2.150 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000894657186 629577324 /nfs/dbraw/zinc/57/73/24/629577324.db2.gz JIKFRUSCTLXJDO-CJYSPXJISA-N 1 0 294.351 2.438 20 5 CEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C[NH2+]1 ZINC000262115750 629880343 /nfs/dbraw/zinc/88/03/43/629880343.db2.gz WWQBTCATCKWUPJ-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+](C)C)c1C ZINC000895588178 630262785 /nfs/dbraw/zinc/26/27/85/630262785.db2.gz CILBFSGZZUNFHO-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000895740940 630320455 /nfs/dbraw/zinc/32/04/55/630320455.db2.gz UWZLIKYAHVBORR-GWCFXTLKSA-N 1 0 279.340 2.246 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000895735306 630325329 /nfs/dbraw/zinc/32/53/29/630325329.db2.gz CXQPFYHDQXAODS-ZANVPECISA-N 1 0 277.324 2.302 20 5 CEBDRO C[C@@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C ZINC000895736887 630326460 /nfs/dbraw/zinc/32/64/60/630326460.db2.gz PMJMRSITYYFDRL-NXEZZACHSA-N 1 0 287.323 2.043 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000895738753 630328437 /nfs/dbraw/zinc/32/84/37/630328437.db2.gz ZIQBEZOMFUAFLT-ZANVPECISA-N 1 0 277.324 2.302 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000895767370 630336931 /nfs/dbraw/zinc/33/69/31/630336931.db2.gz LXRFEPGIOPRFED-SNVBAGLBSA-N 1 0 272.308 2.259 20 5 CEBDRO CCO[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000896114609 630468426 /nfs/dbraw/zinc/46/84/26/630468426.db2.gz AWUQEOMBEOBPOY-LBPRGKRZSA-N 1 0 281.356 2.282 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3CC=CC3)C2)c1 ZINC000896865388 630696269 /nfs/dbraw/zinc/69/62/69/630696269.db2.gz VYKAEQBJXJKTAG-UHFFFAOYSA-N 1 0 276.340 2.441 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ccsc2[N+](=O)[O-])CC1 ZINC000897134111 630952056 /nfs/dbraw/zinc/95/20/56/630952056.db2.gz WYNFCHWMFQXPJN-UHFFFAOYSA-N 1 0 267.354 2.331 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000909591592 631045992 /nfs/dbraw/zinc/04/59/92/631045992.db2.gz NXWYNVOKEHCZFT-UHFFFAOYSA-N 1 0 298.364 2.425 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526820 631283157 /nfs/dbraw/zinc/28/31/57/631283157.db2.gz XXSFVLOFCQMGAR-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1ccnc(N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000897419808 631338348 /nfs/dbraw/zinc/33/83/48/631338348.db2.gz ULCHJXBIAGUPSW-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000897464822 631532028 /nfs/dbraw/zinc/53/20/28/631532028.db2.gz PAJVZWOSNWZQGR-JTQLQIEISA-N 1 0 261.281 2.476 20 5 CEBDRO COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)on1 ZINC000925314509 631801995 /nfs/dbraw/zinc/80/19/95/631801995.db2.gz SVLGNDRGHWSOOM-VIFPVBQESA-N 1 0 277.280 2.442 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897851065 631945876 /nfs/dbraw/zinc/94/58/76/631945876.db2.gz OFBFALGOWNAWKL-VOTZESEZSA-N 1 0 274.320 2.111 20 5 CEBDRO C[C@H](CC[NH3+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841052403 632354217 /nfs/dbraw/zinc/35/42/17/632354217.db2.gz VCYPMUGSYHNPMJ-MRVPVSSYSA-N 1 0 257.721 2.075 20 5 CEBDRO C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485410 632389416 /nfs/dbraw/zinc/38/94/16/632389416.db2.gz JFFOVYJJZITHJP-LURJTMIESA-N 1 0 279.123 2.372 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)CCO ZINC000873065397 632392351 /nfs/dbraw/zinc/39/23/51/632392351.db2.gz HUXJJFHBBPJOCO-SNVBAGLBSA-N 1 0 266.341 2.320 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085863 632454614 /nfs/dbraw/zinc/45/46/14/632454614.db2.gz SIEKWQNNPAYTGV-GXTWGEPZSA-N 1 0 294.351 2.359 20 5 CEBDRO O=[N+]([O-])CCOc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000899231662 632745928 /nfs/dbraw/zinc/74/59/28/632745928.db2.gz FYDRZOXCZDVDHP-UHFFFAOYSA-N 1 0 294.351 2.207 20 5 CEBDRO Cc1ccc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000814929322 632932435 /nfs/dbraw/zinc/93/24/35/632932435.db2.gz RCEPPGQHVOZLTM-TXEJJXNPSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597214 633035647 /nfs/dbraw/zinc/03/56/47/633035647.db2.gz POFLXVPTRYHSIX-NSHDSACASA-N 1 0 293.367 2.380 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000899859233 633054760 /nfs/dbraw/zinc/05/47/60/633054760.db2.gz HJJORCZKAYUTCF-UHFFFAOYSA-N 1 0 263.124 2.402 20 5 CEBDRO [NH3+]CCSc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000900022665 633188707 /nfs/dbraw/zinc/18/87/07/633188707.db2.gz LFXRGULLFWNQGY-UHFFFAOYSA-N 1 0 250.682 2.438 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000817131627 633590522 /nfs/dbraw/zinc/59/05/22/633590522.db2.gz HSKXJOSBNQVTGT-NSHDSACASA-N 1 0 267.304 2.264 20 5 CEBDRO CC(C)[NH2+]CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953785 633797475 /nfs/dbraw/zinc/79/74/75/633797475.db2.gz RDRIZRZYHVJTCF-LLVKDONJSA-N 1 0 280.372 2.216 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2CCC2)c1 ZINC000819145285 634082271 /nfs/dbraw/zinc/08/22/71/634082271.db2.gz AJKXJSXKBDUIFP-CQSZACIVSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cc(C[NH+]3CCCC3)on2)o1 ZINC000901398732 634091190 /nfs/dbraw/zinc/09/11/90/634091190.db2.gz HQXWYDQZYXSHJB-UHFFFAOYSA-N 1 0 263.253 2.439 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC(F)(F)C2)c1 ZINC000819264325 634121405 /nfs/dbraw/zinc/12/14/05/634121405.db2.gz REYOZKPAWUFSMP-LLVKDONJSA-N 1 0 272.251 2.016 20 5 CEBDRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000819341485 634145915 /nfs/dbraw/zinc/14/59/15/634145915.db2.gz QOCNDSQOEKLKMA-NILFDRSVSA-N 1 0 296.367 2.279 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000819367937 634158749 /nfs/dbraw/zinc/15/87/49/634158749.db2.gz LVJALXMYRDSFOK-IRUJWGPZSA-N 1 0 282.365 2.112 20 5 CEBDRO Cc1ccc(-c2noc([C@@H](C)[C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000822722706 634981580 /nfs/dbraw/zinc/98/15/80/634981580.db2.gz JWEOYMCVQJCADJ-IUCAKERBSA-N 1 0 276.296 2.404 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(CC(N)=O)C1 ZINC000903259319 635032508 /nfs/dbraw/zinc/03/25/08/635032508.db2.gz DMTCQTFGTQVDRB-VOMCLLRMSA-N 1 0 291.351 2.208 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903300625 635048502 /nfs/dbraw/zinc/04/85/02/635048502.db2.gz JUISPSFXDIXIBT-MJVIPROJSA-N 1 0 293.367 2.347 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903317003 635064277 /nfs/dbraw/zinc/06/42/77/635064277.db2.gz RXFSFJWNTXBDPU-NXEZZACHSA-N 1 0 267.304 2.089 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+](C)C ZINC000823095018 635066825 /nfs/dbraw/zinc/06/68/25/635066825.db2.gz HHVYFULZKFLTPH-JTQLQIEISA-N 1 0 293.367 2.139 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1COC[C@H]1C ZINC000903393044 635089223 /nfs/dbraw/zinc/08/92/23/635089223.db2.gz FCAAAGHYUPNGDG-BREBYQMCSA-N 1 0 282.315 2.289 20 5 CEBDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000903392988 635089297 /nfs/dbraw/zinc/08/92/97/635089297.db2.gz CTARULKNYNJROR-RISCZKNCSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1c(CN[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468690 635141517 /nfs/dbraw/zinc/14/15/17/635141517.db2.gz NTIQWDNQSSBFPW-AWEZNQCLSA-N 1 0 275.352 2.277 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903486246 635144931 /nfs/dbraw/zinc/14/49/31/635144931.db2.gz TXZDHXGYWIQJQL-AWEZNQCLSA-N 1 0 293.342 2.498 20 5 CEBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000823471397 635190612 /nfs/dbraw/zinc/19/06/12/635190612.db2.gz WKTFPTGZKRNCPM-UHFFFAOYSA-N 1 0 294.355 2.353 20 5 CEBDRO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000903845551 635302147 /nfs/dbraw/zinc/30/21/47/635302147.db2.gz IPCMRWMWVATJCE-XDTLVQLUSA-N 1 0 279.315 2.046 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987808 635407172 /nfs/dbraw/zinc/40/71/72/635407172.db2.gz JVIAKEJRVJLKAA-WZRBSPASSA-N 1 0 263.341 2.243 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000904076964 635438178 /nfs/dbraw/zinc/43/81/78/635438178.db2.gz LQTGNEBQOKHYSM-VIFPVBQESA-N 1 0 290.323 2.412 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000904461914 635634230 /nfs/dbraw/zinc/63/42/30/635634230.db2.gz LPKWUIBBKDCIRZ-GFCCVEGCSA-N 1 0 283.759 2.336 20 5 CEBDRO CCc1cccc2c(CC[NH2+]CC[N+](=O)[O-])c[nH]c21 ZINC000905104684 635818185 /nfs/dbraw/zinc/81/81/85/635818185.db2.gz QKYYRUBBFBWMHB-UHFFFAOYSA-N 1 0 261.325 2.139 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000905216180 636165105 /nfs/dbraw/zinc/16/51/05/636165105.db2.gz QQMAFSVAJMNFSA-UHFFFAOYSA-N 1 0 298.140 2.297 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000905398962 636256964 /nfs/dbraw/zinc/25/69/64/636256964.db2.gz LSDHTGKZPNULGN-UHFFFAOYSA-N 1 0 267.716 2.230 20 5 CEBDRO CCCOc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930202570 636816996 /nfs/dbraw/zinc/81/69/96/636816996.db2.gz XGLZETPFQADINA-NSHDSACASA-N 1 0 282.340 2.411 20 5 CEBDRO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[NH2+]CC1 ZINC000876506010 650294123 /nfs/dbraw/zinc/29/41/23/650294123.db2.gz NLRDWFRVCMGVRK-UHFFFAOYSA-N 1 0 299.330 2.184 20 5 CEBDRO Cc1ccc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876546091 650317285 /nfs/dbraw/zinc/31/72/85/650317285.db2.gz XZWGQCLQBSQVOF-SMYYYNMVSA-N 1 0 289.335 2.398 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000831063339 637225732 /nfs/dbraw/zinc/22/57/32/637225732.db2.gz YOEYMYWOLYRDLZ-GXFFZTMASA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000876587583 650347551 /nfs/dbraw/zinc/34/75/51/650347551.db2.gz KHNYNSDPLXWIEB-ZWKOPEQDSA-N 1 0 291.351 2.145 20 5 CEBDRO C[NH+](C)CCCOC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028077 637847166 /nfs/dbraw/zinc/84/71/66/637847166.db2.gz PIVQIJBSJHQBLZ-KBPBESRZSA-N 1 0 292.335 2.193 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834832215 637965088 /nfs/dbraw/zinc/96/50/88/637965088.db2.gz MTWFHCYIIWZDRY-WDEREUQCSA-N 1 0 281.356 2.236 20 5 CEBDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834832213 637965310 /nfs/dbraw/zinc/96/53/10/637965310.db2.gz MTWFHCYIIWZDRY-QWRGUYRKSA-N 1 0 281.356 2.236 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910288011 637979511 /nfs/dbraw/zinc/97/95/11/637979511.db2.gz JJVNQPCBTWQIKD-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000911687885 638357616 /nfs/dbraw/zinc/35/76/16/638357616.db2.gz IYJMEMMTIVNZSQ-UHFFFAOYSA-N 1 0 297.380 2.046 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876751107 650419062 /nfs/dbraw/zinc/41/90/62/650419062.db2.gz UYFZCHZDWWDIOT-GFCCVEGCSA-N 1 0 264.325 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000876797463 650436678 /nfs/dbraw/zinc/43/66/78/650436678.db2.gz VCUAXOYZWFHRGM-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057801029 639463522 /nfs/dbraw/zinc/46/35/22/639463522.db2.gz UFJSXJTXRVHIES-SECBINFHSA-N 1 0 258.705 2.109 20 5 CEBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000226051547 639518934 /nfs/dbraw/zinc/51/89/34/639518934.db2.gz INPVYJWGRVOZAZ-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168187889 639563402 /nfs/dbraw/zinc/56/34/02/639563402.db2.gz JZCPNDDPRDGVMO-ASCAZGACSA-N 1 0 290.772 2.105 20 5 CEBDRO CCSCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158280097 639583466 /nfs/dbraw/zinc/58/34/66/639583466.db2.gz CJQNREUHQGYPJE-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO Cc1occc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000840946254 639596403 /nfs/dbraw/zinc/59/64/03/639596403.db2.gz LYEKYSPXZKTRDL-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000227689105 639601839 /nfs/dbraw/zinc/60/18/39/639601839.db2.gz LUDWZNVBLRWNEC-DGCLKSJQSA-N 1 0 264.325 2.154 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000841035712 639628065 /nfs/dbraw/zinc/62/80/65/639628065.db2.gz KSCNNFKXUFEMAN-JTQLQIEISA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841064772 639639044 /nfs/dbraw/zinc/63/90/44/639639044.db2.gz JJYTVUHTLYRRBV-CABZTGNLSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064484 639640069 /nfs/dbraw/zinc/64/00/69/639640069.db2.gz RDCOXVGXLSPNDU-BXKDBHETSA-N 1 0 283.759 2.336 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000228559794 639644545 /nfs/dbraw/zinc/64/45/45/639644545.db2.gz GIEOYQZDULIOPR-SNVBAGLBSA-N 1 0 274.280 2.112 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102654 639675143 /nfs/dbraw/zinc/67/51/43/639675143.db2.gz HWSQHJDNWWUGRR-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233148 639713602 /nfs/dbraw/zinc/71/36/02/639713602.db2.gz MMBSTUIAYRMALP-YUMQZZPRSA-N 1 0 298.730 2.202 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203422 639745740 /nfs/dbraw/zinc/74/57/40/639745740.db2.gz XKDONDMXVOMPAU-WDEREUQCSA-N 1 0 280.324 2.397 20 5 CEBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000841370649 639751051 /nfs/dbraw/zinc/75/10/51/639751051.db2.gz PSXPGHZAFLQHHH-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO COC1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230673755 639778283 /nfs/dbraw/zinc/77/82/83/639778283.db2.gz OVAXYOGHYJLKPC-CBZQXFMTSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000172918403 639828119 /nfs/dbraw/zinc/82/81/19/639828119.db2.gz YQXJUMAJLUFZPA-MNOVXSKESA-N 1 0 252.318 2.259 20 5 CEBDRO Cc1c(CNC(=[NH2+])NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000231865054 639882796 /nfs/dbraw/zinc/88/27/96/639882796.db2.gz VBFJSYFGLZGFDU-UHFFFAOYSA-N 1 0 264.329 2.316 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843076152 640270157 /nfs/dbraw/zinc/27/01/57/640270157.db2.gz QUELMMFRJPIHAG-CABCVRRESA-N 1 0 296.367 2.015 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)cc1 ZINC000843131923 640298206 /nfs/dbraw/zinc/29/82/06/640298206.db2.gz DRPFRSUCSZCZPT-UHFFFAOYSA-N 1 0 288.307 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843361959 640404336 /nfs/dbraw/zinc/40/43/36/640404336.db2.gz WHEDAJSVKUERCV-ZDUSSCGKSA-N 1 0 279.315 2.060 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844449077 640730747 /nfs/dbraw/zinc/73/07/47/640730747.db2.gz IIYXCWAIHJIACX-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1cccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000845813171 641098721 /nfs/dbraw/zinc/09/87/21/641098721.db2.gz JEZMXFHCACXSIJ-NEPJUHHUSA-N 1 0 292.335 2.400 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC1(CO)CC1 ZINC000877461250 650729944 /nfs/dbraw/zinc/72/99/44/650729944.db2.gz CHIGSHBRJIIMHI-UHFFFAOYSA-N 1 0 278.352 2.416 20 5 CEBDRO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440085 642323467 /nfs/dbraw/zinc/32/34/67/642323467.db2.gz OBGPTNXOUJDPEV-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000850444992 642715543 /nfs/dbraw/zinc/71/55/43/642715543.db2.gz MUQOMPOLWHMYSS-IINYFYTJSA-N 1 0 294.351 2.415 20 5 CEBDRO CCSC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877636133 650826644 /nfs/dbraw/zinc/82/66/44/650826644.db2.gz NZQIYLRMZRTOSA-UHFFFAOYSA-N 1 0 296.396 2.370 20 5 CEBDRO CCC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OCC ZINC000877648550 650832465 /nfs/dbraw/zinc/83/24/65/650832465.db2.gz PVFLGCUWGQMUJS-ORHYLEIMSA-N 1 0 296.371 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852584348 643482335 /nfs/dbraw/zinc/48/23/35/643482335.db2.gz LKUWPWLAZWINRP-CHWSQXEVSA-N 1 0 280.299 2.127 20 5 CEBDRO C[C@](CO)([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692319 650853995 /nfs/dbraw/zinc/85/39/95/650853995.db2.gz YFASDJFBUYOKRE-HUUCEWRRSA-N 1 0 292.335 2.085 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)C1CC1)C1CC1 ZINC000838899402 644075945 /nfs/dbraw/zinc/07/59/45/644075945.db2.gz VKETZAJJESEEQC-HNNXBMFYSA-N 1 0 276.336 2.330 20 5 CEBDRO COC1([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000839659450 644765564 /nfs/dbraw/zinc/76/55/64/644765564.db2.gz DUXLRODHNIGLOL-SMDDNHRTSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1c(Cl)cccc1OC[C@@H]1CC[NH2+]C1 ZINC000126903915 650997815 /nfs/dbraw/zinc/99/78/15/650997815.db2.gz CVADARISSDDEAG-MRVPVSSYSA-N 1 0 256.689 2.237 20 5 CEBDRO NC(=O)C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000768553664 646138422 /nfs/dbraw/zinc/13/84/22/646138422.db2.gz DSHYFRVZUXPBNR-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000771138840 646495301 /nfs/dbraw/zinc/49/53/01/646495301.db2.gz HDTZAORDQMZNRW-SECBINFHSA-N 1 0 295.314 2.391 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000863569605 646759235 /nfs/dbraw/zinc/75/92/35/646759235.db2.gz XFBJQLAASIJREY-MUYACECFSA-N 1 0 276.336 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)c1 ZINC000863658541 646781363 /nfs/dbraw/zinc/78/13/63/646781363.db2.gz POCDHHYXUZVXFU-ONGXEEELSA-N 1 0 292.270 2.265 20 5 CEBDRO CC[NH+](CC)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773987053 646792902 /nfs/dbraw/zinc/79/29/02/646792902.db2.gz BNJJVWKJQCPIKL-UHFFFAOYSA-N 1 0 291.351 2.134 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000864359671 646977373 /nfs/dbraw/zinc/97/73/73/646977373.db2.gz XXAQHGMODDPWNN-AOOOYVTPSA-N 1 0 283.278 2.473 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000775671769 646979404 /nfs/dbraw/zinc/97/94/04/646979404.db2.gz AHSWLKFJSIPDOJ-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO CO[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783019035 647671042 /nfs/dbraw/zinc/67/10/42/647671042.db2.gz TXWBCYPGGQJPAU-LSDHHAIUSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866209869 647674645 /nfs/dbraw/zinc/67/46/45/647674645.db2.gz WSXZDTGKTKPTAZ-VXGBXAGGSA-N 1 0 291.351 2.134 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000866288966 647718310 /nfs/dbraw/zinc/71/83/10/647718310.db2.gz BZALAAJKPFRKIP-LLVKDONJSA-N 1 0 292.314 2.151 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@@H]1O ZINC000783680070 647747360 /nfs/dbraw/zinc/74/73/60/647747360.db2.gz PTXKALMAQTZYAT-RNCFNFMXSA-N 1 0 284.743 2.451 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612899 647842790 /nfs/dbraw/zinc/84/27/90/647842790.db2.gz DFRUSMOCXOSXBG-VHSXEESVSA-N 1 0 289.339 2.322 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000784535371 647859604 /nfs/dbraw/zinc/85/96/04/647859604.db2.gz RAADEEZNKFXIEE-JQWIXIFHSA-N 1 0 294.311 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866716478 647880117 /nfs/dbraw/zinc/88/01/17/647880117.db2.gz OVBFNQQHWNCAFJ-SMDDNHRTSA-N 1 0 293.342 2.308 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c(F)c1 ZINC000866724352 647883703 /nfs/dbraw/zinc/88/37/03/647883703.db2.gz LJMVYSXPSIEPHI-KBPBESRZSA-N 1 0 279.315 2.060 20 5 CEBDRO CCCCCCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867966030 648004438 /nfs/dbraw/zinc/00/44/38/648004438.db2.gz LOOSKALGHKHCIV-OAHLLOKOSA-N 1 0 293.367 2.465 20 5 CEBDRO CCCCCCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867966029 648004504 /nfs/dbraw/zinc/00/45/04/648004504.db2.gz LOOSKALGHKHCIV-HNNXBMFYSA-N 1 0 293.367 2.465 20 5 CEBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791054853 648477163 /nfs/dbraw/zinc/47/71/63/648477163.db2.gz ZYKMUYUERGJXAY-AWEZNQCLSA-N 1 0 264.325 2.499 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565115 648543992 /nfs/dbraw/zinc/54/39/92/648543992.db2.gz FGOXLLXZMHUVFM-GIPNMCIBSA-N 1 0 250.298 2.111 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123602517 649077647 /nfs/dbraw/zinc/07/76/47/649077647.db2.gz WIWSMUUXYMCQDR-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CON=C(N)CC1CC1 ZINC000871734446 649163104 /nfs/dbraw/zinc/16/31/04/649163104.db2.gz AYVGQTUBMPLZOW-UHFFFAOYSA-N 1 0 279.296 2.402 20 5 CEBDRO C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035567 649249055 /nfs/dbraw/zinc/24/90/55/649249055.db2.gz XDQJXYUNQXNQAJ-NXEZZACHSA-N 1 0 267.304 2.089 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000872043678 649252380 /nfs/dbraw/zinc/25/23/80/649252380.db2.gz KJMULVUASBUPQK-BDAKNGLRSA-N 1 0 297.380 2.231 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052524 649255750 /nfs/dbraw/zinc/25/57/50/649255750.db2.gz OEQACXUOELYSDR-SNVBAGLBSA-N 1 0 267.304 2.090 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872061079 649258015 /nfs/dbraw/zinc/25/80/15/649258015.db2.gz VXRUAGXMTFNZAN-MRVPVSSYSA-N 1 0 293.302 2.054 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078919 649265752 /nfs/dbraw/zinc/26/57/52/649265752.db2.gz UKTFOLMRTZSUHL-MKPLZMMCSA-N 1 0 268.288 2.298 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126345 649285174 /nfs/dbraw/zinc/28/51/74/649285174.db2.gz LQUVOWLOCBQILH-OBJOEFQTSA-N 1 0 278.352 2.276 20 5 CEBDRO CS[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872224976 649321379 /nfs/dbraw/zinc/32/13/79/649321379.db2.gz TVZKOYFTHHXEAZ-RAIGVLPGSA-N 1 0 282.365 2.112 20 5 CEBDRO CC1(C)CO[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000872243452 649326254 /nfs/dbraw/zinc/32/62/54/649326254.db2.gz PHYLOITYMVUZKJ-KGLIPLIRSA-N 1 0 294.351 2.033 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266780 649334776 /nfs/dbraw/zinc/33/47/76/649334776.db2.gz KKDSERQDPKMNKG-PHIMTYICSA-N 1 0 282.727 2.326 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000872312070 649353323 /nfs/dbraw/zinc/35/33/23/649353323.db2.gz ABYOWBVKBWBEMW-CABCVRRESA-N 1 0 276.336 2.439 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781766 649488771 /nfs/dbraw/zinc/48/87/71/649488771.db2.gz YLPALYGCRVVTNM-VXGBXAGGSA-N 1 0 279.315 2.407 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1Cl ZINC000872781733 649488859 /nfs/dbraw/zinc/48/88/59/649488859.db2.gz XWAHCWQHJLTSER-VXGBXAGGSA-N 1 0 296.758 2.316 20 5 CEBDRO C[C@H](C[N@H+](C)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000872817660 649496426 /nfs/dbraw/zinc/49/64/26/649496426.db2.gz AEDZTBUFPXTVBC-SNVBAGLBSA-N 1 0 254.334 2.363 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873151527 649571094 /nfs/dbraw/zinc/57/10/94/649571094.db2.gz XPFNCALTFFAGOA-KWQFWETISA-N 1 0 292.257 2.305 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cs1 ZINC000873229507 649600482 /nfs/dbraw/zinc/60/04/82/649600482.db2.gz BFLCGRFJOFYHGT-JQWIXIFHSA-N 1 0 267.354 2.031 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000878993029 651223596 /nfs/dbraw/zinc/22/35/96/651223596.db2.gz VLFRTWDGMGVRHH-BETUJISGSA-N 1 0 292.335 2.287 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000879684165 651338878 /nfs/dbraw/zinc/33/88/78/651338878.db2.gz GLTLSHOESDWDJQ-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2cc[nH]c2c1 ZINC000879726004 651343687 /nfs/dbraw/zinc/34/36/87/651343687.db2.gz IFKPKSILYOQFGJ-UHFFFAOYSA-N 1 0 299.334 2.405 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccc([N+](=O)[O-])c1 ZINC000880129932 651387070 /nfs/dbraw/zinc/38/70/70/651387070.db2.gz CJINFLPTRAXHAZ-GJZGRUSLSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccc([N+](=O)[O-])c1 ZINC000880129934 651387373 /nfs/dbraw/zinc/38/73/73/651387373.db2.gz CJINFLPTRAXHAZ-HUUCEWRRSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1csc([N+](=O)[O-])c1 ZINC000880134772 651388310 /nfs/dbraw/zinc/38/83/10/651388310.db2.gz VYZSCPRARCIVSG-VXGBXAGGSA-N 1 0 281.381 2.325 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880297472 651418869 /nfs/dbraw/zinc/41/88/69/651418869.db2.gz NHYXJJYWHMGTJF-NSHDSACASA-N 1 0 295.314 2.215 20 5 CEBDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880434869 651440174 /nfs/dbraw/zinc/44/01/74/651440174.db2.gz IPXVOLNAAAZKBI-BXKDBHETSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000882072476 651952101 /nfs/dbraw/zinc/95/21/01/651952101.db2.gz FIBHGXBSPWTOAM-IUCAKERBSA-N 1 0 280.303 2.166 20 5 CEBDRO CC(=O)c1c(NC[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882391955 652056143 /nfs/dbraw/zinc/05/61/43/652056143.db2.gz FTVSSCYMFXLFJI-SNVBAGLBSA-N 1 0 279.340 2.407 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000882486572 652097627 /nfs/dbraw/zinc/09/76/27/652097627.db2.gz MBFKSWKYIAWGCF-LLVKDONJSA-N 1 0 297.742 2.072 20 5 CEBDRO CCNC(=O)CN(CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131030065 652367819 /nfs/dbraw/zinc/36/78/19/652367819.db2.gz KFXHTJHJPIDEFA-UHFFFAOYSA-N 1 0 299.758 2.206 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000883449434 652473824 /nfs/dbraw/zinc/47/38/24/652473824.db2.gz QFJPIVLXZOJYNQ-CYBMUJFWSA-N 1 0 293.367 2.048 20 5 CEBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134135149 652777610 /nfs/dbraw/zinc/77/76/10/652777610.db2.gz XKMWWYDTBRTBHI-CQSZACIVSA-N 1 0 280.324 2.416 20 5 CEBDRO CC(C)C[NH+]1CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164653269 719330726 /nfs/dbraw/zinc/33/07/26/719330726.db2.gz SZCNFINGJKWFKY-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000611615605 719334557 /nfs/dbraw/zinc/33/45/57/719334557.db2.gz JOXRYAPQUQVETJ-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001165054653 722007197 /nfs/dbraw/zinc/00/71/97/722007197.db2.gz WCDGDAOVYDYSIR-UHFFFAOYSA-N 1 0 293.371 2.004 20 5 CEBDRO Cc1c(C[NH2+]CCO[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000690952808 805842988 /nfs/dbraw/zinc/84/29/88/805842988.db2.gz MTBYBFRWLOCCGN-LBPRGKRZSA-N 1 0 286.278 2.417 20 5 CEBDRO Cc1cc2c(ncnc2O[C@@H](C)C[N+](C)(C)C)s1 ZINC001227055321 805846857 /nfs/dbraw/zinc/84/68/57/805846857.db2.gz IUTXXMJVOGVNNH-VIFPVBQESA-N 1 0 266.390 2.473 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000300576359 806509727 /nfs/dbraw/zinc/50/97/27/806509727.db2.gz GGTQMWLMNHMPNI-ZANVPECISA-N 1 0 295.295 2.160 20 5 CEBDRO CCOC(CC[NH2+]Cc1ccccc1[N+](=O)[O-])OCC ZINC000159541619 806820831 /nfs/dbraw/zinc/82/08/31/806820831.db2.gz DCLNSNPFKSHWIL-UHFFFAOYSA-N 1 0 282.340 2.474 20 5 CEBDRO CCOC(=O)[C@H]1CCC[C@H](OCCC[N+](C)(C)C)C1 ZINC001224621338 806870176 /nfs/dbraw/zinc/87/01/76/806870176.db2.gz RNIARFBAPYRERO-KBPBESRZSA-N 1 0 272.409 2.221 20 5 CEBDRO Cc1ccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217977182 803523033 /nfs/dbraw/zinc/52/30/33/803523033.db2.gz MPURQNLEBWOYOW-WCQYABFASA-N 1 0 268.288 2.372 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000719713805 803542649 /nfs/dbraw/zinc/54/26/49/803542649.db2.gz BNTZKXUNZMIMST-UHFFFAOYSA-N 1 0 276.296 2.187 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(C[C@H]3CCC[NH2+]C3)c2)c1 ZINC001118134881 814988060 /nfs/dbraw/zinc/98/80/60/814988060.db2.gz HJXPMIGDLTVQLK-LBPRGKRZSA-N 1 0 286.335 2.458 20 5 CEBDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125526682 804091747 /nfs/dbraw/zinc/09/17/47/804091747.db2.gz UACHVVMHHUNJTC-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000716023763 815015270 /nfs/dbraw/zinc/01/52/70/815015270.db2.gz ZFZWFGAHZVJGMA-LBPRGKRZSA-N 1 0 294.351 2.474 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001118558363 815024929 /nfs/dbraw/zinc/02/49/29/815024929.db2.gz OUSLWAHJSMQCQM-CQSZACIVSA-N 1 0 280.299 2.081 20 5 CEBDRO CC[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223709097 804614797 /nfs/dbraw/zinc/61/47/97/804614797.db2.gz UVOOYPHWSJQTFB-CABCVRRESA-N 1 0 280.388 2.138 20 5 CEBDRO CC[N@@H+]1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225960081 805392114 /nfs/dbraw/zinc/39/21/14/805392114.db2.gz OWBJXNKZCUKUNU-MRVPVSSYSA-N 1 0 272.251 2.346 20 5 CEBDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000721776111 805401163 /nfs/dbraw/zinc/40/11/63/805401163.db2.gz KEUVZNASBVYDRD-LLVKDONJSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000262010903 805486913 /nfs/dbraw/zinc/48/69/13/805486913.db2.gz VACGMOFITJASQI-MWLCHTKSSA-N 1 0 283.759 2.417 20 5 CEBDRO C[NH+](C)CCNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001161667088 805539212 /nfs/dbraw/zinc/53/92/12/805539212.db2.gz WFQSFXKXCRASII-UHFFFAOYSA-N 1 0 278.287 2.256 20 5 CEBDRO COC(=O)CCc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233658347 807440058 /nfs/dbraw/zinc/44/00/58/807440058.db2.gz LIZOOLUIXSLOEZ-ZDUSSCGKSA-N 1 0 280.388 2.266 20 5 CEBDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000699477224 807724530 /nfs/dbraw/zinc/72/45/30/807724530.db2.gz DZWRPXWWYNWAFT-ZYHUDNBSSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC001119696108 815150887 /nfs/dbraw/zinc/15/08/87/815150887.db2.gz OSNGUJXJOBGMJC-GFCCVEGCSA-N 1 0 263.341 2.214 20 5 CEBDRO Cc1nc2cc(C[NH2+]CC[N+](=O)[O-])ccc2n1C1CC1 ZINC001120512493 815231795 /nfs/dbraw/zinc/23/17/95/815231795.db2.gz COMVMDXWNNHSMZ-UHFFFAOYSA-N 1 0 274.324 2.046 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700602258 809330739 /nfs/dbraw/zinc/33/07/39/809330739.db2.gz HTJJXFMZJLWBRC-PSASIEDQSA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000701937532 809477140 /nfs/dbraw/zinc/47/71/40/809477140.db2.gz YXHJUMUBLRCXBE-CMPLNLGQSA-N 1 0 286.278 2.263 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702056126 809490852 /nfs/dbraw/zinc/49/08/52/809490852.db2.gz PXGNSIIINOAFHD-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065424 809492142 /nfs/dbraw/zinc/49/21/42/809492142.db2.gz IYHHVMSRHKYQKH-CYBMUJFWSA-N 1 0 297.742 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC001120923057 815297253 /nfs/dbraw/zinc/29/72/53/815297253.db2.gz CGYNTBHZVWPNQU-UHFFFAOYSA-N 1 0 299.334 2.466 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCCF ZINC000702549575 809564954 /nfs/dbraw/zinc/56/49/54/809564954.db2.gz ZYXUKGXMZCEPSE-UHFFFAOYSA-N 1 0 276.695 2.324 20 5 CEBDRO CC[NH+](CC)CC[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC001121020728 815306067 /nfs/dbraw/zinc/30/60/67/815306067.db2.gz UUYLNORIFIAJHH-JTQLQIEISA-N 1 0 283.376 2.169 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707130634 809880517 /nfs/dbraw/zinc/88/05/17/809880517.db2.gz KZMSPYNWGVARKF-CYBMUJFWSA-N 1 0 282.315 2.469 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000708478367 809920363 /nfs/dbraw/zinc/92/03/63/809920363.db2.gz PNBVAUZJYXAKKW-QMTHXVAHSA-N 1 0 282.315 2.327 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168768499 810679413 /nfs/dbraw/zinc/67/94/13/810679413.db2.gz XUAGMPRRKTUARA-UHFFFAOYSA-N 1 0 291.355 2.242 20 5 CEBDRO Cc1cnc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001155019584 810917357 /nfs/dbraw/zinc/91/73/57/810917357.db2.gz FCKLKVNUFHAJJF-RYUDHWBXSA-N 1 0 278.356 2.346 20 5 CEBDRO [NH3+][C@@H]1CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001156226233 811257045 /nfs/dbraw/zinc/25/70/45/811257045.db2.gz JIFGZWCGHJVACS-MRVPVSSYSA-N 1 0 292.726 2.334 20 5 CEBDRO COc1cccc(F)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976197 811304703 /nfs/dbraw/zinc/30/47/03/811304703.db2.gz ZHSMIIRFQPXBRV-MNOVXSKESA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccncc3)CC2)C1 ZINC001168976218 811304723 /nfs/dbraw/zinc/30/47/23/811304723.db2.gz ZRJXGWUGFUYEGP-WCQYABFASA-N 1 0 261.325 2.106 20 5 CEBDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977792 811307575 /nfs/dbraw/zinc/30/75/75/811307575.db2.gz LYCHQZMZIZSUOK-XQQFMLRXSA-N 1 0 263.341 2.486 20 5 CEBDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)N1O ZINC001168982785 811309340 /nfs/dbraw/zinc/30/93/40/811309340.db2.gz JAEZPNNPUDIQCM-SRVKXCTJSA-N 1 0 285.388 2.042 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]COc2ccccc2)C1 ZINC001168983743 811311892 /nfs/dbraw/zinc/31/18/92/811311892.db2.gz LCXPVFXPIJFTQL-RYUDHWBXSA-N 1 0 250.298 2.058 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001168959418 811313375 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Cc1ccccc1OCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967563 811318102 /nfs/dbraw/zinc/31/81/02/811318102.db2.gz QUKQERSAUOFQQJ-UONOGXRCSA-N 1 0 278.352 2.409 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001168966079 811318193 /nfs/dbraw/zinc/31/81/93/811318193.db2.gz GBSUPVLGUBRFEF-QWHCGFSZSA-N 1 0 270.373 2.107 20 5 CEBDRO Cc1cccc2c1[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966481 811318286 /nfs/dbraw/zinc/31/82/86/811318286.db2.gz IMKBUXWQPNYMAN-MJVIPROJSA-N 1 0 289.335 2.023 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC001168966848 811318526 /nfs/dbraw/zinc/31/85/26/811318526.db2.gz LQOGFZBICVHESE-AAEUAGOBSA-N 1 0 282.315 2.240 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975648 811323149 /nfs/dbraw/zinc/32/31/49/811323149.db2.gz WQKTWDHBBZCCQS-GXSJLCMTSA-N 1 0 298.289 2.183 20 5 CEBDRO Cn1cc2cccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2n1 ZINC001168975658 811323617 /nfs/dbraw/zinc/32/36/17/811323617.db2.gz WQXWDLYNOVFRRY-BXUZGUMPSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(CC3CCC3)cn2)C1 ZINC001168998498 811326919 /nfs/dbraw/zinc/32/69/19/811326919.db2.gz NREMURIXVJDRTL-ZIAGYGMSSA-N 1 0 292.383 2.218 20 5 CEBDRO Cn1ncc2c1cccc2C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169002013 811328446 /nfs/dbraw/zinc/32/84/46/811328446.db2.gz JDGWTHBUAGAFQD-AAEUAGOBSA-N 1 0 288.351 2.108 20 5 CEBDRO COc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C[NH3+] ZINC001169001270 811328527 /nfs/dbraw/zinc/32/85/27/811328527.db2.gz FDQXGELLWZCWOZ-CMPLNLGQSA-N 1 0 279.340 2.011 20 5 CEBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006916 811331999 /nfs/dbraw/zinc/33/19/99/811331999.db2.gz KFYJLXPFFUXVJF-NEPJUHHUSA-N 1 0 298.383 2.143 20 5 CEBDRO CC(C)(Cc1cccnc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006334 811332536 /nfs/dbraw/zinc/33/25/36/811332536.db2.gz XOIJSDGLZOIVKW-JSGCOSHPSA-N 1 0 277.368 2.438 20 5 CEBDRO C[N@H+](Cc1cnc2ccccn12)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012299 811333507 /nfs/dbraw/zinc/33/35/07/811333507.db2.gz OYIAASCMUYNFHJ-STQMWFEESA-N 1 0 288.351 2.212 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001169011696 811334568 /nfs/dbraw/zinc/33/45/68/811334568.db2.gz MEYSXUMUESTBHT-USZNOCQGSA-N 1 0 274.311 2.409 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168986813 811336204 /nfs/dbraw/zinc/33/62/04/811336204.db2.gz ZSMMOTCANNGOEQ-VXGBXAGGSA-N 1 0 263.341 2.352 20 5 CEBDRO COc1cc(F)cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168988114 811338182 /nfs/dbraw/zinc/33/81/82/811338182.db2.gz OAIFBSDNSHVOFW-GWCFXTLKSA-N 1 0 282.315 2.369 20 5 CEBDRO [NH3+]C1(CC2CCC2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990869 811338777 /nfs/dbraw/zinc/33/87/77/811338777.db2.gz FDJZSWQTODMKAA-LSDHHAIUSA-N 1 0 295.427 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC001169033327 811343725 /nfs/dbraw/zinc/34/37/25/811343725.db2.gz BYNMQGACBINMHT-VWYCJHECSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001169036067 811345781 /nfs/dbraw/zinc/34/57/81/811345781.db2.gz MWUYGHNRYYTFNT-CHWSQXEVSA-N 1 0 268.357 2.077 20 5 CEBDRO COc1cccc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035171 811347419 /nfs/dbraw/zinc/34/74/19/811347419.db2.gz BAKIORZPHKVFFU-WCQYABFASA-N 1 0 276.336 2.456 20 5 CEBDRO CCOC(=O)C1(C)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037575 811348004 /nfs/dbraw/zinc/34/80/04/811348004.db2.gz SQGMEEWLAWVLTC-STQMWFEESA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169043509 811351048 /nfs/dbraw/zinc/35/10/48/811351048.db2.gz GXKFHIBUVYGTJB-TZMCWYRMSA-N 1 0 298.383 2.240 20 5 CEBDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169025906 811354879 /nfs/dbraw/zinc/35/48/79/811354879.db2.gz JUWXAKNCSPYJRF-ARILJUKYSA-N 1 0 282.384 2.179 20 5 CEBDRO Cc1ncccc1C[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046888 811355882 /nfs/dbraw/zinc/35/58/82/811355882.db2.gz ODAQHTYXUFFYOF-TZMCWYRMSA-N 1 0 263.341 2.267 20 5 CEBDRO CC1(C)C[C@@H](Nc2nccnc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169136000 811399571 /nfs/dbraw/zinc/39/95/71/811399571.db2.gz DTHOPBMGDPUROQ-YGRLFVJLSA-N 1 0 293.371 2.340 20 5 CEBDRO Cc1c(-n2ccc(C[NH3+])c2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169726531 811628092 /nfs/dbraw/zinc/62/80/92/811628092.db2.gz XENVUAHULYVSAM-UHFFFAOYSA-N 1 0 276.252 2.061 20 5 CEBDRO COc1ccnc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001169711602 811637398 /nfs/dbraw/zinc/63/73/98/811637398.db2.gz NLAILJATTRLKCN-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001170254760 812373408 /nfs/dbraw/zinc/37/34/08/812373408.db2.gz QZMHXRCOSAZXQG-UHFFFAOYSA-N 1 0 255.705 2.222 20 5 CEBDRO COc1ccc(C[C@H](C)N(CC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001170297867 812376577 /nfs/dbraw/zinc/37/65/77/812376577.db2.gz UPCAAVUJEHNPPB-LBPRGKRZSA-N 1 0 295.383 2.204 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC001170314474 812385647 /nfs/dbraw/zinc/38/56/47/812385647.db2.gz VXUPPVJFKOKXJF-LLVKDONJSA-N 1 0 294.351 2.039 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC001172907306 815540326 /nfs/dbraw/zinc/54/03/26/815540326.db2.gz RTOLCUABRCZSSG-OJLVUWQFSA-N 1 0 288.347 2.077 20 5 CEBDRO C[C@H](CO)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902270 815540690 /nfs/dbraw/zinc/54/06/90/815540690.db2.gz WSLZCUUCGRBDPF-SMDDNHRTSA-N 1 0 278.352 2.060 20 5 CEBDRO Cc1cc(Cl)nc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC001158177267 812624895 /nfs/dbraw/zinc/62/48/95/812624895.db2.gz RSZADARFVVBMBI-IUCAKERBSA-N 1 0 284.747 2.138 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](CO)C1)CC2 ZINC001172910335 815558321 /nfs/dbraw/zinc/55/83/21/815558321.db2.gz LQKSSDMFFPOQAZ-IUODEOHRSA-N 1 0 290.363 2.156 20 5 CEBDRO O=[N+]([O-])c1cccc2ccc(N3CC4(C3)CCC[NH2+]C4)nc21 ZINC001159019096 813180339 /nfs/dbraw/zinc/18/03/39/813180339.db2.gz BGBYYIHAICELBT-UHFFFAOYSA-N 1 0 298.346 2.333 20 5 CEBDRO CC(C)([NH3+])CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001160025099 813721383 /nfs/dbraw/zinc/72/13/83/813721383.db2.gz JBSXECONOZTGFL-UHFFFAOYSA-N 1 0 294.689 2.019 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC(C)(C)[NH3+] ZINC001171192703 814085555 /nfs/dbraw/zinc/08/55/55/814085555.db2.gz KSOXJKNTQDUPNH-UHFFFAOYSA-N 1 0 253.302 2.061 20 5 CEBDRO [NH3+]C/C=C/CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160977538 814304499 /nfs/dbraw/zinc/30/44/99/814304499.db2.gz ZIOSQGFKIUYNAJ-OWOJBTEDSA-N 1 0 293.714 2.118 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC001117281318 814913382 /nfs/dbraw/zinc/91/33/82/814913382.db2.gz QCXJNXKIIIAHGJ-GFCCVEGCSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000714982236 814920047 /nfs/dbraw/zinc/92/00/47/814920047.db2.gz JNSXDYXTNBOTHJ-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO CCC[N@H+](C)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124043749 815591014 /nfs/dbraw/zinc/59/10/14/815591014.db2.gz LMSHINBPFOPDSG-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(C)C1 ZINC001173215207 815623792 /nfs/dbraw/zinc/62/37/92/815623792.db2.gz UINKIJSLECEMRW-OCCSQVGLSA-N 1 0 277.368 2.210 20 5 CEBDRO CCOC(=O)CCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219194 815624827 /nfs/dbraw/zinc/62/48/27/815624827.db2.gz YRJZKQMPGVIXGU-GFCCVEGCSA-N 1 0 294.351 2.459 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232503 815632346 /nfs/dbraw/zinc/63/23/46/815632346.db2.gz BUXFNGDLZUDCTL-RISCZKNCSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccno1 ZINC001173209281 815635417 /nfs/dbraw/zinc/63/54/17/815635417.db2.gz BANYYHKNHWDCJV-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC001173214342 815636668 /nfs/dbraw/zinc/63/66/68/815636668.db2.gz AOQXDZBACYIFMP-LLVKDONJSA-N 1 0 287.319 2.416 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(CC[NH3+])n1 ZINC001173214324 815636966 /nfs/dbraw/zinc/63/69/66/815636966.db2.gz ANKPRPOISDSLTQ-NSHDSACASA-N 1 0 274.324 2.096 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000124398017 187136314 /nfs/dbraw/zinc/13/63/14/187136314.db2.gz MZKWMOMLVVQLHP-UHFFFAOYSA-N 1 0 274.324 2.313 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000124446855 187137722 /nfs/dbraw/zinc/13/77/22/187137722.db2.gz LTZFDCLRBSGDCG-AWEZNQCLSA-N 1 0 291.351 2.085 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nncn1C ZINC000449126917 282110443 /nfs/dbraw/zinc/11/04/43/282110443.db2.gz NUAUPYDDLQYLOJ-GHMZBOCLSA-N 1 0 289.339 2.005 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269260181 190481976 /nfs/dbraw/zinc/48/19/76/190481976.db2.gz IZKAOSFUESVNFV-NSHDSACASA-N 1 0 291.307 2.054 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121694616 365604765 /nfs/dbraw/zinc/60/47/65/365604765.db2.gz TUGXGBHTUKGSSX-MRVPVSSYSA-N 1 0 271.267 2.379 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000037562881 361903611 /nfs/dbraw/zinc/90/36/11/361903611.db2.gz FLMCBUBNKUAGCS-NWDGAFQWSA-N 1 0 281.381 2.373 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)[S@](C)=O ZINC000449226511 282148506 /nfs/dbraw/zinc/14/85/06/282148506.db2.gz XTHCSAQLIOQZIZ-HTGLOVNISA-N 1 0 298.408 2.273 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)[S@](C)=O ZINC000449226512 282148508 /nfs/dbraw/zinc/14/85/08/282148508.db2.gz XTHCSAQLIOQZIZ-JGRMJRGVSA-N 1 0 298.408 2.273 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H](C)C[S@](C)=O ZINC000449239438 282154071 /nfs/dbraw/zinc/15/40/71/282154071.db2.gz JMYRUYVNIVTCPU-HTGLOVNISA-N 1 0 298.408 2.225 20 5 CEBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000038011309 361978792 /nfs/dbraw/zinc/97/87/92/361978792.db2.gz SODRUHGZYMGVHD-VIFPVBQESA-N 1 0 260.297 2.477 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449268563 282164217 /nfs/dbraw/zinc/16/42/17/282164217.db2.gz HTBVTQGVSSECNT-QWRGUYRKSA-N 1 0 252.314 2.150 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1C[C@H]1CCCC[N@H+]1C(C)C ZINC000412998242 282168416 /nfs/dbraw/zinc/16/84/16/282168416.db2.gz YDJRXPRHAWZOQB-GFCCVEGCSA-N 1 0 266.345 2.363 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000210103150 539210958 /nfs/dbraw/zinc/21/09/58/539210958.db2.gz KSUKUFGIURLFOO-TWGQIWQCSA-N 1 0 291.351 2.064 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310364 343449679 /nfs/dbraw/zinc/44/96/79/343449679.db2.gz XFDZLZZQNDDYOZ-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(F)c1 ZINC000047873289 362229218 /nfs/dbraw/zinc/22/92/18/362229218.db2.gz OEVXUMKNIOBZHM-UHFFFAOYSA-N 1 0 253.277 2.242 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044491634 343472554 /nfs/dbraw/zinc/47/25/54/343472554.db2.gz AYNKTEINVZBZGH-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000295006702 199295827 /nfs/dbraw/zinc/29/58/27/199295827.db2.gz AMHOZXPIBDXIQM-LLVKDONJSA-N 1 0 264.329 2.073 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000601978564 346948638 /nfs/dbraw/zinc/94/86/38/346948638.db2.gz YVBXRJUJRSWXMU-LBPRGKRZSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295062030 199324899 /nfs/dbraw/zinc/32/48/99/199324899.db2.gz YVFWXEZJCAQDFX-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057159886 343625898 /nfs/dbraw/zinc/62/58/98/343625898.db2.gz BNCNOERAUQWSPZ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449580453 282290910 /nfs/dbraw/zinc/29/09/10/282290910.db2.gz QODONOFETTXWFF-KGLIPLIRSA-N 1 0 292.335 2.416 20 5 CEBDRO COc1ccc(NC(=O)C[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962414 343705314 /nfs/dbraw/zinc/70/53/14/343705314.db2.gz GRXRWFGMVPHCHN-UHFFFAOYSA-N 1 0 295.339 2.130 20 5 CEBDRO Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000602025117 346963302 /nfs/dbraw/zinc/96/33/02/346963302.db2.gz CPULZJGVMMMUMD-LLVKDONJSA-N 1 0 277.324 2.184 20 5 CEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1(C)C ZINC000602170370 346986735 /nfs/dbraw/zinc/98/67/35/346986735.db2.gz JGENKBNJMCGMIS-UWVGGRQHSA-N 1 0 297.380 2.115 20 5 CEBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698177 343809270 /nfs/dbraw/zinc/80/92/70/343809270.db2.gz YVXCGURODNBGFH-MFKMUULPSA-N 1 0 291.351 2.314 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338869862 214815668 /nfs/dbraw/zinc/81/56/68/214815668.db2.gz MISAMLOUSSCYMH-NSHDSACASA-N 1 0 296.371 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000078424806 343952223 /nfs/dbraw/zinc/95/22/23/343952223.db2.gz XDKKMPPLOJLPGW-CYBMUJFWSA-N 1 0 290.367 2.302 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CC1 ZINC000048580021 362287035 /nfs/dbraw/zinc/28/70/35/362287035.db2.gz QQGJZNZRNIFQDV-JTQLQIEISA-N 1 0 277.324 2.264 20 5 CEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC1 ZINC000048579955 362287578 /nfs/dbraw/zinc/28/75/78/362287578.db2.gz GUCGFMWEHMDADO-JTQLQIEISA-N 1 0 277.324 2.264 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCOCC1)CC2 ZINC000088605499 344112307 /nfs/dbraw/zinc/11/23/07/344112307.db2.gz JHOYTMCVAOWFAJ-UHFFFAOYSA-N 1 0 276.336 2.380 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000088723033 344113442 /nfs/dbraw/zinc/11/34/42/344113442.db2.gz FHBWGFDGJQDHNM-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128220690 187357953 /nfs/dbraw/zinc/35/79/53/187357953.db2.gz YLEVMKKDWGUTHV-OLZOCXBDSA-N 1 0 279.315 2.060 20 5 CEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000091480262 344164748 /nfs/dbraw/zinc/16/47/48/344164748.db2.gz HWFZCXSPXPRZGP-CQSZACIVSA-N 1 0 279.340 2.118 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](C)C1 ZINC000091483070 344165523 /nfs/dbraw/zinc/16/55/23/344165523.db2.gz CXAPIAUPJHTKPD-GFCCVEGCSA-N 1 0 293.367 2.495 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CC2)c1 ZINC000351589687 219135462 /nfs/dbraw/zinc/13/54/62/219135462.db2.gz ZXAAPVIWFWCUEH-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092652182 344197718 /nfs/dbraw/zinc/19/77/18/344197718.db2.gz ZRGLFFOXZWKVTK-JTQLQIEISA-N 1 0 297.330 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]C2CC2)CC1 ZINC000092686259 344200663 /nfs/dbraw/zinc/20/06/63/344200663.db2.gz ZXZHQTNUDVRYQB-UHFFFAOYSA-N 1 0 276.340 2.019 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602454623 347040781 /nfs/dbraw/zinc/04/07/81/347040781.db2.gz OKNNDTHRJKIWHH-ZYHUDNBSSA-N 1 0 264.329 2.093 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602460248 347041991 /nfs/dbraw/zinc/04/19/91/347041991.db2.gz XIKIESDKPOIZKU-NSHDSACASA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449708286 282336642 /nfs/dbraw/zinc/33/66/42/282336642.db2.gz GLHRHVHGWDRBOO-TZMCWYRMSA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050015583 362390138 /nfs/dbraw/zinc/39/01/38/362390138.db2.gz CUHXWXGFEJIYKH-YRGRVCCFSA-N 1 0 277.368 2.413 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000160970999 344462372 /nfs/dbraw/zinc/46/23/72/344462372.db2.gz CSKFJZCYBROJLL-RKDXNWHRSA-N 1 0 297.742 2.248 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161287011 344463555 /nfs/dbraw/zinc/46/35/55/344463555.db2.gz DVPCXIQUSQWCSJ-UHFFFAOYSA-N 1 0 298.346 2.312 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000228560501 344561115 /nfs/dbraw/zinc/56/11/15/344561115.db2.gz FQUGKQKBDSKYST-SNVBAGLBSA-N 1 0 274.280 2.378 20 5 CEBDRO CC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229935061 344569361 /nfs/dbraw/zinc/56/93/61/344569361.db2.gz JAPVTUHZQZUFIK-NSHDSACASA-N 1 0 295.730 2.298 20 5 CEBDRO COc1ccc(OCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000232311461 344577236 /nfs/dbraw/zinc/57/72/36/344577236.db2.gz NHAOKBUOTCZDND-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051837641 362440910 /nfs/dbraw/zinc/44/09/10/362440910.db2.gz RNIIQEGWPQKPHO-MRVPVSSYSA-N 1 0 258.705 2.061 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050370383 362416944 /nfs/dbraw/zinc/41/69/44/362416944.db2.gz YFFLINBGNHXNCC-DGCLKSJQSA-N 1 0 250.298 2.252 20 5 CEBDRO COCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602505977 347059985 /nfs/dbraw/zinc/05/99/85/347059985.db2.gz RCHVVAJHRSFQHM-UHFFFAOYSA-N 1 0 278.230 2.350 20 5 CEBDRO Cn1cc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000237778204 344603856 /nfs/dbraw/zinc/60/38/56/344603856.db2.gz YOMVSOFWCKEKHO-UHFFFAOYSA-N 1 0 274.324 2.051 20 5 CEBDRO CO[C@H](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311090137 344732762 /nfs/dbraw/zinc/73/27/62/344732762.db2.gz QRVUAIYMYLHQJT-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000312812858 344740315 /nfs/dbraw/zinc/74/03/15/344740315.db2.gz LTFOCZHAMFNJKB-BETUJISGSA-N 1 0 275.352 2.339 20 5 CEBDRO CO[C@](C)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000314376563 344745401 /nfs/dbraw/zinc/74/54/01/344745401.db2.gz QNCAPWVVJZYDFR-OAHLLOKOSA-N 1 0 294.351 2.378 20 5 CEBDRO CCOC1CC(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602537718 347070031 /nfs/dbraw/zinc/07/00/31/347070031.db2.gz CVDMJASWDQZZHU-UHFFFAOYSA-N 1 0 294.351 2.378 20 5 CEBDRO CCCN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000328148155 344754680 /nfs/dbraw/zinc/75/46/80/344754680.db2.gz CSXAWQBMSDFLBP-AWEZNQCLSA-N 1 0 277.368 2.211 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449764922 282359605 /nfs/dbraw/zinc/35/96/05/282359605.db2.gz FJBBYWGDMWRTST-UDGJJRABSA-N 1 0 276.336 2.311 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401225228 344867658 /nfs/dbraw/zinc/86/76/58/344867658.db2.gz WWKRTYRELUIQOE-SNVBAGLBSA-N 1 0 268.292 2.024 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401225227 344867856 /nfs/dbraw/zinc/86/78/56/344867856.db2.gz WWKRTYRELUIQOE-JTQLQIEISA-N 1 0 268.292 2.024 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789797 282369141 /nfs/dbraw/zinc/36/91/41/282369141.db2.gz IHGCKLJLNFVOHP-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000584819065 344989448 /nfs/dbraw/zinc/98/94/48/344989448.db2.gz SCGUWYWKJBPBSF-ZDUSSCGKSA-N 1 0 292.339 2.232 20 5 CEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054128374 362513891 /nfs/dbraw/zinc/51/38/91/362513891.db2.gz OFEHXQVUTAMBEC-UHFFFAOYSA-N 1 0 282.300 2.255 20 5 CEBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000589494937 345084296 /nfs/dbraw/zinc/08/42/96/345084296.db2.gz ABPXDVMUXSPRGK-UHFFFAOYSA-N 1 0 278.308 2.366 20 5 CEBDRO Cc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000590687321 345160785 /nfs/dbraw/zinc/16/07/85/345160785.db2.gz KNCKSMIWFLTWAC-UHFFFAOYSA-N 1 0 293.371 2.004 20 5 CEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000590404120 345133768 /nfs/dbraw/zinc/13/37/68/345133768.db2.gz UPIYKYUDQYTAOV-SMDDNHRTSA-N 1 0 291.351 2.068 20 5 CEBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000590663651 345157427 /nfs/dbraw/zinc/15/74/27/345157427.db2.gz FZWMYGHZGDCANU-UONOGXRCSA-N 1 0 276.336 2.452 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591272466 345236794 /nfs/dbraw/zinc/23/67/94/345236794.db2.gz POPHNQKEXWNGJI-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591446406 345256852 /nfs/dbraw/zinc/25/68/52/345256852.db2.gz RQGDTAWHZSCOEQ-SKDRFNHKSA-N 1 0 286.335 2.235 20 5 CEBDRO Cc1c(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cccc1[N+](=O)[O-] ZINC000591448681 345257217 /nfs/dbraw/zinc/25/72/17/345257217.db2.gz NNTOHHHSWJICFM-GXTWGEPZSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591436853 345253678 /nfs/dbraw/zinc/25/36/78/345253678.db2.gz BYSNPFMQJCRUOI-RYUDHWBXSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC2(CC[NH2+]2)CC1 ZINC000591560559 345264178 /nfs/dbraw/zinc/26/41/78/345264178.db2.gz UMJCALCFTFLLKZ-UHFFFAOYSA-N 1 0 298.346 2.475 20 5 CEBDRO C[C@H]([NH3+])CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000591581323 345266757 /nfs/dbraw/zinc/26/67/57/345266757.db2.gz PVXKZWBXKNBVRM-TVQRCGJNSA-N 1 0 263.341 2.254 20 5 CEBDRO O=C(CC[NH2+]CCC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000591744479 345276767 /nfs/dbraw/zinc/27/67/67/345276767.db2.gz BLHGRZXDQWEHHU-UHFFFAOYSA-N 1 0 277.324 2.313 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592329197 345342938 /nfs/dbraw/zinc/34/29/38/345342938.db2.gz POJQBHHPFGYWJF-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593187905 345451131 /nfs/dbraw/zinc/45/11/31/345451131.db2.gz VVZYKIXEYKIBNQ-IVZWLZJFSA-N 1 0 297.380 2.209 20 5 CEBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000593480240 345494608 /nfs/dbraw/zinc/49/46/08/345494608.db2.gz PIWCCKVUWVFPEN-UHFFFAOYSA-N 1 0 266.345 2.380 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H](CO)CCF)C1CC1 ZINC000593718530 345526580 /nfs/dbraw/zinc/52/65/80/345526580.db2.gz IKMCFSKYHIKGTI-KBPBESRZSA-N 1 0 296.342 2.226 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000127448826 187306617 /nfs/dbraw/zinc/30/66/17/187306617.db2.gz NUTFKLPZKJTWNR-AWEZNQCLSA-N 1 0 279.340 2.006 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000594015242 345566728 /nfs/dbraw/zinc/56/67/28/345566728.db2.gz YWTHHQYAJVDSPU-CQSZACIVSA-N 1 0 294.351 2.211 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495747 345638309 /nfs/dbraw/zinc/63/83/09/345638309.db2.gz VERBIAFHJQLVSQ-GXTWGEPZSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594615363 345662830 /nfs/dbraw/zinc/66/28/30/345662830.db2.gz NKKIQIBWCXHYRL-NSHDSACASA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510189 345640980 /nfs/dbraw/zinc/64/09/80/345640980.db2.gz ARTSBJBSLKTUIV-CABZTGNLSA-N 1 0 264.325 2.331 20 5 CEBDRO [NH3+]C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000594583435 345651520 /nfs/dbraw/zinc/65/15/20/345651520.db2.gz MMXMKKCPHDGQSK-MZBZXASESA-N 1 0 289.257 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594599259 345656298 /nfs/dbraw/zinc/65/62/98/345656298.db2.gz IPVKQVHSAXDYDL-OLZOCXBDSA-N 1 0 276.340 2.419 20 5 CEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000058883686 362641428 /nfs/dbraw/zinc/64/14/28/362641428.db2.gz ZHBBLMYGSSEDLZ-UHFFFAOYSA-N 1 0 299.396 2.316 20 5 CEBDRO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595293065 345756103 /nfs/dbraw/zinc/75/61/03/345756103.db2.gz XIQDVBFIWRHCNH-DTORHVGOSA-N 1 0 253.302 2.369 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](C)O ZINC000595007036 345725517 /nfs/dbraw/zinc/72/55/17/345725517.db2.gz FATWQGJEWBKKEG-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000595010875 345725951 /nfs/dbraw/zinc/72/59/51/345725951.db2.gz ZNPDQBYWIQBYLE-AAEUAGOBSA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000595021020 345728740 /nfs/dbraw/zinc/72/87/40/345728740.db2.gz WKIDFMYTNSXVON-SECBINFHSA-N 1 0 268.313 2.025 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCCO ZINC000595022265 345729793 /nfs/dbraw/zinc/72/97/93/345729793.db2.gz TTYPEGGJWTYELJ-QWRGUYRKSA-N 1 0 282.340 2.415 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C/CO)CCC2 ZINC000595066079 345738212 /nfs/dbraw/zinc/73/82/12/345738212.db2.gz BUOLAALJYXZRCX-VSZDKKFSSA-N 1 0 262.309 2.110 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066258 345738537 /nfs/dbraw/zinc/73/85/37/345738537.db2.gz HBZXUOPRGYEXLC-ZWNOBZJWSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[C@H](C)[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595592633 345820717 /nfs/dbraw/zinc/82/07/17/345820717.db2.gz HLFCYIPNSLIFTC-JSGCOSHPSA-N 1 0 296.367 2.455 20 5 CEBDRO Cc1noc(CN2CCC[C@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444577 345783990 /nfs/dbraw/zinc/78/39/90/345783990.db2.gz BLTBZAQPQZCVJU-LBPRGKRZSA-N 1 0 295.339 2.282 20 5 CEBDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595488753 345794081 /nfs/dbraw/zinc/79/40/81/345794081.db2.gz CQDXFVUPOMIQRN-ZDUSSCGKSA-N 1 0 270.304 2.231 20 5 CEBDRO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595731400 345861624 /nfs/dbraw/zinc/86/16/24/345861624.db2.gz FRSIKEQCCJTZEU-QWRGUYRKSA-N 1 0 264.325 2.044 20 5 CEBDRO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595734407 345862531 /nfs/dbraw/zinc/86/25/31/345862531.db2.gz ZNVUNUCWRWZQLT-MSRIBSCDSA-N 1 0 282.315 2.183 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(COC2)C1 ZINC000595834061 345890703 /nfs/dbraw/zinc/89/07/03/345890703.db2.gz GNUQYJAXPKJLPO-NSHDSACASA-N 1 0 262.309 2.378 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595811608 345882397 /nfs/dbraw/zinc/88/23/97/345882397.db2.gz VVQVBLBQBMMCQQ-VXGBXAGGSA-N 1 0 289.335 2.265 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595951387 345917378 /nfs/dbraw/zinc/91/73/78/345917378.db2.gz QOOJXXYWYGJYCG-CYBMUJFWSA-N 1 0 279.340 2.006 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000596013202 345923252 /nfs/dbraw/zinc/92/32/52/345923252.db2.gz DOXVEHMTRVKEGY-WOPDTQHZSA-N 1 0 293.367 2.413 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[NH2+][C@H](C)C1 ZINC000596016337 345923718 /nfs/dbraw/zinc/92/37/18/345923718.db2.gz QCLGAACMFZZXSI-ZJUUUORDSA-N 1 0 265.313 2.156 20 5 CEBDRO CC[NH+](CC)CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596098444 345939536 /nfs/dbraw/zinc/93/95/36/345939536.db2.gz NXJPIIHDKOYXKV-UHFFFAOYSA-N 1 0 282.344 2.229 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000128292376 187362201 /nfs/dbraw/zinc/36/22/01/187362201.db2.gz FJOLRAXMANPPFC-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H](C)[NH+](C)C)c1 ZINC000596429488 346021222 /nfs/dbraw/zinc/02/12/22/346021222.db2.gz HYYRGBATESFFMZ-JTQLQIEISA-N 1 0 295.339 2.134 20 5 CEBDRO COc1cc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596433193 346022794 /nfs/dbraw/zinc/02/27/94/346022794.db2.gz RZGKCFYJISGQEW-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO Cc1cc(NCCOCCF)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596569447 346057049 /nfs/dbraw/zinc/05/70/49/346057049.db2.gz HPQCWMBPAWPCNS-UHFFFAOYSA-N 1 0 293.298 2.271 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597055257 346121629 /nfs/dbraw/zinc/12/16/29/346121629.db2.gz FHWDZTYISAVNLN-DZGCQCFKSA-N 1 0 276.336 2.294 20 5 CEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCc2nn[nH]c2C1 ZINC000597250030 346162511 /nfs/dbraw/zinc/16/25/11/346162511.db2.gz QMSICAMYSFXAME-YRNVUSSQSA-N 1 0 299.334 2.175 20 5 CEBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000598682892 346400471 /nfs/dbraw/zinc/40/04/71/346400471.db2.gz QEZDGYIPUHHLEA-IINYFYTJSA-N 1 0 279.315 2.047 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000598649148 346393001 /nfs/dbraw/zinc/39/30/01/346393001.db2.gz WPUSZKJMHNKURK-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000598915464 346433760 /nfs/dbraw/zinc/43/37/60/346433760.db2.gz MGODWHCTMBFDAE-UHFFFAOYSA-N 1 0 280.328 2.104 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067243 346454767 /nfs/dbraw/zinc/45/47/67/346454767.db2.gz YEPVYUBANINLKD-GLQYFDAESA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599164706 346470809 /nfs/dbraw/zinc/47/08/09/346470809.db2.gz KEMUIQJSAVPRDQ-CYBMUJFWSA-N 1 0 290.367 2.149 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063192571 362755569 /nfs/dbraw/zinc/75/55/69/362755569.db2.gz HBNSQSNLCASPHO-FZMZJTMJSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1sc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000602600988 347095776 /nfs/dbraw/zinc/09/57/76/347095776.db2.gz XSURYZAOCYSPJA-MGCOHNPYSA-N 1 0 297.380 2.212 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599605434 346545274 /nfs/dbraw/zinc/54/52/74/346545274.db2.gz WCUZKAINVCJWJN-GHMZBOCLSA-N 1 0 292.339 2.165 20 5 CEBDRO C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600677256 346672074 /nfs/dbraw/zinc/67/20/74/346672074.db2.gz BPKMYUMWZICYSJ-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000600679466 346672954 /nfs/dbraw/zinc/67/29/54/346672954.db2.gz XAXQSAQNJADCMA-CQSZACIVSA-N 1 0 275.352 2.277 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000600951789 346715528 /nfs/dbraw/zinc/71/55/28/346715528.db2.gz NFAJBULLHMAXBQ-DTWKUNHWSA-N 1 0 293.352 2.152 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cn1 ZINC000600787974 346690629 /nfs/dbraw/zinc/69/06/29/346690629.db2.gz BCWOIKLOIPIXRV-UHFFFAOYSA-N 1 0 284.319 2.066 20 5 CEBDRO C[C@H](CCNc1ccnc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000601194041 346782771 /nfs/dbraw/zinc/78/27/71/346782771.db2.gz VRZVNKGIMORULJ-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO CC1([NH+]2CCCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000601216797 346792438 /nfs/dbraw/zinc/79/24/38/346792438.db2.gz QVCRICUVXSXJNX-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602707477 347162050 /nfs/dbraw/zinc/16/20/50/347162050.db2.gz JXVJFOBYVVNSGN-MQMHXKEQSA-N 1 0 264.325 2.294 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H](O)C(F)(F)F)cc1 ZINC000602658488 347127642 /nfs/dbraw/zinc/12/76/42/347127642.db2.gz YWKMKOGLFCAGLU-NSHDSACASA-N 1 0 292.257 2.040 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802040 347204899 /nfs/dbraw/zinc/20/48/99/347204899.db2.gz OLDDZYCZLJZUAU-GWCFXTLKSA-N 1 0 287.323 2.024 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000602803782 347206001 /nfs/dbraw/zinc/20/60/01/347206001.db2.gz DMMQGKDIEXVUBQ-JTQLQIEISA-N 1 0 290.323 2.156 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000602810700 347209183 /nfs/dbraw/zinc/20/91/83/347209183.db2.gz HDZYLZAYIXPROT-NSHDSACASA-N 1 0 296.371 2.035 20 5 CEBDRO COCC1(C2CC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602734479 347177384 /nfs/dbraw/zinc/17/73/84/347177384.db2.gz ZQDPAIBOOCOLLK-UHFFFAOYSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602742449 347182121 /nfs/dbraw/zinc/18/21/21/347182121.db2.gz YZVVUOVWNXCCBH-AWEZNQCLSA-N 1 0 264.325 2.332 20 5 CEBDRO CC(C)C[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602761307 347187925 /nfs/dbraw/zinc/18/79/25/347187925.db2.gz GUKSUGZVAAJSFA-UHFFFAOYSA-N 1 0 268.361 2.442 20 5 CEBDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602830989 347216413 /nfs/dbraw/zinc/21/64/13/347216413.db2.gz NOJIILJZTRIMPE-GXTWGEPZSA-N 1 0 278.352 2.494 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000602844664 347221675 /nfs/dbraw/zinc/22/16/75/347221675.db2.gz FTAVFLGSIPHYJY-DCAQKATOSA-N 1 0 266.345 2.076 20 5 CEBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602873200 347234183 /nfs/dbraw/zinc/23/41/83/347234183.db2.gz HTNYYDAXOGBFQQ-UHFFFAOYSA-N 1 0 254.334 2.220 20 5 CEBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602905391 347243301 /nfs/dbraw/zinc/24/33/01/347243301.db2.gz NRAKYULVSHDULP-CMPLNLGQSA-N 1 0 266.345 2.481 20 5 CEBDRO C[C@](CO)([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962518 347258676 /nfs/dbraw/zinc/25/86/76/347258676.db2.gz LNZHFBHXIKHACH-CQSZACIVSA-N 1 0 264.325 2.192 20 5 CEBDRO CC[C@](C)([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186565 347303260 /nfs/dbraw/zinc/30/32/60/347303260.db2.gz SLOXJVWTBRNJRQ-YGRLFVJLSA-N 1 0 289.339 2.380 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085987184 179212425 /nfs/dbraw/zinc/21/24/25/179212425.db2.gz BDADXZFAWPTFEI-HIFRSBDPSA-N 1 0 278.352 2.278 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220941 347313282 /nfs/dbraw/zinc/31/32/82/347313282.db2.gz XSCNVRISBZTMCQ-YGRLFVJLSA-N 1 0 289.339 2.451 20 5 CEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000603859541 347392381 /nfs/dbraw/zinc/39/23/81/347392381.db2.gz ANBZKXWYMSNNRP-VXGBXAGGSA-N 1 0 295.387 2.108 20 5 CEBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604551830 347422482 /nfs/dbraw/zinc/42/24/82/347422482.db2.gz FZMMOPYARAUTKW-SECBINFHSA-N 1 0 297.380 2.116 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000608909448 347624047 /nfs/dbraw/zinc/62/40/47/347624047.db2.gz QOWIOFQSWLPEEA-JTQLQIEISA-N 1 0 267.354 2.331 20 5 CEBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000609316868 347633990 /nfs/dbraw/zinc/63/39/90/347633990.db2.gz BCUOQDCFNKWLAS-UHFFFAOYSA-N 1 0 266.341 2.435 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000609547490 347642791 /nfs/dbraw/zinc/64/27/91/347642791.db2.gz HCVUGFRQNZLCBX-BXUZGUMPSA-N 1 0 291.351 2.256 20 5 CEBDRO Cc1cccc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610111984 347660684 /nfs/dbraw/zinc/66/06/84/347660684.db2.gz OYYAWDOJNKYRKK-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000610481342 347684040 /nfs/dbraw/zinc/68/40/40/347684040.db2.gz CTVNKPWOVJWSLG-SECBINFHSA-N 1 0 254.334 2.195 20 5 CEBDRO CCCC[N@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610664932 347699262 /nfs/dbraw/zinc/69/92/62/347699262.db2.gz GAFNNHBOCSVASZ-UHFFFAOYSA-N 1 0 254.334 2.222 20 5 CEBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CC1 ZINC000610666757 347700070 /nfs/dbraw/zinc/70/00/70/347700070.db2.gz MCQWYBVAYPGETK-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)n1 ZINC000610806577 347716099 /nfs/dbraw/zinc/71/60/99/347716099.db2.gz WJJYVLKQGYBOGG-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@@H]1[C@H](C)N(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000611298928 347765052 /nfs/dbraw/zinc/76/50/52/347765052.db2.gz CAZDFYBRJCPPLG-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611091744 347738560 /nfs/dbraw/zinc/73/85/60/347738560.db2.gz GMBBGESOPXYLRA-CYBMUJFWSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000611207262 347752148 /nfs/dbraw/zinc/75/21/48/347752148.db2.gz UTFYSCWGDZTCIW-IINYFYTJSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611222083 347753237 /nfs/dbraw/zinc/75/32/37/347753237.db2.gz ZCUFKNSQWIHMDA-QWRGUYRKSA-N 1 0 278.356 2.217 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611222084 347753339 /nfs/dbraw/zinc/75/33/39/347753339.db2.gz ZCUFKNSQWIHMDA-WDEREUQCSA-N 1 0 278.356 2.217 20 5 CEBDRO COc1cc(C[NH2+]CCOC(C)C)c([N+](=O)[O-])cc1OC ZINC000612593528 347905579 /nfs/dbraw/zinc/90/55/79/347905579.db2.gz SSQBTAKOYHVDGO-UHFFFAOYSA-N 1 0 298.339 2.127 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336889111 365935833 /nfs/dbraw/zinc/93/58/33/365935833.db2.gz FWYHMUQCRNIMIM-QMTHXVAHSA-N 1 0 282.315 2.375 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612745184 347922766 /nfs/dbraw/zinc/92/27/66/347922766.db2.gz BQUWPMVTCZLKAR-AWEZNQCLSA-N 1 0 291.307 2.083 20 5 CEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000339368539 215128453 /nfs/dbraw/zinc/12/84/53/215128453.db2.gz WIAHOHUAZDJLKU-SNVBAGLBSA-N 1 0 291.311 2.273 20 5 CEBDRO COC[C@H]1CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613380851 348036250 /nfs/dbraw/zinc/03/62/50/348036250.db2.gz SICVJIGSBITQSJ-LLVKDONJSA-N 1 0 298.314 2.353 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011382 179378908 /nfs/dbraw/zinc/37/89/08/179378908.db2.gz QXYKBWAEJGPLSD-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CC1 ZINC000615724005 348382370 /nfs/dbraw/zinc/38/23/70/348382370.db2.gz HHWVIMIVGFIBKG-GHXNOFRVSA-N 1 0 276.336 2.360 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000273428983 192147511 /nfs/dbraw/zinc/14/75/11/192147511.db2.gz KUQYLCCOMXDFDY-DZGCQCFKSA-N 1 0 275.352 2.087 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000450477695 282628436 /nfs/dbraw/zinc/62/84/36/282628436.db2.gz XOAZYPDSBSWXQU-UHFFFAOYSA-N 1 0 266.345 2.158 20 5 CEBDRO COC1(CO)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000618551757 348973286 /nfs/dbraw/zinc/97/32/86/348973286.db2.gz WANXBCXXVKEKHQ-GFCCVEGCSA-N 1 0 294.351 2.129 20 5 CEBDRO C[NH2+][C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000568865408 299161198 /nfs/dbraw/zinc/16/11/98/299161198.db2.gz JORNMZZKKLIDEM-ZBKLQPJUSA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000090720518 180030646 /nfs/dbraw/zinc/03/06/46/180030646.db2.gz PPUVXBIOLHYDPG-YPMHNXCESA-N 1 0 263.341 2.167 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H](CF)C2)cc1 ZINC000411856012 233290132 /nfs/dbraw/zinc/29/01/32/233290132.db2.gz QLOMKDJEKFTZLD-CYBMUJFWSA-N 1 0 268.288 2.155 20 5 CEBDRO CCc1nn(C)c(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000091561889 180192180 /nfs/dbraw/zinc/19/21/80/180192180.db2.gz QGKWVYOFEZCELX-LLVKDONJSA-N 1 0 295.387 2.035 20 5 CEBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101317 233340557 /nfs/dbraw/zinc/34/05/57/233340557.db2.gz YQNUUWZCTSSGJB-PWSUYJOCSA-N 1 0 282.315 2.327 20 5 CEBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000092225212 180346832 /nfs/dbraw/zinc/34/68/32/180346832.db2.gz YCNANRWNWCIUHV-ZDUSSCGKSA-N 1 0 289.339 2.269 20 5 CEBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000280020268 282696794 /nfs/dbraw/zinc/69/67/94/282696794.db2.gz HJVMUZFVQSTPSK-CQSZACIVSA-N 1 0 286.335 2.496 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000092395053 180377031 /nfs/dbraw/zinc/37/70/31/180377031.db2.gz HLDYRHUQOGCQHN-LLVKDONJSA-N 1 0 272.732 2.355 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCn2cccn2)C2CC2)cc1 ZINC000130595218 365972343 /nfs/dbraw/zinc/97/23/43/365972343.db2.gz HOCDVINMYANPNF-UHFFFAOYSA-N 1 0 286.335 2.456 20 5 CEBDRO CC[N@@H+]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000110006955 186282140 /nfs/dbraw/zinc/28/21/40/186282140.db2.gz WNJQDDGRRRKZLB-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000110647390 186309466 /nfs/dbraw/zinc/30/94/66/186309466.db2.gz UMYFETYBFDEBTE-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000109810742 186275471 /nfs/dbraw/zinc/27/54/71/186275471.db2.gz QQAAWLFELNEAML-LLVKDONJSA-N 1 0 269.370 2.182 20 5 CEBDRO Cc1c(C[NH2+]CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000111162540 186364420 /nfs/dbraw/zinc/36/44/20/186364420.db2.gz JOIDSQIHZDNHNF-UHFFFAOYSA-N 1 0 264.325 2.419 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070173261 363047408 /nfs/dbraw/zinc/04/74/08/363047408.db2.gz QQPNKTACXGNCOF-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO CCc1ccc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000070497805 363091334 /nfs/dbraw/zinc/09/13/34/363091334.db2.gz VWTFVUBONGJASS-LLVKDONJSA-N 1 0 250.298 2.146 20 5 CEBDRO [NH3+]CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000122909250 187058760 /nfs/dbraw/zinc/05/87/60/187058760.db2.gz VBCKLZNXEWDSQF-UHFFFAOYSA-N 1 0 263.297 2.052 20 5 CEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236365 187079900 /nfs/dbraw/zinc/07/99/00/187079900.db2.gz KMHRWUSBEHDOBJ-SMDDNHRTSA-N 1 0 280.324 2.051 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123256684 187080778 /nfs/dbraw/zinc/08/07/78/187080778.db2.gz STJANSNMICGKQO-AOOOYVTPSA-N 1 0 277.324 2.067 20 5 CEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123684080 187104283 /nfs/dbraw/zinc/10/42/83/187104283.db2.gz CQWCCLYYAWPQAZ-WCQYABFASA-N 1 0 291.351 2.150 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123883831 187113523 /nfs/dbraw/zinc/11/35/23/187113523.db2.gz POXBANQKOHYVHT-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000450853367 282802834 /nfs/dbraw/zinc/80/28/34/282802834.db2.gz BIWYTIKSJJUHEB-NSHDSACASA-N 1 0 295.387 2.040 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CCCC[NH3+] ZINC000292081263 198156187 /nfs/dbraw/zinc/15/61/87/198156187.db2.gz MGEYBBVWFIBESX-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292133808 198176077 /nfs/dbraw/zinc/17/60/77/198176077.db2.gz RUZODLKSBVIBSK-NSHDSACASA-N 1 0 293.367 2.405 20 5 CEBDRO CC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292143079 198180194 /nfs/dbraw/zinc/18/01/94/198180194.db2.gz MSLCVOOTADOBJI-SNVBAGLBSA-N 1 0 252.314 2.190 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000271623015 191246195 /nfs/dbraw/zinc/24/61/95/191246195.db2.gz XWHJPZYFYCNGHM-QWRGUYRKSA-N 1 0 252.318 2.054 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152653048 188034508 /nfs/dbraw/zinc/03/45/08/188034508.db2.gz WRBLERNRVNJKRS-DGCLKSJQSA-N 1 0 294.351 2.339 20 5 CEBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157827597 188341586 /nfs/dbraw/zinc/34/15/86/188341586.db2.gz MUGQGCGUEKBYAD-HNNXBMFYSA-N 1 0 294.351 2.222 20 5 CEBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158490825 188379176 /nfs/dbraw/zinc/37/91/76/188379176.db2.gz XASXRKIOFGSYTF-NSHDSACASA-N 1 0 293.367 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000292724981 198390321 /nfs/dbraw/zinc/39/03/21/198390321.db2.gz MGHAVIHYNWTHBB-CQSZACIVSA-N 1 0 276.336 2.474 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132071256 366115588 /nfs/dbraw/zinc/11/55/88/366115588.db2.gz PHUCAFVHMZNWKI-GFCCVEGCSA-N 1 0 250.298 2.124 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132405373 366141785 /nfs/dbraw/zinc/14/17/85/366141785.db2.gz NPRSZABAQJOIFI-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO C[NH+](C)CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000074195386 363306330 /nfs/dbraw/zinc/30/63/30/363306330.db2.gz IQSQXPUSCWXVQI-UHFFFAOYSA-N 1 0 291.351 2.216 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495244901 291028014 /nfs/dbraw/zinc/02/80/14/291028014.db2.gz YGGMHHFIUWKQKK-OAHLLOKOSA-N 1 0 294.351 2.211 20 5 CEBDRO C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553175 283032334 /nfs/dbraw/zinc/03/23/34/283032334.db2.gz XSFLUQPNQBVAEP-AAEUAGOBSA-N 1 0 264.325 2.155 20 5 CEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000074772786 363388152 /nfs/dbraw/zinc/38/81/52/363388152.db2.gz JSFVULGMNNWWSM-CYBMUJFWSA-N 1 0 290.367 2.158 20 5 CEBDRO CC(C)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000198159875 540229959 /nfs/dbraw/zinc/22/99/59/540229959.db2.gz DHJRVTYYJJMVRH-UHFFFAOYSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cn1 ZINC000273675101 192257594 /nfs/dbraw/zinc/25/75/94/192257594.db2.gz YHDIWJLJPFZEOD-LBPRGKRZSA-N 1 0 293.371 2.451 20 5 CEBDRO Cc1nn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000575430784 366285390 /nfs/dbraw/zinc/28/53/90/366285390.db2.gz KBTIOUBMNWEART-GHMZBOCLSA-N 1 0 266.345 2.078 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216637 299245248 /nfs/dbraw/zinc/24/52/48/299245248.db2.gz SAVBJLDBPQKTDU-DGCLKSJQSA-N 1 0 296.367 2.490 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134369505 366312411 /nfs/dbraw/zinc/31/24/11/366312411.db2.gz AMVHRDCDKVFPGB-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134701302 366352921 /nfs/dbraw/zinc/35/29/21/366352921.db2.gz HIJBXZFTZPGGPL-CYBMUJFWSA-N 1 0 252.314 2.010 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000134892668 366369484 /nfs/dbraw/zinc/36/94/84/366369484.db2.gz VLQUWNQIFWKINC-WDEREUQCSA-N 1 0 291.351 2.221 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428801 199036731 /nfs/dbraw/zinc/03/67/31/199036731.db2.gz URMGKHKYQXZCMA-BBBLOLIVSA-N 1 0 267.329 2.251 20 5 CEBDRO COc1cccc(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000135052804 366391069 /nfs/dbraw/zinc/39/10/69/366391069.db2.gz RDVOYGDORRNGMX-NSHDSACASA-N 1 0 279.340 2.405 20 5 CEBDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135239353 366414116 /nfs/dbraw/zinc/41/41/16/366414116.db2.gz DRRJZNUVSYVPRJ-CQSZACIVSA-N 1 0 279.340 2.006 20 5 CEBDRO CC(C)=CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578064674 366436512 /nfs/dbraw/zinc/43/65/12/366436512.db2.gz PIZRSJGCQPHBFC-CYBMUJFWSA-N 1 0 294.351 2.280 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000338688086 366469717 /nfs/dbraw/zinc/46/97/17/366469717.db2.gz AAXPFXGRPBHLKH-LBPRGKRZSA-N 1 0 291.351 2.185 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000136163740 366500188 /nfs/dbraw/zinc/50/01/88/366500188.db2.gz IZESVCBLGWLKNQ-CHWSQXEVSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1nc(NC[C@H]2CCCC[N@@H+]2C2CC2)ncc1[N+](=O)[O-] ZINC000296818925 200006860 /nfs/dbraw/zinc/00/68/60/200006860.db2.gz QRLNBODFICFEDE-GFCCVEGCSA-N 1 0 291.355 2.122 20 5 CEBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000297292699 200137733 /nfs/dbraw/zinc/13/77/33/200137733.db2.gz DFVVXRDXEFULAU-ZWNOBZJWSA-N 1 0 291.351 2.109 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148504734 366582574 /nfs/dbraw/zinc/58/25/74/366582574.db2.gz RGFZNEQDUWXOMA-SECBINFHSA-N 1 0 284.747 2.397 20 5 CEBDRO Cc1nn(C)c(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000339002146 366608889 /nfs/dbraw/zinc/60/88/89/366608889.db2.gz IDXPJBNBGZWVJE-GHMZBOCLSA-N 1 0 295.387 2.312 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571305642 299303186 /nfs/dbraw/zinc/30/31/86/299303186.db2.gz RBGNSOHUSJBUSY-CHWSQXEVSA-N 1 0 275.352 2.421 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453358628 283536103 /nfs/dbraw/zinc/53/61/03/283536103.db2.gz ONPZQFAYFGVMKA-NJZAAPMLSA-N 1 0 294.351 2.358 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081521839 363725299 /nfs/dbraw/zinc/72/52/99/363725299.db2.gz CBMVLYQOPBPEFD-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000178352162 189109239 /nfs/dbraw/zinc/10/92/39/189109239.db2.gz HPQPYPBIQLMYRG-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCOC1 ZINC000178358565 189109954 /nfs/dbraw/zinc/10/99/54/189109954.db2.gz YAHXMCDMLXWRSD-LLVKDONJSA-N 1 0 280.324 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275057923 192896705 /nfs/dbraw/zinc/89/67/05/192896705.db2.gz NZOJMAATBUMUMO-QMTHXVAHSA-N 1 0 282.315 2.375 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089812 216215606 /nfs/dbraw/zinc/21/56/06/216215606.db2.gz BMGDTWAXPKMNHR-COPLHBTASA-N 1 0 293.342 2.293 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCC1 ZINC000342138689 216234256 /nfs/dbraw/zinc/23/42/56/216234256.db2.gz NPAPAGXSMGBTTP-UHFFFAOYSA-N 1 0 293.367 2.353 20 5 CEBDRO CC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000179873348 189225153 /nfs/dbraw/zinc/22/51/53/189225153.db2.gz AYXVXGJEVWJFFX-OAHLLOKOSA-N 1 0 291.351 2.085 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427374 189254546 /nfs/dbraw/zinc/25/45/46/189254546.db2.gz NLIWOQSQKJZYPY-QWRGUYRKSA-N 1 0 279.340 2.160 20 5 CEBDRO CCOc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301496549 201029968 /nfs/dbraw/zinc/02/99/68/201029968.db2.gz BFRHMJPGSHFPQL-LBPRGKRZSA-N 1 0 279.340 2.134 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153895251 366742582 /nfs/dbraw/zinc/74/25/82/366742582.db2.gz KAHWIJJEAJPZHC-AWEZNQCLSA-N 1 0 280.299 2.346 20 5 CEBDRO C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000342362422 216325453 /nfs/dbraw/zinc/32/54/53/216325453.db2.gz SZJDTFAGJCESNR-GWCFXTLKSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000342362423 216324494 /nfs/dbraw/zinc/32/44/94/216324494.db2.gz SZJDTFAGJCESNR-GXFFZTMASA-N 1 0 292.339 2.199 20 5 CEBDRO CNC(=O)[C@H]1CCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154789255 366789618 /nfs/dbraw/zinc/78/96/18/366789618.db2.gz FJANVQWVKQQACX-CYBMUJFWSA-N 1 0 291.351 2.004 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000581535369 366791305 /nfs/dbraw/zinc/79/13/05/366791305.db2.gz YKLQJZPJUPDAOL-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340204991 366803106 /nfs/dbraw/zinc/80/31/06/366803106.db2.gz RJVXRUCVYLZTKF-CHWSQXEVSA-N 1 0 281.381 2.077 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCNC(=O)C(C)C ZINC000183399220 189358175 /nfs/dbraw/zinc/35/81/75/189358175.db2.gz OCYUYWKTNGRVRT-UHFFFAOYSA-N 1 0 293.367 2.107 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000085635242 363836246 /nfs/dbraw/zinc/83/62/46/363836246.db2.gz FOSKLOPUSMGQPL-MJBXVCDLSA-N 1 0 276.336 2.498 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000088147783 363879106 /nfs/dbraw/zinc/87/91/06/363879106.db2.gz SVNIZFWZYJKNOF-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000089518807 363976409 /nfs/dbraw/zinc/97/64/09/363976409.db2.gz XWDUIVLLBUFORB-SECBINFHSA-N 1 0 276.296 2.180 20 5 CEBDRO CCOc1cc(NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000092623043 364089182 /nfs/dbraw/zinc/08/91/82/364089182.db2.gz BINFJVAINFJLLT-LBPRGKRZSA-N 1 0 279.340 2.500 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000094371412 364271301 /nfs/dbraw/zinc/27/13/01/364271301.db2.gz VOYKYMSEIRQPND-HIFRSBDPSA-N 1 0 292.335 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(NCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000094772172 364293566 /nfs/dbraw/zinc/29/35/66/364293566.db2.gz XMGJLALZHGLPLC-SNVBAGLBSA-N 1 0 289.339 2.273 20 5 CEBDRO C[C@@H](CCCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000094943893 364310765 /nfs/dbraw/zinc/31/07/65/364310765.db2.gz IKCFLRMBQNPJIY-VIFPVBQESA-N 1 0 272.732 2.499 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793724 364844959 /nfs/dbraw/zinc/84/49/59/364844959.db2.gz NLQOKHYBXLKJCI-JQWIXIFHSA-N 1 0 250.298 2.424 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000572212313 299352537 /nfs/dbraw/zinc/35/25/37/299352537.db2.gz QHADFEJDCVNZGT-YPMHNXCESA-N 1 0 276.340 2.053 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000572212312 299352939 /nfs/dbraw/zinc/35/29/39/299352939.db2.gz QHADFEJDCVNZGT-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275494770 193057112 /nfs/dbraw/zinc/05/71/12/193057112.db2.gz QCVQROBUZXCVBF-CYBMUJFWSA-N 1 0 264.325 2.188 20 5 CEBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537078 193070795 /nfs/dbraw/zinc/07/07/95/193070795.db2.gz YBCNVEGAHNSOQS-CYBMUJFWSA-N 1 0 264.325 2.188 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000572333710 299358791 /nfs/dbraw/zinc/35/87/91/299358791.db2.gz WVLYLQPZPHYDQG-DOMZBBRYSA-N 1 0 298.346 2.283 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000582840231 366964761 /nfs/dbraw/zinc/96/47/61/366964761.db2.gz PQAKLYRLZCNBKF-CYBMUJFWSA-N 1 0 272.308 2.176 20 5 CEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000161430952 367086622 /nfs/dbraw/zinc/08/66/22/367086622.db2.gz NDYCOAVLOYXGDY-AAEUAGOBSA-N 1 0 266.345 2.350 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCCC1 ZINC000161489586 367091069 /nfs/dbraw/zinc/09/10/69/367091069.db2.gz WFEFAJDAUSYPSF-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000162840188 367194765 /nfs/dbraw/zinc/19/47/65/367194765.db2.gz DVGWVEIXVTUUPD-YPMHNXCESA-N 1 0 291.351 2.223 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000171377901 367531454 /nfs/dbraw/zinc/53/14/54/367531454.db2.gz BWFBAFVDZSDMNQ-CYBMUJFWSA-N 1 0 292.335 2.180 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000174639583 368050711 /nfs/dbraw/zinc/05/07/11/368050711.db2.gz YMIAZFOXRWMHLK-UHFFFAOYSA-N 1 0 299.396 2.426 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000174863790 368074636 /nfs/dbraw/zinc/07/46/36/368074636.db2.gz GXSPNNQSAJVEPX-NSHDSACASA-N 1 0 254.334 2.158 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C)C ZINC000175584545 368152990 /nfs/dbraw/zinc/15/29/90/368152990.db2.gz HYSXBDXLRYUDPN-UHFFFAOYSA-N 1 0 279.340 2.490 20 5 CEBDRO CCCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816350 368497576 /nfs/dbraw/zinc/49/75/76/368497576.db2.gz HKCCOIKZIKTUFH-GFCCVEGCSA-N 1 0 293.367 2.470 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000182708542 368582875 /nfs/dbraw/zinc/58/28/75/368582875.db2.gz QVYZNLGOWLAWRS-GFCCVEGCSA-N 1 0 293.367 2.315 20 5 CEBDRO Cc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681199 368767757 /nfs/dbraw/zinc/76/77/57/368767757.db2.gz OOZIJMBPJGEXBO-AAEUAGOBSA-N 1 0 263.341 2.072 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000348146311 368919530 /nfs/dbraw/zinc/91/95/30/368919530.db2.gz USYAVVIRBBDAGN-OLZOCXBDSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1nc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348346893 369010960 /nfs/dbraw/zinc/01/09/60/369010960.db2.gz CSZOOLVCRACCRU-TXEJJXNPSA-N 1 0 292.383 2.395 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(CO)CC1 ZINC000186976295 369079768 /nfs/dbraw/zinc/07/97/68/369079768.db2.gz VNOIENXQSKGHPM-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000348543027 369080543 /nfs/dbraw/zinc/08/05/43/369080543.db2.gz FCXKKBRMFLHYIR-OAHLLOKOSA-N 1 0 277.368 2.367 20 5 CEBDRO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000348834865 369172862 /nfs/dbraw/zinc/17/28/62/369172862.db2.gz QZMTXNYTQOPPAM-LLVKDONJSA-N 1 0 252.314 2.370 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000330851296 203312407 /nfs/dbraw/zinc/31/24/07/203312407.db2.gz PZFFHBPRADMGFC-LBPRGKRZSA-N 1 0 264.329 2.079 20 5 CEBDRO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000350077789 369499488 /nfs/dbraw/zinc/49/94/88/369499488.db2.gz LINCXLTUJZFWLB-ALCCZGGFSA-N 1 0 264.325 2.311 20 5 CEBDRO CCCCOC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350126240 369511286 /nfs/dbraw/zinc/51/12/86/369511286.db2.gz QIZZTZBTGRKOFO-UHFFFAOYSA-N 1 0 296.371 2.072 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000190050750 369592533 /nfs/dbraw/zinc/59/25/33/369592533.db2.gz WFJMYKIVDPJDQM-NBOVPLECSA-N 1 0 276.336 2.311 20 5 CEBDRO C[NH+](C)C(C)(C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352357511 369688931 /nfs/dbraw/zinc/68/89/31/369688931.db2.gz RNIJWPAXAPDQFL-UHFFFAOYSA-N 1 0 288.351 2.317 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000191266887 369695176 /nfs/dbraw/zinc/69/51/76/369695176.db2.gz DXCUYGHABZAGOA-BVUQATHDSA-N 1 0 264.325 2.329 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191284771 369698268 /nfs/dbraw/zinc/69/82/68/369698268.db2.gz LETHTTKMEPVOJE-FUNVUKJBSA-N 1 0 294.351 2.207 20 5 CEBDRO C[C@@H]([NH2+]CCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524254 193367320 /nfs/dbraw/zinc/36/73/20/193367320.db2.gz CMHOLGPGGIOVBP-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352519308 369769562 /nfs/dbraw/zinc/76/95/62/369769562.db2.gz NPNXSRYBZAGKPZ-NSHDSACASA-N 1 0 281.331 2.437 20 5 CEBDRO CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])OCCCO1 ZINC000192251089 369787035 /nfs/dbraw/zinc/78/70/35/369787035.db2.gz CEUJNINMGSLTNK-QPJJXVBHSA-N 1 0 292.335 2.351 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352702374 369844892 /nfs/dbraw/zinc/84/48/92/369844892.db2.gz XRCBSOXIGFPXTO-UONOGXRCSA-N 1 0 294.351 2.339 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352702373 369845928 /nfs/dbraw/zinc/84/59/28/369845928.db2.gz XRCBSOXIGFPXTO-KGLIPLIRSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@H](CO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192724361 369846158 /nfs/dbraw/zinc/84/61/58/369846158.db2.gz ZQWWANXWVHSXJG-HZMBPMFUSA-N 1 0 264.325 2.190 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)C(C)C ZINC000353091832 370014889 /nfs/dbraw/zinc/01/48/89/370014889.db2.gz IQJRFCXKPKMGON-AWEZNQCLSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000194802359 370075620 /nfs/dbraw/zinc/07/56/20/370075620.db2.gz RWDXEHGUQHYDIT-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195249939 370119411 /nfs/dbraw/zinc/11/94/11/370119411.db2.gz NROFDXXBQIBGMY-UHFFFAOYSA-N 1 0 297.380 2.118 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000195308454 370124155 /nfs/dbraw/zinc/12/41/55/370124155.db2.gz UXJNWETVRLUZRT-UHFFFAOYSA-N 1 0 289.335 2.408 20 5 CEBDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988499 370215392 /nfs/dbraw/zinc/21/53/92/370215392.db2.gz AYTAAHMLEJYUJT-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000227306802 370365924 /nfs/dbraw/zinc/36/59/24/370365924.db2.gz BWWZPXNWSSTAFW-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000354352933 370328386 /nfs/dbraw/zinc/32/83/86/370328386.db2.gz KCZIRUQLBMTKHL-NEPJUHHUSA-N 1 0 278.356 2.299 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCSC1 ZINC000226378615 370338881 /nfs/dbraw/zinc/33/88/81/370338881.db2.gz LRILKAHVWFTIGV-JTQLQIEISA-N 1 0 282.365 2.446 20 5 CEBDRO Cc1c(CNC(=O)[C@@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231855999 370496202 /nfs/dbraw/zinc/49/62/02/370496202.db2.gz DGTXRUHNJQVSJH-ZDUSSCGKSA-N 1 0 291.351 2.052 20 5 CEBDRO Cc1c(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000231856334 370496254 /nfs/dbraw/zinc/49/62/54/370496254.db2.gz LQZYGLQLHSDAHQ-DGCLKSJQSA-N 1 0 291.351 2.037 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000234889284 370547150 /nfs/dbraw/zinc/54/71/50/370547150.db2.gz JYBJRLKIBFCKEN-QMTHXVAHSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000235761963 370577217 /nfs/dbraw/zinc/57/72/17/370577217.db2.gz XGDBJBXTXYXNAJ-LBPRGKRZSA-N 1 0 278.356 2.488 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236835064 370636758 /nfs/dbraw/zinc/63/67/58/370636758.db2.gz YYVZOAWRPBHMMN-CYBMUJFWSA-N 1 0 299.758 2.351 20 5 CEBDRO CC[C@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331690193 204077832 /nfs/dbraw/zinc/07/78/32/204077832.db2.gz WWYUIADKKNCKJC-NSHDSACASA-N 1 0 266.345 2.483 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358785872 371219329 /nfs/dbraw/zinc/21/93/29/371219329.db2.gz ALJDKBOQLUAORI-JTQLQIEISA-N 1 0 276.296 2.048 20 5 CEBDRO CO[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251508437 371404057 /nfs/dbraw/zinc/40/40/57/371404057.db2.gz BZQLIMIQRMIUQC-SWLSCSKDSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000251687394 371412690 /nfs/dbraw/zinc/41/26/90/371412690.db2.gz IDVRTPHAKKEKPR-YPMHNXCESA-N 1 0 293.342 2.402 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])nc(C)n2CC)C1 ZINC000360950187 371557616 /nfs/dbraw/zinc/55/76/16/371557616.db2.gz ZCOVYKXSDJCOJT-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H](C)O ZINC000361045618 371617440 /nfs/dbraw/zinc/61/74/40/371617440.db2.gz YDYIWQZSBVTHIS-QWRGUYRKSA-N 1 0 282.340 2.243 20 5 CEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000360986575 371583971 /nfs/dbraw/zinc/58/39/71/371583971.db2.gz UNUHJDVXNDHEEQ-LBPRGKRZSA-N 1 0 278.356 2.158 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[N@H+](C)C1CC1 ZINC000361006845 371594437 /nfs/dbraw/zinc/59/44/37/371594437.db2.gz MEAZZUUCQAZGBL-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000261910592 371768110 /nfs/dbraw/zinc/76/81/10/371768110.db2.gz ZQCWFEXUZMYEMB-JARNTUPDSA-N 1 0 288.307 2.299 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000361353294 371801778 /nfs/dbraw/zinc/80/17/78/371801778.db2.gz BCXOJBURESIMLJ-GFCCVEGCSA-N 1 0 250.298 2.124 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CC[NH2+]C1 ZINC000262037034 371807877 /nfs/dbraw/zinc/80/78/77/371807877.db2.gz ORGRRRRXJUKIQI-AWEZNQCLSA-N 1 0 263.341 2.026 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)cs1 ZINC000268301199 372091638 /nfs/dbraw/zinc/09/16/38/372091638.db2.gz YHIMSXSFOPYZPN-HOMQSWHASA-N 1 0 270.354 2.297 20 5 CEBDRO Cc1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000361844784 372095175 /nfs/dbraw/zinc/09/51/75/372095175.db2.gz XPVRRRYZJVGAFF-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000362021445 372174859 /nfs/dbraw/zinc/17/48/59/372174859.db2.gz ZBNQMKOLADELEF-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268533351 372129049 /nfs/dbraw/zinc/12/90/49/372129049.db2.gz XSCGYYOPIREENO-JTQLQIEISA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268921120 372287610 /nfs/dbraw/zinc/28/76/10/372287610.db2.gz WTDOAGQFGSWITL-KOLCDFICSA-N 1 0 252.314 2.325 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362365568 372333160 /nfs/dbraw/zinc/33/31/60/372333160.db2.gz OTDRFHDOCKKRSV-ZYHUDNBSSA-N 1 0 277.324 2.039 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775645 372562061 /nfs/dbraw/zinc/56/20/61/372562061.db2.gz DIPIRQVDAOQHRM-TZMCWYRMSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000269911227 372596796 /nfs/dbraw/zinc/59/67/96/372596796.db2.gz IIBHBMMBRXOFGJ-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)c1 ZINC000270501734 372815626 /nfs/dbraw/zinc/81/56/26/372815626.db2.gz WILQOYGPKPBSQK-TXEJJXNPSA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ncc[nH]1 ZINC000272138173 373324684 /nfs/dbraw/zinc/32/46/84/373324684.db2.gz BFUGRYNERQRJAF-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055343 217399479 /nfs/dbraw/zinc/39/94/79/217399479.db2.gz YQKGEWCTNXFIKS-DMDPSCGWSA-N 1 0 262.309 2.182 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000370298761 373628022 /nfs/dbraw/zinc/62/80/22/373628022.db2.gz QHMHTBNPTANXFO-SWLSCSKDSA-N 1 0 292.335 2.084 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274122345 373819025 /nfs/dbraw/zinc/81/90/25/373819025.db2.gz XEHFCCCRSHEDBS-WDEREUQCSA-N 1 0 280.324 2.272 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998694 374120395 /nfs/dbraw/zinc/12/03/95/374120395.db2.gz GAIWUEYRQQDBLV-WFASDCNBSA-N 1 0 277.368 2.367 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373489114 374365633 /nfs/dbraw/zinc/36/56/33/374365633.db2.gz JLAXIRMOGRQOQN-ZIAGYGMSSA-N 1 0 262.309 2.348 20 5 CEBDRO COc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000276942080 374352644 /nfs/dbraw/zinc/35/26/44/374352644.db2.gz HFXGESYLRMSSKZ-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cc1c(CN2CC[C@@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254730 374454175 /nfs/dbraw/zinc/45/41/75/374454175.db2.gz QLWYBMOAFVREON-BIBXISHDSA-N 1 0 296.392 2.246 20 5 CEBDRO Cc1c(CN2CC[C@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254738 374454429 /nfs/dbraw/zinc/45/44/29/374454429.db2.gz QLWYBMOAFVREON-YBTHPKLGSA-N 1 0 296.392 2.246 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000250885769 189968825 /nfs/dbraw/zinc/96/88/25/189968825.db2.gz HFGUNMIQTPGRQQ-GHMZBOCLSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000376487941 374707433 /nfs/dbraw/zinc/70/74/33/374707433.db2.gz ZIXKROWDRCJMFM-DOMZBBRYSA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000376756288 374729785 /nfs/dbraw/zinc/72/97/85/374729785.db2.gz CJWNSGWUWOBLNZ-DOMZBBRYSA-N 1 0 293.342 2.260 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278521445 374829851 /nfs/dbraw/zinc/82/98/51/374829851.db2.gz SLAXPUSNYILGPD-UHFFFAOYSA-N 1 0 289.339 2.002 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278362232 374792598 /nfs/dbraw/zinc/79/25/98/374792598.db2.gz KHEUGYJNRUIJNY-JTQLQIEISA-N 1 0 278.356 2.315 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000382410164 375184753 /nfs/dbraw/zinc/18/47/53/375184753.db2.gz DGTDOMQTSDSYLZ-HTQZYQBOSA-N 1 0 293.352 2.281 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000378528390 375123148 /nfs/dbraw/zinc/12/31/48/375123148.db2.gz SYTJIRZAQFIDCS-HOCLYGCPSA-N 1 0 289.379 2.429 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000384739220 375215161 /nfs/dbraw/zinc/21/51/61/375215161.db2.gz WTENUFISRAXADQ-WSROAFLRSA-N 1 0 291.351 2.098 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000386246786 375255199 /nfs/dbraw/zinc/25/51/99/375255199.db2.gz IPZPCVZSBHGLSZ-OLZOCXBDSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311353 375454659 /nfs/dbraw/zinc/45/46/59/375454659.db2.gz MZNFXTGRUUFONX-PRWKNARSSA-N 1 0 296.392 2.465 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000408437191 375482152 /nfs/dbraw/zinc/48/21/52/375482152.db2.gz QKDBTCMUTJYQGZ-QWRGUYRKSA-N 1 0 266.345 2.196 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000283155256 375666260 /nfs/dbraw/zinc/66/62/60/375666260.db2.gz OSRUGBMJGVSUIC-NXEZZACHSA-N 1 0 298.314 2.411 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414535672 375841670 /nfs/dbraw/zinc/84/16/70/375841670.db2.gz WQKDHPJUEXPQBC-ZIAGYGMSSA-N 1 0 266.341 2.480 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000414657986 375904014 /nfs/dbraw/zinc/90/40/14/375904014.db2.gz KWDQDMDDERXNQU-GXFFZTMASA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414659874 375906402 /nfs/dbraw/zinc/90/64/02/375906402.db2.gz NMFFJMWJDVYAOA-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1c(NC(=O)N[C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414716598 375937938 /nfs/dbraw/zinc/93/79/38/375937938.db2.gz XCUCWRWOHGZELE-CQSZACIVSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1c(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414716628 375937975 /nfs/dbraw/zinc/93/79/75/375937975.db2.gz XHZBXVYNDMQSGZ-KOLCDFICSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000414718784 375938644 /nfs/dbraw/zinc/93/86/44/375938644.db2.gz ZQMKSYPCLFQZRH-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH3+])C1 ZINC000346100335 217801101 /nfs/dbraw/zinc/80/11/01/217801101.db2.gz SFSZGNYAPVBMCN-CYBMUJFWSA-N 1 0 293.367 2.305 20 5 CEBDRO CCCC[C@@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414818128 376004074 /nfs/dbraw/zinc/00/40/74/376004074.db2.gz UUWJOZXCWFTLGJ-JTQLQIEISA-N 1 0 257.359 2.263 20 5 CEBDRO CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286587386 376005193 /nfs/dbraw/zinc/00/51/93/376005193.db2.gz QNSIFOZTVCGOMS-ZDUSSCGKSA-N 1 0 277.368 2.163 20 5 CEBDRO CN(CCC[NH+]1CCCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000287677816 376291925 /nfs/dbraw/zinc/29/19/25/376291925.db2.gz JHBABLFIHVTBBY-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC1(C)C ZINC000419309682 376440302 /nfs/dbraw/zinc/44/03/02/376440302.db2.gz CBCXXLLVYXPWGE-CHWSQXEVSA-N 1 0 293.367 2.171 20 5 CEBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000305744347 376468756 /nfs/dbraw/zinc/46/87/56/376468756.db2.gz UNXSJHBZXZBHDB-HZMBPMFUSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ncsc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289919072 376560498 /nfs/dbraw/zinc/56/04/98/376560498.db2.gz VNVINYAISDSKOX-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000556958202 376527105 /nfs/dbraw/zinc/52/71/05/376527105.db2.gz FENDFGBAOAHLBN-ZDUSSCGKSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000289883340 376543782 /nfs/dbraw/zinc/54/37/82/376543782.db2.gz PUNKCQITHNRGJH-UHFFFAOYSA-N 1 0 278.337 2.087 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802944 376687514 /nfs/dbraw/zinc/68/75/14/376687514.db2.gz BWIFCRROURCOFI-CYBMUJFWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCOC1 ZINC000311841531 376688980 /nfs/dbraw/zinc/68/89/80/376688980.db2.gz GZROEEYPVZNBSS-ZDUSSCGKSA-N 1 0 268.288 2.393 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1C ZINC000421003999 376778231 /nfs/dbraw/zinc/77/82/31/376778231.db2.gz NRSANWFUANUTRN-AWEZNQCLSA-N 1 0 263.341 2.121 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000560612587 376767811 /nfs/dbraw/zinc/76/78/11/376767811.db2.gz YAFVMZQULSKFPV-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO Cc1n[nH]cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561763459 376827107 /nfs/dbraw/zinc/82/71/07/376827107.db2.gz HAGRQUPUMCZSJR-UHFFFAOYSA-N 1 0 299.334 2.440 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000290629917 376857235 /nfs/dbraw/zinc/85/72/35/376857235.db2.gz MMTCHOQMZLGAKJ-JTQLQIEISA-N 1 0 266.345 2.319 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000290783469 376924029 /nfs/dbraw/zinc/92/40/29/376924029.db2.gz WQIHLSCOBVDDBL-SNVBAGLBSA-N 1 0 252.318 2.130 20 5 CEBDRO C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000423017018 376931150 /nfs/dbraw/zinc/93/11/50/376931150.db2.gz NUJQJKYBSOASLB-DMDPSCGWSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1cc(N2CCC3(CC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000562955347 377033924 /nfs/dbraw/zinc/03/39/24/377033924.db2.gz ZMNPZEXPEDQORV-UHFFFAOYSA-N 1 0 261.325 2.236 20 5 CEBDRO C[NH2+]CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423208090 377124266 /nfs/dbraw/zinc/12/42/66/377124266.db2.gz YUYFGRDLTNFXJY-LLVKDONJSA-N 1 0 251.330 2.163 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000330434274 377130147 /nfs/dbraw/zinc/13/01/47/377130147.db2.gz PRAOWLUSTDOQCK-LBPRGKRZSA-N 1 0 291.351 2.039 20 5 CEBDRO CC[NH2+]CCN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423250955 377170325 /nfs/dbraw/zinc/17/03/25/377170325.db2.gz VCTDREMYJVHZSJ-AWEZNQCLSA-N 1 0 277.368 2.115 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256139 377177141 /nfs/dbraw/zinc/17/71/41/377177141.db2.gz BHVJBDUGEIQBOO-NWDGAFQWSA-N 1 0 295.383 2.500 20 5 CEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568202 377188377 /nfs/dbraw/zinc/18/83/77/377188377.db2.gz LQERCGQXUWHGKZ-CYZMBNFOSA-N 1 0 291.351 2.160 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000563421687 377218537 /nfs/dbraw/zinc/21/85/37/377218537.db2.gz PWSWGWOGUNYWHE-GHMZBOCLSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264846328 190138701 /nfs/dbraw/zinc/13/87/01/190138701.db2.gz BGOWHXAXWHPAAT-IDVQTMNDSA-N 1 0 291.351 2.064 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000563686618 377274858 /nfs/dbraw/zinc/27/48/58/377274858.db2.gz DREZQZXFMDQCLS-AWEZNQCLSA-N 1 0 276.336 2.474 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264945472 190146644 /nfs/dbraw/zinc/14/66/44/190146644.db2.gz JKRPYVFOCMBDHF-SNVBAGLBSA-N 1 0 267.304 2.122 20 5 CEBDRO C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354653 377532281 /nfs/dbraw/zinc/53/22/81/377532281.db2.gz HCLCFENMCGZTNZ-VXGBXAGGSA-N 1 0 265.357 2.443 20 5 CEBDRO C[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000293354641 377533398 /nfs/dbraw/zinc/53/33/98/377533398.db2.gz HCLCFENMCGZTNZ-NWDGAFQWSA-N 1 0 265.357 2.443 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000293481257 377585950 /nfs/dbraw/zinc/58/59/50/377585950.db2.gz REPKRMDWILFOEM-GFCCVEGCSA-N 1 0 293.367 2.161 20 5 CEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000313864246 249399616 /nfs/dbraw/zinc/39/96/16/249399616.db2.gz WYXMIUVRCSPKAR-QMTHXVAHSA-N 1 0 292.339 2.043 20 5 CEBDRO COC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265848601 190212568 /nfs/dbraw/zinc/21/25/68/190212568.db2.gz YFDXHFBXDDTQFY-CYBMUJFWSA-N 1 0 264.325 2.106 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000293784947 377756209 /nfs/dbraw/zinc/75/62/09/377756209.db2.gz QGPJEDSARBBLEL-LBPRGKRZSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000443519185 378057686 /nfs/dbraw/zinc/05/76/86/378057686.db2.gz NXQKCCQVSKMWSU-VHSXEESVSA-N 1 0 284.385 2.360 20 5 CEBDRO COCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544360 378114991 /nfs/dbraw/zinc/11/49/91/378114991.db2.gz UQJCHRDJKDALJR-CHWSQXEVSA-N 1 0 296.371 2.291 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450314724 378352049 /nfs/dbraw/zinc/35/20/49/378352049.db2.gz CMWOMYCVZBVHKP-NSHDSACASA-N 1 0 291.355 2.122 20 5 CEBDRO CS[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296080256 378412597 /nfs/dbraw/zinc/41/25/97/378412597.db2.gz CKRGUFMOEXGQMG-ZDUSSCGKSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296204896 378452561 /nfs/dbraw/zinc/45/25/61/378452561.db2.gz FOCZCXAXQISYFF-NEPJUHHUSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000296149797 378434041 /nfs/dbraw/zinc/43/40/41/378434041.db2.gz XVDXKSVHNDNLRO-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298436956 378727544 /nfs/dbraw/zinc/72/75/44/378727544.db2.gz BFKYFUKSUIRUPM-UHFFFAOYSA-N 1 0 292.383 2.033 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000266200101 190239672 /nfs/dbraw/zinc/23/96/72/190239672.db2.gz JEQZWUIGWOYTRR-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000346801274 218019530 /nfs/dbraw/zinc/01/95/30/218019530.db2.gz SBAGUYPIAKECRR-SECBINFHSA-N 1 0 288.307 2.250 20 5 CEBDRO C[C@H](Cc1cnccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000453113505 378807536 /nfs/dbraw/zinc/80/75/36/378807536.db2.gz DXYDPBWYQRWLEF-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000453175155 378822987 /nfs/dbraw/zinc/82/29/87/378822987.db2.gz LOMLZWQGQHIYRC-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000453627373 378926434 /nfs/dbraw/zinc/92/64/34/378926434.db2.gz VLPOKEUOUNYFBM-UHFFFAOYSA-N 1 0 293.367 2.361 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000513488220 379128312 /nfs/dbraw/zinc/12/83/12/379128312.db2.gz RAUSRQWJGHEHKH-MQMHXKEQSA-N 1 0 294.351 2.387 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301071435 379185691 /nfs/dbraw/zinc/18/56/91/379185691.db2.gz FNTXVNRJWFKYAR-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000515031276 379176883 /nfs/dbraw/zinc/17/68/83/379176883.db2.gz GDIIIIGUFKCRRD-YWPYICTPSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1ccnc(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000301273034 379241879 /nfs/dbraw/zinc/24/18/79/379241879.db2.gz IDVYIJAPMDKMOM-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO Cc1nn(C)c(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301282076 379243939 /nfs/dbraw/zinc/24/39/39/379243939.db2.gz MYQJDRAVKPVLIO-MNOVXSKESA-N 1 0 295.387 2.169 20 5 CEBDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000266745090 190278387 /nfs/dbraw/zinc/27/83/87/190278387.db2.gz AMFOLEHGKKAAPQ-WCQYABFASA-N 1 0 291.351 2.255 20 5 CEBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000267084578 190302403 /nfs/dbraw/zinc/30/24/03/190302403.db2.gz LBSRCAZPCMXRKH-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO Cc1ccnc(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267032407 190298317 /nfs/dbraw/zinc/29/83/17/190298317.db2.gz BGQNJPMSSAWREK-CYBMUJFWSA-N 1 0 296.396 2.147 20 5 CEBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457177211 379701467 /nfs/dbraw/zinc/70/14/67/379701467.db2.gz OLPDJDZJRBIKAU-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000305196612 379681886 /nfs/dbraw/zinc/68/18/86/379681886.db2.gz UEPWWFKVPVGNSG-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000267355476 190323670 /nfs/dbraw/zinc/32/36/70/190323670.db2.gz BSHXMXHPRBKQPZ-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO C[C@@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267743681 190351682 /nfs/dbraw/zinc/35/16/82/190351682.db2.gz COVMVLAAMIXJHB-VXGBXAGGSA-N 1 0 291.351 2.145 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(C)CCCC1 ZINC000489891086 380220606 /nfs/dbraw/zinc/22/06/06/380220606.db2.gz PEIVEFIYBMHXOU-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279086344 194278114 /nfs/dbraw/zinc/27/81/14/194278114.db2.gz ORUOTVPOCZMUMS-UKRRQHHQSA-N 1 0 294.351 2.187 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000548486750 380526420 /nfs/dbraw/zinc/52/64/20/380526420.db2.gz CDPHXCNDDKTJBO-NSHDSACASA-N 1 0 279.340 2.032 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000492814659 380698270 /nfs/dbraw/zinc/69/82/70/380698270.db2.gz BHZZYUBVUYBRIS-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000344445757 285124304 /nfs/dbraw/zinc/12/43/04/285124304.db2.gz YZNHGZPLUSJAAK-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000072089587 285128335 /nfs/dbraw/zinc/12/83/35/285128335.db2.gz DJVRHLOOHUBXNQ-CQSZACIVSA-N 1 0 261.325 2.269 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000072089523 285130279 /nfs/dbraw/zinc/13/02/79/285130279.db2.gz QGAIZUXMLLIKIJ-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000350312447 219007004 /nfs/dbraw/zinc/00/70/04/219007004.db2.gz QSKWTWFAIRFMCO-UHFFFAOYSA-N 1 0 290.298 2.165 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000094771846 285141430 /nfs/dbraw/zinc/14/14/30/285141430.db2.gz AJMMPXYKUAVMKI-VIFPVBQESA-N 1 0 287.323 2.120 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261631068 285155180 /nfs/dbraw/zinc/15/51/80/285155180.db2.gz VWAOQLGJPZQBMS-ZJUUUORDSA-N 1 0 281.743 2.294 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000282286453 285182436 /nfs/dbraw/zinc/18/24/36/285182436.db2.gz VZSNNWJAUVNOMI-DTWKUNHWSA-N 1 0 268.342 2.090 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000287539459 196878937 /nfs/dbraw/zinc/87/89/37/196878937.db2.gz VXBSTRWZXUGITI-SNVBAGLBSA-N 1 0 267.304 2.122 20 5 CEBDRO CSC1(CNc2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC000357588016 533512555 /nfs/dbraw/zinc/51/25/55/533512555.db2.gz WEABRKFDARXMFF-UHFFFAOYSA-N 1 0 296.396 2.229 20 5 CEBDRO CCN(CCC[NH+](C)C)c1nccc(C)c1[N+](=O)[O-] ZINC000190288758 130085791 /nfs/dbraw/zinc/08/57/91/130085791.db2.gz ADRAMWPTEWNHAS-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOCC(F)F ZINC000190889421 130157264 /nfs/dbraw/zinc/15/72/64/130157264.db2.gz MGAUBXNCFFMXIC-HWKANZROSA-N 1 0 286.278 2.479 20 5 CEBDRO CC[C@@H](NC(=O)CC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000193283412 130607162 /nfs/dbraw/zinc/60/71/62/130607162.db2.gz XLQDHFADANTZGF-GXFFZTMASA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1sc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237372009 131026394 /nfs/dbraw/zinc/02/63/94/131026394.db2.gz JRNXQEXEMMBBKG-SCZZXKLOSA-N 1 0 297.380 2.307 20 5 CEBDRO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000261586881 131154182 /nfs/dbraw/zinc/15/41/82/131154182.db2.gz JEVALZMZSBDGCR-UHFFFAOYSA-N 1 0 283.353 2.048 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261602329 131155773 /nfs/dbraw/zinc/15/57/73/131155773.db2.gz BZCZTXVVBLAYCQ-OLUVUFQESA-N 1 0 291.351 2.020 20 5 CEBDRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000261811105 131170651 /nfs/dbraw/zinc/17/06/51/131170651.db2.gz ZQQYNCSUBSLPQI-YPMHNXCESA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000262976866 131277053 /nfs/dbraw/zinc/27/70/53/131277053.db2.gz YGURGMCDCVPNTL-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000413045301 394473197 /nfs/dbraw/zinc/47/31/97/394473197.db2.gz QFGSXGRVECDSOE-UHFFFAOYSA-N 1 0 280.303 2.168 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421323348 394500500 /nfs/dbraw/zinc/50/05/00/394500500.db2.gz AEIMCSJPPLDHCE-UHFFFAOYSA-N 1 0 278.356 2.494 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364414 394511317 /nfs/dbraw/zinc/51/13/17/394511317.db2.gz RZCGPXROGKXLFR-BXUZGUMPSA-N 1 0 278.352 2.354 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000421768481 394587159 /nfs/dbraw/zinc/58/71/59/394587159.db2.gz FDYMWXAOOCXFJW-LBPRGKRZSA-N 1 0 293.367 2.282 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000308668412 394530542 /nfs/dbraw/zinc/53/05/42/394530542.db2.gz QOEQFBKWMPEORL-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413824554 394645651 /nfs/dbraw/zinc/64/56/51/394645651.db2.gz CYZJOWOUWKPINP-GFCCVEGCSA-N 1 0 293.367 2.286 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000358794403 394729641 /nfs/dbraw/zinc/72/96/41/394729641.db2.gz ZKUXXTCIZKNFPU-LBPRGKRZSA-N 1 0 270.304 2.231 20 5 CEBDRO Cc1cccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000110646920 394737144 /nfs/dbraw/zinc/73/71/44/394737144.db2.gz LWXDIIRWXOAWHX-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729988 394722424 /nfs/dbraw/zinc/72/24/24/394722424.db2.gz XMMMYLUMMSJDNP-FZMZJTMJSA-N 1 0 264.325 2.330 20 5 CEBDRO CNCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838768 394763758 /nfs/dbraw/zinc/76/37/58/394763758.db2.gz ZKDGBQKBZHMCSK-OCCSQVGLSA-N 1 0 277.368 2.115 20 5 CEBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414857145 394773605 /nfs/dbraw/zinc/77/36/05/394773605.db2.gz OYSIIWBXFSBAQP-WDEREUQCSA-N 1 0 281.331 2.212 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359923531 394780534 /nfs/dbraw/zinc/78/05/34/394780534.db2.gz KVUDXMKKLYOCQV-SKDRFNHKSA-N 1 0 288.307 2.310 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CC[NH2+]C2)o1 ZINC000414893826 394792416 /nfs/dbraw/zinc/79/24/16/394792416.db2.gz ZONHLLPTQAMCMD-NSHDSACASA-N 1 0 287.319 2.306 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000274411373 394796161 /nfs/dbraw/zinc/79/61/61/394796161.db2.gz AFXKNBRUFGECRN-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000414949814 394819074 /nfs/dbraw/zinc/81/90/74/394819074.db2.gz GUWGCINAFISUQZ-DGCLKSJQSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414950465 394820110 /nfs/dbraw/zinc/82/01/10/394820110.db2.gz HYFSFFMRHCTPKG-XXAOINLKSA-N 1 0 275.352 2.338 20 5 CEBDRO CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422738929 394749824 /nfs/dbraw/zinc/74/98/24/394749824.db2.gz KLKKXQRZYNZXKY-CABCVRRESA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000415052423 394866290 /nfs/dbraw/zinc/86/62/90/394866290.db2.gz LEPXHFYFBWSCPN-LBPRGKRZSA-N 1 0 251.330 2.058 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1C[NH2+]CCC1(F)F ZINC000414995485 394841756 /nfs/dbraw/zinc/84/17/56/394841756.db2.gz FQCRRWQLTLXXMF-DXTPNHAXSA-N 1 0 297.305 2.195 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364305389 394892636 /nfs/dbraw/zinc/89/26/36/394892636.db2.gz KOSLHVWQAQCRIL-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423582548 394953613 /nfs/dbraw/zinc/95/36/13/394953613.db2.gz AOMIEIJDSDHSBT-NEPJUHHUSA-N 1 0 291.351 2.211 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH2+]C ZINC000415140400 394902785 /nfs/dbraw/zinc/90/27/85/394902785.db2.gz ZDKCRIHMGPMQOF-UHFFFAOYSA-N 1 0 281.356 2.035 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415293974 394919238 /nfs/dbraw/zinc/91/92/38/394919238.db2.gz JXNKAQYTIYURLU-SNVBAGLBSA-N 1 0 294.355 2.461 20 5 CEBDRO C[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282639501 394921737 /nfs/dbraw/zinc/92/17/37/394921737.db2.gz BOADMVYWQPOJJL-UHFFFAOYSA-N 1 0 290.298 2.198 20 5 CEBDRO CC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444411 394923169 /nfs/dbraw/zinc/92/31/69/394923169.db2.gz LUSSDPGVPMHCTD-BREBYQMCSA-N 1 0 251.330 2.371 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000415491569 394937607 /nfs/dbraw/zinc/93/76/07/394937607.db2.gz AZXXQKBTYIGMPZ-LBPRGKRZSA-N 1 0 292.339 2.165 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000368305445 394983668 /nfs/dbraw/zinc/98/36/68/394983668.db2.gz VSAAJLYQYUGZPU-AWEZNQCLSA-N 1 0 279.315 2.266 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000285978411 394994945 /nfs/dbraw/zinc/99/49/45/394994945.db2.gz HPHUQWBJUKJFEQ-YVZVNANGSA-N 1 0 297.380 2.081 20 5 CEBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846725 395001351 /nfs/dbraw/zinc/00/13/51/395001351.db2.gz NXOSBMQCMDHBKZ-QPUJVOFHSA-N 1 0 299.758 2.238 20 5 CEBDRO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171682553 395096760 /nfs/dbraw/zinc/09/67/60/395096760.db2.gz WJSQMHOMWIDGTF-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494207157 395099650 /nfs/dbraw/zinc/09/96/50/395099650.db2.gz BMDJKGMQFUPOTK-HZMBPMFUSA-N 1 0 280.324 2.261 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000397848835 395226912 /nfs/dbraw/zinc/22/69/12/395226912.db2.gz GGIHYYXOFFNUQW-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c(F)c1 ZINC000438908357 395236217 /nfs/dbraw/zinc/23/62/17/395236217.db2.gz UTUYZXNQMKOZBQ-MRVWCRGKSA-N 1 0 280.299 2.391 20 5 CEBDRO CC(C)CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182217577 395237311 /nfs/dbraw/zinc/23/73/11/395237311.db2.gz CPHIUXAFMJFBQR-ZDUSSCGKSA-N 1 0 296.367 2.312 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000398921899 395239783 /nfs/dbraw/zinc/23/97/83/395239783.db2.gz OKWMNDWXRIQLSU-JSGCOSHPSA-N 1 0 278.352 2.088 20 5 CEBDRO Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000396634362 395217199 /nfs/dbraw/zinc/21/71/99/395217199.db2.gz NBNVJXOOAIGWOS-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[NH2+]CC1 ZINC000420278966 395291131 /nfs/dbraw/zinc/29/11/31/395291131.db2.gz WRPJYXYQJYRAQR-GFCCVEGCSA-N 1 0 263.341 2.260 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408172666 395292789 /nfs/dbraw/zinc/29/27/89/395292789.db2.gz ZCDPSGSYAVUSRD-CHWSQXEVSA-N 1 0 290.367 2.137 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354011315 395313076 /nfs/dbraw/zinc/31/30/76/395313076.db2.gz ZLNMREGORSCUNP-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935544 395266408 /nfs/dbraw/zinc/26/64/08/395266408.db2.gz BORGGFCDMOTAHP-SCVCMEIPSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371854 395358598 /nfs/dbraw/zinc/35/85/98/395358598.db2.gz PULXZKJTVCTHAM-XUJVJEKNSA-N 1 0 277.368 2.113 20 5 CEBDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000420641635 395398976 /nfs/dbraw/zinc/39/89/76/395398976.db2.gz UUENZHMHOAQRLK-GFCCVEGCSA-N 1 0 279.340 2.134 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000420629440 395393337 /nfs/dbraw/zinc/39/33/37/395393337.db2.gz CFPKZUQGUGAZBM-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347138823 296513633 /nfs/dbraw/zinc/51/36/33/296513633.db2.gz VBPZFGQNTZSVAL-SJDLMVEWSA-N 1 0 287.363 2.434 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2ncccc2O)cc1[N+](=O)[O-] ZINC000355327899 395413556 /nfs/dbraw/zinc/41/35/56/395413556.db2.gz HDRITNSPERQKKG-UHFFFAOYSA-N 1 0 273.292 2.294 20 5 CEBDRO C[NH+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473878 395529068 /nfs/dbraw/zinc/52/90/68/395529068.db2.gz DURVHQZCRNWGMJ-CYBMUJFWSA-N 1 0 263.341 2.123 20 5 CEBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])N(C)C ZINC000449554502 395555029 /nfs/dbraw/zinc/55/50/29/395555029.db2.gz BRQPDZXKPHEKIS-WMADIVHISA-N 1 0 263.341 2.148 20 5 CEBDRO COCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572605 395623183 /nfs/dbraw/zinc/62/31/83/395623183.db2.gz QRAWRMLTDFROAS-ZDUSSCGKSA-N 1 0 264.325 2.421 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCSC2)n1 ZINC000359032476 296518860 /nfs/dbraw/zinc/51/88/60/296518860.db2.gz CULNCNNTKOTCIU-IJLUTSLNSA-N 1 0 296.396 2.370 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000063191409 400241924 /nfs/dbraw/zinc/24/19/24/400241924.db2.gz UZWYTUKFQFXPGE-BXUZGUMPSA-N 1 0 263.341 2.297 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000135222180 400279513 /nfs/dbraw/zinc/27/95/13/400279513.db2.gz PFJMXWAFHYIUDX-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH2+]C(C)(C)C)c1 ZINC000360114572 155218604 /nfs/dbraw/zinc/21/86/04/155218604.db2.gz XJYNOWJIQWACLR-UHFFFAOYSA-N 1 0 295.339 2.181 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000159220642 289249153 /nfs/dbraw/zinc/24/91/53/289249153.db2.gz UWQBRXRPHRDJSC-WDEREUQCSA-N 1 0 250.298 2.219 20 5 CEBDRO CCCC[N@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000360286772 155260486 /nfs/dbraw/zinc/26/04/86/155260486.db2.gz QANANNGPILDIFR-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000192466855 153207894 /nfs/dbraw/zinc/20/78/94/153207894.db2.gz QSNVKUMPVLIRTF-NSHDSACASA-N 1 0 296.396 2.364 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000192650179 153217180 /nfs/dbraw/zinc/21/71/80/153217180.db2.gz SOWLWRHLHDFOCD-RYUDHWBXSA-N 1 0 295.387 2.404 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000224379918 153323561 /nfs/dbraw/zinc/32/35/61/153323561.db2.gz BIGYIKRDWSOGQG-LLVKDONJSA-N 1 0 252.339 2.438 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829866 153350105 /nfs/dbraw/zinc/35/01/05/153350105.db2.gz KDOYXAHLIVMFCR-CHWSQXEVSA-N 1 0 264.325 2.498 20 5 CEBDRO COC1CC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000230676092 153397810 /nfs/dbraw/zinc/39/78/10/153397810.db2.gz AGEFXMPUNXQSCE-WHXUTIOJSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[NH+](CC)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359083396 154878979 /nfs/dbraw/zinc/87/89/79/154878979.db2.gz OINWANXFCSTWMY-UHFFFAOYSA-N 1 0 266.345 2.360 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000367478269 156193886 /nfs/dbraw/zinc/19/38/86/156193886.db2.gz BIGFHYDAQUBJGW-GFCCVEGCSA-N 1 0 278.356 2.303 20 5 CEBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)C1 ZINC000368076459 156281100 /nfs/dbraw/zinc/28/11/00/156281100.db2.gz QEPUBTQFYUAQJA-RISCZKNCSA-N 1 0 278.356 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+]2CCC1CC2 ZINC000368583582 156367764 /nfs/dbraw/zinc/36/77/64/156367764.db2.gz JNWJTXPKIYYNBO-HWKANZROSA-N 1 0 287.363 2.388 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000370047460 156535516 /nfs/dbraw/zinc/53/55/16/156535516.db2.gz YBNKCBYCAXVQTQ-UHFFFAOYSA-N 1 0 278.356 2.485 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000375391284 157088661 /nfs/dbraw/zinc/08/86/61/157088661.db2.gz KVKGKOLBBTUUGS-CYBMUJFWSA-N 1 0 287.323 2.023 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)c1 ZINC000376079000 157181082 /nfs/dbraw/zinc/18/10/82/157181082.db2.gz GBYZXRFCWMXFBG-VXGBXAGGSA-N 1 0 296.396 2.181 20 5 CEBDRO Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000376106008 157185069 /nfs/dbraw/zinc/18/50/69/157185069.db2.gz DODFNDRKEIGCIZ-RYUDHWBXSA-N 1 0 276.340 2.216 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541755160 298284767 /nfs/dbraw/zinc/28/47/67/298284767.db2.gz JBSOUNKMHRSYAT-UHFFFAOYSA-N 1 0 250.298 2.172 20 5 CEBDRO C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605206 162365432 /nfs/dbraw/zinc/36/54/32/162365432.db2.gz XDTKJDKBAVFHOH-MNOVXSKESA-N 1 0 251.330 2.196 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000168698505 162368464 /nfs/dbraw/zinc/36/84/64/162368464.db2.gz REABOBSADOCRPE-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000172053300 162395584 /nfs/dbraw/zinc/39/55/84/162395584.db2.gz ANRRTUHWCSNFHB-UHFFFAOYSA-N 1 0 289.379 2.307 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000174876269 165118575 /nfs/dbraw/zinc/11/85/75/165118575.db2.gz ORISGIALUAEXIS-YPMHNXCESA-N 1 0 264.329 2.056 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCCC1 ZINC000176202854 165160119 /nfs/dbraw/zinc/16/01/19/165160119.db2.gz XMTZTOWWIVLLHI-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000006382185 170196607 /nfs/dbraw/zinc/19/66/07/170196607.db2.gz ZTWJMYKZSWSDPI-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO C[NH+](C)C(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000020125960 171009711 /nfs/dbraw/zinc/00/97/11/171009711.db2.gz MIWQNLZRXQJTEP-UHFFFAOYSA-N 1 0 251.330 2.025 20 5 CEBDRO CCC[C@@H]([NH2+][C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602246 172290822 /nfs/dbraw/zinc/29/08/22/172290822.db2.gz KPGHISIHKSJWQS-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035733599 172384595 /nfs/dbraw/zinc/38/45/95/172384595.db2.gz TXXHDAQYOYWFEX-SECBINFHSA-N 1 0 250.298 2.492 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000285471927 196295058 /nfs/dbraw/zinc/29/50/58/196295058.db2.gz KOGNKYSBLSVCIA-MWLCHTKSSA-N 1 0 270.354 2.419 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672680 174370628 /nfs/dbraw/zinc/37/06/28/174370628.db2.gz QEABEDVAOVTKEP-DGCLKSJQSA-N 1 0 263.341 2.340 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746503 174391605 /nfs/dbraw/zinc/39/16/05/174391605.db2.gz KEWGTKLTDKOIOO-FOSCPWQOSA-N 1 0 281.381 2.371 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045134151 175312166 /nfs/dbraw/zinc/31/21/66/175312166.db2.gz FGXHQGNNIACUPY-LBPRGKRZSA-N 1 0 250.298 2.492 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177505 175879943 /nfs/dbraw/zinc/87/99/43/175879943.db2.gz JFDMPKYCAMUESU-BXUZGUMPSA-N 1 0 293.367 2.163 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000071333260 176125872 /nfs/dbraw/zinc/12/58/72/176125872.db2.gz JJNWOQQDMJBHKV-NSHDSACASA-N 1 0 274.324 2.488 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537486 176410973 /nfs/dbraw/zinc/41/09/73/176410973.db2.gz MCPOUWMYHZOKMW-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078362780 177335435 /nfs/dbraw/zinc/33/54/35/177335435.db2.gz BDFOQFNKMSFZBR-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873954 260869419 /nfs/dbraw/zinc/86/94/19/260869419.db2.gz MCGAOYCOIRLPFX-DGCLKSJQSA-N 1 0 286.335 2.457 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488785982 262394047 /nfs/dbraw/zinc/39/40/47/262394047.db2.gz PMQNPVKCQGUEOZ-VXGBXAGGSA-N 1 0 294.351 2.196 20 5 CEBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425335452 264012090 /nfs/dbraw/zinc/01/20/90/264012090.db2.gz IBRJKGHXNUXALS-JQWIXIFHSA-N 1 0 292.364 2.455 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH3+] ZINC000514589037 266007834 /nfs/dbraw/zinc/00/78/34/266007834.db2.gz DLYUESJDGNFVRQ-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000150258453 270236420 /nfs/dbraw/zinc/23/64/20/270236420.db2.gz GTMMQNYSQVAAPI-LXKVQUBZSA-N 1 0 291.351 2.242 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000322544179 270335107 /nfs/dbraw/zinc/33/51/07/270335107.db2.gz UDUHDCJLINMKKC-CYBMUJFWSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896214 270341340 /nfs/dbraw/zinc/34/13/40/270341340.db2.gz CXVPTPYPOJVFJO-GZMMTYOYSA-N 1 0 297.742 2.005 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000396948756 270350773 /nfs/dbraw/zinc/35/07/73/270350773.db2.gz XSIAYRPFQAFYIV-LLVKDONJSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642029 270360210 /nfs/dbraw/zinc/36/02/10/270360210.db2.gz XQFTYMOTDVDVQM-RYUDHWBXSA-N 1 0 264.325 2.045 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885804 270363694 /nfs/dbraw/zinc/36/36/94/270363694.db2.gz BXLRHLCMGIGSJQ-AAEUAGOBSA-N 1 0 278.352 2.354 20 5 CEBDRO CC(=O)c1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420261985 270497724 /nfs/dbraw/zinc/49/77/24/270497724.db2.gz QVNOBVVNOIXTAP-GXFFZTMASA-N 1 0 291.351 2.361 20 5 CEBDRO CC[NH2+]CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423235447 270878872 /nfs/dbraw/zinc/87/88/72/270878872.db2.gz AZOGOAYYKFKWED-NSHDSACASA-N 1 0 251.330 2.163 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[NH2+]C1 ZINC000423552415 270923985 /nfs/dbraw/zinc/92/39/85/270923985.db2.gz JXGHDELPFTXKFG-OCCSQVGLSA-N 1 0 277.368 2.258 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423683890 270930992 /nfs/dbraw/zinc/93/09/92/270930992.db2.gz QPXDUKMMYAAEMV-ZJUUUORDSA-N 1 0 279.340 2.184 20 5 CEBDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856651 270963303 /nfs/dbraw/zinc/96/33/03/270963303.db2.gz XUJKMQPFAMWBRC-SNVBAGLBSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428648650 271284164 /nfs/dbraw/zinc/28/41/64/271284164.db2.gz JLVUSYTVWZICBV-JTQLQIEISA-N 1 0 274.267 2.009 20 5 CEBDRO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204741 271361325 /nfs/dbraw/zinc/36/13/25/271361325.db2.gz HPQBEMOGRTVUJR-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CC1 ZINC000430210660 271363257 /nfs/dbraw/zinc/36/32/57/271363257.db2.gz UVLQHDXVXGKHLB-UHFFFAOYSA-N 1 0 250.298 2.445 20 5 CEBDRO C[C@H](C[NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000441617416 271808214 /nfs/dbraw/zinc/80/82/14/271808214.db2.gz CVLJNWGAAZGDDB-MRVPVSSYSA-N 1 0 293.348 2.134 20 5 CEBDRO CC(C)[C@@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000297681095 273551247 /nfs/dbraw/zinc/55/12/47/273551247.db2.gz PEFXYRBNMYXVEE-CYBMUJFWSA-N 1 0 299.758 2.238 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+](C)C ZINC000271284847 274186762 /nfs/dbraw/zinc/18/67/62/274186762.db2.gz CYRVOVUGOOMFDL-KBPBESRZSA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000158445073 274395110 /nfs/dbraw/zinc/39/51/10/274395110.db2.gz AJDUYWNMGKAHSW-ZJUUUORDSA-N 1 0 289.339 2.366 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135237771 274678240 /nfs/dbraw/zinc/67/82/40/274678240.db2.gz HOULLQTUYDXEGR-RISCZKNCSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH2+]CC1)CCC2 ZINC000332208322 275038056 /nfs/dbraw/zinc/03/80/56/275038056.db2.gz HZECTDVDGHPICB-OAHLLOKOSA-N 1 0 275.352 2.314 20 5 CEBDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000037138380 275448450 /nfs/dbraw/zinc/44/84/50/275448450.db2.gz NCZRMAVOOIPYIY-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(C)C ZINC000090520210 276134990 /nfs/dbraw/zinc/13/49/90/276134990.db2.gz XAHJEFNOYDBUGG-LBPRGKRZSA-N 1 0 281.356 2.123 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000290945830 276232808 /nfs/dbraw/zinc/23/28/08/276232808.db2.gz OVGFBVKBDFIZOX-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000301788624 277002629 /nfs/dbraw/zinc/00/26/29/277002629.db2.gz MVJQOJSQERCJJX-SECBINFHSA-N 1 0 285.294 2.403 20 5 CEBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000375595145 277034952 /nfs/dbraw/zinc/03/49/52/277034952.db2.gz CYMKDYCUDBFCAM-NSHDSACASA-N 1 0 296.396 2.219 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266504169 277130397 /nfs/dbraw/zinc/13/03/97/277130397.db2.gz BGEIIVVTIJYKBB-MNOVXSKESA-N 1 0 278.308 2.151 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292374033 277186395 /nfs/dbraw/zinc/18/63/95/277186395.db2.gz SGKCEJKAHNDHKT-AWEZNQCLSA-N 1 0 279.315 2.266 20 5 CEBDRO COCCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000180417679 277209684 /nfs/dbraw/zinc/20/96/84/277209684.db2.gz DWRLLJSPMWYYTH-NSHDSACASA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963615 277632784 /nfs/dbraw/zinc/63/27/84/277632784.db2.gz JUYDPKFPMAIZOC-MNOVXSKESA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1noc(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000113711454 279736942 /nfs/dbraw/zinc/73/69/42/279736942.db2.gz RYNXHJCGTVTEOS-UHFFFAOYSA-N 1 0 291.307 2.368 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000134079357 280012533 /nfs/dbraw/zinc/01/25/33/280012533.db2.gz VUFZACHNNXAUFE-SMDDNHRTSA-N 1 0 291.351 2.223 20 5 CEBDRO CC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235395 280039979 /nfs/dbraw/zinc/03/99/79/280039979.db2.gz YGJIVCXKNDRKPO-CYBMUJFWSA-N 1 0 264.325 2.330 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000193581583 280048776 /nfs/dbraw/zinc/04/87/76/280048776.db2.gz YOMYHAQADQAHFZ-LDYMZIIASA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@@H]([NH2+]CC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000135740899 280054225 /nfs/dbraw/zinc/05/42/25/280054225.db2.gz ZURRIORGNAICFE-CQSZACIVSA-N 1 0 293.367 2.408 20 5 CEBDRO Cc1c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000127390229 280218057 /nfs/dbraw/zinc/21/80/57/280218057.db2.gz RNVFQQMQCNTJPY-OAHLLOKOSA-N 1 0 293.367 2.397 20 5 CEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000163274361 280273281 /nfs/dbraw/zinc/27/32/81/280273281.db2.gz WDATVHINMXODTR-TZMCWYRMSA-N 1 0 293.367 2.315 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H]1O)CCC2 ZINC000424325942 281148911 /nfs/dbraw/zinc/14/89/11/281148911.db2.gz LIMXUKVDYLCJLU-BFHYXJOUSA-N 1 0 262.309 2.085 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623489 281270484 /nfs/dbraw/zinc/27/04/84/281270484.db2.gz GXHSSCFCRWXUCK-IUODEOHRSA-N 1 0 293.367 2.175 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000311596152 289279959 /nfs/dbraw/zinc/27/99/59/289279959.db2.gz BLGMNRFELJDJEM-AAEUAGOBSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000312618791 289281435 /nfs/dbraw/zinc/28/14/35/289281435.db2.gz ARJUKHLPOIMYNW-HOSYDEDBSA-N 1 0 279.315 2.216 20 5 CEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000456198596 289563512 /nfs/dbraw/zinc/56/35/12/289563512.db2.gz JRVJMQNEWUVMNU-UHFFFAOYSA-N 1 0 283.328 2.038 20 5 CEBDRO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283420 290387362 /nfs/dbraw/zinc/38/73/62/290387362.db2.gz KCKQXFRSHVPUJF-QWHCGFSZSA-N 1 0 275.352 2.373 20 5 CEBDRO COCC1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539649690 298251159 /nfs/dbraw/zinc/25/11/59/298251159.db2.gz FIKWZTNCLMCRST-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000557004435 298562906 /nfs/dbraw/zinc/56/29/06/298562906.db2.gz WEEAWVZOFVZVLV-NSHDSACASA-N 1 0 292.339 2.106 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000215999209 300413238 /nfs/dbraw/zinc/41/32/38/300413238.db2.gz DVFZGMWHAGZZNU-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000195522813 303220257 /nfs/dbraw/zinc/22/02/57/303220257.db2.gz CTQXYUOBHGFDTQ-UHFFFAOYSA-N 1 0 291.355 2.063 20 5 CEBDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427022 312767806 /nfs/dbraw/zinc/76/78/06/312767806.db2.gz PQJSUMGAAUVKSA-VXGBXAGGSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517556096 313111239 /nfs/dbraw/zinc/11/12/39/313111239.db2.gz GEBZLULBXFVJTM-MNOVXSKESA-N 1 0 277.324 2.169 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000569684794 314008571 /nfs/dbraw/zinc/00/85/71/314008571.db2.gz UNHBWMKLUXGVNE-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000571084056 314073068 /nfs/dbraw/zinc/07/30/68/314073068.db2.gz ZQCWFEXUZMYEMB-GQYWMQPJSA-N 1 0 288.307 2.299 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077590 314545350 /nfs/dbraw/zinc/54/53/50/314545350.db2.gz HCXVNBZUVJRYDR-GWCFXTLKSA-N 1 0 279.340 2.078 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138501 314555086 /nfs/dbraw/zinc/55/50/86/314555086.db2.gz SMTABLUKZHPGIA-ZIAGYGMSSA-N 1 0 294.351 2.243 20 5 CEBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386560692 321872076 /nfs/dbraw/zinc/87/20/76/321872076.db2.gz IYMDPVRJRQDPAQ-RISCZKNCSA-N 1 0 263.341 2.215 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000580718376 322338632 /nfs/dbraw/zinc/33/86/32/322338632.db2.gz UYKIFYMWLWOXOL-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO [NH3+][C@@H]1CC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]12 ZINC000582291559 322460815 /nfs/dbraw/zinc/46/08/15/322460815.db2.gz ITWUPDWNUUUIOA-LEWSCRJBSA-N 1 0 298.346 2.317 20 5 CEBDRO Cc1c(NC(=O)N[C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414716597 533910744 /nfs/dbraw/zinc/91/07/44/533910744.db2.gz XCUCWRWOHGZELE-AWEZNQCLSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000092938438 533922581 /nfs/dbraw/zinc/92/25/81/533922581.db2.gz DBLKAPTVBSFCLT-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188474226 520201900 /nfs/dbraw/zinc/20/19/00/520201900.db2.gz LXGNTFWDDGNCKR-VXGBXAGGSA-N 1 0 293.367 2.421 20 5 CEBDRO CCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378532 521514073 /nfs/dbraw/zinc/51/40/73/521514073.db2.gz SGYPOWXFAYGASY-ZDUSSCGKSA-N 1 0 277.324 2.042 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000050162401 524144001 /nfs/dbraw/zinc/14/40/01/524144001.db2.gz BVRWGEDDGHABHI-YPMHNXCESA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H]1COCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000363478131 525113504 /nfs/dbraw/zinc/11/35/04/525113504.db2.gz HIXNFKVNZJNJNG-NSHDSACASA-N 1 0 250.298 2.063 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163852988 525457983 /nfs/dbraw/zinc/45/79/83/525457983.db2.gz RVCSXCCHFZOXSC-YPMHNXCESA-N 1 0 293.367 2.020 20 5 CEBDRO CSCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000151162176 525496622 /nfs/dbraw/zinc/49/66/22/525496622.db2.gz SGIXYPNVUHHEEM-UHFFFAOYSA-N 1 0 254.355 2.432 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCCCC1 ZINC000052812761 525576516 /nfs/dbraw/zinc/57/65/16/525576516.db2.gz RREZKLIRBDUFFF-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000050443612 527332370 /nfs/dbraw/zinc/33/23/70/527332370.db2.gz JSZYJPYXIBFDNY-VIFPVBQESA-N 1 0 270.716 2.374 20 5 CEBDRO CC[NH2+][C@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414965014 528420655 /nfs/dbraw/zinc/42/06/55/528420655.db2.gz VLRQTDMFUWBARV-SECBINFHSA-N 1 0 271.748 2.336 20 5 CEBDRO CC[N@H+](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000357256804 528477766 /nfs/dbraw/zinc/47/77/66/528477766.db2.gz ATEGVNZIHUZLTF-UHFFFAOYSA-N 1 0 291.355 2.035 20 5 CEBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261789802 536400368 /nfs/dbraw/zinc/40/03/68/536400368.db2.gz QUGZAERGMNMJTF-SNVBAGLBSA-N 1 0 293.367 2.230 20 5 CEBDRO C[C@@H]1CSCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838279 574516695 /nfs/dbraw/zinc/51/66/95/574516695.db2.gz SEORQKCUECAUTK-SMDDNHRTSA-N 1 0 296.392 2.313 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500468 574596989 /nfs/dbraw/zinc/59/69/89/574596989.db2.gz HDMAIQOMHHPBPF-CYBMUJFWSA-N 1 0 297.330 2.050 20 5 CEBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000748820321 575197969 /nfs/dbraw/zinc/19/79/69/575197969.db2.gz VILBSQQUXIQROT-VIFPVBQESA-N 1 0 295.730 2.018 20 5 CEBDRO CO[C@@H](C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083632 575246226 /nfs/dbraw/zinc/24/62/26/575246226.db2.gz WLJXAMWAYSVECN-WFASDCNBSA-N 1 0 296.367 2.374 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000932492235 622896930 /nfs/dbraw/zinc/89/69/30/622896930.db2.gz PFEYKSUSHKYDTA-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H](CCO)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000779422647 623499124 /nfs/dbraw/zinc/49/91/24/623499124.db2.gz PUJNLEQMNWDGEM-VIFPVBQESA-N 1 0 272.732 2.151 20 5 CEBDRO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+]1CCCC[C@H]1C ZINC000891819549 623993835 /nfs/dbraw/zinc/99/38/35/623993835.db2.gz XVXMNKBYXKOVBU-MNOVXSKESA-N 1 0 281.360 2.003 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933913377 624082076 /nfs/dbraw/zinc/08/20/76/624082076.db2.gz BTBJABOJPAAHDZ-CYBMUJFWSA-N 1 0 296.396 2.009 20 5 CEBDRO C[C@H]1COC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926439477 624728475 /nfs/dbraw/zinc/72/84/75/624728475.db2.gz JQXUEVNKQHDXDR-ZUZCIYMTSA-N 1 0 289.335 2.243 20 5 CEBDRO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892665312 627367622 /nfs/dbraw/zinc/36/76/22/627367622.db2.gz LFCFCYSLVZRYOS-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC2CCC2)c1[N+](=O)[O-] ZINC000892714276 627706814 /nfs/dbraw/zinc/70/68/14/627706814.db2.gz LDPQIRROMKELMW-UHFFFAOYSA-N 1 0 266.297 2.199 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312478553 628275497 /nfs/dbraw/zinc/27/54/97/628275497.db2.gz NIHBAKMZKFAQKS-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640160 628338139 /nfs/dbraw/zinc/33/81/39/628338139.db2.gz GNDZMVOGORILQT-COPLHBTASA-N 1 0 264.325 2.150 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000925643084 628341019 /nfs/dbraw/zinc/34/10/19/628341019.db2.gz VOESMAYCVGOWAR-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000313563566 628617930 /nfs/dbraw/zinc/61/79/30/628617930.db2.gz QHYHZIIEFDZNON-YGRLFVJLSA-N 1 0 281.331 2.258 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000931695622 628786788 /nfs/dbraw/zinc/78/67/88/628786788.db2.gz YHHQXSWTFCYULA-CYBMUJFWSA-N 1 0 266.366 2.443 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693221 628923874 /nfs/dbraw/zinc/92/38/74/628923874.db2.gz UBPFATMSPKPRIP-NGZCFLSTSA-N 1 0 266.345 2.342 20 5 CEBDRO CCOC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178577856 628952656 /nfs/dbraw/zinc/95/26/56/628952656.db2.gz NQQZIWNKRJNLFO-OAHLLOKOSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000924953267 629290839 /nfs/dbraw/zinc/29/08/39/629290839.db2.gz AWLRSJPFZONLBV-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794951325 629372295 /nfs/dbraw/zinc/37/22/95/629372295.db2.gz IGJKCKGUTVZVRL-OLRMPSLUSA-N 1 0 290.319 2.007 20 5 CEBDRO C[C@]1(C[NH3+])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000261985121 629410188 /nfs/dbraw/zinc/41/01/88/629410188.db2.gz RVOMYEVOMUGOLN-CYBMUJFWSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)n1 ZINC000894796881 629645284 /nfs/dbraw/zinc/64/52/84/629645284.db2.gz GNVBUPYGOQJMPG-GJZGRUSLSA-N 1 0 290.367 2.076 20 5 CEBDRO C[N@@H+]1C[C@@]2(C)CN(c3ccsc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894802242 629648192 /nfs/dbraw/zinc/64/81/92/629648192.db2.gz MFHSEOSRRYWCCO-BETUJISGSA-N 1 0 281.381 2.434 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000895100662 629896237 /nfs/dbraw/zinc/89/62/37/629896237.db2.gz DQJADSVFWQWVQA-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125046 629928642 /nfs/dbraw/zinc/92/86/42/629928642.db2.gz OFIPJWRHJZFRRQ-SCZZXKLOSA-N 1 0 298.364 2.293 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000928553151 629962970 /nfs/dbraw/zinc/96/29/70/629962970.db2.gz YDPPOIVNNAGXJO-LBPRGKRZSA-N 1 0 299.330 2.182 20 5 CEBDRO C[NH+](C)CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000895321778 630108591 /nfs/dbraw/zinc/10/85/91/630108591.db2.gz XNIBBQKQEUBXDP-SNVBAGLBSA-N 1 0 298.774 2.421 20 5 CEBDRO COC(OC)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895795385 630351925 /nfs/dbraw/zinc/35/19/25/630351925.db2.gz WBVYOEAZQKDOOQ-QMMMGPOBSA-N 1 0 288.731 2.345 20 5 CEBDRO CCO[C@H](CNc1cccc(C)c1[N+](=O)[O-])C[NH+](C)C ZINC000896113527 630467599 /nfs/dbraw/zinc/46/75/99/630467599.db2.gz QENFJYXIHUXITE-GFCCVEGCSA-N 1 0 281.356 2.282 20 5 CEBDRO C[NH+]1CCC2(CCCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000798406808 630865687 /nfs/dbraw/zinc/86/56/87/630865687.db2.gz XTTBBRQSVCQZAP-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[NH+](C)CCCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840656149 631348850 /nfs/dbraw/zinc/34/88/50/631348850.db2.gz KKWVBOCFTQKRFG-UONOGXRCSA-N 1 0 292.335 2.193 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000897464059 631532096 /nfs/dbraw/zinc/53/20/96/631532096.db2.gz JZWATMICFNVQAC-SNVBAGLBSA-N 1 0 261.281 2.476 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000897469257 631536252 /nfs/dbraw/zinc/53/62/52/631536252.db2.gz GYHJOPLKKMEZCZ-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000897530599 631675751 /nfs/dbraw/zinc/67/57/51/631675751.db2.gz MEYOYXKPUGIMPC-UHFFFAOYSA-N 1 0 276.336 2.380 20 5 CEBDRO COC[C@@](C)([NH3+])CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804458736 631685276 /nfs/dbraw/zinc/68/52/76/631685276.db2.gz ODYHJVHHLAJVPQ-NSHDSACASA-N 1 0 273.720 2.024 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H]1C ZINC000807989000 631899082 /nfs/dbraw/zinc/89/90/82/631899082.db2.gz XFZUCNRDWRHNCC-SNVBAGLBSA-N 1 0 281.360 2.016 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC(CCO)C1 ZINC000898007926 631999176 /nfs/dbraw/zinc/99/91/76/631999176.db2.gz KSEKBQMWEROWBI-HWKANZROSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(CCO)C2)cc1Cl ZINC000898011935 632002586 /nfs/dbraw/zinc/00/25/86/632002586.db2.gz VTSADAHTYFHOBS-UHFFFAOYSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H](O)C1CC1 ZINC000898199285 632111913 /nfs/dbraw/zinc/11/19/13/632111913.db2.gz KQNALDXFETYQPN-ZFWWWQNUSA-N 1 0 276.336 2.333 20 5 CEBDRO [NH3+]CCN(Cc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000809728367 632133207 /nfs/dbraw/zinc/13/32/07/632133207.db2.gz UQWUGTAYCRYPHJ-UHFFFAOYSA-N 1 0 290.298 2.094 20 5 CEBDRO CON1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000323233363 632298566 /nfs/dbraw/zinc/29/85/66/632298566.db2.gz CCBGAQFYOUFOII-UHFFFAOYSA-N 1 0 279.340 2.019 20 5 CEBDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083459 632451284 /nfs/dbraw/zinc/45/12/84/632451284.db2.gz GWMHJXOHKRTACP-SMDDNHRTSA-N 1 0 280.324 2.051 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000898385018 632476462 /nfs/dbraw/zinc/47/64/62/632476462.db2.gz BICJOWCTFKFBSI-ZIAGYGMSSA-N 1 0 262.309 2.109 20 5 CEBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105550 634069950 /nfs/dbraw/zinc/06/99/50/634069950.db2.gz HBFOTQXUUWFIOT-RISCZKNCSA-N 1 0 296.367 2.421 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819188129 634098212 /nfs/dbraw/zinc/09/82/12/634098212.db2.gz CHOWLXYYCAJZEB-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000819231982 634110709 /nfs/dbraw/zinc/11/07/09/634110709.db2.gz AUTUYNUZPRRCEP-KRWDZBQOSA-N 1 0 298.342 2.385 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000819259034 634120096 /nfs/dbraw/zinc/12/00/96/634120096.db2.gz DQFYJVHVQJUMQH-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000819270776 634123174 /nfs/dbraw/zinc/12/31/74/634123174.db2.gz IIBKUBYMHCVIAI-RQJABVFESA-N 1 0 262.309 2.016 20 5 CEBDRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819313193 634135956 /nfs/dbraw/zinc/13/59/56/634135956.db2.gz ZQJXCCBAGNDYPH-OASPWFOLSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1ccnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819332731 634144011 /nfs/dbraw/zinc/14/40/11/634144011.db2.gz CAEHDFAYSIVZSR-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO CO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000819375161 634161855 /nfs/dbraw/zinc/16/18/55/634161855.db2.gz PZHHHCNQBZGZKJ-LSDHHAIUSA-N 1 0 296.367 2.279 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000819953471 634297805 /nfs/dbraw/zinc/29/78/05/634297805.db2.gz QRVVQPVQLWJCBE-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000822654611 634964017 /nfs/dbraw/zinc/96/40/17/634964017.db2.gz NXHDPYXUHPLBMM-FZMZJTMJSA-N 1 0 286.291 2.112 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H](CCO)C2CC2)cc([N+](=O)[O-])c1 ZINC000903120290 634980639 /nfs/dbraw/zinc/98/06/39/634980639.db2.gz NCPIETDWHQTXPG-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1ccc(-c2noc([C@H](C)C[NH3+])n2)cc1[N+](=O)[O-] ZINC000822723361 634981131 /nfs/dbraw/zinc/98/11/31/634981131.db2.gz UVSBHAQFPMDOGY-MRVPVSSYSA-N 1 0 262.269 2.015 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000822807888 635000188 /nfs/dbraw/zinc/00/01/88/635000188.db2.gz JWAOLUUVCSBHEQ-FXAINCCUSA-N 1 0 286.291 2.376 20 5 CEBDRO Cc1c(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000823269185 635119271 /nfs/dbraw/zinc/11/92/71/635119271.db2.gz DPPUNQGBVYHYPG-IEBDPFPHSA-N 1 0 286.291 2.376 20 5 CEBDRO Cc1c(-c2noc([C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000823270882 635120062 /nfs/dbraw/zinc/12/00/62/635120062.db2.gz WYSRFVANKOQZHS-SNVBAGLBSA-N 1 0 288.307 2.420 20 5 CEBDRO Cc1c(CN[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468691 635141356 /nfs/dbraw/zinc/14/13/56/635141356.db2.gz NTIQWDNQSSBFPW-CQSZACIVSA-N 1 0 275.352 2.277 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000903529675 635162525 /nfs/dbraw/zinc/16/25/25/635162525.db2.gz QFJPIVLXZOJYNQ-ZDUSSCGKSA-N 1 0 293.367 2.048 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]([NH3+])CC(F)F ZINC000903884158 635326273 /nfs/dbraw/zinc/32/62/73/635326273.db2.gz TUGQYERXUCMJBE-SNVBAGLBSA-N 1 0 273.283 2.009 20 5 CEBDRO C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987802 635407174 /nfs/dbraw/zinc/40/71/74/635407174.db2.gz JVIAKEJRVJLKAA-GMXVVIOVSA-N 1 0 263.341 2.243 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000904124460 635462576 /nfs/dbraw/zinc/46/25/76/635462576.db2.gz YVVNVQIGYYDXCD-UHFFFAOYSA-N 1 0 290.323 2.495 20 5 CEBDRO COCCN1[C@H](C)CN(c2sccc2[N+](=O)[O-])C[C@@H]1C ZINC000826632270 635798273 /nfs/dbraw/zinc/79/82/73/635798273.db2.gz DZHBQAOBPBMXPI-PHIMTYICSA-N 1 0 299.396 2.202 20 5 CEBDRO CC[C@H](C[NH2+]CC[N+](=O)[O-])Oc1cccc(C)c1 ZINC000905155671 635831967 /nfs/dbraw/zinc/83/19/67/635831967.db2.gz QHOXTJBSLLZUEX-GFCCVEGCSA-N 1 0 252.314 2.019 20 5 CEBDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905126054 635835347 /nfs/dbraw/zinc/83/53/47/635835347.db2.gz CQNBPFMZPHIZEY-SKDRFNHKSA-N 1 0 272.732 2.282 20 5 CEBDRO CCOc1ccc(Cl)cc1CC[NH2+]CC[N+](=O)[O-] ZINC000905189419 635858384 /nfs/dbraw/zinc/85/83/84/635858384.db2.gz SPCPWSJIDWMMFV-UHFFFAOYSA-N 1 0 272.732 2.148 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000905246683 636170777 /nfs/dbraw/zinc/17/07/77/636170777.db2.gz FLNKNEHCASHQCX-WCQYABFASA-N 1 0 252.289 2.328 20 5 CEBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCO1 ZINC000905586401 636342652 /nfs/dbraw/zinc/34/26/52/636342652.db2.gz CWXCDIGLPYGHNB-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H](O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827585880 636358970 /nfs/dbraw/zinc/35/89/70/636358970.db2.gz QWPWPNUXSVDEMP-QMMMGPOBSA-N 1 0 270.716 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906173157 636635263 /nfs/dbraw/zinc/63/52/63/636635263.db2.gz ZYPPUROSIFPVGE-ZDUSSCGKSA-N 1 0 270.292 2.476 20 5 CEBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000831338533 637291415 /nfs/dbraw/zinc/29/14/15/637291415.db2.gz KJMFICLPOVNBSH-MELADBBJSA-N 1 0 294.351 2.031 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](C)C)cc1Cl ZINC000836353768 638608705 /nfs/dbraw/zinc/60/87/05/638608705.db2.gz KLJSDDUZCHJRCC-SECBINFHSA-N 1 0 299.758 2.237 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841036720 639628124 /nfs/dbraw/zinc/62/81/24/639628124.db2.gz WIIWRUBHMNFMLG-NSHDSACASA-N 1 0 269.732 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000841057040 639634680 /nfs/dbraw/zinc/63/46/80/639634680.db2.gz ASDMRPDELOLTGO-NSHDSACASA-N 1 0 283.759 2.480 20 5 CEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCC[NH2+]C1 ZINC000841103213 639675495 /nfs/dbraw/zinc/67/54/95/639675495.db2.gz NDRDOBOGOJKUEJ-VIFPVBQESA-N 1 0 298.730 2.122 20 5 CEBDRO [NH3+][C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000841232100 639713536 /nfs/dbraw/zinc/71/35/36/639713536.db2.gz AFCJVOQUGQPYRI-MRVPVSSYSA-N 1 0 298.730 2.107 20 5 CEBDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000230163137 639744400 /nfs/dbraw/zinc/74/44/00/639744400.db2.gz IVQJXIDWGMWILB-ZDUSSCGKSA-N 1 0 284.381 2.107 20 5 CEBDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925383782 640022447 /nfs/dbraw/zinc/02/24/47/640022447.db2.gz WXTOZYKJJSXLRE-JYAVWHMHSA-N 1 0 294.351 2.234 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477079 640076676 /nfs/dbraw/zinc/07/66/76/640076676.db2.gz GBKIETUOUHSTNX-SWLSCSKDSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477078 640077305 /nfs/dbraw/zinc/07/73/05/640077305.db2.gz GBKIETUOUHSTNX-IUODEOHRSA-N 1 0 275.352 2.484 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000842476426 640077321 /nfs/dbraw/zinc/07/73/21/640077321.db2.gz OEAQOJKEXULVDC-BFVZDQMLSA-N 1 0 281.331 2.210 20 5 CEBDRO CC(C)(C)[S@@](=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877054474 650551041 /nfs/dbraw/zinc/55/10/41/650551041.db2.gz FLUPLUOJULGJPT-FQEVSTJZSA-N 1 0 298.408 2.274 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843055028 640256990 /nfs/dbraw/zinc/25/69/90/640256990.db2.gz DHPIMQPFSIXSGL-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843092123 640278248 /nfs/dbraw/zinc/27/82/48/640278248.db2.gz AJJPHSQOZUQGOP-GXTWGEPZSA-N 1 0 296.367 2.015 20 5 CEBDRO CC(C)[C@H]([NH3+])c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000843147058 640305920 /nfs/dbraw/zinc/30/59/20/640305920.db2.gz YXDCOGJDQLBHKS-LBPRGKRZSA-N 1 0 292.295 2.213 20 5 CEBDRO C[NH2+]CCCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178468 640329194 /nfs/dbraw/zinc/32/91/94/640329194.db2.gz GEJZQPOKGQKGBY-UHFFFAOYSA-N 1 0 276.296 2.105 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000843188070 640340014 /nfs/dbraw/zinc/34/00/14/640340014.db2.gz XNDZEUGOKPABEM-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)s1 ZINC000843219148 640351291 /nfs/dbraw/zinc/35/12/91/640351291.db2.gz XUJDBKIAVYOMFY-MRVPVSSYSA-N 1 0 294.336 2.248 20 5 CEBDRO Cc1ccc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000845809949 641098126 /nfs/dbraw/zinc/09/81/26/641098126.db2.gz IXIJIRPLFQXTDR-YPMHNXCESA-N 1 0 292.335 2.400 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000877435123 650720236 /nfs/dbraw/zinc/72/02/36/650720236.db2.gz OGQGOFWFLLRQPE-UHFFFAOYSA-N 1 0 297.330 2.325 20 5 CEBDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850551970 642751459 /nfs/dbraw/zinc/75/14/59/642751459.db2.gz ZOIONBCZYJSXQL-LLVKDONJSA-N 1 0 295.339 2.252 20 5 CEBDRO COC[C@H]1CC[N@@H+]1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877550362 650781714 /nfs/dbraw/zinc/78/17/14/650781714.db2.gz OMMPMYUBPWNKOM-GFCCVEGCSA-N 1 0 264.325 2.432 20 5 CEBDRO CC(C)O[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000922610166 643161164 /nfs/dbraw/zinc/16/11/64/643161164.db2.gz PZZQADWQMSIPCG-OAHLLOKOSA-N 1 0 294.351 2.269 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922643966 643175398 /nfs/dbraw/zinc/17/53/98/643175398.db2.gz YCRCYOKNASCBPT-CBHWHFHUSA-N 1 0 262.309 2.233 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922643967 643175607 /nfs/dbraw/zinc/17/56/07/643175607.db2.gz YCRCYOKNASCBPT-DMBZQDCGSA-N 1 0 262.309 2.233 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000922725380 643224998 /nfs/dbraw/zinc/22/49/98/643224998.db2.gz YPPYNRMZQHTSMZ-GUTXKFCHSA-N 1 0 274.320 2.276 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877630792 650823192 /nfs/dbraw/zinc/82/31/92/650823192.db2.gz MSXKBLONRHWDAX-MLCFOIATSA-N 1 0 294.355 2.042 20 5 CEBDRO C[N@@H+](CC1=CCSC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852747564 643531407 /nfs/dbraw/zinc/53/14/07/643531407.db2.gz OBERLKBGVIKTFP-AWEZNQCLSA-N 1 0 294.376 2.233 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852799794 643556190 /nfs/dbraw/zinc/55/61/90/643556190.db2.gz JFBRVJBVACDQPY-UHFFFAOYSA-N 1 0 275.308 2.152 20 5 CEBDRO COc1cc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853155044 643679157 /nfs/dbraw/zinc/67/91/57/643679157.db2.gz JXZISHXEOAANTQ-UHFFFAOYSA-N 1 0 293.367 2.442 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000853245051 643720193 /nfs/dbraw/zinc/72/01/93/643720193.db2.gz QODDNVIQXYANTF-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000774528068 643802530 /nfs/dbraw/zinc/80/25/30/643802530.db2.gz AHKLQCIDVOHKDD-CQSZACIVSA-N 1 0 261.325 2.268 20 5 CEBDRO C[N@H+](C[C@H]1CCc2ccccc21)Cn1cc([N+](=O)[O-])cn1 ZINC000853610363 643832309 /nfs/dbraw/zinc/83/23/09/643832309.db2.gz PBQMZPQLWPBSJQ-CYBMUJFWSA-N 1 0 286.335 2.411 20 5 CEBDRO CC(C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150034 643999108 /nfs/dbraw/zinc/99/91/08/643999108.db2.gz DGFOAJRKEUBEBN-UHFFFAOYSA-N 1 0 268.298 2.204 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000754543783 644387823 /nfs/dbraw/zinc/38/78/23/644387823.db2.gz YYKYLMGKMHARGF-CYBMUJFWSA-N 1 0 296.298 2.165 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000754572944 644393930 /nfs/dbraw/zinc/39/39/30/644393930.db2.gz ZXAAVXBJTWTFDH-NJZAAPMLSA-N 1 0 294.351 2.033 20 5 CEBDRO CC1=CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000756631545 644676840 /nfs/dbraw/zinc/67/68/40/644676840.db2.gz DQONEQNXZSNGRJ-CQSZACIVSA-N 1 0 262.309 2.280 20 5 CEBDRO Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000856772263 644718635 /nfs/dbraw/zinc/71/86/35/644718635.db2.gz QXCNEAMXQDRYOR-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759072682 644982943 /nfs/dbraw/zinc/98/29/43/644982943.db2.gz VJCVKSNBWSHXMX-KBPBESRZSA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059220 645686622 /nfs/dbraw/zinc/68/66/22/645686622.db2.gz WYQYNEYKKKXNFB-BXKDBHETSA-N 1 0 293.348 2.436 20 5 CEBDRO C[NH2+]C(C)(C)CNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000775681321 646980227 /nfs/dbraw/zinc/98/02/27/646980227.db2.gz OVMSGPDZHDTEKI-UHFFFAOYSA-N 1 0 271.292 2.152 20 5 CEBDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000864460694 647015535 /nfs/dbraw/zinc/01/55/35/647015535.db2.gz ZDFMDVVPUDDTBB-HQJQHLMTSA-N 1 0 282.731 2.271 20 5 CEBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776274498 647044710 /nfs/dbraw/zinc/04/47/10/647044710.db2.gz IDYNCHFELHQBLL-CYBMUJFWSA-N 1 0 250.298 2.113 20 5 CEBDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585063 647074789 /nfs/dbraw/zinc/07/47/89/647074789.db2.gz RZDWJRYVQCMZFL-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO CC1(C)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589594 647075398 /nfs/dbraw/zinc/07/53/98/647075398.db2.gz TWUKZHXJYXMFQX-CYBMUJFWSA-N 1 0 264.325 2.360 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000776599201 647078190 /nfs/dbraw/zinc/07/81/90/647078190.db2.gz YBWZTGWZOZBVPH-HIFRSBDPSA-N 1 0 276.336 2.360 20 5 CEBDRO CC[NH+]1CCC(Nc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865416517 647284341 /nfs/dbraw/zinc/28/43/41/647284341.db2.gz AZZUHLQSYAOOPH-UHFFFAOYSA-N 1 0 297.330 2.122 20 5 CEBDRO COc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204806 647668436 /nfs/dbraw/zinc/66/84/36/647668436.db2.gz GGXUGSWIJXIDMA-AAEUAGOBSA-N 1 0 291.351 2.134 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866207984 647672281 /nfs/dbraw/zinc/67/22/81/647672281.db2.gz ZGIRSHHXURPKJB-QWHCGFSZSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000866259949 647700372 /nfs/dbraw/zinc/70/03/72/647700372.db2.gz RCGNRVQYUSNYLZ-QWRGUYRKSA-N 1 0 283.347 2.205 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000866264904 647704044 /nfs/dbraw/zinc/70/40/44/647704044.db2.gz UWJAAAVSRSOOCQ-ZUZCIYMTSA-N 1 0 296.342 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnccn2)cc1Cl ZINC000783652711 647744754 /nfs/dbraw/zinc/74/47/54/647744754.db2.gz PSTRAIGZJRVPPT-UHFFFAOYSA-N 1 0 292.726 2.371 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000866343230 647746748 /nfs/dbraw/zinc/74/67/48/647746748.db2.gz KQBZOVDTCVXRMF-BIGNPOOSSA-N 1 0 296.342 2.414 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CO[C@H](C)C1 ZINC000866382362 647765409 /nfs/dbraw/zinc/76/54/09/647765409.db2.gz WSBAAYUHPNQLOK-GIPNMCIBSA-N 1 0 282.315 2.432 20 5 CEBDRO Cc1nn(C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121051836 647782604 /nfs/dbraw/zinc/78/26/04/647782604.db2.gz OWIMQQGTKXVVEU-UHFFFAOYSA-N 1 0 260.297 2.306 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CCC1(C)C ZINC000866700077 647873273 /nfs/dbraw/zinc/87/32/73/647873273.db2.gz QPTVTGJSJVBSOH-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866716475 647879945 /nfs/dbraw/zinc/87/99/45/647879945.db2.gz OVBFNQQHWNCAFJ-BXUZGUMPSA-N 1 0 293.342 2.308 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C)C1 ZINC000786817421 648047309 /nfs/dbraw/zinc/04/73/09/648047309.db2.gz XNDLAQPUUAQTQL-ICDLMJIXSA-N 1 0 275.352 2.292 20 5 CEBDRO NC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000789553558 648316425 /nfs/dbraw/zinc/31/64/25/648316425.db2.gz BQAWVHQJRYCMBH-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO O=[N+]([O-])CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000791051977 648476220 /nfs/dbraw/zinc/47/62/20/648476220.db2.gz IZYPUHSUUPBLKN-HNNXBMFYSA-N 1 0 278.352 2.025 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000791997603 648594339 /nfs/dbraw/zinc/59/43/39/648594339.db2.gz ZRHXQOCAFXPUNG-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+](C)C ZINC000792271090 648633193 /nfs/dbraw/zinc/63/31/93/648633193.db2.gz NTHZVBXEBMWHHC-UHFFFAOYSA-N 1 0 296.323 2.102 20 5 CEBDRO CC[N@H+](CC1CCC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000794686491 648904064 /nfs/dbraw/zinc/90/40/64/648904064.db2.gz ALMNLOFIMFGKET-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870863816 648936569 /nfs/dbraw/zinc/93/65/69/648936569.db2.gz CPNDEVUAPQEPTQ-AULYBMBSSA-N 1 0 291.351 2.071 20 5 CEBDRO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CCC1(C)C ZINC000871152576 649013249 /nfs/dbraw/zinc/01/32/49/649013249.db2.gz ISACCYACMSMVRL-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO COC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017265 649242224 /nfs/dbraw/zinc/24/22/24/649242224.db2.gz XXSMJFQZLXFSKO-DTWKUNHWSA-N 1 0 256.277 2.419 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089988 649270396 /nfs/dbraw/zinc/27/03/96/649270396.db2.gz JCMYZFOEJAPLFB-LPEHRKFASA-N 1 0 268.288 2.155 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129830 649287725 /nfs/dbraw/zinc/28/77/25/649287725.db2.gz WXWCXTRZODJRRM-VCDKRKBESA-N 1 0 292.335 2.443 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCSC1 ZINC000873068931 649549946 /nfs/dbraw/zinc/54/99/46/649549946.db2.gz CVOGQQBLNJSVTI-CQSZACIVSA-N 1 0 296.392 2.169 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CC[S@](C)=O ZINC000873074819 649552352 /nfs/dbraw/zinc/55/23/52/649552352.db2.gz RHMWZHLLXWOVGJ-GIPWTMENSA-N 1 0 298.408 2.458 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000873102442 649558971 /nfs/dbraw/zinc/55/89/71/649558971.db2.gz PNXWXUAEFPXPJC-WDEREUQCSA-N 1 0 266.341 2.461 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](CO)CC2CC2)cccc1[N+](=O)[O-] ZINC000873138253 649567543 /nfs/dbraw/zinc/56/75/43/649567543.db2.gz PFJCPCKXPVUHHV-ZDUSSCGKSA-N 1 0 278.352 2.401 20 5 CEBDRO Cc1c(C[NH2+]CCC[C@H]2CCOC2=O)cccc1[N+](=O)[O-] ZINC000873159221 649574905 /nfs/dbraw/zinc/57/49/05/649574905.db2.gz GHSUPJVRRIJAMJ-LBPRGKRZSA-N 1 0 292.335 2.336 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000124582283 649704631 /nfs/dbraw/zinc/70/46/31/649704631.db2.gz VTWAYQUUQARCNG-BXKDBHETSA-N 1 0 267.304 2.046 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879570017 651323505 /nfs/dbraw/zinc/32/35/05/651323505.db2.gz DHXJMYOIQFZUPE-RISCZKNCSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccccc1[N+](=O)[O-] ZINC000880128961 651386712 /nfs/dbraw/zinc/38/67/12/651386712.db2.gz AQZBLFQICSMAEG-GJZGRUSLSA-N 1 0 275.352 2.263 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1csc([N+](=O)[O-])c1 ZINC000880134769 651388428 /nfs/dbraw/zinc/38/84/28/651388428.db2.gz VYZSCPRARCIVSG-NEPJUHHUSA-N 1 0 281.381 2.325 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000880134546 651388468 /nfs/dbraw/zinc/38/84/68/651388468.db2.gz TXEYSWGHABXBIA-CABCVRRESA-N 1 0 293.342 2.402 20 5 CEBDRO C[NH+](C)C1(CNc2ccnc(F)c2[N+](=O)[O-])CCCC1 ZINC000881799427 651886729 /nfs/dbraw/zinc/88/67/29/651886729.db2.gz FOKNSAOAJRLOJQ-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO CC[NH+]1CCC(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881842827 651899244 /nfs/dbraw/zinc/89/92/44/651899244.db2.gz ZDGKTGAJELTOQX-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO CON(C)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000883172695 652389100 /nfs/dbraw/zinc/38/91/00/652389100.db2.gz PSVGKXKIYXVUGS-UHFFFAOYSA-N 1 0 281.356 2.301 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCN1CC ZINC000883360839 652443337 /nfs/dbraw/zinc/44/33/37/652443337.db2.gz MSNTVQRPZIQCDN-CQSZACIVSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1F ZINC000133338742 652621303 /nfs/dbraw/zinc/62/13/03/652621303.db2.gz GBPGPEJYTBMXLD-LBPRGKRZSA-N 1 0 282.315 2.471 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000884039560 652647961 /nfs/dbraw/zinc/64/79/61/652647961.db2.gz SGVIRWHNDGOWLC-UHFFFAOYSA-N 1 0 293.367 2.459 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215983894 652963672 /nfs/dbraw/zinc/96/36/72/652963672.db2.gz ORYYRIUGRXQLLL-OCCSQVGLSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1Cl ZINC001164641409 719180466 /nfs/dbraw/zinc/18/04/66/719180466.db2.gz WBUSJUVLZPSPKX-UWVGGRQHSA-N 1 0 298.774 2.480 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+]CC[C@H]3F)ccc2c1 ZINC001168228502 806423499 /nfs/dbraw/zinc/42/34/99/806423499.db2.gz ZQYFDCOAHDCDKQ-YPMHNXCESA-N 1 0 290.298 2.255 20 5 CEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000159874796 806842558 /nfs/dbraw/zinc/84/25/58/806842558.db2.gz PHBWZPIGKZTSBY-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO CCOC(=O)c1cc(-n2cccc2C[NH3+])ccc1[N+](=O)[O-] ZINC001167595582 803177526 /nfs/dbraw/zinc/17/75/26/803177526.db2.gz FYADLTJXSYYWQZ-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000712556466 814766906 /nfs/dbraw/zinc/76/69/06/814766906.db2.gz KASYBDPRHQAFHK-JTQLQIEISA-N 1 0 272.308 2.259 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC001117752665 814943690 /nfs/dbraw/zinc/94/36/90/814943690.db2.gz NAQZKYZSKRNJRO-OLZOCXBDSA-N 1 0 299.415 2.153 20 5 CEBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218387089 803596045 /nfs/dbraw/zinc/59/60/45/803596045.db2.gz WZVAATYIRMEYCI-TVQRCGJNSA-N 1 0 258.277 2.487 20 5 CEBDRO C[NH2+]CCNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001167724008 803674680 /nfs/dbraw/zinc/67/46/80/803674680.db2.gz GCPSIGYKBYXNJA-UHFFFAOYSA-N 1 0 279.218 2.125 20 5 CEBDRO [NH3+]CCc1ccn(-c2cc3ccccc3c([N+](=O)[O-])c2)n1 ZINC001167732149 803697808 /nfs/dbraw/zinc/69/78/08/803697808.db2.gz OUDYTUHQHBALJU-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1SCCS1 ZINC000692904441 804423540 /nfs/dbraw/zinc/42/35/40/804423540.db2.gz MAWMSPSKRJHGBE-UHFFFAOYSA-N 1 0 270.379 2.491 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711705989 805227472 /nfs/dbraw/zinc/22/74/72/805227472.db2.gz JVKCYSOAUGAVQK-CMPLNLGQSA-N 1 0 282.731 2.340 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c(Cl)c1 ZINC000711703712 805227698 /nfs/dbraw/zinc/22/76/98/805227698.db2.gz CEYPQRWATMRQPZ-CMPLNLGQSA-N 1 0 282.731 2.340 20 5 CEBDRO CSC[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001119090813 815070418 /nfs/dbraw/zinc/07/04/18/815070418.db2.gz NYIZAWPRQICYML-GFCCVEGCSA-N 1 0 284.381 2.107 20 5 CEBDRO Cc1cccc(C(=O)NCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000698121186 806993198 /nfs/dbraw/zinc/99/31/98/806993198.db2.gz XBLGJJOABXVSGA-UHFFFAOYSA-N 1 0 279.340 2.152 20 5 CEBDRO Cc1cc(Cl)c(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168421755 807293013 /nfs/dbraw/zinc/29/30/13/807293013.db2.gz WRTXVOAFCUAWHK-UHFFFAOYSA-N 1 0 279.687 2.026 20 5 CEBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000716847173 815152625 /nfs/dbraw/zinc/15/26/25/815152625.db2.gz REXIMVQVCHCTBP-PWSUYJOCSA-N 1 0 282.340 2.243 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771842 808830976 /nfs/dbraw/zinc/83/09/76/808830976.db2.gz DQFCJYDLGLBWRU-LLVKDONJSA-N 1 0 289.339 2.367 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OC[C@@H]1CCCC[NH2+]C1 ZINC000700321325 809299908 /nfs/dbraw/zinc/29/99/08/809299908.db2.gz ZGSMWJHRKYYFJD-SECBINFHSA-N 1 0 285.731 2.412 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001120883796 815290731 /nfs/dbraw/zinc/29/07/31/815290731.db2.gz LULZSVIJAHEDQA-VXGBXAGGSA-N 1 0 292.339 2.037 20 5 CEBDRO CC[NH+](CC)CC[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001120942184 815299001 /nfs/dbraw/zinc/29/90/01/815299001.db2.gz BXPJOYAHWXKSMH-JTQLQIEISA-N 1 0 281.360 2.226 20 5 CEBDRO Cc1c(F)cnc(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001168762987 810111582 /nfs/dbraw/zinc/11/15/82/810111582.db2.gz CZJNYTOFRFPBOZ-UHFFFAOYSA-N 1 0 284.335 2.437 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001163776589 810191692 /nfs/dbraw/zinc/19/16/92/810191692.db2.gz FDPIRMAMTWGUDV-VIFPVBQESA-N 1 0 262.313 2.438 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)O[C@H](C)C2 ZINC001229976457 810521040 /nfs/dbraw/zinc/52/10/40/810521040.db2.gz RCNRFMRDTBDMBN-NEPJUHHUSA-N 1 0 278.372 2.262 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000712275089 810528928 /nfs/dbraw/zinc/52/89/28/810528928.db2.gz SPOAWTOSWUHZQN-LJWDBELGSA-N 1 0 296.754 2.451 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001122166853 815389269 /nfs/dbraw/zinc/38/92/69/815389269.db2.gz OKIRPQXYBWMECL-ZWNOBZJWSA-N 1 0 291.351 2.160 20 5 CEBDRO Cc1ccc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000714030921 810995277 /nfs/dbraw/zinc/99/52/77/810995277.db2.gz ZVCFPNVODVUSEQ-BETUJISGSA-N 1 0 264.325 2.106 20 5 CEBDRO O=C(NCC[C@@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001122508082 815419565 /nfs/dbraw/zinc/41/95/65/815419565.db2.gz GIUNWWHYTWQUMM-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977166 811306365 /nfs/dbraw/zinc/30/63/65/811306365.db2.gz IMVZTQZZXLEVDL-UPJWGTAASA-N 1 0 272.389 2.351 20 5 CEBDRO Cc1cccc(C(=[NH2+])N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168982929 811310015 /nfs/dbraw/zinc/31/00/15/811310015.db2.gz JGBXEUPLHWFPLC-WCQYABFASA-N 1 0 261.325 2.355 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001168959142 811314821 /nfs/dbraw/zinc/31/48/21/811314821.db2.gz UADSLITXLUIWHO-QWRGUYRKSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnccc2Cl)C1 ZINC001168963048 811315795 /nfs/dbraw/zinc/31/57/95/811315795.db2.gz NPQFVWKKKRCEMA-GXSJLCMTSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001168965274 811316528 /nfs/dbraw/zinc/31/65/28/811316528.db2.gz YXVOWWIEIITBBZ-MXWKQRLJSA-N 1 0 262.300 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001168965285 811317431 /nfs/dbraw/zinc/31/74/31/811317431.db2.gz YZBZPNNHQMWDSR-GHMZBOCLSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2ccncc2)C1 ZINC001168965950 811317515 /nfs/dbraw/zinc/31/75/15/811317515.db2.gz FDIXQXHNXCKWNB-KGLIPLIRSA-N 1 0 263.341 2.049 20 5 CEBDRO Cc1ccn2c(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cnc2c1 ZINC001168965000 811317563 /nfs/dbraw/zinc/31/75/63/811317563.db2.gz XBILMAIFISXFPT-STQMWFEESA-N 1 0 288.351 2.178 20 5 CEBDRO [NH3+]CCc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965893 811318002 /nfs/dbraw/zinc/31/80/02/811318002.db2.gz DHMJTFCSCCTUGQ-JSGCOSHPSA-N 1 0 263.341 2.045 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001168970647 811320591 /nfs/dbraw/zinc/32/05/91/811320591.db2.gz HZGYGYZJMYJOHT-UWVGGRQHSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC001168992420 811324354 /nfs/dbraw/zinc/32/43/54/811324354.db2.gz JVBNCUVIOPMFDK-BLLLJJGKSA-N 1 0 274.364 2.436 20 5 CEBDRO COc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168996926 811324544 /nfs/dbraw/zinc/32/45/44/811324544.db2.gz WSQAADBMXOGLFM-ZYHUDNBSSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(CC3CCC3)cn2)C1 ZINC001168998497 811326670 /nfs/dbraw/zinc/32/66/70/811326670.db2.gz NREMURIXVJDRTL-UONOGXRCSA-N 1 0 292.383 2.218 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008237 811332888 /nfs/dbraw/zinc/33/28/88/811332888.db2.gz SHHGMUSMBMJPSW-QPSCCSFWSA-N 1 0 283.416 2.140 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCCCCCO)C1 ZINC001168988326 811337892 /nfs/dbraw/zinc/33/78/92/811337892.db2.gz QWUKFQVHDAUBQB-KBPBESRZSA-N 1 0 272.389 2.354 20 5 CEBDRO COc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035968 811345159 /nfs/dbraw/zinc/34/51/59/811345159.db2.gz MJOQWYHQKMQSBX-SMDDNHRTSA-N 1 0 276.336 2.456 20 5 CEBDRO CCOC(=O)C[N@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169043504 811350725 /nfs/dbraw/zinc/35/07/25/811350725.db2.gz GXKFHIBUVYGTJB-GXTWGEPZSA-N 1 0 298.383 2.240 20 5 CEBDRO C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052546 811356335 /nfs/dbraw/zinc/35/63/35/811356335.db2.gz HDIQQQHQNWKEMP-QEJZJMRPSA-N 1 0 290.363 2.367 20 5 CEBDRO C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052548 811356774 /nfs/dbraw/zinc/35/67/74/811356774.db2.gz HDIQQQHQNWKEMP-YUELXQCFSA-N 1 0 290.363 2.367 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001169233267 811448260 /nfs/dbraw/zinc/44/82/60/811448260.db2.gz PQVSHEFEIKZPCA-VIFPVBQESA-N 1 0 283.291 2.348 20 5 CEBDRO [NH3+]Cc1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC001169726629 811627857 /nfs/dbraw/zinc/62/78/57/811627857.db2.gz XEDRFEKWMYXXDY-UHFFFAOYSA-N 1 0 268.276 2.392 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001170048386 812004729 /nfs/dbraw/zinc/00/47/29/812004729.db2.gz ZMMXPUPLGWANFH-LLVKDONJSA-N 1 0 287.319 2.148 20 5 CEBDRO Cc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000689239342 812144786 /nfs/dbraw/zinc/14/47/86/812144786.db2.gz KAIPRFNQRUGGHG-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CCC2COC2)c([N+](=O)[O-])c1 ZINC001170306224 812374774 /nfs/dbraw/zinc/37/47/74/812374774.db2.gz SJGUAKNRVHXHPB-NSHDSACASA-N 1 0 294.351 2.161 20 5 CEBDRO COc1ccc(C[C@H](C)N2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317895 812386141 /nfs/dbraw/zinc/38/61/41/812386141.db2.gz LTFCIDXQMNBWSN-NSHDSACASA-N 1 0 289.335 2.206 20 5 CEBDRO CCC1(Nc2nc3ccccc3cc2[N+](=O)[O-])C[NH2+]C1 ZINC001157785212 812458232 /nfs/dbraw/zinc/45/82/32/812458232.db2.gz VTAQDXURVWQSPC-UHFFFAOYSA-N 1 0 272.308 2.307 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158000285 812588581 /nfs/dbraw/zinc/58/85/81/812588581.db2.gz LHLCLISGDQYCRW-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO CC[C@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899721 815539395 /nfs/dbraw/zinc/53/93/95/815539395.db2.gz OYIZEZMARUBZFF-HIFRSBDPSA-N 1 0 278.352 2.203 20 5 CEBDRO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)COC1 ZINC001172898619 815539415 /nfs/dbraw/zinc/53/94/15/815539415.db2.gz IBCHXEDSWLFGQA-CYBMUJFWSA-N 1 0 276.336 2.221 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC001172901633 815539893 /nfs/dbraw/zinc/53/98/93/815539893.db2.gz PCRWGZCNOGFWLC-PJODQICGSA-N 1 0 290.363 2.203 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000217844586 813429131 /nfs/dbraw/zinc/42/91/31/813429131.db2.gz FFRVXHUTVZKWRW-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170870998 813568231 /nfs/dbraw/zinc/56/82/31/813568231.db2.gz WXYBWRNSFGGYLC-NSHDSACASA-N 1 0 273.720 2.026 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCO2)c1F ZINC001173179223 815616744 /nfs/dbraw/zinc/61/67/44/815616744.db2.gz OJCWRBZIMZINDV-NXEZZACHSA-N 1 0 298.314 2.052 20 5 CEBDRO Cc1c(NC[C@H]2CCCC[NH2+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171334764 814587811 /nfs/dbraw/zinc/58/78/11/814587811.db2.gz PQAXWSDOPWCMFF-SNVBAGLBSA-N 1 0 294.311 2.365 20 5 CEBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116202353 814839979 /nfs/dbraw/zinc/83/99/79/814839979.db2.gz JDIJZRKAJRTXJS-GHMZBOCLSA-N 1 0 284.385 2.007 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(COC2)C1 ZINC001173215887 815623872 /nfs/dbraw/zinc/62/38/72/815623872.db2.gz FTCNUZVHOXUMCZ-LLVKDONJSA-N 1 0 276.336 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCO1 ZINC001173217301 815625050 /nfs/dbraw/zinc/62/50/50/815625050.db2.gz SDTLRSOSXWLLQT-RISCZKNCSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001173224368 815627503 /nfs/dbraw/zinc/62/75/03/815627503.db2.gz FFCWOBMQFXWXQT-XBFCOCLRSA-N 1 0 296.342 2.178 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001173223100 815627941 /nfs/dbraw/zinc/62/79/41/815627941.db2.gz XQWYCNGHJFPCOK-TUKIKUTGSA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC001173229973 815631633 /nfs/dbraw/zinc/63/16/33/815631633.db2.gz WRAAIYYXQAIULW-SWLSCSKDSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001173233721 815632526 /nfs/dbraw/zinc/63/25/26/815632526.db2.gz MOUYFFHLZRDEBY-BNOWGMLFSA-N 1 0 288.347 2.437 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CC1)C1COC1 ZINC001173231909 815633082 /nfs/dbraw/zinc/63/30/82/815633082.db2.gz DNCSYNAFMBYJLV-NSHDSACASA-N 1 0 276.336 2.389 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC001173209453 815635396 /nfs/dbraw/zinc/63/53/96/815635396.db2.gz CBKXZVUVWXHKIU-OSAQELSMSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC1 ZINC000449080632 282091975 /nfs/dbraw/zinc/09/19/75/282091975.db2.gz XVKGYBJPRDZGBN-VXGBXAGGSA-N 1 0 264.325 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292567 346813555 /nfs/dbraw/zinc/81/35/55/346813555.db2.gz YMWICZQIUKRQRM-UTUOFQBUSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)N(C)C ZINC000449088419 282095476 /nfs/dbraw/zinc/09/54/76/282095476.db2.gz IENCGVRCLISDOV-MLGOLLRUSA-N 1 0 291.395 2.456 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127671004 187325881 /nfs/dbraw/zinc/32/58/81/187325881.db2.gz ZSUKTQIOOJOMDB-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079769200 343990059 /nfs/dbraw/zinc/99/00/59/343990059.db2.gz GWWOBYZPTOEPRE-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601330592 346822310 /nfs/dbraw/zinc/82/23/10/346822310.db2.gz UYXHTNQDADOYGU-KCJUWKMLSA-N 1 0 269.732 2.170 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335618 346824607 /nfs/dbraw/zinc/82/46/07/346824607.db2.gz WKWFIAYNUHWBFZ-UKRRQHHQSA-N 1 0 275.352 2.169 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794868 361859976 /nfs/dbraw/zinc/85/99/76/361859976.db2.gz NPZXMVANNWGKSE-MFKMUULPSA-N 1 0 279.340 2.160 20 5 CEBDRO C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000038088008 361985626 /nfs/dbraw/zinc/98/56/26/361985626.db2.gz VHHGNAARLDMTHE-SECBINFHSA-N 1 0 271.748 2.288 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080463950 344010540 /nfs/dbraw/zinc/01/05/40/344010540.db2.gz KKFKKXQXGPEJPH-DGCLKSJQSA-N 1 0 289.335 2.408 20 5 CEBDRO CCCC[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000125705762 187197492 /nfs/dbraw/zinc/19/74/92/187197492.db2.gz IVMQYRRGNRLYRT-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000080684717 344020477 /nfs/dbraw/zinc/02/04/77/344020477.db2.gz RYCUTDPWPMKSTO-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO CCN(CC)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045704836 362166035 /nfs/dbraw/zinc/16/60/35/362166035.db2.gz JAMXRRZLVNEABE-CYBMUJFWSA-N 1 0 279.384 2.457 20 5 CEBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668341 282261214 /nfs/dbraw/zinc/26/12/14/282261214.db2.gz FGNQCFIRHIUMQP-UHFFFAOYSA-N 1 0 274.324 2.235 20 5 CEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449507777 282263365 /nfs/dbraw/zinc/26/33/65/282263365.db2.gz GAKFYZYBGACGOW-MNOVXSKESA-N 1 0 298.364 2.478 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000038095845 343433742 /nfs/dbraw/zinc/43/37/42/343433742.db2.gz KACUZJCLTPBFOD-GFCCVEGCSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000041911906 343444044 /nfs/dbraw/zinc/44/40/44/343444044.db2.gz NKXPAPYCUUJWAX-NSHDSACASA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H](F)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845998 136381047 /nfs/dbraw/zinc/38/10/47/136381047.db2.gz YDSJYRFPAMCILT-LBPRGKRZSA-N 1 0 281.331 2.465 20 5 CEBDRO CC(=O)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000228261336 136389520 /nfs/dbraw/zinc/38/95/20/136389520.db2.gz FWRXTIYLUCSSLM-CYBMUJFWSA-N 1 0 289.335 2.082 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000048775709 343532368 /nfs/dbraw/zinc/53/23/68/343532368.db2.gz FFDKYFGBZXBJOR-UHFFFAOYSA-N 1 0 275.352 2.122 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000052128386 343556455 /nfs/dbraw/zinc/55/64/55/343556455.db2.gz OLROOZJAZMFVDH-UHFFFAOYSA-N 1 0 250.298 2.315 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971433 346947101 /nfs/dbraw/zinc/94/71/01/346947101.db2.gz AUOKLYAAMNCWAO-PHIMTYICSA-N 1 0 282.727 2.326 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000057838779 343638744 /nfs/dbraw/zinc/63/87/44/343638744.db2.gz BKDVIUUXLNGRFB-LLVKDONJSA-N 1 0 294.311 2.033 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057159548 343625974 /nfs/dbraw/zinc/62/59/74/343625974.db2.gz HDHNEZMMXIUYFO-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000063490202 343678174 /nfs/dbraw/zinc/67/81/74/343678174.db2.gz QXIOLMXWKFXHHJ-GFCCVEGCSA-N 1 0 291.351 2.055 20 5 CEBDRO CCOC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000060483869 343659119 /nfs/dbraw/zinc/65/91/19/343659119.db2.gz DUYUFMOYDREFLY-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000069137615 343781324 /nfs/dbraw/zinc/78/13/24/343781324.db2.gz FMLGIVGHUOPEIO-LBPRGKRZSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604519 343858846 /nfs/dbraw/zinc/85/88/46/343858846.db2.gz XWWICZMPJNRHNC-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)C1 ZINC000075617088 343859318 /nfs/dbraw/zinc/85/93/18/343859318.db2.gz LTYWIZHASTUFCP-QWRGUYRKSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1cnc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000078664038 343960364 /nfs/dbraw/zinc/96/03/64/343960364.db2.gz BFRSBEONRLJVIA-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000122004074 344305000 /nfs/dbraw/zinc/30/50/00/344305000.db2.gz MJJZGCOTNGEIBV-JTQLQIEISA-N 1 0 252.314 2.264 20 5 CEBDRO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122628691 344307620 /nfs/dbraw/zinc/30/76/20/344307620.db2.gz KQILWYNNXYKCKT-MFKMUULPSA-N 1 0 292.339 2.186 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000153704703 344430324 /nfs/dbraw/zinc/43/03/24/344430324.db2.gz YLNAWFCWVMIMMX-HNNXBMFYSA-N 1 0 292.335 2.216 20 5 CEBDRO CC(C)(C)NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134507588 344374956 /nfs/dbraw/zinc/37/49/56/344374956.db2.gz TYWCVOOISWLBCY-UHFFFAOYSA-N 1 0 293.367 2.032 20 5 CEBDRO C[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963340 362388069 /nfs/dbraw/zinc/38/80/69/362388069.db2.gz DDVSHHBUJWSSDQ-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000159342898 344454227 /nfs/dbraw/zinc/45/42/27/344454227.db2.gz MTSVDXJXTHBTHQ-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000050105123 362401775 /nfs/dbraw/zinc/40/17/75/362401775.db2.gz UCMVYFIHYCWWSN-CQSZACIVSA-N 1 0 278.352 2.374 20 5 CEBDRO CC(C)[N@H+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000225708024 344547333 /nfs/dbraw/zinc/54/73/33/344547333.db2.gz DVQDPPIRGLKLTJ-UHFFFAOYSA-N 1 0 252.318 2.132 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227535218 344553823 /nfs/dbraw/zinc/55/38/23/344553823.db2.gz GPPSUXDGOQVRIU-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCC(O)CC2)cc1 ZINC000227772199 344556367 /nfs/dbraw/zinc/55/63/67/344556367.db2.gz PQZNFWKWKWAYNP-UHFFFAOYSA-N 1 0 278.352 2.278 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000227858123 344556950 /nfs/dbraw/zinc/55/69/50/344556950.db2.gz LDCHHMMTZAAANW-SECBINFHSA-N 1 0 295.314 2.391 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865160 344557008 /nfs/dbraw/zinc/55/70/08/344557008.db2.gz QKSDEZKFBQLHJK-LLVKDONJSA-N 1 0 287.323 2.044 20 5 CEBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000235447874 344591015 /nfs/dbraw/zinc/59/10/15/344591015.db2.gz GOADVMOCCWYCBB-CQSZACIVSA-N 1 0 264.325 2.296 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000127251183 187292052 /nfs/dbraw/zinc/29/20/52/187292052.db2.gz ZKCHYQQORFYSJH-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000307950164 344725793 /nfs/dbraw/zinc/72/57/93/344725793.db2.gz RXNZIHFBUHUFFB-SNVBAGLBSA-N 1 0 292.257 2.306 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000312159932 344737611 /nfs/dbraw/zinc/73/76/11/344737611.db2.gz JEPYMIGYNRQKEX-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313842009 344743386 /nfs/dbraw/zinc/74/33/86/344743386.db2.gz QJIXCZATBBAXPC-CYBMUJFWSA-N 1 0 293.302 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCC3)CC2)cn1 ZINC000602526893 347067196 /nfs/dbraw/zinc/06/71/96/347067196.db2.gz HPUDRQXVTPARDM-UHFFFAOYSA-N 1 0 290.367 2.348 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457190 344755213 /nfs/dbraw/zinc/75/52/13/344755213.db2.gz FTVDZCCIZPLLSB-CYBMUJFWSA-N 1 0 263.341 2.169 20 5 CEBDRO CCC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457191 344755229 /nfs/dbraw/zinc/75/52/29/344755229.db2.gz FTVDZCCIZPLLSB-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000404297807 344879067 /nfs/dbraw/zinc/87/90/67/344879067.db2.gz YATUIOVAHLEXOZ-ONGXEEELSA-N 1 0 297.380 2.246 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407200937 344885949 /nfs/dbraw/zinc/88/59/49/344885949.db2.gz ASPGSFGXSOHZPI-CHWSQXEVSA-N 1 0 275.308 2.064 20 5 CEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000127275192 187294062 /nfs/dbraw/zinc/29/40/62/187294062.db2.gz WWUFWSHFEZBONG-ZDUSSCGKSA-N 1 0 297.742 2.105 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783891 345021835 /nfs/dbraw/zinc/02/18/35/345021835.db2.gz HCGWVRPVJZABPA-KOLCDFICSA-N 1 0 278.308 2.254 20 5 CEBDRO [NH3+]C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000127374985 187300405 /nfs/dbraw/zinc/30/04/05/187300405.db2.gz HDSAFWSOEKHQQT-AWEZNQCLSA-N 1 0 291.351 2.232 20 5 CEBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000590723755 345168543 /nfs/dbraw/zinc/16/85/43/345168543.db2.gz DBKXUYWWGBTBQJ-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000591243841 345233856 /nfs/dbraw/zinc/23/38/56/345233856.db2.gz BSMCEZPKYDTASC-NWDGAFQWSA-N 1 0 291.351 2.080 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000591272467 345236495 /nfs/dbraw/zinc/23/64/95/345236495.db2.gz POPHNQKEXWNGJI-NSHDSACASA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000591442879 345256323 /nfs/dbraw/zinc/25/63/23/345256323.db2.gz FQVXRJKADHXJAX-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000591431133 345251612 /nfs/dbraw/zinc/25/16/12/345251612.db2.gz APFJDFACMHWRNS-NEPJUHHUSA-N 1 0 298.346 2.474 20 5 CEBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437705 345254170 /nfs/dbraw/zinc/25/41/70/345254170.db2.gz JCKOFIDQCKLARH-BXUZGUMPSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972258 345208621 /nfs/dbraw/zinc/20/86/21/345208621.db2.gz ASNNUYAGZWADLQ-HIFRSBDPSA-N 1 0 276.336 2.248 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000591672929 345273130 /nfs/dbraw/zinc/27/31/30/345273130.db2.gz WPQHSZFOYHUUKX-VIFPVBQESA-N 1 0 299.277 2.087 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591673125 345273173 /nfs/dbraw/zinc/27/31/73/345273173.db2.gz OOUWOWHMEGJGQW-GWCFXTLKSA-N 1 0 291.351 2.078 20 5 CEBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000602579467 347086227 /nfs/dbraw/zinc/08/62/27/347086227.db2.gz SZRYCQVKNQWLTB-SNVBAGLBSA-N 1 0 295.314 2.077 20 5 CEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374396 345347299 /nfs/dbraw/zinc/34/72/99/345347299.db2.gz DTJSUWNEFWYGCG-YPMHNXCESA-N 1 0 296.367 2.490 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000127419070 187304655 /nfs/dbraw/zinc/30/46/55/187304655.db2.gz WMJIBNUCRSJVTA-CQSZACIVSA-N 1 0 297.330 2.227 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000593688129 345521551 /nfs/dbraw/zinc/52/15/51/345521551.db2.gz WJUPPKQHGRTOSP-WCQYABFASA-N 1 0 284.331 2.226 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CCF)CCC2 ZINC000593718698 345526521 /nfs/dbraw/zinc/52/65/21/345526521.db2.gz PCNHBTMGSKZQES-RISCZKNCSA-N 1 0 282.315 2.282 20 5 CEBDRO CCc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593914052 345551905 /nfs/dbraw/zinc/55/19/05/345551905.db2.gz GABODKWYLZHMEG-UHFFFAOYSA-N 1 0 291.351 2.016 20 5 CEBDRO CC[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000593971088 345558232 /nfs/dbraw/zinc/55/82/32/345558232.db2.gz UCNPMYYKBCGPOE-RISCZKNCSA-N 1 0 291.351 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCOC1 ZINC000594502061 345639137 /nfs/dbraw/zinc/63/91/37/345639137.db2.gz CJSOCLMQWWBXMA-GXFFZTMASA-N 1 0 262.309 2.208 20 5 CEBDRO [NH3+]C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000594583474 345651405 /nfs/dbraw/zinc/65/14/05/345651405.db2.gz OAZYLPRWOMHPAD-SECBINFHSA-N 1 0 297.664 2.227 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000594592639 345653658 /nfs/dbraw/zinc/65/36/58/345653658.db2.gz VFBYRTLZTHXRGN-DTORHVGOSA-N 1 0 282.319 2.068 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000594599264 345656470 /nfs/dbraw/zinc/65/64/70/345656470.db2.gz IPVKQVHSAXDYDL-STQMWFEESA-N 1 0 276.340 2.419 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594708827 345675939 /nfs/dbraw/zinc/67/59/39/345675939.db2.gz CBILISHKIUSSAI-LALPHHSUSA-N 1 0 294.351 2.297 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000595068072 345739021 /nfs/dbraw/zinc/73/90/21/345739021.db2.gz ODLMRXYGRYACGX-GHMZBOCLSA-N 1 0 294.351 2.415 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595309323 345759768 /nfs/dbraw/zinc/75/97/68/345759768.db2.gz RFAXLMNCAFTBPG-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000594926874 345705138 /nfs/dbraw/zinc/70/51/38/345705138.db2.gz XBJIJRCUAQXISA-NWDGAFQWSA-N 1 0 250.298 2.252 20 5 CEBDRO COC[C@@H](CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000594956164 345715784 /nfs/dbraw/zinc/71/57/84/345715784.db2.gz VKRRXYABJAHLFU-BRLPQQTGSA-N 1 0 294.351 2.249 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594994475 345723406 /nfs/dbraw/zinc/72/34/06/345723406.db2.gz GBZGHJZRLOMHGZ-GFCCVEGCSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000595009122 345725938 /nfs/dbraw/zinc/72/59/38/345725938.db2.gz ACTHUXZUNUQKTJ-GFCCVEGCSA-N 1 0 292.335 2.405 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000595032051 345731474 /nfs/dbraw/zinc/73/14/74/345731474.db2.gz GJQWBLCZJGCKFH-NSHDSACASA-N 1 0 294.351 2.417 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000595050724 345734779 /nfs/dbraw/zinc/73/47/79/345734779.db2.gz JSHQNHHMALWOJA-HZMBPMFUSA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000595454711 345786712 /nfs/dbraw/zinc/78/67/12/345786712.db2.gz OGGVGTZTNJCYBI-MFKMUULPSA-N 1 0 282.315 2.375 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)n1 ZINC000595479245 345792587 /nfs/dbraw/zinc/79/25/87/345792587.db2.gz DXNRDWUXGPGROM-CLLJXQQHSA-N 1 0 290.367 2.474 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000595941450 345916239 /nfs/dbraw/zinc/91/62/39/345916239.db2.gz QAVLHBNPJHUECT-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438627 232279587 /nfs/dbraw/zinc/27/95/87/232279587.db2.gz HUMCPHFIXLCROS-CMPLNLGQSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[NH+]1CCN(CCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596076342 345934258 /nfs/dbraw/zinc/93/42/58/345934258.db2.gz NYRZABKUAQSXDS-UHFFFAOYSA-N 1 0 298.412 2.014 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNCc1ccccc1[N+](=O)[O-] ZINC000596103572 345940647 /nfs/dbraw/zinc/94/06/47/345940647.db2.gz MOKMTUGZAFHSLR-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000596247369 345980157 /nfs/dbraw/zinc/98/01/57/345980157.db2.gz NUPYSJCGTMJILB-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO CC(C)C[N@H+](C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596288478 345991900 /nfs/dbraw/zinc/99/19/00/345991900.db2.gz BRGAJUFLXKFTAM-UHFFFAOYSA-N 1 0 282.344 2.085 20 5 CEBDRO Cc1cc(NCCN2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433992 346022595 /nfs/dbraw/zinc/02/25/95/346022595.db2.gz WCNXOMWLJMVEGM-UWVGGRQHSA-N 1 0 299.396 2.486 20 5 CEBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596558944 346054858 /nfs/dbraw/zinc/05/48/58/346054858.db2.gz VDRWGQWWZFBMDJ-AWEZNQCLSA-N 1 0 298.346 2.098 20 5 CEBDRO C[NH2+]C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654349 346072952 /nfs/dbraw/zinc/07/29/52/346072952.db2.gz JRAKSPJYSNFGMM-IINYFYTJSA-N 1 0 263.341 2.170 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597856840 346239145 /nfs/dbraw/zinc/23/91/45/346239145.db2.gz BCZVEJXJYSGRKL-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO CCn1nncc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598985242 346441859 /nfs/dbraw/zinc/44/18/59/346441859.db2.gz CUNVHWBFSNNKJB-ALCCZGGFSA-N 1 0 287.323 2.009 20 5 CEBDRO COc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599110120 346461103 /nfs/dbraw/zinc/46/11/03/346461103.db2.gz HKJQTHBYHQRSMB-DTORHVGOSA-N 1 0 299.758 2.443 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599128397 346464446 /nfs/dbraw/zinc/46/44/46/346464446.db2.gz ZYVQPIYWNJYMDK-NSHDSACASA-N 1 0 296.396 2.292 20 5 CEBDRO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCOC1 ZINC000602600263 347095027 /nfs/dbraw/zinc/09/50/27/347095027.db2.gz HMGXGIQFXXYWRU-AWEZNQCLSA-N 1 0 291.307 2.395 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)Cc2ccccc2)cs1 ZINC000063218897 362762764 /nfs/dbraw/zinc/76/27/64/362762764.db2.gz NUYQVLHPFLSNMI-CYBMUJFWSA-N 1 0 292.360 2.350 20 5 CEBDRO COc1cc(C[N@H+](C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000599571726 346540578 /nfs/dbraw/zinc/54/05/78/346540578.db2.gz SNDWWROCQCLNME-UHFFFAOYSA-N 1 0 280.324 2.072 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599634655 346549792 /nfs/dbraw/zinc/54/97/92/346549792.db2.gz FNGJMKRJVLRKSV-DZGCQCFKSA-N 1 0 276.336 2.189 20 5 CEBDRO Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600190848 346619207 /nfs/dbraw/zinc/61/92/07/346619207.db2.gz IZFUOZMTHMLJAD-BETUJISGSA-N 1 0 298.346 2.447 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000601127225 346761682 /nfs/dbraw/zinc/76/16/82/346761682.db2.gz CJXWFJDEZMKLPY-PSASIEDQSA-N 1 0 280.303 2.166 20 5 CEBDRO C[C@]1(O)CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125958 346761782 /nfs/dbraw/zinc/76/17/82/346761782.db2.gz STSXPVZSPPZWFW-AWEZNQCLSA-N 1 0 273.292 2.104 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000128453177 187371618 /nfs/dbraw/zinc/37/16/18/187371618.db2.gz RTZJLHOQOIYIEO-JQWIXIFHSA-N 1 0 250.298 2.252 20 5 CEBDRO CCC(CC)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336812056 365851805 /nfs/dbraw/zinc/85/18/05/365851805.db2.gz PXGREZNDWXYGJL-UHFFFAOYSA-N 1 0 270.304 2.375 20 5 CEBDRO CC(C)=CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148420 346770069 /nfs/dbraw/zinc/77/00/69/346770069.db2.gz BMEJCGUWLROZHL-AWEZNQCLSA-N 1 0 264.325 2.358 20 5 CEBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601169886 346775544 /nfs/dbraw/zinc/77/55/44/346775544.db2.gz QHTHBYKOGDQNJS-AWEZNQCLSA-N 1 0 294.330 2.051 20 5 CEBDRO C[C@H](CCO)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601171000 346776680 /nfs/dbraw/zinc/77/66/80/346776680.db2.gz YUGVZXGQUMFAJG-NSHDSACASA-N 1 0 289.335 2.385 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601032169 346736103 /nfs/dbraw/zinc/73/61/03/346736103.db2.gz ALANPCPUUJLMRF-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO Cc1cc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601184297 346779641 /nfs/dbraw/zinc/77/96/41/346779641.db2.gz IZQQBCDGWOZDFZ-OLZOCXBDSA-N 1 0 275.352 2.291 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000601099654 346752602 /nfs/dbraw/zinc/75/26/02/346752602.db2.gz CUDKWARTMJIEJV-NSHDSACASA-N 1 0 294.286 2.437 20 5 CEBDRO C[N@@H+]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099821 346752684 /nfs/dbraw/zinc/75/26/84/346752684.db2.gz GHTUYABNMXSPAF-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO C[NH+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450207103 282508829 /nfs/dbraw/zinc/50/88/29/282508829.db2.gz BHXKSBALKCNJQM-UHFFFAOYSA-N 1 0 292.364 2.114 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000601227579 346795637 /nfs/dbraw/zinc/79/56/37/346795637.db2.gz VMWBEERAPVPGJV-MFKMUULPSA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000601227559 346795826 /nfs/dbraw/zinc/79/58/26/346795826.db2.gz VCISMGSGSRAOJU-GWCFXTLKSA-N 1 0 292.339 2.151 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000601229585 346796299 /nfs/dbraw/zinc/79/62/99/346796299.db2.gz UWSIZXYBMXBAOC-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602689551 347148423 /nfs/dbraw/zinc/14/84/23/347148423.db2.gz FGCICKCWNXRFDS-ONGXEEELSA-N 1 0 291.307 2.393 20 5 CEBDRO COCC[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602693781 347151680 /nfs/dbraw/zinc/15/16/80/347151680.db2.gz GZKKHUONIGJGSZ-LBPRGKRZSA-N 1 0 266.341 2.400 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000602780628 347195493 /nfs/dbraw/zinc/19/54/93/347195493.db2.gz BBEDMCUEFQINOE-GFCCVEGCSA-N 1 0 290.323 2.182 20 5 CEBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784168 347197317 /nfs/dbraw/zinc/19/73/17/347197317.db2.gz QNTGOHJWRXXKRC-CMPLNLGQSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(C)C)C1 ZINC000602786179 347198013 /nfs/dbraw/zinc/19/80/13/347198013.db2.gz CHANQLLPYAWEBW-LBPRGKRZSA-N 1 0 266.345 2.078 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602796644 347202579 /nfs/dbraw/zinc/20/25/79/347202579.db2.gz CDGDBOJSGDCCSJ-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800103 347204134 /nfs/dbraw/zinc/20/41/34/347204134.db2.gz JNSYWFJHPLHKAS-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732083 347176101 /nfs/dbraw/zinc/17/61/01/347176101.db2.gz NNHUZUPZVXCFEB-OQMKEHIESA-N 1 0 290.363 2.438 20 5 CEBDRO CC(C)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733055 347177110 /nfs/dbraw/zinc/17/71/10/347177110.db2.gz SATHIJDSGWDQRF-CQSZACIVSA-N 1 0 266.341 2.438 20 5 CEBDRO CC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602761909 347187693 /nfs/dbraw/zinc/18/76/93/347187693.db2.gz ZRLLOKKBHZVDHH-GFCCVEGCSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCCC1(C)C ZINC000602817719 347212002 /nfs/dbraw/zinc/21/20/02/347212002.db2.gz YTSKFWHQHRRZDP-NSHDSACASA-N 1 0 266.345 2.268 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602930327 347250552 /nfs/dbraw/zinc/25/05/52/347250552.db2.gz DKFBDURVSDGHFC-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000344443183 136720197 /nfs/dbraw/zinc/72/01/97/136720197.db2.gz SIVJFWOOYKTMOH-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085985265 179211300 /nfs/dbraw/zinc/21/13/00/179211300.db2.gz NGBUOXQQGUFQKD-OCCSQVGLSA-N 1 0 294.351 2.244 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203320 347308497 /nfs/dbraw/zinc/30/84/97/347308497.db2.gz NWLPXBIRWKJGLO-CYBMUJFWSA-N 1 0 293.302 2.030 20 5 CEBDRO CC(C)C[C@H](CNc1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000603845737 347391466 /nfs/dbraw/zinc/39/14/66/347391466.db2.gz JZYOGWGZHPWZBN-LLVKDONJSA-N 1 0 266.345 2.378 20 5 CEBDRO O=[N+]([O-])c1sccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000608909395 347623946 /nfs/dbraw/zinc/62/39/46/347623946.db2.gz MYCKWOLGFOWTNL-JTQLQIEISA-N 1 0 267.354 2.331 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000609547492 347642737 /nfs/dbraw/zinc/64/27/37/347642737.db2.gz HCVUGFRQNZLCBX-SMDDNHRTSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610447583 347681709 /nfs/dbraw/zinc/68/17/09/347681709.db2.gz KAOKEQJZVBGGOV-JTQLQIEISA-N 1 0 254.334 2.158 20 5 CEBDRO CC(C)C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610732836 347707716 /nfs/dbraw/zinc/70/77/16/347707716.db2.gz CAFQINOEZPIJEY-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084400 347737486 /nfs/dbraw/zinc/73/74/86/347737486.db2.gz PNGKSIDJSNQDOT-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611222047 347753378 /nfs/dbraw/zinc/75/33/78/347753378.db2.gz SDCODHVATUZIRE-NEPJUHHUSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)n1 ZINC000611616627 347799297 /nfs/dbraw/zinc/79/92/97/347799297.db2.gz IMQLZSMJTKFLBV-UHFFFAOYSA-N 1 0 264.329 2.113 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn[nH]c1 ZINC000611498915 347786483 /nfs/dbraw/zinc/78/64/83/347786483.db2.gz GCGWMOHKERPVRM-UHFFFAOYSA-N 1 0 280.715 2.304 20 5 CEBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCOC1 ZINC000611515339 347789305 /nfs/dbraw/zinc/78/93/05/347789305.db2.gz KHAYSHFKZQBEJD-ZDUSSCGKSA-N 1 0 294.351 2.462 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000612404558 347880933 /nfs/dbraw/zinc/88/09/33/347880933.db2.gz RBPYMZFUPKBJKB-UHFFFAOYSA-N 1 0 292.335 2.418 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCOC1 ZINC000273356378 192124462 /nfs/dbraw/zinc/12/44/62/192124462.db2.gz CDLXTLONCWILDI-ZDUSSCGKSA-N 1 0 250.298 2.172 20 5 CEBDRO CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087523357 179440174 /nfs/dbraw/zinc/44/01/74/179440174.db2.gz AIPAUOUTOYUTML-GWCFXTLKSA-N 1 0 279.340 2.003 20 5 CEBDRO Cc1c(CNC(=O)[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000616490619 348510506 /nfs/dbraw/zinc/51/05/06/348510506.db2.gz ODHPKJFPYFPKJQ-CQSZACIVSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000273450051 192155440 /nfs/dbraw/zinc/15/54/40/192155440.db2.gz YOPJDPWLHPNLQY-BBRMVZONSA-N 1 0 289.379 2.429 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000619479234 349187639 /nfs/dbraw/zinc/18/76/39/349187639.db2.gz INRJVTTXVBOQOW-GFCCVEGCSA-N 1 0 295.387 2.086 20 5 CEBDRO CC[C@@H](C)C[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551663 180002270 /nfs/dbraw/zinc/00/22/70/180002270.db2.gz HZCJTRSQIKWCKU-GFCCVEGCSA-N 1 0 281.356 2.125 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774134 180038639 /nfs/dbraw/zinc/03/86/39/180038639.db2.gz XQKSTVAMQVAVBC-JQWIXIFHSA-N 1 0 280.324 2.433 20 5 CEBDRO C[NH+]1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105454419 186057521 /nfs/dbraw/zinc/05/75/21/186057521.db2.gz YSAGZQQCTPZWJS-UHFFFAOYSA-N 1 0 283.397 2.478 20 5 CEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000091845840 180269837 /nfs/dbraw/zinc/26/98/37/180269837.db2.gz NDUVAWCIWXOAMX-UHFFFAOYSA-N 1 0 292.339 2.328 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091985330 180297317 /nfs/dbraw/zinc/29/73/17/180297317.db2.gz AWCKBYWKSDPASK-WMADIVHISA-N 1 0 292.335 2.349 20 5 CEBDRO CCc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000092371839 180370731 /nfs/dbraw/zinc/37/07/31/180370731.db2.gz JDVXTYLMYPRZJE-UHFFFAOYSA-N 1 0 274.324 2.181 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000106408551 186114415 /nfs/dbraw/zinc/11/44/15/186114415.db2.gz NXDCMOMYKWSEOQ-CYBMUJFWSA-N 1 0 279.340 2.428 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352193130 219352653 /nfs/dbraw/zinc/35/26/53/219352653.db2.gz BFBCTFAVYFMKHJ-ZDUSSCGKSA-N 1 0 280.324 2.084 20 5 CEBDRO Cc1c(C[NH2+][C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000092395195 180376831 /nfs/dbraw/zinc/37/68/31/180376831.db2.gz PBKKWKWSGVBPTJ-GFCCVEGCSA-N 1 0 252.314 2.010 20 5 CEBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000106908641 186149632 /nfs/dbraw/zinc/14/96/32/186149632.db2.gz FITLRJFFFILWIW-FZMZJTMJSA-N 1 0 293.367 2.358 20 5 CEBDRO CCC(CC)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109130247 186244049 /nfs/dbraw/zinc/24/40/49/186244049.db2.gz QZWRDZDHJRMTGE-AWEZNQCLSA-N 1 0 291.351 2.478 20 5 CEBDRO Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000110646737 186309074 /nfs/dbraw/zinc/30/90/74/186309074.db2.gz IGIAGGRKOFWEPT-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO COC(=O)c1coc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000130738075 365986324 /nfs/dbraw/zinc/98/63/24/365986324.db2.gz AXVZUMJLPANQNV-UHFFFAOYSA-N 1 0 290.275 2.264 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339786452 215341053 /nfs/dbraw/zinc/34/10/53/215341053.db2.gz YFNNPBUCDGTTJX-NSHDSACASA-N 1 0 294.355 2.447 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074505 363026953 /nfs/dbraw/zinc/02/69/53/363026953.db2.gz SKIOAHYSDCMWAM-DGCLKSJQSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175699 363048625 /nfs/dbraw/zinc/04/86/25/363048625.db2.gz VKRQCCQCUNLTOL-BXUZGUMPSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000070359541 363075918 /nfs/dbraw/zinc/07/59/18/363075918.db2.gz VGDZWGAGDFCHMD-AAEUAGOBSA-N 1 0 264.325 2.294 20 5 CEBDRO Cn1ncc(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000131205919 366031522 /nfs/dbraw/zinc/03/15/22/366031522.db2.gz IRLPIDQQLWMWPI-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO COCC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000291659169 198054241 /nfs/dbraw/zinc/05/42/41/198054241.db2.gz DWDALSXWMHIHKP-UHFFFAOYSA-N 1 0 258.343 2.419 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000070495914 363090866 /nfs/dbraw/zinc/09/08/66/363090866.db2.gz OYFPWWPPVPMQBH-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000123165583 187074828 /nfs/dbraw/zinc/07/48/28/187074828.db2.gz NIIPDWGTRUWYEX-AAEUAGOBSA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123176899 187075457 /nfs/dbraw/zinc/07/54/57/187075457.db2.gz CITZOJRSOVBZHX-LSDHHAIUSA-N 1 0 294.351 2.441 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000122716684 187047389 /nfs/dbraw/zinc/04/73/89/187047389.db2.gz BTGCLQASYIBNLG-SNVBAGLBSA-N 1 0 285.369 2.102 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000070573913 363096673 /nfs/dbraw/zinc/09/66/73/363096673.db2.gz TWPXREBAJKNYLO-MNOVXSKESA-N 1 0 277.324 2.359 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000123270560 187081306 /nfs/dbraw/zinc/08/13/06/187081306.db2.gz YTNBQSGPPSRBKB-OCCSQVGLSA-N 1 0 289.379 2.352 20 5 CEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000123706164 187105310 /nfs/dbraw/zinc/10/53/10/187105310.db2.gz FIQNDYSXJOGJNT-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000337215812 366082386 /nfs/dbraw/zinc/08/23/86/366082386.db2.gz HBTUPMJWXIXHLS-ZYHUDNBSSA-N 1 0 280.324 2.118 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCC1 ZINC000072722368 363163559 /nfs/dbraw/zinc/16/35/59/363163559.db2.gz WWYIVKPSZMUDGR-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000271535150 191197236 /nfs/dbraw/zinc/19/72/36/191197236.db2.gz SPVGHQNZABCYJA-DGCLKSJQSA-N 1 0 291.351 2.255 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135128008 187798606 /nfs/dbraw/zinc/79/86/06/187798606.db2.gz BBMLLPLEIGWQBG-LBPRGKRZSA-N 1 0 293.367 2.422 20 5 CEBDRO C[C@@H](CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151720463 187976255 /nfs/dbraw/zinc/97/62/55/187976255.db2.gz NXXKFTFBHMZUHP-RISCZKNCSA-N 1 0 278.352 2.134 20 5 CEBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000153991996 188116173 /nfs/dbraw/zinc/11/61/73/188116173.db2.gz JJFOMCDZTBQOEX-MFKMUULPSA-N 1 0 282.365 2.066 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000154085917 188122872 /nfs/dbraw/zinc/12/28/72/188122872.db2.gz TYXPBCXQEGEVEO-ZDUSSCGKSA-N 1 0 287.323 2.023 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155049563 188179060 /nfs/dbraw/zinc/17/90/60/188179060.db2.gz LTDJGYWSRIZEAM-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000292960798 198476574 /nfs/dbraw/zinc/47/65/74/198476574.db2.gz JLUNHQVYQYCEOS-AWEZNQCLSA-N 1 0 280.324 2.118 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132021353 366109778 /nfs/dbraw/zinc/10/97/78/366109778.db2.gz MTOGWPZDQAWYSC-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713362 191286686 /nfs/dbraw/zinc/28/66/86/191286686.db2.gz JMUNHFDEPNHMGN-VXGBXAGGSA-N 1 0 282.340 2.031 20 5 CEBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000161153412 188511553 /nfs/dbraw/zinc/51/15/53/188511553.db2.gz MXDSIWSMIIGPDQ-MRVPVSSYSA-N 1 0 272.732 2.497 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132756946 366168740 /nfs/dbraw/zinc/16/87/40/366168740.db2.gz ZYXBFGUSNXFCQQ-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO CCSCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000169227264 188655347 /nfs/dbraw/zinc/65/53/47/188655347.db2.gz XVEAQPREMHUQQH-UHFFFAOYSA-N 1 0 254.355 2.480 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451537008 283024762 /nfs/dbraw/zinc/02/47/62/283024762.db2.gz CAJPSGXOBJGHII-SWLSCSKDSA-N 1 0 278.352 2.494 20 5 CEBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451553433 283032902 /nfs/dbraw/zinc/03/29/02/283032902.db2.gz YQSSFYCTWUQNJI-SWLSCSKDSA-N 1 0 294.351 2.330 20 5 CEBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496736 366231747 /nfs/dbraw/zinc/23/17/47/366231747.db2.gz MIFSCERBTSJQHQ-MNOVXSKESA-N 1 0 276.340 2.335 20 5 CEBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733246 199640501 /nfs/dbraw/zinc/64/05/01/199640501.db2.gz MCMDHFOVLIPUJH-QWRGUYRKSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)C(F)F ZINC000577443808 314377038 /nfs/dbraw/zinc/37/70/38/314377038.db2.gz LUWLUCHIKGISAW-KCJUWKMLSA-N 1 0 274.267 2.180 20 5 CEBDRO Cc1cccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000452095854 283185257 /nfs/dbraw/zinc/18/52/57/283185257.db2.gz WNHJZWYYEIFOQC-LBPRGKRZSA-N 1 0 274.324 2.451 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000338343974 366307164 /nfs/dbraw/zinc/30/71/64/366307164.db2.gz CUHXLVDODNUWRI-CQSZACIVSA-N 1 0 264.325 2.248 20 5 CEBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076329403 363538190 /nfs/dbraw/zinc/53/81/90/363538190.db2.gz BKSMJIFCFNMRBZ-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134413210 366316953 /nfs/dbraw/zinc/31/69/53/366316953.db2.gz NINPHYWJMLDTTG-CQSZACIVSA-N 1 0 296.367 2.312 20 5 CEBDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134824719 366362482 /nfs/dbraw/zinc/36/24/82/366362482.db2.gz VSMJUUTXEPFZCU-NSHDSACASA-N 1 0 279.340 2.018 20 5 CEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000340860204 215740752 /nfs/dbraw/zinc/74/07/52/215740752.db2.gz BMZWZCFDJNPLJJ-ZDUSSCGKSA-N 1 0 295.383 2.408 20 5 CEBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000294790524 199185257 /nfs/dbraw/zinc/18/52/57/199185257.db2.gz LYSSYBHSQGFSMM-LBPRGKRZSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CCCC2)cs1 ZINC000135065730 366392833 /nfs/dbraw/zinc/39/28/33/366392833.db2.gz CITNYQKASPANLI-UHFFFAOYSA-N 1 0 270.354 2.299 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135204252 366408909 /nfs/dbraw/zinc/40/89/09/366408909.db2.gz QBXYDZYETCEJRJ-WCQYABFASA-N 1 0 264.325 2.418 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469157 366443473 /nfs/dbraw/zinc/44/34/73/366443473.db2.gz RRGOZTQRBFMJRR-JQWIXIFHSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294895811 199235933 /nfs/dbraw/zinc/23/59/33/199235933.db2.gz VOYZDXLTWOVNGD-NSHDSACASA-N 1 0 286.335 2.465 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415444427 236671152 /nfs/dbraw/zinc/67/11/52/236671152.db2.gz VAPMZTRMGWTVJE-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135707036 366470162 /nfs/dbraw/zinc/47/01/62/366470162.db2.gz HLNKWZKBSDCOFG-VXGBXAGGSA-N 1 0 293.367 2.406 20 5 CEBDRO CC[C@@H](COC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079741577 363626703 /nfs/dbraw/zinc/62/67/03/363626703.db2.gz MCRDTYSZOYSMBX-NSHDSACASA-N 1 0 268.313 2.118 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000079963517 363636175 /nfs/dbraw/zinc/63/61/75/363636175.db2.gz LWZKGOJGRRFNBO-LBPRGKRZSA-N 1 0 250.298 2.063 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000453101032 283472689 /nfs/dbraw/zinc/47/26/89/283472689.db2.gz YCYPFHOYVWZFOF-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO CCC[N@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000080678058 363677586 /nfs/dbraw/zinc/67/75/86/363677586.db2.gz ZDWNSHBBWDSVEK-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000080804740 363685203 /nfs/dbraw/zinc/68/52/03/363685203.db2.gz YIYPQXUICKYLTM-GFCCVEGCSA-N 1 0 252.314 2.010 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCCC[C@@H]1C ZINC000339003816 366610691 /nfs/dbraw/zinc/61/06/91/366610691.db2.gz QEYYACHUZIGROW-WDEREUQCSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C)CC1 ZINC000297998467 200315577 /nfs/dbraw/zinc/31/55/77/200315577.db2.gz XPMRNVDBRRUYOI-LBPRGKRZSA-N 1 0 263.341 2.293 20 5 CEBDRO CCOC[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081519471 363723462 /nfs/dbraw/zinc/72/34/62/363723462.db2.gz VWNBAZMVCOPZEW-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081520720 363724826 /nfs/dbraw/zinc/72/48/26/363724826.db2.gz SUPMREOMKMRYFO-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000339166168 366685068 /nfs/dbraw/zinc/68/50/68/366685068.db2.gz CVELXQVGPQKIJA-ZDUSSCGKSA-N 1 0 294.351 2.427 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000272314819 296029259 /nfs/dbraw/zinc/02/92/59/296029259.db2.gz SGGGGBBBBXPGNZ-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c1 ZINC000342251916 216279220 /nfs/dbraw/zinc/27/92/20/216279220.db2.gz RBJZSBDTWOXWSR-JSGCOSHPSA-N 1 0 278.352 2.483 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CC=CCC2)n1 ZINC000339978848 366737447 /nfs/dbraw/zinc/73/74/47/366737447.db2.gz WLBBKAQHAXZCOF-UHFFFAOYSA-N 1 0 276.340 2.280 20 5 CEBDRO C[NH2+]CCCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000083827063 363788495 /nfs/dbraw/zinc/78/84/95/363788495.db2.gz NQKQFOQBGCFGGR-UHFFFAOYSA-N 1 0 289.129 2.346 20 5 CEBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000340164763 366786214 /nfs/dbraw/zinc/78/62/14/366786214.db2.gz SZUDIJVPXRXFEM-VXGBXAGGSA-N 1 0 278.356 2.087 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000581535368 366790821 /nfs/dbraw/zinc/79/08/21/366790821.db2.gz YKLQJZPJUPDAOL-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CN(CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301995559 201292743 /nfs/dbraw/zinc/29/27/43/201292743.db2.gz HILPVXVODDAWGN-UHFFFAOYSA-N 1 0 255.293 2.122 20 5 CEBDRO CC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])COC1 ZINC000084440153 363810995 /nfs/dbraw/zinc/81/09/95/363810995.db2.gz WXCUJHWUHVXJPJ-UHFFFAOYSA-N 1 0 270.716 2.374 20 5 CEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302180973 201385626 /nfs/dbraw/zinc/38/56/26/201385626.db2.gz ZRBUNKUEYAYATH-GRYCIOLGSA-N 1 0 293.371 2.163 20 5 CEBDRO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000089107581 363932501 /nfs/dbraw/zinc/93/25/01/363932501.db2.gz IBRSQJVJXIEWEX-STQMWFEESA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000089580564 363979358 /nfs/dbraw/zinc/97/93/58/363979358.db2.gz WLKZEMVHTDAATN-GFCCVEGCSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000090824858 364067756 /nfs/dbraw/zinc/06/77/56/364067756.db2.gz JMVYETFGBYIYSY-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000092649563 364094194 /nfs/dbraw/zinc/09/41/94/364094194.db2.gz UYRWPJQJPRKXTR-SNVBAGLBSA-N 1 0 264.329 2.193 20 5 CEBDRO Cc1sc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237698563 370745606 /nfs/dbraw/zinc/74/56/06/370745606.db2.gz AJUSPVYJCOAUCJ-JTQLQIEISA-N 1 0 297.380 2.084 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000237858470 370754829 /nfs/dbraw/zinc/75/48/29/370754829.db2.gz UOHREJPLRRVNFZ-VXGBXAGGSA-N 1 0 289.335 2.001 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093873190 364237184 /nfs/dbraw/zinc/23/71/84/364237184.db2.gz HBCIFEWFVADWMZ-UHFFFAOYSA-N 1 0 257.359 2.073 20 5 CEBDRO Cc1cccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000093983956 364245174 /nfs/dbraw/zinc/24/51/74/364245174.db2.gz GSLIDQUULWWJIL-RYUDHWBXSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774974 364296000 /nfs/dbraw/zinc/29/60/00/364296000.db2.gz IDVRTPHAKKEKPR-DGCLKSJQSA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@H]([NH2+]Cc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000112343153 364795498 /nfs/dbraw/zinc/79/54/98/364795498.db2.gz LVAUNHNLUFCKIB-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000111829409 364763005 /nfs/dbraw/zinc/76/30/05/364763005.db2.gz QLNDYBRBWYTKID-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655267 364908196 /nfs/dbraw/zinc/90/81/96/364908196.db2.gz DXDHHFXNYVHXDQ-DGCLKSJQSA-N 1 0 263.341 2.154 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275868577 193151348 /nfs/dbraw/zinc/15/13/48/193151348.db2.gz NOYDPQMRQKADGQ-MQMHXKEQSA-N 1 0 264.325 2.330 20 5 CEBDRO CCC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000120924858 365497271 /nfs/dbraw/zinc/49/72/71/365497271.db2.gz MJHSPMYNSLVUQA-LBPRGKRZSA-N 1 0 266.345 2.303 20 5 CEBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H](O)C4(CC4)C3)c2c1 ZINC000582652811 366938638 /nfs/dbraw/zinc/93/86/38/366938638.db2.gz FMNHPLNCBLBJPQ-CYBMUJFWSA-N 1 0 285.303 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000584035513 367133278 /nfs/dbraw/zinc/13/32/78/367133278.db2.gz FERZELKUHGHCGC-SDDRHHMPSA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000162837692 367195071 /nfs/dbraw/zinc/19/50/71/367195071.db2.gz GZSDSFNOYNYQSA-GXFFZTMASA-N 1 0 293.367 2.454 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000590569920 367198001 /nfs/dbraw/zinc/19/80/01/367198001.db2.gz UWZKMUGEVHQKDW-KOLCDFICSA-N 1 0 267.304 2.263 20 5 CEBDRO CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000611414537 367225663 /nfs/dbraw/zinc/22/56/63/367225663.db2.gz GBXUSTINBYWSKN-ZJUUUORDSA-N 1 0 287.410 2.138 20 5 CEBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171680578 367591172 /nfs/dbraw/zinc/59/11/72/367591172.db2.gz ZOPJJRYGSCIBKN-UHFFFAOYSA-N 1 0 291.351 2.432 20 5 CEBDRO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000171680837 367592070 /nfs/dbraw/zinc/59/20/70/367592070.db2.gz LMOCVWSLERUSGM-UHFFFAOYSA-N 1 0 277.324 2.068 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421474 367909476 /nfs/dbraw/zinc/90/94/76/367909476.db2.gz QWXWHQVJFILBSM-BXUZGUMPSA-N 1 0 282.340 2.033 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421486 367909847 /nfs/dbraw/zinc/90/98/47/367909847.db2.gz QWXWHQVJFILBSM-FZMZJTMJSA-N 1 0 282.340 2.033 20 5 CEBDRO COCCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173444887 367910603 /nfs/dbraw/zinc/91/06/03/367910603.db2.gz WWOQNCARLFFCEU-ZDUSSCGKSA-N 1 0 295.383 2.214 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000174140954 367988944 /nfs/dbraw/zinc/98/89/44/367988944.db2.gz FYISFKKBGBJGHH-LBPRGKRZSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182421509 368562026 /nfs/dbraw/zinc/56/20/26/368562026.db2.gz KCUBKPUDAKATAV-GFCCVEGCSA-N 1 0 293.327 2.137 20 5 CEBDRO CC[C@@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222158 368538001 /nfs/dbraw/zinc/53/80/01/368538001.db2.gz XWUOLIPUHICLTO-AGIUHOORSA-N 1 0 296.367 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000182628707 368573363 /nfs/dbraw/zinc/57/33/63/368573363.db2.gz ASXWZTGFVQMJKQ-LLVKDONJSA-N 1 0 291.351 2.162 20 5 CEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000182662920 368576968 /nfs/dbraw/zinc/57/69/68/368576968.db2.gz RHQCCMKNZIEMBU-GFCCVEGCSA-N 1 0 294.351 2.411 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000246039521 370902456 /nfs/dbraw/zinc/90/24/56/370902456.db2.gz AJAQAFFOABXHSB-GXTWGEPZSA-N 1 0 264.325 2.188 20 5 CEBDRO COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000346666217 368759616 /nfs/dbraw/zinc/75/96/16/368759616.db2.gz PWLZTKOTCLYBDG-CABZTGNLSA-N 1 0 296.298 2.117 20 5 CEBDRO [NH3+]C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000346670403 368761807 /nfs/dbraw/zinc/76/18/07/368761807.db2.gz USFSIKYJDXEBJP-HWKANZROSA-N 1 0 261.325 2.031 20 5 CEBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000346661375 368757229 /nfs/dbraw/zinc/75/72/29/368757229.db2.gz AZHJMQQDGVLSBA-CQSZACIVSA-N 1 0 263.341 2.087 20 5 CEBDRO COCC1=CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000185891447 368882181 /nfs/dbraw/zinc/88/21/81/368882181.db2.gz BYGKLMITSAOMOR-UHFFFAOYSA-N 1 0 292.335 2.252 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000186776885 369040606 /nfs/dbraw/zinc/04/06/06/369040606.db2.gz CKDLGTWSIMMLOZ-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC[NH+](C)C ZINC000348933664 369203186 /nfs/dbraw/zinc/20/31/86/369203186.db2.gz JQHAKUJCHNYWOD-JLHYYAGUSA-N 1 0 277.368 2.492 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C(C)(C)C1 ZINC000349978117 369474646 /nfs/dbraw/zinc/47/46/46/369474646.db2.gz SMNLOAQUBLCSLV-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191268462 369697037 /nfs/dbraw/zinc/69/70/37/369697037.db2.gz RDYDYVJVRXNPOS-BVUQATHDSA-N 1 0 294.351 2.337 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC1CC1 ZINC000352464318 369743910 /nfs/dbraw/zinc/74/39/10/369743910.db2.gz RRMNBCJQTNHYIM-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO COc1cc(C[N@H+](C)CCSC)ccc1[N+](=O)[O-] ZINC000352534995 369776262 /nfs/dbraw/zinc/77/62/62/369776262.db2.gz KXZXYGINNMEOCZ-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO C[C@@H]([NH3+])CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000193245373 369910406 /nfs/dbraw/zinc/91/04/06/369910406.db2.gz WQAWEPZQQWYNIY-GFCCVEGCSA-N 1 0 293.367 2.161 20 5 CEBDRO CC(C)[C@@](C)(CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352920032 369950095 /nfs/dbraw/zinc/95/00/95/369950095.db2.gz YEINJNDVMSKJKE-CQSZACIVSA-N 1 0 266.341 2.134 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)c1 ZINC000193376831 369934797 /nfs/dbraw/zinc/93/47/97/369934797.db2.gz QDWUYGFVWFNRQE-UHFFFAOYSA-N 1 0 278.356 2.465 20 5 CEBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353039672 369997402 /nfs/dbraw/zinc/99/74/02/369997402.db2.gz QZNAJGXAGLGADK-WCQYABFASA-N 1 0 264.325 2.357 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)C1CC1 ZINC000353098139 370017624 /nfs/dbraw/zinc/01/76/24/370017624.db2.gz UWEGBOOIFIGZJN-MFBWXBCUSA-N 1 0 276.336 2.216 20 5 CEBDRO CCC[NH+](CCC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360929 370030752 /nfs/dbraw/zinc/03/07/52/370030752.db2.gz BTIDYUQFWJAAGD-ZDUSSCGKSA-N 1 0 296.367 2.457 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000193856555 369985994 /nfs/dbraw/zinc/98/59/94/369985994.db2.gz UTGFKTLNFAKOFO-QMMMGPOBSA-N 1 0 258.347 2.194 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](C)OC ZINC000353252895 370097261 /nfs/dbraw/zinc/09/72/61/370097261.db2.gz JQKHBTYOXVVTCE-SNVBAGLBSA-N 1 0 268.313 2.070 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000195508543 370134871 /nfs/dbraw/zinc/13/48/71/370134871.db2.gz DMYJWIRIFPGCCE-QMMMGPOBSA-N 1 0 258.347 2.194 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354434856 370362276 /nfs/dbraw/zinc/36/22/76/370362276.db2.gz AYOFVCJOVGHKEI-CHWSQXEVSA-N 1 0 277.368 2.428 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651663 370378304 /nfs/dbraw/zinc/37/83/04/370378304.db2.gz RCBLEODNHLARSB-SECBINFHSA-N 1 0 284.747 2.397 20 5 CEBDRO CC[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889070 370388191 /nfs/dbraw/zinc/38/81/91/370388191.db2.gz IZFRZHXSCRHSHF-UHFFFAOYSA-N 1 0 259.256 2.237 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH2+]C1 ZINC000226436059 370342313 /nfs/dbraw/zinc/34/23/13/370342313.db2.gz DVZSODCHTPEMQH-LBPRGKRZSA-N 1 0 263.341 2.026 20 5 CEBDRO COc1ccc(C[NH2+][C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688421 370464466 /nfs/dbraw/zinc/46/44/66/370464466.db2.gz NOJVFSCARLRSFA-GFCCVEGCSA-N 1 0 282.340 2.100 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000232874218 370514115 /nfs/dbraw/zinc/51/41/15/370514115.db2.gz PQMCZVDCAIXHGC-SNVBAGLBSA-N 1 0 297.380 2.164 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000232993484 370516381 /nfs/dbraw/zinc/51/63/81/370516381.db2.gz KBNVQHGTXALLAX-NSHDSACASA-N 1 0 264.329 2.180 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235390540 370563521 /nfs/dbraw/zinc/56/35/21/370563521.db2.gz XMFOPKZCOISDIN-SCZZXKLOSA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000235814588 370578660 /nfs/dbraw/zinc/57/86/60/370578660.db2.gz TTXDOHGRSSHWJR-GFCCVEGCSA-N 1 0 264.325 2.419 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246796304 371012296 /nfs/dbraw/zinc/01/22/96/371012296.db2.gz CWSMXOBMZDXFFD-MWLCHTKSSA-N 1 0 297.380 2.115 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCN2CCC2)cccc1[N+](=O)[O-] ZINC000358342060 371024016 /nfs/dbraw/zinc/02/40/16/371024016.db2.gz PIQXNKLTTGJOLJ-LBPRGKRZSA-N 1 0 263.341 2.260 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247408692 371104268 /nfs/dbraw/zinc/10/42/68/371104268.db2.gz NBNGMBGDEJZNCC-VHSXEESVSA-N 1 0 297.380 2.069 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]21 ZINC000248427490 371193137 /nfs/dbraw/zinc/19/31/37/371193137.db2.gz OSRBRUQMZLQACL-FRRDWIJNSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000248369648 371182123 /nfs/dbraw/zinc/18/21/23/371182123.db2.gz WMXMVEULOGYVNE-SWLSCSKDSA-N 1 0 286.335 2.484 20 5 CEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235679065 189829710 /nfs/dbraw/zinc/82/97/10/189829710.db2.gz HLDFEWXXNQQEEC-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000359063172 371323263 /nfs/dbraw/zinc/32/32/63/371323263.db2.gz RCJIBOQMSUDMEH-AWEZNQCLSA-N 1 0 293.367 2.177 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249528148 371332036 /nfs/dbraw/zinc/33/20/36/371332036.db2.gz AFAMZDGKFBJNBN-SMDDNHRTSA-N 1 0 264.325 2.106 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c(F)c1 ZINC000359153839 371355743 /nfs/dbraw/zinc/35/57/43/371355743.db2.gz MANNXRRUJOILJC-QWHCGFSZSA-N 1 0 268.288 2.127 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000252666932 371464830 /nfs/dbraw/zinc/46/48/30/371464830.db2.gz CZCVJKWBGVOHSG-RYUDHWBXSA-N 1 0 281.381 2.373 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)CCC1 ZINC000255367544 371582008 /nfs/dbraw/zinc/58/20/08/371582008.db2.gz PLNUEAXUFISVQI-UTCJRWHESA-N 1 0 262.309 2.113 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000360986574 371583864 /nfs/dbraw/zinc/58/38/64/371583864.db2.gz UNUHJDVXNDHEEQ-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255692047 371596527 /nfs/dbraw/zinc/59/65/27/371596527.db2.gz AWCKBYWKSDPASK-VFFGBVLKSA-N 1 0 292.335 2.349 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261778541 371728151 /nfs/dbraw/zinc/72/81/51/371728151.db2.gz PIMLVSPVIQUPFE-WFASDCNBSA-N 1 0 275.352 2.341 20 5 CEBDRO C[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337315190 214002234 /nfs/dbraw/zinc/00/22/34/214002234.db2.gz JBHKPZCMACUTPR-CQSZACIVSA-N 1 0 295.314 2.357 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262889815 371918866 /nfs/dbraw/zinc/91/88/66/371918866.db2.gz CLWGPORJNHBLJT-ZFWWWQNUSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361558732 371922669 /nfs/dbraw/zinc/92/26/69/371922669.db2.gz YJTJMOPVJJXQIC-IAQYHMDHSA-N 1 0 291.351 2.162 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCOC1 ZINC000361590758 371958231 /nfs/dbraw/zinc/95/82/31/371958231.db2.gz JXTKFISFHMAUGX-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344136788 217068547 /nfs/dbraw/zinc/06/85/47/217068547.db2.gz VAQCFQYJYBHPJH-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268456991 372107662 /nfs/dbraw/zinc/10/76/62/372107662.db2.gz GXEOQCQQRWKUPG-GFCCVEGCSA-N 1 0 278.356 2.076 20 5 CEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000267289221 372068398 /nfs/dbraw/zinc/06/83/98/372068398.db2.gz QYIVYGJCVHFQQI-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362091016 372215286 /nfs/dbraw/zinc/21/52/86/372215286.db2.gz QZJPQHGGVRSAHT-UWVGGRQHSA-N 1 0 284.743 2.308 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1=CCCOC1 ZINC000269261019 372398095 /nfs/dbraw/zinc/39/80/95/372398095.db2.gz BRWALVVNZKHKCE-UHFFFAOYSA-N 1 0 262.309 2.074 20 5 CEBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692213 372536758 /nfs/dbraw/zinc/53/67/58/372536758.db2.gz IVWPCZOOXDLFGR-JSGCOSHPSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364327359 372728903 /nfs/dbraw/zinc/72/89/03/372728903.db2.gz YKHOWIKXENDBQJ-NWDGAFQWSA-N 1 0 266.345 2.474 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ncc[nH]2)cc1 ZINC000344687615 217276693 /nfs/dbraw/zinc/27/66/93/217276693.db2.gz SYQUMJVKPUDVBO-UHFFFAOYSA-N 1 0 274.324 2.430 20 5 CEBDRO COC[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000344798163 217313691 /nfs/dbraw/zinc/31/36/91/217313691.db2.gz RIOWJNAEQKEPPG-XCHKQJEOSA-N 1 0 294.351 2.249 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)O ZINC000344835892 217327313 /nfs/dbraw/zinc/32/73/13/217327313.db2.gz VZMVNYZZVTXUSK-OBIHZWKSSA-N 1 0 264.325 2.359 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271071895 373104060 /nfs/dbraw/zinc/10/40/60/373104060.db2.gz FNHNITYQRKIHES-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO CCCNC(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344862269 217336946 /nfs/dbraw/zinc/33/69/46/217336946.db2.gz OEVZOHPKJLIIMF-WQLSENKSSA-N 1 0 291.351 2.114 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369804456 373512770 /nfs/dbraw/zinc/51/27/70/373512770.db2.gz GRNRUYJSQNAZMH-ZIAGYGMSSA-N 1 0 262.309 2.348 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369677059 373485681 /nfs/dbraw/zinc/48/56/81/373485681.db2.gz VDMOOTQQFATPNA-SWLSCSKDSA-N 1 0 292.335 2.084 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000370306427 373629990 /nfs/dbraw/zinc/62/99/90/373629990.db2.gz AVFSRBSJKMKNBV-UHFFFAOYSA-N 1 0 292.335 2.358 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289600831 197416642 /nfs/dbraw/zinc/41/66/42/197416642.db2.gz NQNCCJAWWOKLIE-BPNCWPANSA-N 1 0 291.351 2.160 20 5 CEBDRO O=C1OCCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000371151270 373801422 /nfs/dbraw/zinc/80/14/22/373801422.db2.gz MALYIJVYGBXFKA-UHFFFAOYSA-N 1 0 290.319 2.124 20 5 CEBDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000274802593 374054458 /nfs/dbraw/zinc/05/44/58/374054458.db2.gz KSISJXZYQPOXTQ-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372365628 374107014 /nfs/dbraw/zinc/10/70/14/374107014.db2.gz JEPJHZKQZQFESY-KQIUPUNMSA-N 1 0 299.334 2.147 20 5 CEBDRO COC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275213750 374187555 /nfs/dbraw/zinc/18/75/55/374187555.db2.gz BLSNFIPOTHAYET-UHFFFAOYSA-N 1 0 298.726 2.291 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000373320132 374326092 /nfs/dbraw/zinc/32/60/92/374326092.db2.gz PNMAGJJVJXIEPF-OAHLLOKOSA-N 1 0 276.336 2.250 20 5 CEBDRO Cc1c[nH+]ccc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373686073 374404857 /nfs/dbraw/zinc/40/48/57/374404857.db2.gz PXJNUNGMIROMMZ-UHFFFAOYSA-N 1 0 287.323 2.336 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374055902 374475679 /nfs/dbraw/zinc/47/56/79/374475679.db2.gz WMXPQVMJSBUDDZ-GFCCVEGCSA-N 1 0 294.351 2.198 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278204589 374751458 /nfs/dbraw/zinc/75/14/58/374751458.db2.gz HCBDDVLGJPMZFY-HZMBPMFUSA-N 1 0 291.351 2.086 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278171133 374741384 /nfs/dbraw/zinc/74/13/84/374741384.db2.gz FUUAYYDISSGDAF-VIFPVBQESA-N 1 0 265.269 2.345 20 5 CEBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000280534322 375235504 /nfs/dbraw/zinc/23/55/04/375235504.db2.gz RYNJMDWRRAHMGN-DYLGSBMWSA-N 1 0 276.336 2.311 20 5 CEBDRO CO[C@@H]([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211698 375285429 /nfs/dbraw/zinc/28/54/29/375285429.db2.gz GJKHURMVIHIDRJ-HZMBPMFUSA-N 1 0 264.325 2.498 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000280841480 375339370 /nfs/dbraw/zinc/33/93/70/375339370.db2.gz KQQLBVRGQRMYHR-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO C[N@H+](CCOCC(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000282328399 375457675 /nfs/dbraw/zinc/45/76/75/375457675.db2.gz AQXLDHATFMSYOL-UHFFFAOYSA-N 1 0 288.294 2.351 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000408308460 375449239 /nfs/dbraw/zinc/44/92/39/375449239.db2.gz ITJSYKGXSREQDW-WDEREUQCSA-N 1 0 264.329 2.093 20 5 CEBDRO C[N@H+](CCCn1ccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282538772 375511556 /nfs/dbraw/zinc/51/15/56/375511556.db2.gz VVDDTXVTMPBSJU-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CSC2(C)C)c([N+](=O)[O-])cc1O ZINC000282587980 375525132 /nfs/dbraw/zinc/52/51/32/375525132.db2.gz BYQJCRYOMJWCNV-LBPRGKRZSA-N 1 0 298.364 2.293 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283106411 375655877 /nfs/dbraw/zinc/65/58/77/375655877.db2.gz MBRBYDRNAKDPCS-LLVKDONJSA-N 1 0 296.298 2.261 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283036318 375642468 /nfs/dbraw/zinc/64/24/68/375642468.db2.gz IBIAGTAXNKAYRC-LBPRGKRZSA-N 1 0 281.331 2.117 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283715915 375749757 /nfs/dbraw/zinc/74/97/57/375749757.db2.gz FLPZEEMAPGUEEC-NEPJUHHUSA-N 1 0 278.356 2.462 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000283717081 375749998 /nfs/dbraw/zinc/74/99/98/375749998.db2.gz FRLMWVPLISCJTD-LBPRGKRZSA-N 1 0 278.356 2.463 20 5 CEBDRO Cc1c(C[N@@H+](CCOCCO)C(C)C)cccc1[N+](=O)[O-] ZINC000283778944 375759180 /nfs/dbraw/zinc/75/91/80/375759180.db2.gz QVEWFFIWNYTLBW-UHFFFAOYSA-N 1 0 296.367 2.123 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283900464 375778157 /nfs/dbraw/zinc/77/81/57/375778157.db2.gz CWPXMZYITQBISR-NSHDSACASA-N 1 0 286.335 2.465 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158083 375820125 /nfs/dbraw/zinc/82/01/25/375820125.db2.gz PQZVDAXCMWVWSV-ONGXEEELSA-N 1 0 265.313 2.007 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531718 375838873 /nfs/dbraw/zinc/83/88/73/375838873.db2.gz SCPCZIABWACTDU-WFASDCNBSA-N 1 0 296.367 2.489 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414660027 375906023 /nfs/dbraw/zinc/90/60/23/375906023.db2.gz NWFWGWBHYBLZBP-MNOVXSKESA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414581697 375867046 /nfs/dbraw/zinc/86/70/46/375867046.db2.gz RCKPLBPKTUUMKS-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414693724 375922467 /nfs/dbraw/zinc/92/24/67/375922467.db2.gz FGBRQJFKJFMUJX-GXSJLCMTSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1c(NC(=O)NC[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000414694870 375922669 /nfs/dbraw/zinc/92/26/69/375922669.db2.gz GIHCWOBGIOGASN-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO Cc1c(NC(=O)N(C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000414693793 375923319 /nfs/dbraw/zinc/92/33/19/375923319.db2.gz FISUGGUIXJGRAR-CYBMUJFWSA-N 1 0 292.339 2.104 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000286377872 375932817 /nfs/dbraw/zinc/93/28/17/375932817.db2.gz YZAKNIVVQHUBAG-SWLSCSKDSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1F ZINC000286383040 375933631 /nfs/dbraw/zinc/93/36/31/375933631.db2.gz ZEZMUPFGKRDPDA-WCQYABFASA-N 1 0 282.315 2.375 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414805245 375991966 /nfs/dbraw/zinc/99/19/66/375991966.db2.gz PKPKCUDIBLSYII-QWRGUYRKSA-N 1 0 269.370 2.263 20 5 CEBDRO CCCC[C@@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414807841 375994013 /nfs/dbraw/zinc/99/40/13/375994013.db2.gz DHNVRMSFCIXJRV-LBPRGKRZSA-N 1 0 251.330 2.202 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000287593123 376269957 /nfs/dbraw/zinc/26/99/57/376269957.db2.gz YJGNWLONWIRIRY-JTQLQIEISA-N 1 0 270.304 2.327 20 5 CEBDRO Cc1ccoc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289745581 376478626 /nfs/dbraw/zinc/47/86/26/376478626.db2.gz ITDXUNMWUQVKQD-UHFFFAOYSA-N 1 0 275.308 2.462 20 5 CEBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000419376924 376448114 /nfs/dbraw/zinc/44/81/14/376448114.db2.gz UKSLYYVVYPQATR-MXWKQRLJSA-N 1 0 291.351 2.170 20 5 CEBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289706742 376456422 /nfs/dbraw/zinc/45/64/22/376456422.db2.gz FCXGDUWXKBQOAJ-GHMZBOCLSA-N 1 0 252.314 2.416 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305803686 376496882 /nfs/dbraw/zinc/49/68/82/376496882.db2.gz FQEBHCSHSJHOQH-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000305841576 376516437 /nfs/dbraw/zinc/51/64/37/376516437.db2.gz RGDQFJZTTNBBFF-AWEZNQCLSA-N 1 0 296.367 2.442 20 5 CEBDRO CCCC[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000289758850 376485088 /nfs/dbraw/zinc/48/50/88/376485088.db2.gz FWBPQTTZNMWKEF-NSHDSACASA-N 1 0 254.334 2.302 20 5 CEBDRO C[NH2+]CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420140977 376579608 /nfs/dbraw/zinc/57/96/08/376579608.db2.gz QXURFLBXMQMRRG-UHFFFAOYSA-N 1 0 278.234 2.030 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420234183 376642097 /nfs/dbraw/zinc/64/20/97/376642097.db2.gz GTOJJPRIJQNXJX-NEPJUHHUSA-N 1 0 286.335 2.247 20 5 CEBDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000422942891 376870581 /nfs/dbraw/zinc/87/05/81/376870581.db2.gz KWSMXZFTVSEVRA-GYSYKLTISA-N 1 0 263.341 2.386 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000562443361 376897194 /nfs/dbraw/zinc/89/71/94/376897194.db2.gz GICHDJIAHXPZLV-CQSZACIVSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043149 376947446 /nfs/dbraw/zinc/94/74/46/376947446.db2.gz NLYCGBZZMCRVAA-MFKMUULPSA-N 1 0 297.786 2.378 20 5 CEBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000290938911 376993367 /nfs/dbraw/zinc/99/33/67/376993367.db2.gz KIAJAZOEPMZANQ-SECBINFHSA-N 1 0 255.293 2.404 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000423200202 377115775 /nfs/dbraw/zinc/11/57/75/377115775.db2.gz DUKFMZRABDBGPJ-VXGBXAGGSA-N 1 0 295.408 2.417 20 5 CEBDRO O=[N+]([O-])c1cc2c(nc1NCC[NH+]1CCCC1)CCCC2 ZINC000563037396 377070894 /nfs/dbraw/zinc/07/08/94/377070894.db2.gz BBELHTYRECONEK-UHFFFAOYSA-N 1 0 290.367 2.376 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000563420116 377219158 /nfs/dbraw/zinc/21/91/58/377219158.db2.gz LQEFMCAGMBYIQH-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000330998221 377229718 /nfs/dbraw/zinc/22/97/18/377229718.db2.gz IYBICPBQJDZNCN-HUUCEWRRSA-N 1 0 278.352 2.278 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)C[NH3+] ZINC000423333242 377263572 /nfs/dbraw/zinc/26/35/72/377263572.db2.gz RGXXRPOJHYYRQI-MNOVXSKESA-N 1 0 283.397 2.402 20 5 CEBDRO CO[C@@H]1C[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000331133270 377296204 /nfs/dbraw/zinc/29/62/04/377296204.db2.gz UPYKYWOUPHRKNS-LERXQTSPSA-N 1 0 280.324 2.001 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000292978460 377378684 /nfs/dbraw/zinc/37/86/84/377378684.db2.gz BBXPLKIMLLPROR-AWEZNQCLSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292924918 377355429 /nfs/dbraw/zinc/35/54/29/377355429.db2.gz GNKIDEZUMJPVEC-BXUZGUMPSA-N 1 0 264.325 2.236 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000264996976 190150927 /nfs/dbraw/zinc/15/09/27/190150927.db2.gz OGOORBFYWGQPLC-UHFFFAOYSA-N 1 0 275.352 2.265 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCC1=O ZINC000564578094 377411558 /nfs/dbraw/zinc/41/15/58/377411558.db2.gz SHLBFXKOXJPLDK-GFCCVEGCSA-N 1 0 291.351 2.176 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000293191272 377464623 /nfs/dbraw/zinc/46/46/23/377464623.db2.gz QFTBFZQVWAUHGJ-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)O ZINC000265076883 190156456 /nfs/dbraw/zinc/15/64/56/190156456.db2.gz YYQTVLRCBKLHDV-UHFFFAOYSA-N 1 0 258.343 2.249 20 5 CEBDRO CN1CCO[C@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000564959253 377514405 /nfs/dbraw/zinc/51/44/05/377514405.db2.gz VQLMAASCBQDKBI-ZDUSSCGKSA-N 1 0 282.365 2.159 20 5 CEBDRO C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354636 377532579 /nfs/dbraw/zinc/53/25/79/377532579.db2.gz HCLCFENMCGZTNZ-NEPJUHHUSA-N 1 0 265.357 2.443 20 5 CEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]1C ZINC000293362350 377537098 /nfs/dbraw/zinc/53/70/98/377537098.db2.gz INEZMIKQTXNQTC-GMTAPVOTSA-N 1 0 277.324 2.262 20 5 CEBDRO CCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430916236 377563721 /nfs/dbraw/zinc/56/37/21/377563721.db2.gz GYAMASMWNKFNEA-LLVKDONJSA-N 1 0 281.331 2.308 20 5 CEBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000265459119 190183954 /nfs/dbraw/zinc/18/39/54/190183954.db2.gz WQSNWMLYRJWYGD-VIFPVBQESA-N 1 0 258.343 2.153 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000565306809 377637040 /nfs/dbraw/zinc/63/70/40/377637040.db2.gz DDZCVGBWHMYGNX-CHWSQXEVSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1c(C[NH2+][C@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000313111849 249383979 /nfs/dbraw/zinc/38/39/79/249383979.db2.gz FRHJGHWLIDIHJA-ZDUSSCGKSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000293648100 377677360 /nfs/dbraw/zinc/67/73/60/377677360.db2.gz DXMDYXUGOGAVSC-VIFPVBQESA-N 1 0 299.758 2.176 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000293880309 377803854 /nfs/dbraw/zinc/80/38/54/377803854.db2.gz FOPNMZNOUPIDKI-CYBMUJFWSA-N 1 0 272.308 2.068 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1F ZINC000295260672 378075569 /nfs/dbraw/zinc/07/55/69/378075569.db2.gz RIRSMRDVWIITOE-ZDUSSCGKSA-N 1 0 298.314 2.400 20 5 CEBDRO COCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544361 378115315 /nfs/dbraw/zinc/11/53/15/378115315.db2.gz UQJCHRDJKDALJR-OLZOCXBDSA-N 1 0 296.371 2.291 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000296223164 378457634 /nfs/dbraw/zinc/45/76/34/378457634.db2.gz CAIGJVYKQYLYAO-FOGDFJRCSA-N 1 0 250.298 2.250 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296665724 378611275 /nfs/dbraw/zinc/61/12/75/378611275.db2.gz GCJSRQSNSTYVNX-NSHDSACASA-N 1 0 274.324 2.451 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCCC1(C)C ZINC000450952442 378659402 /nfs/dbraw/zinc/65/94/02/378659402.db2.gz TUTAGUKRCQJUFV-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ncccc2[N+](=O)[O-])C1 ZINC000298491127 378743168 /nfs/dbraw/zinc/74/31/68/378743168.db2.gz DEKIEZAKGPIUIX-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102514 378708978 /nfs/dbraw/zinc/70/89/78/378708978.db2.gz KCHRJJUYQKAJKN-SWLSCSKDSA-N 1 0 296.367 2.423 20 5 CEBDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099781 378709335 /nfs/dbraw/zinc/70/93/35/378709335.db2.gz NOUUBQHHNRRDCY-NEPJUHHUSA-N 1 0 293.367 2.406 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000453421912 378899474 /nfs/dbraw/zinc/89/94/74/378899474.db2.gz ZMWFVKODQNEDOD-NJZAAPMLSA-N 1 0 278.352 2.419 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000453596555 378916178 /nfs/dbraw/zinc/91/61/78/378916178.db2.gz LUIVDDOEELMKDY-UHFFFAOYSA-N 1 0 290.298 2.165 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997894 218085197 /nfs/dbraw/zinc/08/51/97/218085197.db2.gz DPTYVBSKZWOJMQ-SMDDNHRTSA-N 1 0 293.367 2.163 20 5 CEBDRO C[NH2+]C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000347022476 218094853 /nfs/dbraw/zinc/09/48/53/218094853.db2.gz OOGUIPAADQPWGY-GQCTYLIASA-N 1 0 275.352 2.292 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571827 194050225 /nfs/dbraw/zinc/05/02/25/194050225.db2.gz CBNKHILEJCJQLM-JSGCOSHPSA-N 1 0 296.367 2.341 20 5 CEBDRO CCSCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278698731 194110202 /nfs/dbraw/zinc/11/02/02/194110202.db2.gz NNIJZZOYJZSSCO-UHFFFAOYSA-N 1 0 280.353 2.314 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301192340 379214448 /nfs/dbraw/zinc/21/44/48/379214448.db2.gz MEHUEHTVHOFSSG-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO Cc1ccnc(NC[C@H](C2CC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301276686 379241924 /nfs/dbraw/zinc/24/19/24/379241924.db2.gz IZMACBRLDOQUJI-LLVKDONJSA-N 1 0 264.329 2.050 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC3)CC2)n1 ZINC000516230693 379266983 /nfs/dbraw/zinc/26/69/83/379266983.db2.gz LIBRAEMEFWXUJG-UHFFFAOYSA-N 1 0 264.329 2.228 20 5 CEBDRO Cc1nn(CC[C@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000302362496 379362181 /nfs/dbraw/zinc/36/21/81/379362181.db2.gz FNBIRPGLQVQNIQ-GFCCVEGCSA-N 1 0 266.345 2.283 20 5 CEBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000303976669 379501357 /nfs/dbraw/zinc/50/13/57/379501357.db2.gz CIPKAQMDJMJNDF-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304063015 379518829 /nfs/dbraw/zinc/51/88/29/379518829.db2.gz RFKPPPILIJQAKE-BXUZGUMPSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000266913266 190289744 /nfs/dbraw/zinc/28/97/44/190289744.db2.gz DVHPRUVCZOKFLA-SNVBAGLBSA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)C1 ZINC000267152018 190307045 /nfs/dbraw/zinc/30/70/45/190307045.db2.gz MRVONXFINOPZID-NEPJUHHUSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000458198709 380039871 /nfs/dbraw/zinc/03/98/71/380039871.db2.gz UFVZHSXPMYKSAO-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548826123 380568580 /nfs/dbraw/zinc/56/85/80/380568580.db2.gz WESIBVAYJRZIGF-NWDGAFQWSA-N 1 0 291.351 2.114 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000492814660 380698135 /nfs/dbraw/zinc/69/81/35/380698135.db2.gz BHZZYUBVUYBRIS-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO Cn1cncc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289427765 197342339 /nfs/dbraw/zinc/34/23/39/197342339.db2.gz VIJGCTUWJRSDGV-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000375803346 285115145 /nfs/dbraw/zinc/11/51/45/285115145.db2.gz ZXYCLRWTDCYRGC-CYBMUJFWSA-N 1 0 272.308 2.485 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000150889857 285123477 /nfs/dbraw/zinc/12/34/77/285123477.db2.gz MHOXFUNHEMSVDA-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286768 219005400 /nfs/dbraw/zinc/00/54/00/219005400.db2.gz LIDVQXAPDXSQDK-ZDUSSCGKSA-N 1 0 270.304 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC1)CCC2 ZINC000193045449 285144471 /nfs/dbraw/zinc/14/44/71/285144471.db2.gz HYHSZIYAOMVNDU-RISCZKNCSA-N 1 0 262.309 2.351 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575869966 299575129 /nfs/dbraw/zinc/57/51/29/299575129.db2.gz SRELMNZXFCTSAU-MNOVXSKESA-N 1 0 293.367 2.114 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372461121 285164082 /nfs/dbraw/zinc/16/40/82/285164082.db2.gz ZDIKDVOQJXNMOM-GFCCVEGCSA-N 1 0 293.392 2.222 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC000332643304 285184158 /nfs/dbraw/zinc/18/41/58/285184158.db2.gz XLEDXEAVTFGYLU-CQSZACIVSA-N 1 0 291.351 2.307 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288632154 197132630 /nfs/dbraw/zinc/13/26/30/197132630.db2.gz YNVISAAVOAITOF-QMMMGPOBSA-N 1 0 293.352 2.106 20 5 CEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345450 195205805 /nfs/dbraw/zinc/20/58/05/195205805.db2.gz ZLQFHRNQHRJDSQ-NHYWBVRUSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000081015755 177755567 /nfs/dbraw/zinc/75/55/67/177755567.db2.gz HXIDJKDDVGUEML-BXUZGUMPSA-N 1 0 291.351 2.304 20 5 CEBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000190933293 533440267 /nfs/dbraw/zinc/44/02/67/533440267.db2.gz RPTNVSBBOGVSQD-NWDGAFQWSA-N 1 0 250.298 2.252 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000418092716 533670831 /nfs/dbraw/zinc/67/08/31/533670831.db2.gz HYEJCWWJSMAKPG-LLVKDONJSA-N 1 0 262.309 2.493 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000190288140 130085963 /nfs/dbraw/zinc/08/59/63/130085963.db2.gz UACQHXJGLWKUST-UHFFFAOYSA-N 1 0 251.330 2.373 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1C ZINC000421016081 394465464 /nfs/dbraw/zinc/46/54/64/394465464.db2.gz XTILBQMFSXNVGC-LLVKDONJSA-N 1 0 269.370 2.182 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000413113887 394485028 /nfs/dbraw/zinc/48/50/28/394485028.db2.gz DEYUJSYEPDUKQM-QMMMGPOBSA-N 1 0 268.292 2.024 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180762 394498755 /nfs/dbraw/zinc/49/87/55/394498755.db2.gz NOAXQSQZZGDTFA-OCCSQVGLSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000421361610 394509566 /nfs/dbraw/zinc/50/95/66/394509566.db2.gz LDYQXHFKHRFPTE-AAEUAGOBSA-N 1 0 278.352 2.354 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413310397 394523610 /nfs/dbraw/zinc/52/36/10/394523610.db2.gz CPOBATTVNORAKF-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421409743 394526761 /nfs/dbraw/zinc/52/67/61/394526761.db2.gz NJNMWAVLLDNEEN-AWEZNQCLSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791003 394615777 /nfs/dbraw/zinc/61/57/77/394615777.db2.gz IFFOAQGCFBDGJD-NEPJUHHUSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000356794841 394615831 /nfs/dbraw/zinc/61/58/31/394615831.db2.gz NNJAROJZOVIYIA-NWDGAFQWSA-N 1 0 263.341 2.432 20 5 CEBDRO C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331600141 394631750 /nfs/dbraw/zinc/63/17/50/394631750.db2.gz QBZMYZVCHBWZIM-FZMZJTMJSA-N 1 0 289.335 2.042 20 5 CEBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268168690 394689590 /nfs/dbraw/zinc/68/95/90/394689590.db2.gz QEBIJAZWFSOQOR-JQWIXIFHSA-N 1 0 276.340 2.193 20 5 CEBDRO CCC[C@@](C)([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269258027 394715733 /nfs/dbraw/zinc/71/57/33/394715733.db2.gz XGSQSRHRVYIXGJ-CYBMUJFWSA-N 1 0 299.758 2.382 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358303201 394717495 /nfs/dbraw/zinc/71/74/95/394717495.db2.gz KGLZNFMSLDTZEQ-JTQLQIEISA-N 1 0 283.328 2.038 20 5 CEBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414940754 394814304 /nfs/dbraw/zinc/81/43/04/394814304.db2.gz XXIRPGJRCALYLL-ZANVPECISA-N 1 0 283.759 2.336 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000415030091 394854756 /nfs/dbraw/zinc/85/47/56/394854756.db2.gz BUNRFGHTWVVZSU-DYLGSBMWSA-N 1 0 275.352 2.338 20 5 CEBDRO Cc1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000415037436 394858857 /nfs/dbraw/zinc/85/88/57/394858857.db2.gz LCXNZZRHPCOMCM-ZDUSSCGKSA-N 1 0 263.341 2.133 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@H]([NH3+])CC)cc1[N+](=O)[O-] ZINC000423480004 394929099 /nfs/dbraw/zinc/92/90/99/394929099.db2.gz VXBSHJNYJOXZMU-CMPLNLGQSA-N 1 0 281.356 2.381 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000415416592 394930025 /nfs/dbraw/zinc/93/00/25/394930025.db2.gz KTOPCOCRQJMHLV-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415448151 394933709 /nfs/dbraw/zinc/93/37/09/394933709.db2.gz XNBYKIJMCXUCIA-JQWIXIFHSA-N 1 0 292.339 2.023 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415493985 394938258 /nfs/dbraw/zinc/93/82/58/394938258.db2.gz DMUQULJARRCLAQ-CQSZACIVSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(N2C[C@H](O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340790300 394990991 /nfs/dbraw/zinc/99/09/91/394990991.db2.gz XQKRMMNYPMJLHE-VFZGTOFNSA-N 1 0 287.319 2.268 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153582667 395011444 /nfs/dbraw/zinc/01/14/44/395011444.db2.gz KEASIULSOXRDNG-HNNXBMFYSA-N 1 0 292.335 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153718054 395015553 /nfs/dbraw/zinc/01/55/53/395015553.db2.gz MASFMJHNOBLINP-OAHLLOKOSA-N 1 0 292.335 2.086 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000423613242 394957607 /nfs/dbraw/zinc/95/76/07/394957607.db2.gz VETQJTVXQNMQRS-LLVKDONJSA-N 1 0 293.367 2.248 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415762699 394961717 /nfs/dbraw/zinc/96/17/17/394961717.db2.gz NFKDUQASYGBPGN-UHFFFAOYSA-N 1 0 292.339 2.111 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035042 395071134 /nfs/dbraw/zinc/07/11/34/395071134.db2.gz BQGODCZALMFAKP-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000163261825 395082398 /nfs/dbraw/zinc/08/23/98/395082398.db2.gz PWYBLAJGWFPEAA-RYUDHWBXSA-N 1 0 266.345 2.350 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427110262 395091838 /nfs/dbraw/zinc/09/18/38/395091838.db2.gz KROUDXPRTWNKPP-SZWGIHMLSA-N 1 0 287.363 2.292 20 5 CEBDRO Cc1c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120603 395038262 /nfs/dbraw/zinc/03/82/62/395038262.db2.gz KYMAFDRWULCWTF-BXUZGUMPSA-N 1 0 277.368 2.476 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494406224 395111580 /nfs/dbraw/zinc/11/15/80/395111580.db2.gz PJMJIYGXYAKTCQ-ZDUSSCGKSA-N 1 0 286.335 2.204 20 5 CEBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000428938694 395155592 /nfs/dbraw/zinc/15/55/92/395155592.db2.gz JUTHHVWBZVWGRG-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO Cc1ccc(CNC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291820054 395169123 /nfs/dbraw/zinc/16/91/23/395169123.db2.gz ZBCQRWLNFVWKJL-NSHDSACASA-N 1 0 265.357 2.191 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCOC1)C1CC1 ZINC000182386165 395241107 /nfs/dbraw/zinc/24/11/07/395241107.db2.gz GAKGIGXUEZXISB-KBPBESRZSA-N 1 0 276.336 2.294 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182823489 395248526 /nfs/dbraw/zinc/24/85/26/395248526.db2.gz VZEMMVNZFXUZJC-VXGBXAGGSA-N 1 0 293.367 2.278 20 5 CEBDRO Cc1ccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292249426 395190385 /nfs/dbraw/zinc/19/03/85/395190385.db2.gz KCQMOTJJOJCWDR-HNNXBMFYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000185323498 395277923 /nfs/dbraw/zinc/27/79/23/395277923.db2.gz SBOGCQGDRBDURQ-CQSZACIVSA-N 1 0 266.341 2.434 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295082522 395285170 /nfs/dbraw/zinc/28/51/70/395285170.db2.gz DNDMXJHBBKXYKZ-LLVKDONJSA-N 1 0 266.341 2.494 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000419369265 395266192 /nfs/dbraw/zinc/26/61/92/395266192.db2.gz YXGCXKBWGJUDEJ-ZDUSSCGKSA-N 1 0 296.396 2.009 20 5 CEBDRO CCOCCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000355211079 395368217 /nfs/dbraw/zinc/36/82/17/395368217.db2.gz ULYSEGLMPSVCOW-OAHLLOKOSA-N 1 0 294.351 2.222 20 5 CEBDRO C[NH2+]CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420399825 395371302 /nfs/dbraw/zinc/37/13/02/395371302.db2.gz IEIQYFZFKNERDX-NSHDSACASA-N 1 0 251.330 2.163 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000420358252 395344149 /nfs/dbraw/zinc/34/41/49/395344149.db2.gz FETDREHUHNAWKM-JTNHKYCSSA-N 1 0 263.341 2.071 20 5 CEBDRO CC(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000444772089 395453571 /nfs/dbraw/zinc/45/35/71/395453571.db2.gz SYQBKFSTIPTDNQ-GFCCVEGCSA-N 1 0 266.345 2.159 20 5 CEBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000355363966 395423391 /nfs/dbraw/zinc/42/33/91/395423391.db2.gz DGNCEVJPYMNJHH-XQRVVYSFSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000420936760 395439968 /nfs/dbraw/zinc/43/99/68/395439968.db2.gz KVZIDBWVKHTOMY-OUJBWJOFSA-N 1 0 250.298 2.016 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451262574 395600591 /nfs/dbraw/zinc/60/05/91/395600591.db2.gz XPNPQDQWIJXASX-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451262576 395600745 /nfs/dbraw/zinc/60/07/45/395600745.db2.gz XPNPQDQWIJXASX-IUODEOHRSA-N 1 0 294.351 2.066 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451202729 395593498 /nfs/dbraw/zinc/59/34/98/395593498.db2.gz NYAIJOGCKBVSQC-OAHLLOKOSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000230876167 153399417 /nfs/dbraw/zinc/39/94/17/153399417.db2.gz AQVIJXGKPUJGID-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]2CCC1CC2 ZINC000302764477 154190866 /nfs/dbraw/zinc/19/08/66/154190866.db2.gz LCTOWNLBFWLFIM-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO COc1cc(CN2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352769960 154330093 /nfs/dbraw/zinc/33/00/93/154330093.db2.gz OWTLYMQWXWSKAS-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CO[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662439 155102778 /nfs/dbraw/zinc/10/27/78/155102778.db2.gz GSAHZJQWWVCYDU-DRDHIDPGSA-N 1 0 292.335 2.003 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1F ZINC000367266733 156160088 /nfs/dbraw/zinc/16/00/88/156160088.db2.gz JGICMNMPSAXKJM-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)CCC2 ZINC000367712426 156228807 /nfs/dbraw/zinc/22/88/07/156228807.db2.gz JWVHIVUMHJXKLF-JONQDZQNSA-N 1 0 288.347 2.454 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375035458 157043390 /nfs/dbraw/zinc/04/33/90/157043390.db2.gz FOHYYDVMIMTTBU-DZGCQCFKSA-N 1 0 275.352 2.121 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC23CCOCC3)c1 ZINC000376109190 157185085 /nfs/dbraw/zinc/18/50/85/157185085.db2.gz DFAGTAYGKOQUPW-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159852777 162316679 /nfs/dbraw/zinc/31/66/79/162316679.db2.gz VYVUUSXXESMBDP-GFCCVEGCSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)CCCCC3)n1 ZINC000176263519 165159313 /nfs/dbraw/zinc/15/93/13/165159313.db2.gz RHAITAPPDVQGSH-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO CC(C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176287278 165160805 /nfs/dbraw/zinc/16/08/05/165160805.db2.gz KBZIIMZWDBCBSJ-GFCCVEGCSA-N 1 0 266.345 2.159 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177206228 165187855 /nfs/dbraw/zinc/18/78/55/165187855.db2.gz QKJXKNAAWCYVEV-STQMWFEESA-N 1 0 296.396 2.151 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000181463889 165346712 /nfs/dbraw/zinc/34/67/12/165346712.db2.gz YMSAOYTUTALYMN-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563170385 298746389 /nfs/dbraw/zinc/74/63/89/298746389.db2.gz QYUJDXCNYUDBGH-MNOVXSKESA-N 1 0 279.340 2.067 20 5 CEBDRO C[NH2+]CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003708424 169908348 /nfs/dbraw/zinc/90/83/48/169908348.db2.gz NDXGTUBDNSFDOA-UHFFFAOYSA-N 1 0 263.322 2.480 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000020208232 171072024 /nfs/dbraw/zinc/07/20/24/171072024.db2.gz OUDYDBYAOYHTHH-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000020208260 171072545 /nfs/dbraw/zinc/07/25/45/171072545.db2.gz NRMVTNUCGFPDFY-GWCFXTLKSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284959937 196165095 /nfs/dbraw/zinc/16/50/95/196165095.db2.gz FJLSDFMIFJYSPS-LQJRIPTKSA-N 1 0 279.340 2.131 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035247565 172078695 /nfs/dbraw/zinc/07/86/95/172078695.db2.gz NMWPTKWMYLGNSW-ZWNOBZJWSA-N 1 0 280.324 2.261 20 5 CEBDRO COC[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285458464 196290726 /nfs/dbraw/zinc/29/07/26/196290726.db2.gz ZBBUZKSKZMWHGC-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045072375 175301711 /nfs/dbraw/zinc/30/17/11/175301711.db2.gz BPZLHYCVKGTDSZ-NSHDSACASA-N 1 0 279.340 2.162 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000071147793 176043861 /nfs/dbraw/zinc/04/38/61/176043861.db2.gz RHHNLSAKHPDKCV-JTQLQIEISA-N 1 0 283.759 2.290 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270594 176104066 /nfs/dbraw/zinc/10/40/66/176104066.db2.gz BCICZIBCUPTLDQ-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417403508 533682536 /nfs/dbraw/zinc/68/25/36/533682536.db2.gz NVYCVVWDRARWAQ-CORIIIEPSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ccnc1 ZINC000449075953 261150988 /nfs/dbraw/zinc/15/09/88/261150988.db2.gz OGMPXTRVDAROAK-STQMWFEESA-N 1 0 288.351 2.401 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189977285 270265729 /nfs/dbraw/zinc/26/57/29/270265729.db2.gz MGHJFEXKDAIOGP-GXTWGEPZSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323029 270334372 /nfs/dbraw/zinc/33/43/72/270334372.db2.gz LCYXZPUDLKTPLY-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395212734 270346459 /nfs/dbraw/zinc/34/64/59/270346459.db2.gz QOKOHWMXUPKBPV-CHWSQXEVSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271515 270352763 /nfs/dbraw/zinc/35/27/63/270352763.db2.gz XKUZRQYWLGZADI-MBNYWOFBSA-N 1 0 277.368 2.400 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697959 270361001 /nfs/dbraw/zinc/36/10/01/270361001.db2.gz RXEJVRZBTSLHRN-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000398697965 270361310 /nfs/dbraw/zinc/36/13/10/270361310.db2.gz RXEJVRZBTSLHRN-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000398698603 270361487 /nfs/dbraw/zinc/36/14/87/270361487.db2.gz SCIDZTXFAKEYNW-NEPJUHHUSA-N 1 0 294.351 2.054 20 5 CEBDRO CC[C@H](NCCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000420395212 270534288 /nfs/dbraw/zinc/53/42/88/270534288.db2.gz DDEIZUYUYDAJFU-ZDUSSCGKSA-N 1 0 251.330 2.245 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422940783 270804266 /nfs/dbraw/zinc/80/42/66/270804266.db2.gz JAKMRHZDZRBLEN-CHWSQXEVSA-N 1 0 263.341 2.344 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423582551 270926522 /nfs/dbraw/zinc/92/65/22/270926522.db2.gz AOMIEIJDSDHSBT-RYUDHWBXSA-N 1 0 291.351 2.211 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC23CC3)c([N+](=O)[O-])cc1OC ZINC000424182281 271029773 /nfs/dbraw/zinc/02/97/73/271029773.db2.gz GKMGQAXCYJRHEL-CYBMUJFWSA-N 1 0 278.308 2.254 20 5 CEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC12CC2 ZINC000424332956 271046233 /nfs/dbraw/zinc/04/62/33/271046233.db2.gz XFBKQJBQPJOQIE-GWCFXTLKSA-N 1 0 289.335 2.454 20 5 CEBDRO CCn1nccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000429726124 271344021 /nfs/dbraw/zinc/34/40/21/271344021.db2.gz QJJZXSSXRLUXQP-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)C(C)C ZINC000430212491 271362925 /nfs/dbraw/zinc/36/29/25/271362925.db2.gz NPPSCHOWOVCGLP-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550699 271388817 /nfs/dbraw/zinc/38/88/17/271388817.db2.gz ZLYYDOVGIHNJHJ-IUODEOHRSA-N 1 0 293.367 2.033 20 5 CEBDRO COCC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000275426516 274031263 /nfs/dbraw/zinc/03/12/63/274031263.db2.gz IIMZMAGHRVRKBQ-ZDUSSCGKSA-N 1 0 293.367 2.060 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351760320 274352931 /nfs/dbraw/zinc/35/29/31/274352931.db2.gz UHNGWRSRXRLICS-NXEZZACHSA-N 1 0 299.321 2.397 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415293102 274762500 /nfs/dbraw/zinc/76/25/00/274762500.db2.gz IFWUIOGNCSVTTP-SECBINFHSA-N 1 0 280.328 2.023 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173562299 276167530 /nfs/dbraw/zinc/16/75/30/276167530.db2.gz ZCHIFNJARZKJHE-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237143992 276687987 /nfs/dbraw/zinc/68/79/87/276687987.db2.gz FJEBORXLNQBESX-STQMWFEESA-N 1 0 291.351 2.014 20 5 CEBDRO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccco1 ZINC000192764063 276827838 /nfs/dbraw/zinc/82/78/38/276827838.db2.gz RYDCBBSRWRJMTQ-ZDUSSCGKSA-N 1 0 290.323 2.485 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000097727412 276838146 /nfs/dbraw/zinc/83/81/46/276838146.db2.gz ODYHYEYELNXTIV-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000297236857 277004240 /nfs/dbraw/zinc/00/42/40/277004240.db2.gz UKXOVLQAETXULC-LLVKDONJSA-N 1 0 289.339 2.002 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000053202240 277042007 /nfs/dbraw/zinc/04/20/07/277042007.db2.gz HRVFFXNMTFDASG-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO C[NH2+]C[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251244769 277280108 /nfs/dbraw/zinc/28/01/08/277280108.db2.gz HEGGASQFDLVFGO-NEPJUHHUSA-N 1 0 263.341 2.197 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963606 277629210 /nfs/dbraw/zinc/62/92/10/277629210.db2.gz JUYDPKFPMAIZOC-GHMZBOCLSA-N 1 0 250.298 2.424 20 5 CEBDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000049075178 278349255 /nfs/dbraw/zinc/34/92/55/278349255.db2.gz SVONXLQDCAEXNZ-LLVKDONJSA-N 1 0 260.297 2.142 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)O1 ZINC000296842920 278921963 /nfs/dbraw/zinc/92/19/63/278921963.db2.gz OIJVAOBCXSLYKY-KBVBSXBZSA-N 1 0 290.323 2.127 20 5 CEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590229 279088895 /nfs/dbraw/zinc/08/88/95/279088895.db2.gz YXCOFRIPGPNXCO-ZJUUUORDSA-N 1 0 282.369 2.114 20 5 CEBDRO C[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230195 279360732 /nfs/dbraw/zinc/36/07/32/279360732.db2.gz ZXWGHRUZMHQZBQ-NOZJJQNGSA-N 1 0 264.325 2.288 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000134079552 280012557 /nfs/dbraw/zinc/01/25/57/280012557.db2.gz VUFZACHNNXAUFE-RISCZKNCSA-N 1 0 291.351 2.223 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313250844 280106104 /nfs/dbraw/zinc/10/61/04/280106104.db2.gz DDIFGKYZHYRUJP-WUKHSURWSA-N 1 0 291.351 2.098 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000261596150 280529340 /nfs/dbraw/zinc/52/93/40/280529340.db2.gz CAAZWQMBYFYMFE-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396798635 280676474 /nfs/dbraw/zinc/67/64/74/280676474.db2.gz GTIVPKHHHQZWDH-GFCCVEGCSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000365057287 281229215 /nfs/dbraw/zinc/22/92/15/281229215.db2.gz VLSUJGQLCRWGMF-GXTWGEPZSA-N 1 0 275.352 2.434 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000362732878 281257727 /nfs/dbraw/zinc/25/77/27/281257727.db2.gz IDNHIMUKGSOSMH-VXGBXAGGSA-N 1 0 291.351 2.116 20 5 CEBDRO COC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447581596 281841138 /nfs/dbraw/zinc/84/11/38/281841138.db2.gz VLBRTSJODOKCPO-RYUDHWBXSA-N 1 0 296.371 2.290 20 5 CEBDRO CC(C)OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597331 281844097 /nfs/dbraw/zinc/84/40/97/281844097.db2.gz FCAMXJSSXDRNDP-OLZOCXBDSA-N 1 0 296.371 2.290 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447903139 281888053 /nfs/dbraw/zinc/88/80/53/281888053.db2.gz GRWUVMZTXWYNKV-GLQYFDAESA-N 1 0 294.351 2.094 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000448602650 281942692 /nfs/dbraw/zinc/94/26/92/281942692.db2.gz BLSDAYPPEIUYLL-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000152423139 289088173 /nfs/dbraw/zinc/08/81/73/289088173.db2.gz YSXALAOEWZAABV-VXGBXAGGSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000261850715 289162364 /nfs/dbraw/zinc/16/23/64/289162364.db2.gz WSIVUMNLAGZQHV-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO C[NH+](C)C[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000269607979 289211979 /nfs/dbraw/zinc/21/19/79/289211979.db2.gz CZJGVFKYTOLYLG-SECBINFHSA-N 1 0 285.294 2.403 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252730458 289502818 /nfs/dbraw/zinc/50/28/18/289502818.db2.gz LLISDLAQLODBQN-XCJKDKRRSA-N 1 0 284.381 2.403 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459798890 290244857 /nfs/dbraw/zinc/24/48/57/290244857.db2.gz UVRMKFCVLKBZFH-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343583 290391697 /nfs/dbraw/zinc/39/16/97/290391697.db2.gz GCUGQPXMFIGSHM-CHWSQXEVSA-N 1 0 275.352 2.373 20 5 CEBDRO Nc1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000376158646 295353604 /nfs/dbraw/zinc/35/36/04/295353604.db2.gz QCIDLJUQRQPVDT-ZDUSSCGKSA-N 1 0 290.367 2.242 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530749255 298083531 /nfs/dbraw/zinc/08/35/31/298083531.db2.gz WWDGYYVKQRXHRC-AAEUAGOBSA-N 1 0 291.351 2.032 20 5 CEBDRO CC/C=C/CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547350510 298364309 /nfs/dbraw/zinc/36/43/09/298364309.db2.gz ZPCGYRLBYSGBAN-ONEGZZNKSA-N 1 0 290.367 2.468 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(CC[C@H]3CC[NH2+]C3)c2)cc1 ZINC000517555557 313111332 /nfs/dbraw/zinc/11/13/32/313111332.db2.gz JASRYHFRBQQVRR-GFCCVEGCSA-N 1 0 286.335 2.458 20 5 CEBDRO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000530584260 313300093 /nfs/dbraw/zinc/30/00/93/313300093.db2.gz PDNYRXZDJUFHSX-CQSZACIVSA-N 1 0 293.367 2.331 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569823575 314016855 /nfs/dbraw/zinc/01/68/55/314016855.db2.gz FMWRVGFCOMAYEP-QWHCGFSZSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@@H](O)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000573083860 314139153 /nfs/dbraw/zinc/13/91/53/314139153.db2.gz FYSPAGANUDBMQY-VXGBXAGGSA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000574137691 314189130 /nfs/dbraw/zinc/18/91/30/314189130.db2.gz DLOJKROKOPTUMP-BDAKNGLRSA-N 1 0 280.303 2.166 20 5 CEBDRO Cc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000577209352 314352687 /nfs/dbraw/zinc/35/26/87/314352687.db2.gz KBBLOUKPBBIHRP-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000577486569 314382171 /nfs/dbraw/zinc/38/21/71/314382171.db2.gz HJYWHGZTQJGJDQ-WDEREUQCSA-N 1 0 290.367 2.126 20 5 CEBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000578983280 314535488 /nfs/dbraw/zinc/53/54/88/314535488.db2.gz YDDPPEABPMKIEI-IINYFYTJSA-N 1 0 286.335 2.317 20 5 CEBDRO Cc1c(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000399762259 326809724 /nfs/dbraw/zinc/80/97/24/326809724.db2.gz YXJFVBCDJAICEY-GXFFZTMASA-N 1 0 279.340 2.461 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000584232623 327071233 /nfs/dbraw/zinc/07/12/33/327071233.db2.gz FOQHKRDXWZLSDB-CYBMUJFWSA-N 1 0 299.334 2.071 20 5 CEBDRO CC(C)C[NH+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000157644146 519717382 /nfs/dbraw/zinc/71/73/82/519717382.db2.gz YUFYSRQPNMCPJS-UHFFFAOYSA-N 1 0 268.361 2.405 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000414436928 533874329 /nfs/dbraw/zinc/87/43/29/533874329.db2.gz CKKQMLJMKKSSGP-UHFFFAOYSA-N 1 0 286.335 2.368 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+](C)C)CC1 ZINC000061569793 518290965 /nfs/dbraw/zinc/29/09/65/518290965.db2.gz KAGSEGJDHKCPMM-UHFFFAOYSA-N 1 0 291.351 2.328 20 5 CEBDRO Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000050162431 524210220 /nfs/dbraw/zinc/21/02/20/524210220.db2.gz NKRGCPQWTMDLIY-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000183343723 525563875 /nfs/dbraw/zinc/56/38/75/525563875.db2.gz GJHNNQZGRCYGES-ZDUSSCGKSA-N 1 0 277.368 2.287 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000052812753 525578278 /nfs/dbraw/zinc/57/82/78/525578278.db2.gz ZEBHBVFKNSJIGW-QWHCGFSZSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000149573113 525731217 /nfs/dbraw/zinc/73/12/17/525731217.db2.gz GQGJQDMUQMBRDS-PWSUYJOCSA-N 1 0 250.298 2.170 20 5 CEBDRO O=C(C[N@@H+]1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363384019 526758291 /nfs/dbraw/zinc/75/82/91/526758291.db2.gz FBKGTPKXCLLONB-ZDUSSCGKSA-N 1 0 289.335 2.408 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000412036445 528611499 /nfs/dbraw/zinc/61/14/99/528611499.db2.gz MFIXZSTWBMQEGW-UHFFFAOYSA-N 1 0 266.345 2.302 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727824441 574456392 /nfs/dbraw/zinc/45/63/92/574456392.db2.gz PPRHCLWIPBPKGY-LLVKDONJSA-N 1 0 252.318 2.240 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754372794 574581711 /nfs/dbraw/zinc/58/17/11/574581711.db2.gz KFOAXNZSVLJNNM-NSHDSACASA-N 1 0 281.331 2.260 20 5 CEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000933254831 623561596 /nfs/dbraw/zinc/56/15/96/623561596.db2.gz WNMWTMSEDJSZNB-AWEZNQCLSA-N 1 0 292.383 2.152 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+](C)C)c1C ZINC000891416547 623613875 /nfs/dbraw/zinc/61/38/75/623613875.db2.gz VLCDVBPWTLOQQC-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000934124417 624245780 /nfs/dbraw/zinc/24/57/80/624245780.db2.gz HWDSHUKQGIJOIH-ZIAGYGMSSA-N 1 0 264.325 2.247 20 5 CEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892521090 625889606 /nfs/dbraw/zinc/88/96/06/625889606.db2.gz IXBDGNOXBHBAJI-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000820596679 634467290 /nfs/dbraw/zinc/46/72/90/634467290.db2.gz UJIJUEKLAFPGED-UFBFGSQYSA-N 1 0 285.294 2.402 20 5 CEBDRO COc1cc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000820619463 634477485 /nfs/dbraw/zinc/47/74/85/634477485.db2.gz PCRQPVKPGUPPJO-UHFFFAOYSA-N 1 0 293.367 2.442 20 5 CEBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178356511 628192437 /nfs/dbraw/zinc/19/24/37/628192437.db2.gz SXIFFHRWVXUZLV-JTQLQIEISA-N 1 0 268.288 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000312643857 628358037 /nfs/dbraw/zinc/35/80/37/628358037.db2.gz DJALQEQZWFHVBF-CMPLNLGQSA-N 1 0 286.278 2.406 20 5 CEBDRO CC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000123893242 628476239 /nfs/dbraw/zinc/47/62/39/628476239.db2.gz TYGKXSZVLJFRBS-UHFFFAOYSA-N 1 0 252.318 2.259 20 5 CEBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931372790 628545834 /nfs/dbraw/zinc/54/58/34/628545834.db2.gz PXTUUDADKPYDKE-NSHDSACASA-N 1 0 274.324 2.019 20 5 CEBDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000902472461 634664477 /nfs/dbraw/zinc/66/44/77/634664477.db2.gz AFJDVVXLONOTRQ-PCGAWMICSA-N 1 0 261.325 2.138 20 5 CEBDRO Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1[N+](=O)[O-] ZINC000902473022 634665121 /nfs/dbraw/zinc/66/51/21/634665121.db2.gz OKXKXIDTWDCCMX-AHLTXXRQSA-N 1 0 275.352 2.447 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633700 628688144 /nfs/dbraw/zinc/68/81/44/628688144.db2.gz QBCDMQRFOUHBSV-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO CN(CCC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000162871057 628732823 /nfs/dbraw/zinc/73/28/23/628732823.db2.gz CDEVKKGRORONNP-UHFFFAOYSA-N 1 0 291.307 2.192 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CCCO)cccc1[N+](=O)[O-] ZINC000094943735 628883923 /nfs/dbraw/zinc/88/39/23/628883923.db2.gz MDVJUZNMXLNURL-JTQLQIEISA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000925826122 628905722 /nfs/dbraw/zinc/90/57/22/628905722.db2.gz LZAVDKMQHARWRZ-SCRDCRAPSA-N 1 0 293.367 2.012 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181815 628983751 /nfs/dbraw/zinc/98/37/51/628983751.db2.gz DRWBSENCTPNMNK-GHMZBOCLSA-N 1 0 279.340 2.160 20 5 CEBDRO CSC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894057606 629107069 /nfs/dbraw/zinc/10/70/69/629107069.db2.gz ZWTJTSSBOAOMMU-UHFFFAOYSA-N 1 0 292.364 2.455 20 5 CEBDRO Cc1nonc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954797 629292140 /nfs/dbraw/zinc/29/21/40/629292140.db2.gz JXGSARHULKGXKM-VIFPVBQESA-N 1 0 276.296 2.180 20 5 CEBDRO Cc1ccnc(N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000894797585 629645965 /nfs/dbraw/zinc/64/59/65/629645965.db2.gz NMTMLPOZZTWQLQ-GJZGRUSLSA-N 1 0 290.367 2.076 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049217054 629854725 /nfs/dbraw/zinc/85/47/25/629854725.db2.gz AGBCOGXJFZVBTQ-GFCCVEGCSA-N 1 0 297.330 2.050 20 5 CEBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000895122049 629924831 /nfs/dbraw/zinc/92/48/31/629924831.db2.gz JUWXQUUNZPYUSF-SECBINFHSA-N 1 0 284.287 2.023 20 5 CEBDRO CO[C@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895539995 630241233 /nfs/dbraw/zinc/24/12/33/630241233.db2.gz OUBUTLHJAVVRDL-HOMQSWHASA-N 1 0 291.307 2.251 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000895737663 630327459 /nfs/dbraw/zinc/32/74/59/630327459.db2.gz QVFFMEPHXOWBMT-UWVGGRQHSA-N 1 0 265.313 2.108 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)s1 ZINC000896517809 630587197 /nfs/dbraw/zinc/58/71/97/630587197.db2.gz JVPATUAZDHCUPW-LLVKDONJSA-N 1 0 297.380 2.322 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000896851362 630690802 /nfs/dbraw/zinc/69/08/02/630690802.db2.gz SXJSKPRGHMBUIE-LZWOXQAQSA-N 1 0 288.347 2.318 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912920 630797939 /nfs/dbraw/zinc/79/79/39/630797939.db2.gz JSWYRNNBGLFGMC-RNCFNFMXSA-N 1 0 296.758 2.031 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000897132241 630951143 /nfs/dbraw/zinc/95/11/43/630951143.db2.gz JUJJNYGBYJWTFY-UHFFFAOYSA-N 1 0 296.758 2.318 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000897419428 631339027 /nfs/dbraw/zinc/33/90/27/631339027.db2.gz KFUFTNMXPSBNRM-UHFFFAOYSA-N 1 0 272.374 2.075 20 5 CEBDRO C[C@H](C[NH2+]Cc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000897468885 631534130 /nfs/dbraw/zinc/53/41/30/631534130.db2.gz AUPYGBLJQKPXEO-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO C[C@@H](C[NH2+]Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897469092 631536338 /nfs/dbraw/zinc/53/63/38/631536338.db2.gz CVSZKWHYLHTPPO-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804424259 631680715 /nfs/dbraw/zinc/68/07/15/631680715.db2.gz HRSPJALSXMUSEC-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804521182 631698570 /nfs/dbraw/zinc/69/85/70/631698570.db2.gz LHZRJDMLXPASNA-JTQLQIEISA-N 1 0 294.311 2.399 20 5 CEBDRO O=C(NCC[NH2+]C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011141 631706839 /nfs/dbraw/zinc/70/68/39/631706839.db2.gz LRYPPDVMGXJVPW-UHFFFAOYSA-N 1 0 298.730 2.122 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897676317 631862025 /nfs/dbraw/zinc/86/20/25/631862025.db2.gz KSVVCBZGHAPWTC-YGRLFVJLSA-N 1 0 264.325 2.024 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[NH+](C)C ZINC000807938787 631889524 /nfs/dbraw/zinc/88/95/24/631889524.db2.gz IARZYUJMDFVOPF-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1Cl ZINC000897849286 631944314 /nfs/dbraw/zinc/94/43/14/631944314.db2.gz VFALMNAWQRZSJV-YHECAPGISA-N 1 0 282.727 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898195858 632110318 /nfs/dbraw/zinc/11/03/18/632110318.db2.gz ZPRMUEXGTNJBRH-HNNXBMFYSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1nn(CN2CC(C)(C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000840183895 632132447 /nfs/dbraw/zinc/13/24/47/632132447.db2.gz OWAVTVCCZLDVKC-VIFPVBQESA-N 1 0 266.345 2.486 20 5 CEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCO ZINC000811471989 632388397 /nfs/dbraw/zinc/38/83/97/632388397.db2.gz QGRIHOHSXPXBEP-UHFFFAOYSA-N 1 0 279.123 2.374 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000041677919 632444677 /nfs/dbraw/zinc/44/46/77/632444677.db2.gz QZQYIRHWCRCEMO-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000811859098 632456725 /nfs/dbraw/zinc/45/67/25/632456725.db2.gz MVENITXJEBIHLY-LLVKDONJSA-N 1 0 291.355 2.383 20 5 CEBDRO C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000814042134 632779796 /nfs/dbraw/zinc/77/97/96/632779796.db2.gz GVTIBHMPBVYKKU-LBPRGKRZSA-N 1 0 292.335 2.104 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(OC[C@@H]2CCCC[NH2+]C2)n1 ZINC000899629714 632925961 /nfs/dbraw/zinc/92/59/61/632925961.db2.gz ITGDOQSAHHQPHH-GFCCVEGCSA-N 1 0 279.340 2.375 20 5 CEBDRO Cn1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000815132633 632967533 /nfs/dbraw/zinc/96/75/33/632967533.db2.gz GPEAZHJELSEHAH-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598443 633037097 /nfs/dbraw/zinc/03/70/97/633037097.db2.gz VLOKSRIDWQMAFK-DLOVCJGASA-N 1 0 279.340 2.131 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207521 634105014 /nfs/dbraw/zinc/10/50/14/634105014.db2.gz MPCONUKZFQGSJF-VHDGCEQUSA-N 1 0 294.351 2.033 20 5 CEBDRO COC1(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819332423 634143173 /nfs/dbraw/zinc/14/31/73/634143173.db2.gz RMZMGMAEEIJCHQ-AWEZNQCLSA-N 1 0 294.351 2.177 20 5 CEBDRO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819352572 634151172 /nfs/dbraw/zinc/15/11/72/634151172.db2.gz PCEDLHVJQHUHIG-KMUNFCNLSA-N 1 0 294.351 2.031 20 5 CEBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819364492 634157267 /nfs/dbraw/zinc/15/72/67/634157267.db2.gz UAEZNNMVCGYMLP-MJBXVCDLSA-N 1 0 264.325 2.262 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903097616 634977376 /nfs/dbraw/zinc/97/73/76/634977376.db2.gz HBMDIYCGRLLSEU-QMTHXVAHSA-N 1 0 282.340 2.271 20 5 CEBDRO Cc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822723516 634981446 /nfs/dbraw/zinc/98/14/46/634981446.db2.gz WPLVFDGXNREZAQ-MXWKQRLJSA-N 1 0 286.291 2.376 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903158877 634992985 /nfs/dbraw/zinc/99/29/85/634992985.db2.gz WCNXCFSXALTJGU-WDMOLILDSA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2COC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903223600 635022974 /nfs/dbraw/zinc/02/29/74/635022974.db2.gz HQVZCWZKKUYZMB-BFVZDQMLSA-N 1 0 280.324 2.289 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(CC(N)=O)C1 ZINC000903259318 635032879 /nfs/dbraw/zinc/03/28/79/635032879.db2.gz DMTCQTFGTQVDRB-UNXYVOJBSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903286829 635050597 /nfs/dbraw/zinc/05/05/97/635050597.db2.gz HPOIAWUUIMIMIF-WDMOLILDSA-N 1 0 263.341 2.196 20 5 CEBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)[C@H](C)[NH3+] ZINC000823069625 635059269 /nfs/dbraw/zinc/05/92/69/635059269.db2.gz QXFLYSHGDFUQLP-RITPCOANSA-N 1 0 268.298 2.157 20 5 CEBDRO CC(C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@@H](C)[NH3+] ZINC000823270545 635119869 /nfs/dbraw/zinc/11/98/69/635119869.db2.gz SLGJENVQSUXZKL-GMSGAONNSA-N 1 0 280.284 2.325 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000903964761 635399034 /nfs/dbraw/zinc/39/90/34/635399034.db2.gz QDZLEJXWAHPGOG-KOLCDFICSA-N 1 0 283.759 2.193 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903987803 635406769 /nfs/dbraw/zinc/40/67/69/635406769.db2.gz JVIAKEJRVJLKAA-GVXVVHGQSA-N 1 0 263.341 2.243 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2CO)cc1Cl ZINC000825188728 635588356 /nfs/dbraw/zinc/58/83/56/635588356.db2.gz NKHSPWHPEQXJJZ-JQWIXIFHSA-N 1 0 284.743 2.499 20 5 CEBDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000827335541 636297862 /nfs/dbraw/zinc/29/78/62/636297862.db2.gz PNDVPQAHBOVYBC-UHFFFAOYSA-N 1 0 295.339 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000905667898 636374508 /nfs/dbraw/zinc/37/45/08/636374508.db2.gz RRZVEVCBYGMXOH-AQNFWKISSA-N 1 0 276.336 2.406 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642015 636378280 /nfs/dbraw/zinc/37/82/80/636378280.db2.gz GBAVBDHNKGLDMD-CHWSQXEVSA-N 1 0 296.367 2.074 20 5 CEBDRO CCOCC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644915 636380393 /nfs/dbraw/zinc/38/03/93/636380393.db2.gz UHSDTYZTCSVYDK-OLZOCXBDSA-N 1 0 296.367 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)cn1 ZINC000906170785 636632676 /nfs/dbraw/zinc/63/26/76/636632676.db2.gz JOGFYUOLVVXGGH-LBPRGKRZSA-N 1 0 285.307 2.261 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149111806 636668561 /nfs/dbraw/zinc/66/85/61/636668561.db2.gz JBBQTKQMPADMLV-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829624788 636896290 /nfs/dbraw/zinc/89/62/90/636896290.db2.gz QMELGSBJNWQQIQ-YGRLFVJLSA-N 1 0 280.299 2.345 20 5 CEBDRO CC(C)(CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000830584748 637104938 /nfs/dbraw/zinc/10/49/38/637104938.db2.gz ZTSSXPGVJFJPDD-UHFFFAOYSA-N 1 0 299.415 2.060 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876744693 650417117 /nfs/dbraw/zinc/41/71/17/650417117.db2.gz VYUQRGRGEXAGJE-DZGCQCFKSA-N 1 0 289.379 2.395 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000912592075 638737194 /nfs/dbraw/zinc/73/71/94/638737194.db2.gz LRRAJZNXHRWEQN-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876872968 650467361 /nfs/dbraw/zinc/46/73/61/650467361.db2.gz SITNVHNJGWKEBK-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226109489 639524374 /nfs/dbraw/zinc/52/43/74/639524374.db2.gz KKLSBNVGZOYUEY-CQSZACIVSA-N 1 0 266.341 2.134 20 5 CEBDRO C[N@H+](CCCCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000227113669 639573455 /nfs/dbraw/zinc/57/34/55/639573455.db2.gz IEEYDMDWPNHCDS-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109167 639617654 /nfs/dbraw/zinc/61/76/54/639617654.db2.gz FKNBHNRMHLOVCH-DTWKUNHWSA-N 1 0 272.732 2.497 20 5 CEBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000228372541 639632678 /nfs/dbraw/zinc/63/26/78/639632678.db2.gz HGQMNHCTRMFXLW-MFKMUULPSA-N 1 0 284.381 2.105 20 5 CEBDRO CC[NH2+][C@H](C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841064273 639639461 /nfs/dbraw/zinc/63/94/61/639639461.db2.gz AOZZCRBLGQBMQN-SECBINFHSA-N 1 0 271.748 2.336 20 5 CEBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H](C)[NH3+] ZINC000841233197 639713791 /nfs/dbraw/zinc/71/37/91/639713791.db2.gz OEHVZSSKOUQAGG-NKWVEPMBSA-N 1 0 286.719 2.105 20 5 CEBDRO Cc1c(C[NH2+]C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000231885348 639882268 /nfs/dbraw/zinc/88/22/68/639882268.db2.gz IRCNGVSWLCYWTK-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877026282 650536383 /nfs/dbraw/zinc/53/63/83/650536383.db2.gz BNEUNEPTOKNDJA-LLVKDONJSA-N 1 0 292.257 2.304 20 5 CEBDRO [NH3+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843047118 640251406 /nfs/dbraw/zinc/25/14/06/640251406.db2.gz HLJCMRMYWAZJCG-UHFFFAOYSA-N 1 0 283.759 2.419 20 5 CEBDRO Cc1ccc(-c2noc([C@]3(C)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843178641 640328850 /nfs/dbraw/zinc/32/88/50/640328850.db2.gz INHYBXDYPBPICD-CQSZACIVSA-N 1 0 288.307 2.204 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178904 640330208 /nfs/dbraw/zinc/33/02/08/640330208.db2.gz PWPIFLDKWLEEAQ-VIFPVBQESA-N 1 0 276.296 2.276 20 5 CEBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238812 640365221 /nfs/dbraw/zinc/36/52/21/640365221.db2.gz ZZFAFHFSQZTBTB-SSDOTTSWSA-N 1 0 266.257 2.298 20 5 CEBDRO Cc1nn(C[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179543564 641362141 /nfs/dbraw/zinc/36/21/41/641362141.db2.gz XUZMXKYAJJKGDR-UHFFFAOYSA-N 1 0 260.297 2.305 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000070141119 641635922 /nfs/dbraw/zinc/63/59/22/641635922.db2.gz OIXVMIOQXOTCAP-LBPRGKRZSA-N 1 0 262.265 2.011 20 5 CEBDRO C[NH2+][C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000848620682 642076542 /nfs/dbraw/zinc/07/65/42/642076542.db2.gz FYGCNUJAHXEIPO-QMMMGPOBSA-N 1 0 262.269 2.234 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2=[NH+]CCCCN2)c1 ZINC000849217883 642287324 /nfs/dbraw/zinc/28/73/24/642287324.db2.gz RIKDDOPUVSTUBM-UHFFFAOYSA-N 1 0 282.731 2.077 20 5 CEBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000849331856 642334819 /nfs/dbraw/zinc/33/48/19/642334819.db2.gz XVRARFJZBLTXBG-VXGBXAGGSA-N 1 0 286.278 2.263 20 5 CEBDRO COc1cncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000850117994 642584945 /nfs/dbraw/zinc/58/49/45/642584945.db2.gz CXRPWHMWARICKD-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO CC[C@@H]([NH2+]CCN(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000850481194 642728209 /nfs/dbraw/zinc/72/82/09/642728209.db2.gz YZCSHLDLQFRPEV-CYBMUJFWSA-N 1 0 267.329 2.129 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850515545 642737058 /nfs/dbraw/zinc/73/70/58/642737058.db2.gz YGVDOOJGLCQGFN-DLOVCJGASA-N 1 0 279.340 2.395 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850572324 642755073 /nfs/dbraw/zinc/75/50/73/642755073.db2.gz ZPZDUKRFKIRHFP-CKLFPEKLSA-N 1 0 265.313 2.005 20 5 CEBDRO Cc1c(C[NH+]2CC(C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000877581271 650799531 /nfs/dbraw/zinc/79/95/31/650799531.db2.gz TYSIDBGOISIGPJ-UHFFFAOYSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1noc(C[N@@H+]2CCCC23CCC3)c1[N+](=O)[O-] ZINC000851990018 643256156 /nfs/dbraw/zinc/25/61/56/643256156.db2.gz NCOSRNMPRRSWSK-UHFFFAOYSA-N 1 0 251.286 2.410 20 5 CEBDRO CC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111728752 643947277 /nfs/dbraw/zinc/94/72/77/643947277.db2.gz FUOYKVJBHHTIBE-UHFFFAOYSA-N 1 0 262.309 2.396 20 5 CEBDRO C[C@H](NCC1([NH3+])CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222516 644015291 /nfs/dbraw/zinc/01/52/91/644015291.db2.gz HRZQFSKHVMBVCX-JTQLQIEISA-N 1 0 278.356 2.099 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000839197292 644190044 /nfs/dbraw/zinc/19/00/44/644190044.db2.gz XNVXVPDPTKUMMI-KJEVXHAQSA-N 1 0 276.336 2.406 20 5 CEBDRO CC[NH+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850480 644285955 /nfs/dbraw/zinc/28/59/55/644285955.db2.gz MKJLJARKGGYPTM-UHFFFAOYSA-N 1 0 276.296 2.487 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877806971 650916907 /nfs/dbraw/zinc/91/69/07/650916907.db2.gz NBIJECBQEPWMQX-ZDUSSCGKSA-N 1 0 292.335 2.070 20 5 CEBDRO C[N@H+](CCC1OCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000754640155 644406125 /nfs/dbraw/zinc/40/61/25/644406125.db2.gz SLNHQMULXGLTBR-UHFFFAOYSA-N 1 0 280.324 2.180 20 5 CEBDRO C[NH2+]C1(CNc2cc(OC)cc(F)c2[N+](=O)[O-])CCC1 ZINC000856763010 644712034 /nfs/dbraw/zinc/71/20/34/644712034.db2.gz VYNLGEJVWPRHOL-UHFFFAOYSA-N 1 0 283.303 2.297 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC1OCCCO1)C2 ZINC000757164824 644739212 /nfs/dbraw/zinc/73/92/12/644739212.db2.gz XTOLKGNQDMXUOK-UHFFFAOYSA-N 1 0 292.335 2.106 20 5 CEBDRO CCC(CC)[NH2+]CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000858609739 645220898 /nfs/dbraw/zinc/22/08/98/645220898.db2.gz YVXHEDABLCMCHW-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526319 645293239 /nfs/dbraw/zinc/29/32/39/645293239.db2.gz KMEBRSKKGPHDHH-MRVPVSSYSA-N 1 0 272.732 2.497 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859617364 645539068 /nfs/dbraw/zinc/53/90/68/645539068.db2.gz ZEPWREINVMZQRX-ZETCQYMHSA-N 1 0 286.719 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859626937 645544357 /nfs/dbraw/zinc/54/43/57/645544357.db2.gz IGNIOEHSGWMPLC-CQSZACIVSA-N 1 0 262.309 2.255 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000768525713 646135708 /nfs/dbraw/zinc/13/57/08/646135708.db2.gz KHHOSJHPPXLLPM-UWVGGRQHSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000771458309 646521360 /nfs/dbraw/zinc/52/13/60/646521360.db2.gz GIVCECDYALEYKI-QWRGUYRKSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000772086275 646593220 /nfs/dbraw/zinc/59/32/20/646593220.db2.gz BVJPZGQPYXFIQM-UHFFFAOYSA-N 1 0 284.287 2.233 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)C1CC1 ZINC000772988630 646693369 /nfs/dbraw/zinc/69/33/69/646693369.db2.gz SNMHPYAQIUMSGU-RISCZKNCSA-N 1 0 278.352 2.276 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccon2)n1 ZINC000774206202 646818839 /nfs/dbraw/zinc/81/88/39/646818839.db2.gz DAVMIKPAGOFSCN-NWDGAFQWSA-N 1 0 291.311 2.053 20 5 CEBDRO CC[C@@H]1CCN(C(=[NH2+])NCCc2ccccc2[N+](=O)[O-])C1 ZINC000864460078 647014870 /nfs/dbraw/zinc/01/48/70/647014870.db2.gz GEHBKCUCRPDIIT-GFCCVEGCSA-N 1 0 290.367 2.394 20 5 CEBDRO CCCC[N@H+](CCOC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581908 647073608 /nfs/dbraw/zinc/07/36/08/647073608.db2.gz IWXIAJBSIKNFPQ-OAHLLOKOSA-N 1 0 296.367 2.377 20 5 CEBDRO Cc1nn(C[N@@H+](CC2CC2)C(C)C)cc1[N+](=O)[O-] ZINC000779859958 647366535 /nfs/dbraw/zinc/36/65/35/647366535.db2.gz QLAWBCYPJDHRRE-UHFFFAOYSA-N 1 0 252.318 2.178 20 5 CEBDRO Cc1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1[N+](=O)[O-] ZINC000865787071 647463793 /nfs/dbraw/zinc/46/37/93/647463793.db2.gz GIZJOLLJIXESCE-UHFFFAOYSA-N 1 0 286.335 2.336 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865998561 647566633 /nfs/dbraw/zinc/56/66/33/647566633.db2.gz MUYNXVGDXKSSMJ-LBPRGKRZSA-N 1 0 293.367 2.160 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525628 647633401 /nfs/dbraw/zinc/63/34/01/647633401.db2.gz ZQDFTRQTIIGWTP-RNCFNFMXSA-N 1 0 293.298 2.157 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@H]2C[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525629 647633593 /nfs/dbraw/zinc/63/35/93/647633593.db2.gz ZQDFTRQTIIGWTP-TVQRCGJNSA-N 1 0 293.298 2.157 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3sccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207345 647672329 /nfs/dbraw/zinc/67/23/29/647672329.db2.gz HZUMIHVRECENSI-VHSXEESVSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCO1 ZINC000866213977 647675069 /nfs/dbraw/zinc/67/50/69/647675069.db2.gz FIYJRGTWVVQYDC-ZWNOBZJWSA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCOCC1 ZINC000866239397 647688186 /nfs/dbraw/zinc/68/81/86/647688186.db2.gz QYEPMBCWPXNOCC-SNVBAGLBSA-N 1 0 282.315 2.434 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287524 647718326 /nfs/dbraw/zinc/71/83/26/647718326.db2.gz OFPXSHOGBYBEHB-GWCFXTLKSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)C1CCC1 ZINC000866368480 647759320 /nfs/dbraw/zinc/75/93/20/647759320.db2.gz CPABTXYRUWKMKM-BONVTDFDSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000866612898 647842237 /nfs/dbraw/zinc/84/22/37/647842237.db2.gz DFRUSMOCXOSXBG-UWVGGRQHSA-N 1 0 289.339 2.322 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724916 647883287 /nfs/dbraw/zinc/88/32/87/647883287.db2.gz NXTTVAQATXQNGV-TZMCWYRMSA-N 1 0 279.315 2.060 20 5 CEBDRO CC[C@@]1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000785493336 647932421 /nfs/dbraw/zinc/93/24/21/647932421.db2.gz RHMCPTGDBYQGNW-CABCVRRESA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868001894 648017392 /nfs/dbraw/zinc/01/73/92/648017392.db2.gz OJDRXJLUAZLNGY-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H](NCCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017157 649242030 /nfs/dbraw/zinc/24/20/30/649242030.db2.gz VNPPREDCFACLPQ-JTQLQIEISA-N 1 0 269.320 2.336 20 5 CEBDRO C[C@@H](NC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019088 649242747 /nfs/dbraw/zinc/24/27/47/649242747.db2.gz SDWNLFPLXXDQNS-SNVBAGLBSA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019014 649242848 /nfs/dbraw/zinc/24/28/48/649242848.db2.gz RWMPADMRTAYWAJ-SNVBAGLBSA-N 1 0 278.287 2.281 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034854 649248429 /nfs/dbraw/zinc/24/84/29/649248429.db2.gz LQZRNLUAWSITIU-SKDRFNHKSA-N 1 0 270.304 2.401 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040100 649250791 /nfs/dbraw/zinc/25/07/91/649250791.db2.gz JMIHNNBGHOSRQT-UWVGGRQHSA-N 1 0 270.304 2.403 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078917 649266017 /nfs/dbraw/zinc/26/60/17/649266017.db2.gz UKTFOLMRTZSUHL-HLUHBDAQSA-N 1 0 268.288 2.298 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872085513 649268947 /nfs/dbraw/zinc/26/89/47/649268947.db2.gz ZIZGTKMQDXSKTJ-DTWKUNHWSA-N 1 0 274.267 2.105 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266092 649334210 /nfs/dbraw/zinc/33/42/10/649334210.db2.gz PTRGEHSIGBMAOR-BETUJISGSA-N 1 0 276.336 2.290 20 5 CEBDRO Cc1cc(C(=O)N2CC[NH2+]CCC2(C)C)ccc1[N+](=O)[O-] ZINC000872289802 649346200 /nfs/dbraw/zinc/34/62/00/649346200.db2.gz FICXEJONAWDSGN-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779811 649486736 /nfs/dbraw/zinc/48/67/36/649486736.db2.gz IKZZUNRGBXKJJF-WDEREUQCSA-N 1 0 296.758 2.316 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779810 649487015 /nfs/dbraw/zinc/48/70/15/649487015.db2.gz IKZZUNRGBXKJJF-QWRGUYRKSA-N 1 0 296.758 2.316 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781541 649488244 /nfs/dbraw/zinc/48/82/44/649488244.db2.gz VDQZGLOSDFGAGZ-UWVGGRQHSA-N 1 0 267.354 2.329 20 5 CEBDRO CC[C@H](O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873076824 649553220 /nfs/dbraw/zinc/55/32/20/649553220.db2.gz BPFZETLXVOZEFV-LBPRGKRZSA-N 1 0 266.341 2.462 20 5 CEBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873106649 649559416 /nfs/dbraw/zinc/55/94/16/649559416.db2.gz DMBVQDWLUWPCGL-OOPCZODUSA-N 1 0 264.325 2.320 20 5 CEBDRO CO[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873112149 649560025 /nfs/dbraw/zinc/56/00/25/649560025.db2.gz OXHCTWRTBAYFNF-SNVBAGLBSA-N 1 0 252.314 2.336 20 5 CEBDRO Cc1c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cccc1[N+](=O)[O-] ZINC000873149308 649570765 /nfs/dbraw/zinc/57/07/65/649570765.db2.gz BVNHXFNJEIASCW-XNHWPECASA-N 1 0 288.347 2.416 20 5 CEBDRO CO[C@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321735 651285368 /nfs/dbraw/zinc/28/53/68/651285368.db2.gz RDHWTSJTAWHMLF-STQMWFEESA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880000498 651371918 /nfs/dbraw/zinc/37/19/18/651371918.db2.gz ILBQGTZQQISZSB-JTQLQIEISA-N 1 0 292.261 2.066 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881803349 651887619 /nfs/dbraw/zinc/88/76/19/651887619.db2.gz RRSVNELHUUJCQS-SECBINFHSA-N 1 0 270.308 2.271 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000882072474 651952332 /nfs/dbraw/zinc/95/23/32/651952332.db2.gz FIBHGXBSPWTOAM-BDAKNGLRSA-N 1 0 280.303 2.166 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)C1CC1 ZINC000883002877 652318259 /nfs/dbraw/zinc/31/82/59/652318259.db2.gz QYKTVAOCTVHSGY-XKOZXHHJSA-N 1 0 276.336 2.359 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000800121181 652655770 /nfs/dbraw/zinc/65/57/70/652655770.db2.gz OMQIZHXFCNEJCI-UHFFFAOYSA-N 1 0 295.339 2.187 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000884078857 652697757 /nfs/dbraw/zinc/69/77/57/652697757.db2.gz ZBPXXPVQFJBNLZ-FZMZJTMJSA-N 1 0 293.367 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CCC2)cc1 ZINC000134209176 652794240 /nfs/dbraw/zinc/79/42/40/652794240.db2.gz LOOAFFRJDSBPPP-AWEZNQCLSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000884438152 652851047 /nfs/dbraw/zinc/85/10/47/652851047.db2.gz VIJPSAOBVJTTLG-CMPLNLGQSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+](C)C)c1C ZINC000885424185 653005746 /nfs/dbraw/zinc/00/57/46/653005746.db2.gz MQBZYGHYBSTZJH-UHFFFAOYSA-N 1 0 280.324 2.320 20 5 CEBDRO CC(C)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301726348 719328673 /nfs/dbraw/zinc/32/86/73/719328673.db2.gz ALKKNDLNOHXGIP-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO CN(c1cc(F)cc(F)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC000714239536 806087956 /nfs/dbraw/zinc/08/79/56/806087956.db2.gz XPDDFPIPRRXYQM-UHFFFAOYSA-N 1 0 259.256 2.047 20 5 CEBDRO CC1(C)CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[NH2+]1 ZINC000842312862 806780232 /nfs/dbraw/zinc/78/02/32/806780232.db2.gz AAKRIXNFMGVZOG-UHFFFAOYSA-N 1 0 292.364 2.393 20 5 CEBDRO CC1(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000698047714 806958676 /nfs/dbraw/zinc/95/86/76/806958676.db2.gz CTBFGWNDAJNUMQ-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC001167098367 802472087 /nfs/dbraw/zinc/47/20/87/802472087.db2.gz LLOZNFVJGJWHOH-UHFFFAOYSA-N 1 0 295.730 2.165 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001167275203 802622399 /nfs/dbraw/zinc/62/23/99/802622399.db2.gz ICUORWZLIHGLMO-JTQLQIEISA-N 1 0 260.297 2.192 20 5 CEBDRO CC(C)=C(F)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125592469 803131463 /nfs/dbraw/zinc/13/14/63/803131463.db2.gz GRRUXZKNPALCGN-UHFFFAOYSA-N 1 0 295.314 2.064 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724997878 803384093 /nfs/dbraw/zinc/38/40/93/803384093.db2.gz KSIYNJVYXOGHNF-YDGIUTOCSA-N 1 0 282.727 2.251 20 5 CEBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218387087 803595929 /nfs/dbraw/zinc/59/59/29/803595929.db2.gz WZVAATYIRMEYCI-RNCFNFMXSA-N 1 0 258.277 2.487 20 5 CEBDRO Cc1cc(O[C@@H]2C[NH2+][C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218389310 803596821 /nfs/dbraw/zinc/59/68/21/803596821.db2.gz YBWUCXUGSWVVQK-ZYHUDNBSSA-N 1 0 250.298 2.259 20 5 CEBDRO COC(=O)c1ccc(OC)cc1CO[C@@H](C)C[N+](C)(C)C ZINC001223007069 804211814 /nfs/dbraw/zinc/21/18/14/804211814.db2.gz CQVDCZISCVZZGE-LBPRGKRZSA-N 1 0 296.387 2.093 20 5 CEBDRO CCCOCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167873247 804531296 /nfs/dbraw/zinc/53/12/96/804531296.db2.gz IKOGMAAVYUMCTQ-UHFFFAOYSA-N 1 0 265.313 2.037 20 5 CEBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225592536 804989305 /nfs/dbraw/zinc/98/93/05/804989305.db2.gz HVUQAIKJESMNAW-XYPYZODXSA-N 1 0 265.313 2.241 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1NCC(F)(F)F)C[NH2+]C2 ZINC001161630290 805335243 /nfs/dbraw/zinc/33/52/43/805335243.db2.gz FMKUSZOWXBDUPC-UHFFFAOYSA-N 1 0 261.203 2.172 20 5 CEBDRO COC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001119242097 815077967 /nfs/dbraw/zinc/07/79/67/815077967.db2.gz RLIKFJFBRNODDV-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC001119288231 815083325 /nfs/dbraw/zinc/08/33/25/815083325.db2.gz ZKTHBPBLQHSOQF-GFCCVEGCSA-N 1 0 299.334 2.100 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCC[C@H](F)C3)C2)c1 ZINC001119304667 815087185 /nfs/dbraw/zinc/08/71/85/815087185.db2.gz WKYHFSDGJSDGGI-JYBOHDQNSA-N 1 0 282.319 2.365 20 5 CEBDRO CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC001173232783 815633245 /nfs/dbraw/zinc/63/32/45/815633245.db2.gz HWRJGGXGEXKFPV-LLVKDONJSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](C[NH+](C)C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233753821 807463623 /nfs/dbraw/zinc/46/36/23/807463623.db2.gz PAPFHVTYHYWLNK-ZETCQYMHSA-N 1 0 260.240 2.202 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000699837048 807865888 /nfs/dbraw/zinc/86/58/88/807865888.db2.gz OAFXLSCSJVUJHP-GBIKHYSHSA-N 1 0 250.298 2.280 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699839192 807869859 /nfs/dbraw/zinc/86/98/59/807869859.db2.gz SMZXIHSCQVPBJJ-ZYHUDNBSSA-N 1 0 250.298 2.028 20 5 CEBDRO O=[N+]([O-])CCN[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001120597330 815243448 /nfs/dbraw/zinc/24/34/48/815243448.db2.gz RCYHEXCMSIMYBR-CVEARBPZSA-N 1 0 289.379 2.005 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CO ZINC000700415267 809308834 /nfs/dbraw/zinc/30/88/34/809308834.db2.gz NBAAQBIRIPHYDW-CMPLNLGQSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@H](CCNCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000700488905 809317071 /nfs/dbraw/zinc/31/70/71/809317071.db2.gz LHNUCJYKDIVCLE-LLVKDONJSA-N 1 0 251.330 2.025 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627978 809333689 /nfs/dbraw/zinc/33/36/89/809333689.db2.gz VSZHIJCFWLNJBO-BDAKNGLRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H](CCCC[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702034562 809488177 /nfs/dbraw/zinc/48/81/77/809488177.db2.gz CTGMNOIXSQBPAG-VIFPVBQESA-N 1 0 299.758 2.496 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065426 809492182 /nfs/dbraw/zinc/49/21/82/809492182.db2.gz IYHHVMSRHKYQKH-ZDUSSCGKSA-N 1 0 297.742 2.059 20 5 CEBDRO CC[NH+](CC)CC[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001120942185 815298775 /nfs/dbraw/zinc/29/87/75/815298775.db2.gz BXPJOYAHWXKSMH-SNVBAGLBSA-N 1 0 281.360 2.226 20 5 CEBDRO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ncc1[N+](=O)[O-] ZINC001121008575 815304953 /nfs/dbraw/zinc/30/49/53/815304953.db2.gz NTTSJRWYOHEMBE-GRYCIOLGSA-N 1 0 276.340 2.050 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000706117475 809805081 /nfs/dbraw/zinc/80/50/81/809805081.db2.gz YXNQDNFOIIJCKZ-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO CN(CCCCCC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000710834706 809994934 /nfs/dbraw/zinc/99/49/34/809994934.db2.gz PSPNLYOEXAKPOI-UHFFFAOYSA-N 1 0 279.340 2.186 20 5 CEBDRO O=[N+]([O-])c1ccccc1CNCc1nccn1C1CC1 ZINC000711816662 810098064 /nfs/dbraw/zinc/09/80/64/810098064.db2.gz JJXMZGHNDGTSGZ-UHFFFAOYSA-N 1 0 272.308 2.416 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164062199 810272975 /nfs/dbraw/zinc/27/29/75/810272975.db2.gz JTRKBWJYHKTFHR-RKDXNWHRSA-N 1 0 284.747 2.207 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164071908 810281360 /nfs/dbraw/zinc/28/13/60/810281360.db2.gz VTNCSBSFCYTQIR-IUCAKERBSA-N 1 0 284.747 2.207 20 5 CEBDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252192 815395935 /nfs/dbraw/zinc/39/59/35/815395935.db2.gz MKSIWFNILADEPE-NSHDSACASA-N 1 0 279.340 2.160 20 5 CEBDRO CC[C@@]1(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001122252338 815396346 /nfs/dbraw/zinc/39/63/46/815396346.db2.gz PIQDXXNWLWYIQI-IAQYHMDHSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000721776654 810835637 /nfs/dbraw/zinc/83/56/37/810835637.db2.gz NXWDHJFARMUSPV-CYBMUJFWSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1cccc(F)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976199 811305106 /nfs/dbraw/zinc/30/51/06/811305106.db2.gz ZHSMIIRFQPXBRV-WDEREUQCSA-N 1 0 282.315 2.369 20 5 CEBDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168976212 811305573 /nfs/dbraw/zinc/30/55/73/811305573.db2.gz ZQHDMDOLQUDGGA-AAEUAGOBSA-N 1 0 279.340 2.015 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C1 ZINC001168977039 811306239 /nfs/dbraw/zinc/30/62/39/811306239.db2.gz HEHQTRQCKDEGIK-UONOGXRCSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC001168979522 811308383 /nfs/dbraw/zinc/30/83/83/811308383.db2.gz YZONGKQKZDKVLI-DGCLKSJQSA-N 1 0 282.315 2.240 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC001168979557 811308816 /nfs/dbraw/zinc/30/88/16/811308816.db2.gz ZFDAJWGSJFKWIF-MDZLAQPJSA-N 1 0 262.309 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC001168979559 811309089 /nfs/dbraw/zinc/30/90/89/811309089.db2.gz ZFDAJWGSJFKWIF-NTZNESFSSA-N 1 0 262.309 2.155 20 5 CEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168984442 811311526 /nfs/dbraw/zinc/31/15/26/811311526.db2.gz OAJYTMLSVPFQFW-DZGCQCFKSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001168958506 811312104 /nfs/dbraw/zinc/31/21/04/811312104.db2.gz NQPHINRBUNYLTN-BXKDBHETSA-N 1 0 270.279 2.500 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001168959648 811314058 /nfs/dbraw/zinc/31/40/58/811314058.db2.gz XSAPTFWZXAZLQI-YPMHNXCESA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC001168959416 811314738 /nfs/dbraw/zinc/31/47/38/811314738.db2.gz VVPFKJJJQXILNE-BXUZGUMPSA-N 1 0 260.337 2.189 20 5 CEBDRO COC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168962351 811315841 /nfs/dbraw/zinc/31/58/41/811315841.db2.gz LRFMIJVSXBHWGY-OCCSQVGLSA-N 1 0 292.335 2.008 20 5 CEBDRO Cc1cccc2ncc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)n21 ZINC001168964685 811316628 /nfs/dbraw/zinc/31/66/28/811316628.db2.gz VGZNOEYIWHMCGC-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967477 811318615 /nfs/dbraw/zinc/31/86/15/811318615.db2.gz PWSCQMNZNZOVJS-GWCFXTLKSA-N 1 0 280.299 2.043 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC001168975593 811323133 /nfs/dbraw/zinc/32/31/33/811323133.db2.gz WOAQBPRAIBBZRD-KOLCDFICSA-N 1 0 269.732 2.270 20 5 CEBDRO Cc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974507 811323577 /nfs/dbraw/zinc/32/35/77/811323577.db2.gz RBNYSFJHQNBLID-DZGCQCFKSA-N 1 0 290.363 2.256 20 5 CEBDRO [NH3+]CCc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2cc[nH+]cc12 ZINC001168994635 811324582 /nfs/dbraw/zinc/32/45/82/811324582.db2.gz QTXSKAYBMKXIKY-AAEUAGOBSA-N 1 0 288.351 2.155 20 5 CEBDRO CC(C)(C)OCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998194 811327404 /nfs/dbraw/zinc/32/74/04/811327404.db2.gz JMLWCPATMPABDV-VXGBXAGGSA-N 1 0 258.362 2.227 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccnc3)CC2)C1 ZINC001168998868 811327374 /nfs/dbraw/zinc/32/73/74/811327374.db2.gz QRFPMNBINRUFBG-ZFWWWQNUSA-N 1 0 289.379 2.439 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999749 811328348 /nfs/dbraw/zinc/32/83/48/811328348.db2.gz VBKCLLPFJHFXLE-GXSJLCMTSA-N 1 0 298.289 2.183 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccc(F)cn23)C1 ZINC001169005327 811329554 /nfs/dbraw/zinc/32/95/54/811329554.db2.gz ANHXVGUQYLPAFE-JQWIXIFHSA-N 1 0 292.314 2.008 20 5 CEBDRO O=c1[nH]c2cc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)ccc2o1 ZINC001169006756 811331631 /nfs/dbraw/zinc/33/16/31/811331631.db2.gz YTDFKJGLRXUAIB-WDEREUQCSA-N 1 0 291.307 2.068 20 5 CEBDRO Cn1ncc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001169006206 811331906 /nfs/dbraw/zinc/33/19/06/811331906.db2.gz WNMFIHLIOHZFKO-TZMCWYRMSA-N 1 0 288.351 2.108 20 5 CEBDRO C[N@H+](CCc1ccccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007108 811332409 /nfs/dbraw/zinc/33/24/09/811332409.db2.gz LCCUPBZZMYVLJC-TZMCWYRMSA-N 1 0 263.341 2.001 20 5 CEBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011990 811333817 /nfs/dbraw/zinc/33/38/17/811333817.db2.gz OKGRCPACKHZNKJ-WYUUTHIRSA-N 1 0 262.300 2.204 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C1 ZINC001169013703 811337014 /nfs/dbraw/zinc/33/70/14/811337014.db2.gz VYONJHASPFTDHL-YFKTTZPYSA-N 1 0 274.311 2.409 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2noc3ccccc23)C1 ZINC001168987976 811337419 /nfs/dbraw/zinc/33/74/19/811337419.db2.gz LYEFSRYXMALPNX-QWRGUYRKSA-N 1 0 275.308 2.363 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C(F)F)C2)C1 ZINC001169033186 811344405 /nfs/dbraw/zinc/34/44/05/811344405.db2.gz BGWPYYUMUVCNSP-OUAUKWLOSA-N 1 0 262.300 2.409 20 5 CEBDRO C[NH2+]Cc1cccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169040377 811350274 /nfs/dbraw/zinc/35/02/74/811350274.db2.gz ZLYNKNXPCBXQJZ-TZMCWYRMSA-N 1 0 263.341 2.263 20 5 CEBDRO C[N@H+](Cc1cncs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046694 811354618 /nfs/dbraw/zinc/35/46/18/811354618.db2.gz LVJGUUUJYXZELU-ZJUUUORDSA-N 1 0 255.343 2.020 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCCOC3)CC2)C1 ZINC001169047917 811356731 /nfs/dbraw/zinc/35/67/31/811356731.db2.gz SNQHVMXQKLZINT-KBPBESRZSA-N 1 0 282.384 2.324 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169049311 811356790 /nfs/dbraw/zinc/35/67/90/811356790.db2.gz WJKASHXWHHMTRN-TZMCWYRMSA-N 1 0 263.341 2.267 20 5 CEBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053899 811357805 /nfs/dbraw/zinc/35/78/05/811357805.db2.gz KBAKJNVHWCGRSE-MCIONIFRSA-N 1 0 298.383 2.097 20 5 CEBDRO CC(C)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169056855 811358880 /nfs/dbraw/zinc/35/88/80/811358880.db2.gz TXEODAPRJSYJFY-JSGCOSHPSA-N 1 0 270.373 2.321 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3cnc(Cl)cc3C2)C1 ZINC001169057721 811359687 /nfs/dbraw/zinc/35/96/87/811359687.db2.gz XEJFXFRCHQJDSC-SKDRFNHKSA-N 1 0 281.743 2.496 20 5 CEBDRO Cc1cc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001169189034 811422880 /nfs/dbraw/zinc/42/28/80/811422880.db2.gz OOGMEKSLUJNTKD-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO Cc1c(-n2ccc([C@@H](C)[NH3+])n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169232524 811448152 /nfs/dbraw/zinc/44/81/52/811448152.db2.gz GOOKOKXTHTZVCQ-MRVPVSSYSA-N 1 0 291.267 2.017 20 5 CEBDRO [NH3+]CCON=c1cc(Cl)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001156293787 811491083 /nfs/dbraw/zinc/49/10/83/811491083.db2.gz RUYNKFGPGGSUNN-UHFFFAOYSA-N 1 0 282.687 2.099 20 5 CEBDRO CC(=O)Nc1ccc(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169566751 811569407 /nfs/dbraw/zinc/56/94/07/811569407.db2.gz AYBIIEOMTYSRJX-LLVKDONJSA-N 1 0 292.339 2.107 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298612 812376220 /nfs/dbraw/zinc/37/62/20/812376220.db2.gz MZTYDEDZZIAKAT-MISXGVKJSA-N 1 0 294.351 2.301 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]CCSC)c([N+](=O)[O-])c1 ZINC001170297871 812377186 /nfs/dbraw/zinc/37/71/86/812377186.db2.gz UQWHKVLZASITNT-SNVBAGLBSA-N 1 0 284.381 2.487 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CC2CSC2)c([N+](=O)[O-])c1 ZINC001170310434 812383782 /nfs/dbraw/zinc/38/37/82/812383782.db2.gz VWGXSYJVXPZKQC-JTQLQIEISA-N 1 0 296.392 2.487 20 5 CEBDRO COCC[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329851 812388527 /nfs/dbraw/zinc/38/85/27/812388527.db2.gz VVJAIKJDCCHABX-NSHDSACASA-N 1 0 282.340 2.113 20 5 CEBDRO COc1ccc(C[C@H](C)n2cc(C[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001170307512 812390386 /nfs/dbraw/zinc/39/03/86/812390386.db2.gz GUAICIHTNNVYSG-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)CC2 ZINC001172896623 815543095 /nfs/dbraw/zinc/54/30/95/815543095.db2.gz PUYFUNATCKEWCT-OFQRWUPVSA-N 1 0 290.363 2.345 20 5 CEBDRO C[N@H+](CC1COC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914545 815543816 /nfs/dbraw/zinc/54/38/16/815543816.db2.gz HNYYNBSDPNSDMM-OAHLLOKOSA-N 1 0 290.363 2.420 20 5 CEBDRO Cc1cc(Cl)c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170574691 812697385 /nfs/dbraw/zinc/69/73/85/812697385.db2.gz NUIFDUWEPKMULH-JOYOIKCWSA-N 1 0 299.758 2.345 20 5 CEBDRO Cc1cc(Cl)c(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170574689 812698091 /nfs/dbraw/zinc/69/80/91/812698091.db2.gz NUIFDUWEPKMULH-BXKDBHETSA-N 1 0 299.758 2.345 20 5 CEBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+]C4(CC4)C3)nc2c1 ZINC001158936525 813134457 /nfs/dbraw/zinc/13/44/57/813134457.db2.gz HJHBOFRCUFKIFZ-UHFFFAOYSA-N 1 0 284.319 2.085 20 5 CEBDRO CC(C)([NH3+])CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001171188437 814079362 /nfs/dbraw/zinc/07/93/62/814079362.db2.gz HRLVPBHMQBWFGV-UHFFFAOYSA-N 1 0 295.730 2.341 20 5 CEBDRO CC(C)([NH3+])CNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001171188341 814079649 /nfs/dbraw/zinc/07/96/49/814079649.db2.gz FGGFNLVOLLWJFY-UHFFFAOYSA-N 1 0 266.345 2.437 20 5 CEBDRO [NH3+]CCc1cc2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC001171299866 814398549 /nfs/dbraw/zinc/39/85/49/814398549.db2.gz DIPPAUTYNOLLJL-UHFFFAOYSA-N 1 0 282.303 2.435 20 5 CEBDRO CCOC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215838 815623510 /nfs/dbraw/zinc/62/35/10/815623510.db2.gz FKRUGTGRXLFYPK-RYUDHWBXSA-N 1 0 294.351 2.457 20 5 CEBDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173217115 815623710 /nfs/dbraw/zinc/62/37/10/815623710.db2.gz PGCCAXXMIVJVOB-LLVKDONJSA-N 1 0 286.335 2.414 20 5 CEBDRO CCN(CC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217307 815624800 /nfs/dbraw/zinc/62/48/00/815624800.db2.gz SJGIWHFVMALHFR-CYBMUJFWSA-N 1 0 279.384 2.457 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC001173218917 815624835 /nfs/dbraw/zinc/62/48/35/815624835.db2.gz TWUNBGKBJIMKLI-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1C[NH3+] ZINC001173220571 815626078 /nfs/dbraw/zinc/62/60/78/815626078.db2.gz FXSOASXGNLYPJV-LLVKDONJSA-N 1 0 286.335 2.492 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001173224367 815627846 /nfs/dbraw/zinc/62/78/46/815627846.db2.gz FFCWOBMQFXWXQT-MRVWCRGKSA-N 1 0 296.342 2.178 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nncs1 ZINC001173225157 815629177 /nfs/dbraw/zinc/62/91/77/815629177.db2.gz QUSJMYGYJOTLJW-SNVBAGLBSA-N 1 0 292.364 2.210 20 5 CEBDRO CC[N@H+](CCOC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226177 815629673 /nfs/dbraw/zinc/62/96/73/815629673.db2.gz LEOLTQOHBPWQGM-GFCCVEGCSA-N 1 0 266.341 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+](C)C)C1 ZINC001173229361 815631061 /nfs/dbraw/zinc/63/10/61/815631061.db2.gz STXPWGLSSRYWHH-DOMZBBRYSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](C)C1 ZINC001173226488 815631595 /nfs/dbraw/zinc/63/15/95/815631595.db2.gz MAPGQYVIZYNZBW-QWHCGFSZSA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001173235471 815633883 /nfs/dbraw/zinc/63/38/83/815633883.db2.gz XQKJPIHDYGMLTN-CZPYZCIJSA-N 1 0 290.363 2.493 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CO)CCC1 ZINC001173212498 815635042 /nfs/dbraw/zinc/63/50/42/815635042.db2.gz ADPKLNULPYBDHP-GFCCVEGCSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C)CC1 ZINC001173212285 815635094 /nfs/dbraw/zinc/63/50/94/815635094.db2.gz ZCCSAXQVQAAAJF-GFCCVEGCSA-N 1 0 277.368 2.210 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001173213811 815636779 /nfs/dbraw/zinc/63/67/79/815636779.db2.gz KRXJVRQMWWQBPQ-GXTWGEPZSA-N 1 0 277.368 2.067 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cncnc1 ZINC001173237394 815648547 /nfs/dbraw/zinc/64/85/47/815648547.db2.gz IXVYEORECINKOC-GFCCVEGCSA-N 1 0 286.335 2.448 20 5 CEBDRO C[C@@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccc([N+](=O)[O-])cc1 ZINC001176030234 816329089 /nfs/dbraw/zinc/32/90/89/816329089.db2.gz ZUYYUAKMIBBNRU-SECBINFHSA-N 1 0 290.275 2.104 20 5 CEBDRO CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463247 816748820 /nfs/dbraw/zinc/74/88/20/816748820.db2.gz BWOXNAOSPFTHPX-ZIAGYGMSSA-N 1 0 299.415 2.108 20 5 CEBDRO CCCNC(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449087013 282095109 /nfs/dbraw/zinc/09/51/09/282095109.db2.gz UFZZHIDBAPYPLA-GFCCVEGCSA-N 1 0 293.367 2.032 20 5 CEBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269260178 190481689 /nfs/dbraw/zinc/48/16/89/190481689.db2.gz IZKAOSFUESVNFV-LLVKDONJSA-N 1 0 291.307 2.054 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175274 282131137 /nfs/dbraw/zinc/13/11/37/282131137.db2.gz ODZYGMQLZOPQJB-CHWSQXEVSA-N 1 0 296.367 2.167 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000449205681 282141923 /nfs/dbraw/zinc/14/19/23/282141923.db2.gz OOQOPLIMZFSFNS-GFCCVEGCSA-N 1 0 286.335 2.148 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036794625 361859478 /nfs/dbraw/zinc/85/94/78/361859478.db2.gz GYCHDOQNXMVWCJ-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000036976545 361876998 /nfs/dbraw/zinc/87/69/98/361876998.db2.gz LNDXWBNIQSWXLD-AAEUAGOBSA-N 1 0 291.351 2.223 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000037562516 361903521 /nfs/dbraw/zinc/90/35/21/361903521.db2.gz AHUMCGCYETZXMC-NSHDSACASA-N 1 0 269.370 2.230 20 5 CEBDRO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000037649487 361917477 /nfs/dbraw/zinc/91/74/77/361917477.db2.gz RVNPAMLXFBZYKW-SNVBAGLBSA-N 1 0 281.381 2.230 20 5 CEBDRO COc1ccc(C[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000037718509 361924463 /nfs/dbraw/zinc/92/44/63/361924463.db2.gz KFULLKZFVXLYBT-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000037894579 361959195 /nfs/dbraw/zinc/95/91/95/361959195.db2.gz XCWRKQNOEIUJIQ-UHFFFAOYSA-N 1 0 264.325 2.380 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCC2OCCO2)cc1[N+](=O)[O-] ZINC000125529721 187189811 /nfs/dbraw/zinc/18/98/11/187189811.db2.gz UFSHYMUGEXUZIN-LLVKDONJSA-N 1 0 280.324 2.317 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000449276143 282167938 /nfs/dbraw/zinc/16/79/38/282167938.db2.gz AYRHJRTYDUKTGP-MBNYWOFBSA-N 1 0 278.352 2.276 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCCO ZINC000449290689 282174427 /nfs/dbraw/zinc/17/44/27/282174427.db2.gz HDKZJCOKJRPWIC-GFCCVEGCSA-N 1 0 266.341 2.278 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(O)CC1 ZINC000350839613 219065352 /nfs/dbraw/zinc/06/53/52/219065352.db2.gz ZSFMJZZCMCGAKQ-UHFFFAOYSA-N 1 0 264.325 2.296 20 5 CEBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334726 187233758 /nfs/dbraw/zinc/23/37/58/187233758.db2.gz NUKBKQBXDRKPLK-YPMHNXCESA-N 1 0 291.351 2.256 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)F ZINC000449420749 282228802 /nfs/dbraw/zinc/22/88/02/282228802.db2.gz GLDNQNIVODONNC-WDEREUQCSA-N 1 0 292.257 2.228 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCO1 ZINC000449438673 282238250 /nfs/dbraw/zinc/23/82/50/282238250.db2.gz RHZUFVKRCZNSSM-ACVFHECNSA-N 1 0 262.309 2.377 20 5 CEBDRO COc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537153 362154205 /nfs/dbraw/zinc/15/42/05/362154205.db2.gz CRIMSLKZBRSAOJ-ZDUSSCGKSA-N 1 0 293.367 2.035 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000567791330 299092376 /nfs/dbraw/zinc/09/23/76/299092376.db2.gz NWQPMYUDDRZCQI-AAEUAGOBSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000046438263 362181541 /nfs/dbraw/zinc/18/15/41/362181541.db2.gz IITQNFOIBPPCMJ-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CF)CCOCC2)cc1 ZINC000449485181 282255143 /nfs/dbraw/zinc/25/51/43/282255143.db2.gz KUYAQZUBMKCJHH-UHFFFAOYSA-N 1 0 282.315 2.451 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996319 343424956 /nfs/dbraw/zinc/42/49/56/343424956.db2.gz RSWYEQORCUSKSS-HUUCEWRRSA-N 1 0 275.352 2.311 20 5 CEBDRO Cc1cccc(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000047141345 362199346 /nfs/dbraw/zinc/19/93/46/362199346.db2.gz QCFQYVOBULREDZ-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000047889092 362229846 /nfs/dbraw/zinc/22/98/46/362229846.db2.gz OVOIQEFOYKXBDO-UHFFFAOYSA-N 1 0 274.324 2.349 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC(C)C ZINC000049442545 343537383 /nfs/dbraw/zinc/53/73/83/343537383.db2.gz HMRACEHVXDACQL-UHFFFAOYSA-N 1 0 279.340 2.430 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000052102939 343556789 /nfs/dbraw/zinc/55/67/89/343556789.db2.gz JWHYSPYCKUYULM-CQSZACIVSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000052908729 343567622 /nfs/dbraw/zinc/56/76/22/343567622.db2.gz YFBGPHWNCGDCAL-UHFFFAOYSA-N 1 0 291.351 2.458 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000601977273 346948177 /nfs/dbraw/zinc/94/81/77/346948177.db2.gz SQDZKIFSXFESBT-LBPRGKRZSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000601980081 346948464 /nfs/dbraw/zinc/94/84/64/346948464.db2.gz DEVYXFVILWISNE-VHSXEESVSA-N 1 0 287.323 2.090 20 5 CEBDRO O=C(NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000058744555 343647773 /nfs/dbraw/zinc/64/77/73/343647773.db2.gz SZMKDWMIOYMGNP-UHFFFAOYSA-N 1 0 291.351 2.201 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295054652 199322010 /nfs/dbraw/zinc/32/20/10/199322010.db2.gz BIDMARPMTSLSHK-SNVBAGLBSA-N 1 0 252.314 2.186 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063466801 343677596 /nfs/dbraw/zinc/67/75/96/343677596.db2.gz USCDBBFIQMBCNP-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](C)C ZINC000602128117 346979287 /nfs/dbraw/zinc/97/92/87/346979287.db2.gz IOKNAWDXMBZANK-LLVKDONJSA-N 1 0 291.351 2.036 20 5 CEBDRO CCc1nn(C)c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000091733653 344171191 /nfs/dbraw/zinc/17/11/91/344171191.db2.gz NOVOTJWIGYKTHQ-GHMZBOCLSA-N 1 0 295.387 2.175 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927535 344131615 /nfs/dbraw/zinc/13/16/15/344131615.db2.gz IHWGIBNWCONVLN-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413673 344139423 /nfs/dbraw/zinc/13/94/23/344139423.db2.gz SYTZYXCQTGBMFK-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000092828685 344205289 /nfs/dbraw/zinc/20/52/89/344205289.db2.gz NCUVJLDNFPVPPN-NSHDSACASA-N 1 0 295.387 2.035 20 5 CEBDRO CCS[C@H]1CCCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470697 347045835 /nfs/dbraw/zinc/04/58/35/347045835.db2.gz CMABAHDVPHIXMK-LBPRGKRZSA-N 1 0 298.412 2.436 20 5 CEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128449054 344336749 /nfs/dbraw/zinc/33/67/49/344336749.db2.gz VEIDERGUZLOLQW-NWDGAFQWSA-N 1 0 284.743 2.497 20 5 CEBDRO C[C@H](CO)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121085652 344301401 /nfs/dbraw/zinc/30/14/01/344301401.db2.gz RDUIWBDJQWBBHF-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(OCCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000134493749 344374658 /nfs/dbraw/zinc/37/46/58/344374658.db2.gz CHYARYLWZDGLOT-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000134844771 344378214 /nfs/dbraw/zinc/37/82/14/344378214.db2.gz IVLDTJJBGGWVDO-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000142259968 344402405 /nfs/dbraw/zinc/40/24/05/344402405.db2.gz PKUMACMSIWHWCG-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CC1CC[NH+](CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000159333228 344454426 /nfs/dbraw/zinc/45/44/26/344454426.db2.gz NBCPFMKEIABHGD-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161023442 344463125 /nfs/dbraw/zinc/46/31/25/344463125.db2.gz BYMYRSYIQUROOA-STQMWFEESA-N 1 0 291.351 2.157 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229955899 344569830 /nfs/dbraw/zinc/56/98/30/344569830.db2.gz VBEBPJOTVSEODE-LBPRGKRZSA-N 1 0 289.339 2.343 20 5 CEBDRO C[C@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602516318 347063744 /nfs/dbraw/zinc/06/37/44/347063744.db2.gz YQKMFUTUDGQOLW-RYUDHWBXSA-N 1 0 290.367 2.204 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000310763845 344731384 /nfs/dbraw/zinc/73/13/84/344731384.db2.gz QGUGBJFEKCGEKT-QMMMGPOBSA-N 1 0 272.736 2.395 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532144 347068871 /nfs/dbraw/zinc/06/88/71/347068871.db2.gz IPEAZOXEVPBHHI-JTQLQIEISA-N 1 0 292.339 2.166 20 5 CEBDRO C[NH+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000302619077 344704351 /nfs/dbraw/zinc/70/43/51/344704351.db2.gz ZRSREFMLKZRMRY-UHFFFAOYSA-N 1 0 258.709 2.007 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000602550870 347073459 /nfs/dbraw/zinc/07/34/59/347073459.db2.gz DOPNBDLRBJKXLP-CYBMUJFWSA-N 1 0 286.335 2.008 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000323562800 344753459 /nfs/dbraw/zinc/75/34/59/344753459.db2.gz QZAITUXBFBNABK-RYUDHWBXSA-N 1 0 270.716 2.251 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401143221 344866276 /nfs/dbraw/zinc/86/62/76/344866276.db2.gz ADZNBZMAYHUYFE-SECBINFHSA-N 1 0 270.308 2.270 20 5 CEBDRO C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000401196900 344867032 /nfs/dbraw/zinc/86/70/32/344867032.db2.gz APPMLFOPLQIVGJ-SNVBAGLBSA-N 1 0 282.319 2.273 20 5 CEBDRO Cn1cncc1CCNc1ccsc1[N+](=O)[O-] ZINC000401700165 344869102 /nfs/dbraw/zinc/86/91/02/344869102.db2.gz ODDHRVWDGBGLNW-UHFFFAOYSA-N 1 0 252.299 2.044 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407200940 344885848 /nfs/dbraw/zinc/88/58/48/344885848.db2.gz ASPGSFGXSOHZPI-STQMWFEESA-N 1 0 275.308 2.064 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000590140641 345117111 /nfs/dbraw/zinc/11/71/11/345117111.db2.gz PPEQBMNOWBXYTG-SECBINFHSA-N 1 0 255.343 2.044 20 5 CEBDRO Cc1c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590012832 345109833 /nfs/dbraw/zinc/10/98/33/345109833.db2.gz ZLIZBBQDBSBFLH-DZGCQCFKSA-N 1 0 275.352 2.039 20 5 CEBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000590068603 345112904 /nfs/dbraw/zinc/11/29/04/345112904.db2.gz FKXLIPFWBFEFRK-UHFFFAOYSA-N 1 0 298.314 2.019 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000591442851 345255776 /nfs/dbraw/zinc/25/57/76/345255776.db2.gz ABHWLXYOSSXQSQ-CYBMUJFWSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282893 345237295 /nfs/dbraw/zinc/23/72/95/345237295.db2.gz XOGRTCWQLUQGNZ-CYBMUJFWSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591446403 345256874 /nfs/dbraw/zinc/25/68/74/345256874.db2.gz RQGDTAWHZSCOEQ-BXKDBHETSA-N 1 0 286.335 2.235 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591448916 345256973 /nfs/dbraw/zinc/25/69/73/345256973.db2.gz QCRJLPUBRYTFQM-GXFFZTMASA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000591439662 345254743 /nfs/dbraw/zinc/25/47/43/345254743.db2.gz OMEINJJNPAHBBZ-HNNXBMFYSA-N 1 0 290.367 2.187 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[NH2+]C1CC1)CCC2 ZINC000591577233 345266151 /nfs/dbraw/zinc/26/61/51/345266151.db2.gz DUKLNABTAXUAQV-OAHLLOKOSA-N 1 0 275.352 2.314 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)[NH3+] ZINC000591581566 345266716 /nfs/dbraw/zinc/26/67/16/345266716.db2.gz ZKUHXKQDPOVBRT-GHMZBOCLSA-N 1 0 283.397 2.402 20 5 CEBDRO CCC[C@H](NC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580559 345266849 /nfs/dbraw/zinc/26/68/49/345266849.db2.gz AACRBPYGADDXMP-MFKMUULPSA-N 1 0 251.330 2.373 20 5 CEBDRO CC(C)c1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000591678637 345273975 /nfs/dbraw/zinc/27/39/75/345273975.db2.gz CFBQBUYZEPNGQR-UHFFFAOYSA-N 1 0 279.340 2.139 20 5 CEBDRO CC[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591758749 345277675 /nfs/dbraw/zinc/27/76/75/345277675.db2.gz DMISOAKQYWORRS-LLVKDONJSA-N 1 0 272.732 2.151 20 5 CEBDRO CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764838 345278621 /nfs/dbraw/zinc/27/86/21/345278621.db2.gz KWSYSBADSIQKDZ-LLVKDONJSA-N 1 0 292.257 2.474 20 5 CEBDRO CCc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592329218 345343030 /nfs/dbraw/zinc/34/30/30/345343030.db2.gz QWGRSUJXKMZQNP-UHFFFAOYSA-N 1 0 291.351 2.111 20 5 CEBDRO O=[N+]([O-])c1cccc(CCc2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592357164 345344918 /nfs/dbraw/zinc/34/49/18/345344918.db2.gz RRYQUWQTPOLMRT-LBPRGKRZSA-N 1 0 288.307 2.188 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356963 345345104 /nfs/dbraw/zinc/34/51/04/345345104.db2.gz NKJHEQORJDNTQE-SNVBAGLBSA-N 1 0 290.279 2.078 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047780 345428801 /nfs/dbraw/zinc/42/88/01/345428801.db2.gz DSIQYFNENDZLJU-DGCLKSJQSA-N 1 0 296.367 2.490 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127410136 187302963 /nfs/dbraw/zinc/30/29/63/187302963.db2.gz QJVZNTXEEVMJHB-OAHLLOKOSA-N 1 0 293.367 2.017 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593924788 345552932 /nfs/dbraw/zinc/55/29/32/345552932.db2.gz POTZVEJYNYJDKW-UWVGGRQHSA-N 1 0 267.304 2.046 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000594501455 345639170 /nfs/dbraw/zinc/63/91/70/345639170.db2.gz WLZFEYXIFJILOE-WDMOLILDSA-N 1 0 276.336 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594427427 345626648 /nfs/dbraw/zinc/62/66/48/345626648.db2.gz UJVFGWYVTZAWAH-IUODEOHRSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)CC1CC1 ZINC000594499079 345638958 /nfs/dbraw/zinc/63/89/58/345638958.db2.gz AGKUYAJLEBGTCH-SMDDNHRTSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[N@@H+]1CCN(c2c(OC)cccc2[N+](=O)[O-])C[C@H]1C ZINC000594568565 345649233 /nfs/dbraw/zinc/64/92/33/345649233.db2.gz LROKKNOQPCGAGF-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000594591453 345653694 /nfs/dbraw/zinc/65/36/94/345653694.db2.gz LFGKXBXXEXZAQZ-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594599915 345656008 /nfs/dbraw/zinc/65/60/08/345656008.db2.gz KFNCHINTIGEISU-RYUDHWBXSA-N 1 0 276.340 2.419 20 5 CEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000058885432 362641954 /nfs/dbraw/zinc/64/19/54/362641954.db2.gz DJLFYLYSBYOPAQ-UHFFFAOYSA-N 1 0 299.396 2.316 20 5 CEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925120 345704227 /nfs/dbraw/zinc/70/42/27/345704227.db2.gz KSMAVCJOBREPCV-WCQYABFASA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)C1CCC1 ZINC000594956321 345715733 /nfs/dbraw/zinc/71/57/33/345715733.db2.gz JGZUXCONPQXESE-YOIVXCQUSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000594974410 345720262 /nfs/dbraw/zinc/72/02/62/345720262.db2.gz KALWEWAWTNLKGA-GFCCVEGCSA-N 1 0 262.309 2.396 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000595015657 345727533 /nfs/dbraw/zinc/72/75/33/345727533.db2.gz ZMMZBHWSAYNZHQ-ZDUSSCGKSA-N 1 0 276.336 2.439 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000595017465 345728140 /nfs/dbraw/zinc/72/81/40/345728140.db2.gz VKIQCCRQIOQISM-CYBMUJFWSA-N 1 0 272.308 2.416 20 5 CEBDRO Cc1noc(CN(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595301799 345758449 /nfs/dbraw/zinc/75/84/49/345758449.db2.gz PYKPLHNORXLBOL-UHFFFAOYSA-N 1 0 296.371 2.196 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)C1CCC1 ZINC000595056177 345735952 /nfs/dbraw/zinc/73/59/52/345735952.db2.gz BVNKUSSSTAPPMQ-KGLIPLIRSA-N 1 0 276.336 2.333 20 5 CEBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595542413 345807807 /nfs/dbraw/zinc/80/78/07/345807807.db2.gz FKZKZHNOBJBYDS-NOZJJQNGSA-N 1 0 283.328 2.184 20 5 CEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595450641 345785968 /nfs/dbraw/zinc/78/59/68/345785968.db2.gz UQDMWRMIPVUSRN-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CCCC1 ZINC000595509087 345799588 /nfs/dbraw/zinc/79/95/88/345799588.db2.gz OUJHPBYNZJDTSI-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595835056 345891651 /nfs/dbraw/zinc/89/16/51/345891651.db2.gz UJIREJGUBSROEL-KBPBESRZSA-N 1 0 276.336 2.372 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759593 345869340 /nfs/dbraw/zinc/86/93/40/345869340.db2.gz XMHZQZPVZOSQSM-COPLHBTASA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595779555 345874665 /nfs/dbraw/zinc/87/46/65/345874665.db2.gz CLSFCJWFJKOUKB-OLZOCXBDSA-N 1 0 294.351 2.473 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595810468 345881686 /nfs/dbraw/zinc/88/16/86/345881686.db2.gz XSNBPYCEQNNPTF-VXGBXAGGSA-N 1 0 262.309 2.445 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1NCCC[NH+]1CCCCC1 ZINC000596061727 345930399 /nfs/dbraw/zinc/93/03/99/345930399.db2.gz IIOLRXYVYFUCNQ-UHFFFAOYSA-N 1 0 298.774 2.353 20 5 CEBDRO [NH3+]C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000595966024 345918611 /nfs/dbraw/zinc/91/86/11/345918611.db2.gz BADDDCKZLLHMAU-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000596078473 345934604 /nfs/dbraw/zinc/93/46/04/345934604.db2.gz QTZDGZWGKJQHJW-LLVKDONJSA-N 1 0 299.396 2.223 20 5 CEBDRO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000596079082 345934964 /nfs/dbraw/zinc/93/49/64/345934964.db2.gz YGJMZFAZPOFTIS-WDEREUQCSA-N 1 0 294.355 2.228 20 5 CEBDRO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000596148072 345952167 /nfs/dbraw/zinc/95/21/67/345952167.db2.gz YXNJXJAZOJGDMQ-SECBINFHSA-N 1 0 282.344 2.084 20 5 CEBDRO C[C@@H](CCNc1c2ccccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC000596435036 346023056 /nfs/dbraw/zinc/02/30/56/346023056.db2.gz ZKJRLJOZBKEDON-NSHDSACASA-N 1 0 288.351 2.317 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596334493 346002105 /nfs/dbraw/zinc/00/21/05/346002105.db2.gz AKMQLPWNGCOAOB-LLVKDONJSA-N 1 0 295.387 2.404 20 5 CEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc1 ZINC000596476314 346033014 /nfs/dbraw/zinc/03/30/14/346033014.db2.gz CHDRWKKBZZNQJB-NSHDSACASA-N 1 0 291.355 2.204 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CCCc3n[nH]cc3C2)c1 ZINC000596597867 346062387 /nfs/dbraw/zinc/06/23/87/346062387.db2.gz ZMETZKCJLPCJSA-UHFFFAOYSA-N 1 0 272.308 2.266 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053094 346120722 /nfs/dbraw/zinc/12/07/22/346120722.db2.gz PCBWWRLSSFXNKP-WFASDCNBSA-N 1 0 292.335 2.261 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053093 346121094 /nfs/dbraw/zinc/12/10/94/346121094.db2.gz PCBWWRLSSFXNKP-SWLSCSKDSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)cc1 ZINC000312707537 201913431 /nfs/dbraw/zinc/91/34/31/201913431.db2.gz SIQOJKFOYUELMX-KGLIPLIRSA-N 1 0 278.352 2.483 20 5 CEBDRO C[NH2+]C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCC1 ZINC000598632230 346388486 /nfs/dbraw/zinc/38/84/86/346388486.db2.gz BQRPPGBPHFHBQJ-UHFFFAOYSA-N 1 0 286.335 2.119 20 5 CEBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000599022947 346447776 /nfs/dbraw/zinc/44/77/76/346447776.db2.gz PBFIKFNZQVUMED-UHFFFAOYSA-N 1 0 291.273 2.020 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914511 346433423 /nfs/dbraw/zinc/43/34/23/346433423.db2.gz GVVHUJGCUYKVKY-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916012 346433825 /nfs/dbraw/zinc/43/38/25/346433825.db2.gz SUSYJVWSVUNJFZ-BDAKNGLRSA-N 1 0 296.302 2.077 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916013 346433927 /nfs/dbraw/zinc/43/39/27/346433927.db2.gz SUSYJVWSVUNJFZ-DTWKUNHWSA-N 1 0 296.302 2.077 20 5 CEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599128396 346464616 /nfs/dbraw/zinc/46/46/16/346464616.db2.gz ZYVQPIYWNJYMDK-LLVKDONJSA-N 1 0 296.396 2.292 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599165191 346470497 /nfs/dbraw/zinc/47/04/97/346470497.db2.gz MZDMTLKMGFXTNX-GFCCVEGCSA-N 1 0 293.371 2.066 20 5 CEBDRO O=c1[nH]ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164070 346470527 /nfs/dbraw/zinc/47/05/27/346470527.db2.gz JAQIGNVRDMDICI-LLVKDONJSA-N 1 0 292.339 2.124 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000129023500 365819141 /nfs/dbraw/zinc/81/91/41/365819141.db2.gz FDERTXCRLKDRQZ-ZDUSSCGKSA-N 1 0 282.365 2.067 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599349442 346504152 /nfs/dbraw/zinc/50/41/52/346504152.db2.gz OHLCYRQEBXBALA-GFCCVEGCSA-N 1 0 294.351 2.441 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063195753 362758054 /nfs/dbraw/zinc/75/80/54/362758054.db2.gz BXVYUMJXRCDENM-BXUZGUMPSA-N 1 0 293.367 2.305 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000085637856 179110174 /nfs/dbraw/zinc/11/01/74/179110174.db2.gz IVHZFXPYTKOKMX-MJBXVCDLSA-N 1 0 276.336 2.498 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1(C)COC1 ZINC000599573750 346540682 /nfs/dbraw/zinc/54/06/82/346540682.db2.gz WVMSXKZYJKRXOX-UHFFFAOYSA-N 1 0 280.324 2.072 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599589741 346543301 /nfs/dbraw/zinc/54/33/01/346543301.db2.gz UMYPBMCRGUMMOG-PWSUYJOCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599589359 346543484 /nfs/dbraw/zinc/54/34/84/346543484.db2.gz RVSJGHDCCAYMJS-GHMZBOCLSA-N 1 0 292.339 2.165 20 5 CEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000600311006 346633756 /nfs/dbraw/zinc/63/37/56/346633756.db2.gz NJOSZQZXMRFEEI-GFCCVEGCSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600966389 346721041 /nfs/dbraw/zinc/72/10/41/346721041.db2.gz NQIPZVVIDDHTDK-OIBJUYFYSA-N 1 0 298.730 2.120 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3COCC[NH2+]3)c2)cn1 ZINC000600789508 346690775 /nfs/dbraw/zinc/69/07/75/346690775.db2.gz TVBFLGZJDOBIBK-CQSZACIVSA-N 1 0 285.303 2.318 20 5 CEBDRO Cc1nc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268526523 136607646 /nfs/dbraw/zinc/60/76/46/136607646.db2.gz WFJIEDYIDMGPCY-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO COCCC[N@H+](C)CCNc1ccsc1[N+](=O)[O-] ZINC000601119683 346758389 /nfs/dbraw/zinc/75/83/89/346758389.db2.gz VKUCZXXVESHRSQ-UHFFFAOYSA-N 1 0 273.358 2.037 20 5 CEBDRO COc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453359 187371180 /nfs/dbraw/zinc/37/11/80/187371180.db2.gz RSQRECZNYINGDQ-ZDUSSCGKSA-N 1 0 295.383 2.409 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601172364 346777168 /nfs/dbraw/zinc/77/71/68/346777168.db2.gz ZGFMRZDQSZJCTF-JTQLQIEISA-N 1 0 282.319 2.049 20 5 CEBDRO CC1([NH+]2CCCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000601216303 346791784 /nfs/dbraw/zinc/79/17/84/346791784.db2.gz OWZAQZGFLLGRNJ-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CCC1([NH+](C)C)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000601226727 346795483 /nfs/dbraw/zinc/79/54/83/346795483.db2.gz IZKRZYRJQJJQRJ-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCO ZINC000602638065 347117242 /nfs/dbraw/zinc/11/72/42/347117242.db2.gz BRFGLWOXDDSIEU-UHFFFAOYSA-N 1 0 292.257 2.476 20 5 CEBDRO COCC[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602693350 347151524 /nfs/dbraw/zinc/15/15/24/347151524.db2.gz FQHSXFVXJZPNRG-SNVBAGLBSA-N 1 0 293.323 2.498 20 5 CEBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602784172 347197542 /nfs/dbraw/zinc/19/75/42/347197542.db2.gz QNTGOHJWRXXKRC-ZYHUDNBSSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000602787509 347198181 /nfs/dbraw/zinc/19/81/81/347198181.db2.gz ZCVDMDDYDWPRBJ-GHMZBOCLSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1cnc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602811931 347210036 /nfs/dbraw/zinc/21/00/36/347210036.db2.gz ZXDXTQULKMBFSM-VIFPVBQESA-N 1 0 295.368 2.215 20 5 CEBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814432 347211021 /nfs/dbraw/zinc/21/10/21/347211021.db2.gz ARDHKQNBTPQUGJ-STQMWFEESA-N 1 0 296.371 2.012 20 5 CEBDRO CCC[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732113 347176092 /nfs/dbraw/zinc/17/60/92/347176092.db2.gz OGRDKDQNXDLJMS-CABCVRRESA-N 1 0 296.367 2.207 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000602931791 347250726 /nfs/dbraw/zinc/25/07/26/347250726.db2.gz RYYBHJGPILCHCW-MFKMUULPSA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC(C)(C)CC1 ZINC000602823042 347213280 /nfs/dbraw/zinc/21/32/80/347213280.db2.gz UZWVLYGFYVWSPA-UHFFFAOYSA-N 1 0 298.412 2.317 20 5 CEBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000602902075 347241599 /nfs/dbraw/zinc/24/15/99/347241599.db2.gz FUHPJQZVPPDPTQ-GRZMOONWSA-N 1 0 284.335 2.335 20 5 CEBDRO CCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965921 347258651 /nfs/dbraw/zinc/25/86/51/347258651.db2.gz RHXRHXRRNXPKMN-CYBMUJFWSA-N 1 0 252.314 2.192 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000603399979 347359724 /nfs/dbraw/zinc/35/97/24/347359724.db2.gz GCRWTQCOCATDNW-WDEREUQCSA-N 1 0 295.387 2.260 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CCCC[NH3+])nn1 ZINC000603219513 347311924 /nfs/dbraw/zinc/31/19/24/347311924.db2.gz PTXJIJMPNGWOKX-NSHDSACASA-N 1 0 289.339 2.077 20 5 CEBDRO CC[C@](C)([NH3+])c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217832 347311962 /nfs/dbraw/zinc/31/19/62/347311962.db2.gz KNCZLSZEVSGOBL-YGRLFVJLSA-N 1 0 289.339 2.380 20 5 CEBDRO Cc1cc(NC[C@H]2CSCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000603418191 347365127 /nfs/dbraw/zinc/36/51/27/347365127.db2.gz CQNNMXUQMCTDFT-NSHDSACASA-N 1 0 267.354 2.020 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000568511453 299140310 /nfs/dbraw/zinc/14/03/10/299140310.db2.gz MUCYGVCGDJBMBH-UWVGGRQHSA-N 1 0 280.328 2.151 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CCO)C1 ZINC000609204512 347630878 /nfs/dbraw/zinc/63/08/78/347630878.db2.gz UXCBUDKRWJMCKS-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000609583776 347645126 /nfs/dbraw/zinc/64/51/26/347645126.db2.gz VKJIAJLKOWFFMJ-NSHDSACASA-N 1 0 291.351 2.055 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCCO)C2CC2)cc1 ZINC000610133023 347661313 /nfs/dbraw/zinc/66/13/13/347661313.db2.gz XSWOCTZDRLSLOJ-UHFFFAOYSA-N 1 0 294.351 2.211 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336840154 365912393 /nfs/dbraw/zinc/91/23/93/365912393.db2.gz PSTFBTFCFZMCBI-MWLCHTKSSA-N 1 0 281.360 2.014 20 5 CEBDRO C[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000610656620 347698981 /nfs/dbraw/zinc/69/89/81/347698981.db2.gz WYBFJHHMGKYILO-VHSXEESVSA-N 1 0 262.313 2.027 20 5 CEBDRO C[C@@H](Nc1cccnc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000610661482 347699513 /nfs/dbraw/zinc/69/95/13/347699513.db2.gz VEVUYZDMPAUXJI-SNVBAGLBSA-N 1 0 266.345 2.378 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000336837373 365908572 /nfs/dbraw/zinc/90/85/72/365908572.db2.gz YWNCTPXHWVMPMS-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000610806933 347716186 /nfs/dbraw/zinc/71/61/86/347716186.db2.gz WKOVVYDBWUUKLO-GFCCVEGCSA-N 1 0 264.329 2.050 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000611408109 347774661 /nfs/dbraw/zinc/77/46/61/347774661.db2.gz QXYGZKIREHKFGO-BXUZGUMPSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610990641 347727498 /nfs/dbraw/zinc/72/74/98/347727498.db2.gz FAFAYQYLVXZYDN-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611082476 347737188 /nfs/dbraw/zinc/73/71/88/347737188.db2.gz SNFLCTFXPQWEMW-NSHDSACASA-N 1 0 292.339 2.153 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611091777 347738769 /nfs/dbraw/zinc/73/87/69/347738769.db2.gz MPSKCZFGWOGEPJ-GFCCVEGCSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092410 347738851 /nfs/dbraw/zinc/73/88/51/347738851.db2.gz SRBOUUUIYKFCER-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611222049 347753490 /nfs/dbraw/zinc/75/34/90/347753490.db2.gz SDCODHVATUZIRE-RYUDHWBXSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611265126 347760396 /nfs/dbraw/zinc/76/03/96/347760396.db2.gz WZBMPSJFKGYKQY-JTQLQIEISA-N 1 0 278.308 2.208 20 5 CEBDRO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000611516827 347789133 /nfs/dbraw/zinc/78/91/33/347789133.db2.gz MKEXUMNXOCTDRM-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000086626211 179312893 /nfs/dbraw/zinc/31/28/93/179312893.db2.gz QITRGSHJTXFMFI-ONGXEEELSA-N 1 0 252.314 2.182 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087028142 179382004 /nfs/dbraw/zinc/38/20/04/179382004.db2.gz NMXUJZKTXJSAAM-LBPRGKRZSA-N 1 0 272.732 2.499 20 5 CEBDRO CO[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000273409913 192140956 /nfs/dbraw/zinc/14/09/56/192140956.db2.gz OGCYLFPSFWPDSB-NSHDSACASA-N 1 0 252.314 2.418 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000273411271 192141547 /nfs/dbraw/zinc/14/15/47/192141547.db2.gz OLUSABDKZWOBCU-NSHDSACASA-N 1 0 292.257 2.306 20 5 CEBDRO COc1cc(CN(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000351973299 219271636 /nfs/dbraw/zinc/27/16/36/219271636.db2.gz BZWJLNGTFPFKFT-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO CC[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616866000 348580939 /nfs/dbraw/zinc/58/09/39/348580939.db2.gz GRFSCDCCTQLBIS-CQSZACIVSA-N 1 0 280.324 2.132 20 5 CEBDRO CC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000618157206 348887807 /nfs/dbraw/zinc/88/78/07/348887807.db2.gz RDCCKFMOIQPOMI-NSHDSACASA-N 1 0 290.367 2.093 20 5 CEBDRO COc1ccc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339612962 215268349 /nfs/dbraw/zinc/26/83/49/215268349.db2.gz CHTXSNXDUZTXSK-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000619531791 349194777 /nfs/dbraw/zinc/19/47/77/349194777.db2.gz PMNNCNDYOFVWEV-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000619823352 349238104 /nfs/dbraw/zinc/23/81/04/349238104.db2.gz WDUKSQFVTLKCCC-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000619567057 349200228 /nfs/dbraw/zinc/20/02/28/349200228.db2.gz MFCDQDCIJSMPRT-JTQLQIEISA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1cnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692038 180024248 /nfs/dbraw/zinc/02/42/48/180024248.db2.gz ZRVFUPPFROYVRA-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000091558959 180191274 /nfs/dbraw/zinc/19/12/74/180191274.db2.gz UDQYEUOHZLWUFI-UHFFFAOYSA-N 1 0 283.376 2.119 20 5 CEBDRO Cc1c(C(=O)N2CCC([C@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000110646687 186309164 /nfs/dbraw/zinc/30/91/64/186309164.db2.gz RVLHQHAPJNXUQK-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170217 363043330 /nfs/dbraw/zinc/04/33/30/363043330.db2.gz QWOODMOUFZAUEZ-NSHDSACASA-N 1 0 292.339 2.188 20 5 CEBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120548033 186908223 /nfs/dbraw/zinc/90/82/23/186908223.db2.gz GGWRXEQLWXGBNW-ZDUSSCGKSA-N 1 0 291.351 2.133 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271950 366037711 /nfs/dbraw/zinc/03/77/11/366037711.db2.gz PUPBTOCLIYOEGY-PWSUYJOCSA-N 1 0 250.298 2.343 20 5 CEBDRO CC[NH+](CC)CCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070495811 363091687 /nfs/dbraw/zinc/09/16/87/363091687.db2.gz ABJDWZNKTRQGHX-UHFFFAOYSA-N 1 0 266.345 2.442 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122394278 187030322 /nfs/dbraw/zinc/03/03/22/187030322.db2.gz ALVPSIFSKPXPOF-DGCLKSJQSA-N 1 0 293.367 2.176 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+](C)C ZINC000291755748 198082394 /nfs/dbraw/zinc/08/23/94/198082394.db2.gz GCTATWOWZGAUII-NSHDSACASA-N 1 0 281.356 2.351 20 5 CEBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000291887449 198095685 /nfs/dbraw/zinc/09/56/85/198095685.db2.gz OVPGRPMRIRBGAH-SECBINFHSA-N 1 0 255.293 2.344 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070574052 363096502 /nfs/dbraw/zinc/09/65/02/363096502.db2.gz BOOZRVRKNOZIPI-VHSXEESVSA-N 1 0 263.297 2.051 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000070575719 363097509 /nfs/dbraw/zinc/09/75/09/363097509.db2.gz MYKOYTNTPKOVRJ-DRZSPHRISA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897141 363180157 /nfs/dbraw/zinc/18/01/57/363180157.db2.gz QDXLEHAUJZQPRJ-QWRGUYRKSA-N 1 0 291.351 2.314 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000313250612 535183249 /nfs/dbraw/zinc/18/32/49/535183249.db2.gz HPLWBABKBWRILJ-KTKRTIGZSA-N 1 0 291.351 2.242 20 5 CEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591832 191230052 /nfs/dbraw/zinc/23/00/52/191230052.db2.gz GPVCFIOGVNPMSN-YGRLFVJLSA-N 1 0 261.325 2.489 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152823474 188046364 /nfs/dbraw/zinc/04/63/64/188046364.db2.gz ZANZDGKMEQGJOL-MDZLAQPJSA-N 1 0 278.308 2.013 20 5 CEBDRO COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153234765 188071452 /nfs/dbraw/zinc/07/14/52/188071452.db2.gz LWLZEVIFPASQQH-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO CC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153241324 188072636 /nfs/dbraw/zinc/07/26/36/188072636.db2.gz LRZDBWAJWHJRIM-CQSZACIVSA-N 1 0 264.325 2.330 20 5 CEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000153839924 188106969 /nfs/dbraw/zinc/10/69/69/188106969.db2.gz OQMKNTGUKNOSCO-JTQLQIEISA-N 1 0 284.747 2.174 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000154384378 188138502 /nfs/dbraw/zinc/13/85/02/188138502.db2.gz YXALNRYCDFELQA-KBPBESRZSA-N 1 0 296.392 2.456 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)c1 ZINC000155808993 188228755 /nfs/dbraw/zinc/22/87/55/188228755.db2.gz VAJLYIBZFPRVIA-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157974685 188349697 /nfs/dbraw/zinc/34/96/97/188349697.db2.gz QGZABZUXQBYVNB-NSHDSACASA-N 1 0 290.323 2.190 20 5 CEBDRO COC1(C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000271734925 191296013 /nfs/dbraw/zinc/29/60/13/191296013.db2.gz NQNPARPHAPQSCJ-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000132718431 366166894 /nfs/dbraw/zinc/16/68/94/366166894.db2.gz VJFPGEWDXHNPCP-RKDXNWHRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000133246852 366208280 /nfs/dbraw/zinc/20/82/80/366208280.db2.gz NPWDJFULRJLPMM-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000133539764 366234418 /nfs/dbraw/zinc/23/44/18/366234418.db2.gz IZWWGEBWNIBCSO-VXGBXAGGSA-N 1 0 284.743 2.497 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000272143835 283079128 /nfs/dbraw/zinc/07/91/28/283079128.db2.gz BWNXGLURUJKNEN-ZWNOBZJWSA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H](CCn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000272526095 191769203 /nfs/dbraw/zinc/76/92/03/191769203.db2.gz OGELGHFIOLYTFA-CYBMUJFWSA-N 1 0 288.351 2.402 20 5 CEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273571321 192208317 /nfs/dbraw/zinc/20/83/17/192208317.db2.gz DEQNXPUTKIFFHA-TXEJJXNPSA-N 1 0 293.371 2.165 20 5 CEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273571322 192209537 /nfs/dbraw/zinc/20/95/37/192209537.db2.gz DEQNXPUTKIFFHA-VXGBXAGGSA-N 1 0 293.371 2.165 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC2=CC[N@H+](C)CC2)c1 ZINC000273707642 192271321 /nfs/dbraw/zinc/27/13/21/192271321.db2.gz DTVNYTGNZBGNDX-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000273722345 192277962 /nfs/dbraw/zinc/27/79/62/192277962.db2.gz GVQCSZAMNYXWHC-UONOGXRCSA-N 1 0 299.334 2.242 20 5 CEBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000075842436 363491817 /nfs/dbraw/zinc/49/18/17/363491817.db2.gz RUGIUEUFOXPBHK-UHFFFAOYSA-N 1 0 278.308 2.446 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452123111 283195617 /nfs/dbraw/zinc/19/56/17/283195617.db2.gz IBDCXLLMCFKGAX-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293837793 198791339 /nfs/dbraw/zinc/79/13/39/198791339.db2.gz SSZQZPFDHYHVAQ-SECBINFHSA-N 1 0 265.313 2.007 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000414517555 236396574 /nfs/dbraw/zinc/39/65/74/236396574.db2.gz QSGREODJCCHBGT-WZRBSPASSA-N 1 0 264.325 2.498 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(C)(C)CO ZINC000294738299 199160014 /nfs/dbraw/zinc/16/00/14/199160014.db2.gz GZMJYAGMLXAAEH-UHFFFAOYSA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414663002 236436511 /nfs/dbraw/zinc/43/65/11/236436511.db2.gz RUCVRHKCDGVYGH-QWRGUYRKSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000135104248 366396501 /nfs/dbraw/zinc/39/65/01/366396501.db2.gz PYWJOZWLBXCFRC-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000294808151 199192214 /nfs/dbraw/zinc/19/22/14/199192214.db2.gz JASROWMHWPFRCY-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO COc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415050598 236610376 /nfs/dbraw/zinc/61/03/76/236610376.db2.gz ITBLRDOXCASYGI-CYBMUJFWSA-N 1 0 281.356 2.066 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415478722 236674866 /nfs/dbraw/zinc/67/48/66/236674866.db2.gz DMAUJEBOERBCFM-NSHDSACASA-N 1 0 294.355 2.316 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH+](C)C)CC1 ZINC000418115964 237292226 /nfs/dbraw/zinc/29/22/26/237292226.db2.gz QCZBGFKZVNZBHS-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000418134109 237314058 /nfs/dbraw/zinc/31/40/58/237314058.db2.gz LVTSVADFNOGFNV-NSHDSACASA-N 1 0 285.294 2.024 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cs1 ZINC000418135394 237314713 /nfs/dbraw/zinc/31/47/13/237314713.db2.gz PBFHGQQZULKOCV-SECBINFHSA-N 1 0 291.323 2.085 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000578964808 366571801 /nfs/dbraw/zinc/57/18/01/366571801.db2.gz SZYUXTZPQPVVQW-SNVBAGLBSA-N 1 0 282.319 2.271 20 5 CEBDRO C[NH+](C)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000145990450 366574170 /nfs/dbraw/zinc/57/41/70/366574170.db2.gz YPVDAXGXTOECCI-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000147272921 366575051 /nfs/dbraw/zinc/57/50/51/366575051.db2.gz YBEKLHBNIPRTCG-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742157 291217733 /nfs/dbraw/zinc/21/77/33/291217733.db2.gz NXZHZWBGGJJTSN-WDEREUQCSA-N 1 0 280.324 2.397 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177056867 189025148 /nfs/dbraw/zinc/02/51/48/189025148.db2.gz ZYDCZLCXFSVWRV-WPRPVWTQSA-N 1 0 295.364 2.011 20 5 CEBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298730481 200518653 /nfs/dbraw/zinc/51/86/53/200518653.db2.gz LEBWDXLHJLRDQY-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000178656511 189135210 /nfs/dbraw/zinc/13/52/10/189135210.db2.gz ZGMLIVUYNPDDRV-FZMZJTMJSA-N 1 0 291.351 2.255 20 5 CEBDRO CCOC[C@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712067 189139440 /nfs/dbraw/zinc/13/94/40/189139440.db2.gz CELZMXYPTIIRHR-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(NCC[NH+]2CCCC2)c(F)c1 ZINC000178869333 189151438 /nfs/dbraw/zinc/15/14/38/189151438.db2.gz JEEKGXMUTKQWDC-UHFFFAOYSA-N 1 0 271.267 2.381 20 5 CEBDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180431219 189254812 /nfs/dbraw/zinc/25/48/12/189254812.db2.gz QWGFCFWBQYHXIT-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003708425 361288637 /nfs/dbraw/zinc/28/86/37/361288637.db2.gz WJZUEPIOIKWZOT-UHFFFAOYSA-N 1 0 263.322 2.480 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000301461080 201017854 /nfs/dbraw/zinc/01/78/54/201017854.db2.gz UPGVDNXQKIKULS-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO CC1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929791 189310274 /nfs/dbraw/zinc/31/02/74/189310274.db2.gz SGTWBRWUPJHOTC-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000237043727 370683240 /nfs/dbraw/zinc/68/32/40/370683240.db2.gz COIXBGHQDXJLSR-LBPRGKRZSA-N 1 0 265.357 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CCO)CC1 ZINC000301443171 201009386 /nfs/dbraw/zinc/00/93/86/201009386.db2.gz ODILKWHQFYFFBX-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342327521 216311579 /nfs/dbraw/zinc/31/15/79/216311579.db2.gz AXQHCMUUAIKLGO-IUCAKERBSA-N 1 0 256.277 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOC2)c(F)c1 ZINC000342327019 216311933 /nfs/dbraw/zinc/31/19/33/216311933.db2.gz URBDBYQQFHWPBX-SNVBAGLBSA-N 1 0 254.261 2.003 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061727 363795703 /nfs/dbraw/zinc/79/57/03/363795703.db2.gz KQMFSVCZSYHIHA-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000302147285 201365172 /nfs/dbraw/zinc/36/51/72/201365172.db2.gz IPFDWAUEXWIZDB-UHFFFAOYSA-N 1 0 279.344 2.061 20 5 CEBDRO CC(C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440145 363811044 /nfs/dbraw/zinc/81/10/44/363811044.db2.gz CHJAOMCWJVEOMO-UHFFFAOYSA-N 1 0 258.705 2.109 20 5 CEBDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000088288252 363888804 /nfs/dbraw/zinc/88/88/04/363888804.db2.gz MAAMNLUCTREIAI-LBPRGKRZSA-N 1 0 293.367 2.222 20 5 CEBDRO Cc1noc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000089517823 363975213 /nfs/dbraw/zinc/97/52/13/363975213.db2.gz WWVGQEZSWMOWFO-SNVBAGLBSA-N 1 0 290.323 2.488 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000090795237 364065567 /nfs/dbraw/zinc/06/55/67/364065567.db2.gz ALQGAHCTZYPHEN-CMPLNLGQSA-N 1 0 279.340 2.498 20 5 CEBDRO Cc1ccc(C[N@@H+](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000093414502 364177483 /nfs/dbraw/zinc/17/74/83/364177483.db2.gz UQSRGMIPJGYJEW-UHFFFAOYSA-N 1 0 252.314 2.106 20 5 CEBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094341340 364268365 /nfs/dbraw/zinc/26/83/65/364268365.db2.gz IGYJNUVUAAOLEV-SKDRFNHKSA-N 1 0 283.759 2.417 20 5 CEBDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774542 364295737 /nfs/dbraw/zinc/29/57/37/364295737.db2.gz IPCMMRLOCOJISX-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CC1 ZINC000101956826 364579901 /nfs/dbraw/zinc/57/99/01/364579901.db2.gz XYQYZLLJKVAADM-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104077245 364675951 /nfs/dbraw/zinc/67/59/51/364675951.db2.gz DVVWSGPFOPLWHV-QWRGUYRKSA-N 1 0 291.351 2.457 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000111831497 364764573 /nfs/dbraw/zinc/76/45/73/364764573.db2.gz RHCLXCHJCHPMSM-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119019012 365200134 /nfs/dbraw/zinc/20/01/34/365200134.db2.gz ALNQUDWNOJKBPY-IUODEOHRSA-N 1 0 294.351 2.441 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340688374 366988241 /nfs/dbraw/zinc/98/82/41/366988241.db2.gz MIJOPXCANWYNQR-GFCCVEGCSA-N 1 0 277.324 2.068 20 5 CEBDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583020397 366990974 /nfs/dbraw/zinc/99/09/74/366990974.db2.gz XSMUVOPLEBSZMG-STQMWFEESA-N 1 0 296.367 2.216 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000161524881 367093335 /nfs/dbraw/zinc/09/33/35/367093335.db2.gz MRXMBTDGAUTOSU-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000340938769 367100188 /nfs/dbraw/zinc/10/01/88/367100188.db2.gz KFWOZBDUMLMZGJ-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245577707 370842514 /nfs/dbraw/zinc/84/25/14/370842514.db2.gz GVIZFGGQNBZOCA-GXTWGEPZSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168173322 367348272 /nfs/dbraw/zinc/34/82/72/367348272.db2.gz HJYNPCPDKDMJKV-ASCAZGACSA-N 1 0 290.772 2.105 20 5 CEBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165909419 367315054 /nfs/dbraw/zinc/31/50/54/367315054.db2.gz KUEJQPWQJJCCCT-GFCCVEGCSA-N 1 0 295.314 2.077 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172300753 367712018 /nfs/dbraw/zinc/71/20/18/367712018.db2.gz JPXRDQMEHYVTRX-WFASDCNBSA-N 1 0 294.351 2.129 20 5 CEBDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000275909274 193161009 /nfs/dbraw/zinc/16/10/09/193161009.db2.gz TZUKOIHEMVPSQP-JOCQHMNTSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cnc(N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343530741 367867456 /nfs/dbraw/zinc/86/74/56/367867456.db2.gz OXAMGEOLRZXQGW-QWRGUYRKSA-N 1 0 264.329 2.193 20 5 CEBDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343756907 367991014 /nfs/dbraw/zinc/99/10/14/367991014.db2.gz LXAJDPXWIXPHPS-AWEZNQCLSA-N 1 0 278.352 2.360 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)C[NH+](C)C ZINC000343784640 368001403 /nfs/dbraw/zinc/00/14/03/368001403.db2.gz AJDDJFRBIVNOAY-SNVBAGLBSA-N 1 0 295.339 2.052 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000181292986 368441229 /nfs/dbraw/zinc/44/12/29/368441229.db2.gz ROZXQYXHHGGBHT-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000346683347 368767565 /nfs/dbraw/zinc/76/75/65/368767565.db2.gz QLBVIYOQXKCKNQ-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693084 368774869 /nfs/dbraw/zinc/77/48/69/368774869.db2.gz KRWMZBROZUUYKF-UUSSSYRCSA-N 1 0 275.352 2.277 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348148237 368921195 /nfs/dbraw/zinc/92/11/95/368921195.db2.gz RXUYKDYNYKHAAA-CHWSQXEVSA-N 1 0 294.351 2.378 20 5 CEBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348178331 368936379 /nfs/dbraw/zinc/93/63/79/368936379.db2.gz BOBUIGAZIJPFSO-LBPRGKRZSA-N 1 0 293.342 2.402 20 5 CEBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000348223340 368955727 /nfs/dbraw/zinc/95/57/27/368955727.db2.gz FFQMSYAHZNHYBT-WCBMZHEXSA-N 1 0 292.261 2.064 20 5 CEBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000348223334 368955793 /nfs/dbraw/zinc/95/57/93/368955793.db2.gz FFQMSYAHZNHYBT-PSASIEDQSA-N 1 0 292.261 2.064 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000348377361 369024520 /nfs/dbraw/zinc/02/45/20/369024520.db2.gz RNWXGBANQJZTAW-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCOC1 ZINC000348665950 369116367 /nfs/dbraw/zinc/11/63/67/369116367.db2.gz AQCDAOXSAVITMS-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000348699080 369123593 /nfs/dbraw/zinc/12/35/93/369123593.db2.gz AGSUQBXHRRKCAZ-XYLWRLHESA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330658911 203087861 /nfs/dbraw/zinc/08/78/61/203087861.db2.gz PIPRZNZFXLSSLT-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000188820313 369414304 /nfs/dbraw/zinc/41/43/04/369414304.db2.gz YWOZGAGSOBZSLF-AWEZNQCLSA-N 1 0 294.351 2.141 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000349935012 369457346 /nfs/dbraw/zinc/45/73/46/369457346.db2.gz MSNKOXLEFBDXKZ-SECBINFHSA-N 1 0 290.323 2.027 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000189328529 369498838 /nfs/dbraw/zinc/49/88/38/369498838.db2.gz PQNGCVLZGWDNRG-STQMWFEESA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189305046 369494616 /nfs/dbraw/zinc/49/46/16/369494616.db2.gz NMRNGYZISOCQDP-KCJUWKMLSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000189667053 369555203 /nfs/dbraw/zinc/55/52/03/369555203.db2.gz UNQZPGRLTOGNGR-GFCCVEGCSA-N 1 0 270.354 2.393 20 5 CEBDRO CC(C)(O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189914169 369578630 /nfs/dbraw/zinc/57/86/30/369578630.db2.gz PTHOIEZOUKCZEW-UHFFFAOYSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000192485608 369819092 /nfs/dbraw/zinc/81/90/92/369819092.db2.gz PEFFUDZMZWTWMX-JTQLQIEISA-N 1 0 284.385 2.441 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192782873 369853515 /nfs/dbraw/zinc/85/35/15/369853515.db2.gz XVTFRFZUKHRFEN-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000193581595 369958566 /nfs/dbraw/zinc/95/85/66/369958566.db2.gz YOMYHAQADQAHFZ-GZMMTYOYSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000193581616 369958786 /nfs/dbraw/zinc/95/87/86/369958786.db2.gz YOMYHAQADQAHFZ-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193630957 369965215 /nfs/dbraw/zinc/96/52/15/369965215.db2.gz YNCMPZIXSNVAPN-MELADBBJSA-N 1 0 289.379 2.458 20 5 CEBDRO CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000193283388 369917324 /nfs/dbraw/zinc/91/73/24/369917324.db2.gz XLQDHFADANTZGF-ZWNOBZJWSA-N 1 0 279.340 2.290 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCO)C1CC1 ZINC000194225123 370016620 /nfs/dbraw/zinc/01/66/20/370016620.db2.gz DDJZLDYKIZQWHE-AWEZNQCLSA-N 1 0 278.352 2.278 20 5 CEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)s1 ZINC000195509963 370135641 /nfs/dbraw/zinc/13/56/41/370135641.db2.gz OEYHRRXYRSFPFW-UHFFFAOYSA-N 1 0 282.369 2.338 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889842 370227908 /nfs/dbraw/zinc/22/79/08/370227908.db2.gz WYFLWYDSIGQTRC-PSASIEDQSA-N 1 0 256.327 2.313 20 5 CEBDRO Cc1ccc(C[NH2+]CCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000227959482 370388902 /nfs/dbraw/zinc/38/89/02/370388902.db2.gz NRJLKGRVYVORFX-LLVKDONJSA-N 1 0 252.314 2.154 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226376518 370338856 /nfs/dbraw/zinc/33/88/56/370338856.db2.gz KZSLDKIONYKZKS-NSHDSACASA-N 1 0 282.365 2.446 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CCSC1 ZINC000226383363 370339452 /nfs/dbraw/zinc/33/94/52/370339452.db2.gz WBLUTMMXTVWUQR-LLVKDONJSA-N 1 0 266.366 2.480 20 5 CEBDRO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000355194547 370543960 /nfs/dbraw/zinc/54/39/60/370543960.db2.gz WEXOUWWWNQGAMO-BRDDXIKOSA-N 1 0 276.336 2.311 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000234889057 370547037 /nfs/dbraw/zinc/54/70/37/370547037.db2.gz SRHOKAXQALZXMY-DZGCQCFKSA-N 1 0 292.335 2.261 20 5 CEBDRO CC(C)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000236674143 370606042 /nfs/dbraw/zinc/60/60/42/370606042.db2.gz NRXKIGQFKMFRAI-CMPLNLGQSA-N 1 0 291.351 2.074 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236778430 370625958 /nfs/dbraw/zinc/62/59/58/370625958.db2.gz UZVJTJXGKIHVRE-GWCFXTLKSA-N 1 0 279.340 2.064 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252960586 371491775 /nfs/dbraw/zinc/49/17/75/371491775.db2.gz NKHHACYCKQRJKB-YRGRVCCFSA-N 1 0 293.367 2.012 20 5 CEBDRO CC[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+]1CCCC1 ZINC000360966350 371569253 /nfs/dbraw/zinc/56/92/53/371569253.db2.gz PBVOTEXBGPVFQW-GFCCVEGCSA-N 1 0 295.387 2.406 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255692055 371596622 /nfs/dbraw/zinc/59/66/22/371596622.db2.gz AWCKBYWKSDPASK-XYLWRLHESA-N 1 0 292.335 2.349 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000361040727 371614111 /nfs/dbraw/zinc/61/41/11/371614111.db2.gz ARCYHHKFAJBHFH-GHMZBOCLSA-N 1 0 295.387 2.039 20 5 CEBDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361060602 371626734 /nfs/dbraw/zinc/62/67/34/371626734.db2.gz MRRZSSAFXMEUOE-CYBMUJFWSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261712661 371708308 /nfs/dbraw/zinc/70/83/08/371708308.db2.gz JNTHPABOQKNFSC-ZLDLUXBVSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261711792 371708983 /nfs/dbraw/zinc/70/89/83/371708983.db2.gz DOPQEVOURGFNIC-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1c(CN2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000261652840 371694285 /nfs/dbraw/zinc/69/42/85/371694285.db2.gz SNMGCYGXWGXPHY-RISCZKNCSA-N 1 0 277.368 2.462 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353332338 220031287 /nfs/dbraw/zinc/03/12/87/220031287.db2.gz QDAPIOUNESBEBM-AWEZNQCLSA-N 1 0 275.352 2.263 20 5 CEBDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344208708 217098454 /nfs/dbraw/zinc/09/84/54/217098454.db2.gz BFOSTVZLGDUIPC-OAHLLOKOSA-N 1 0 291.351 2.316 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000362021454 372175166 /nfs/dbraw/zinc/17/51/66/372175166.db2.gz ZBNQMKOLADELEF-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268530782 372126998 /nfs/dbraw/zinc/12/69/98/372126998.db2.gz XGSWYZQACFFMDO-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344422873 217188415 /nfs/dbraw/zinc/18/84/15/217188415.db2.gz CNWNMQSSMNTZKD-GFCCVEGCSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621881 372509105 /nfs/dbraw/zinc/50/91/05/372509105.db2.gz BDOUUKOJQLARCM-UHIISALHSA-N 1 0 296.392 2.454 20 5 CEBDRO CC1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269674890 372529264 /nfs/dbraw/zinc/52/92/64/372529264.db2.gz VWSMZXKFEYNCEN-CYBMUJFWSA-N 1 0 264.325 2.360 20 5 CEBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000269772579 372561650 /nfs/dbraw/zinc/56/16/50/372561650.db2.gz BUXYFWJEBBYTCU-QWHCGFSZSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000269720825 372547042 /nfs/dbraw/zinc/54/70/42/372547042.db2.gz UKSRJUOJJUXYQQ-YPMHNXCESA-N 1 0 264.325 2.330 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270063031 372652920 /nfs/dbraw/zinc/65/29/20/372652920.db2.gz HFVKDBPJXZBVIM-WDEREUQCSA-N 1 0 270.354 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000364051185 372654679 /nfs/dbraw/zinc/65/46/79/372654679.db2.gz AHQPRQMFQORCQU-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270605811 372865026 /nfs/dbraw/zinc/86/50/26/372865026.db2.gz ZJLKGEZQGYGFTC-UHFFFAOYSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491682 220114485 /nfs/dbraw/zinc/11/44/85/220114485.db2.gz SLVFTKPXDJXOCF-MFKMUULPSA-N 1 0 264.325 2.264 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373297849 374321065 /nfs/dbraw/zinc/32/10/65/374321065.db2.gz BYIDNSLONAGSPK-HNNXBMFYSA-N 1 0 276.336 2.250 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251547781 189970306 /nfs/dbraw/zinc/97/03/06/189970306.db2.gz PVONFXOMMHKMPU-YUTCNCBUSA-N 1 0 275.352 2.482 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279710017 374961932 /nfs/dbraw/zinc/96/19/32/374961932.db2.gz HWIGJVFNZJMOFB-GWCFXTLKSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000381186976 375170607 /nfs/dbraw/zinc/17/06/07/375170607.db2.gz QZEQUWYWKDELHV-BETUJISGSA-N 1 0 275.352 2.339 20 5 CEBDRO C[C@@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000382971193 375195845 /nfs/dbraw/zinc/19/58/45/375195845.db2.gz QTVIUXAYQOAJBB-LLVKDONJSA-N 1 0 266.341 2.229 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000383797382 375205265 /nfs/dbraw/zinc/20/52/65/375205265.db2.gz YAXJBHGPKKNPGJ-RISCZKNCSA-N 1 0 282.315 2.375 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000408308456 375449875 /nfs/dbraw/zinc/44/98/75/375449875.db2.gz ITJSYKGXSREQDW-GHMZBOCLSA-N 1 0 264.329 2.093 20 5 CEBDRO CCOC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282452256 375487909 /nfs/dbraw/zinc/48/79/09/375487909.db2.gz LUZTZBHMBRHDFC-UHFFFAOYSA-N 1 0 280.324 2.022 20 5 CEBDRO C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283979202 375789868 /nfs/dbraw/zinc/78/98/68/375789868.db2.gz GWJVRKNCAHPYFI-LLVKDONJSA-N 1 0 294.399 2.415 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414529643 375837072 /nfs/dbraw/zinc/83/70/72/375837072.db2.gz VYFANUKHNMBZFZ-YGRLFVJLSA-N 1 0 264.325 2.106 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531716 375839086 /nfs/dbraw/zinc/83/90/86/375839086.db2.gz SCPCZIABWACTDU-SWLSCSKDSA-N 1 0 296.367 2.489 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414537426 375840873 /nfs/dbraw/zinc/84/08/73/375840873.db2.gz YZCWDIAURMFAKF-UONOGXRCSA-N 1 0 266.341 2.480 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCC(O)CC2)c1 ZINC000286270424 375893795 /nfs/dbraw/zinc/89/37/95/375893795.db2.gz VMBZZJXOVAUHLU-UHFFFAOYSA-N 1 0 264.325 2.030 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414649626 375898911 /nfs/dbraw/zinc/89/89/11/375898911.db2.gz AEICMJOVEJNOAL-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccnc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000286477327 375966609 /nfs/dbraw/zinc/96/66/09/375966609.db2.gz UQPZAEYMALLNHF-FUNVUKJBSA-N 1 0 290.367 2.360 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000414718184 375938927 /nfs/dbraw/zinc/93/89/27/375938927.db2.gz YTHMRWKVYNAYFX-VIFPVBQESA-N 1 0 280.328 2.152 20 5 CEBDRO C[N@H+]1CC=C(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286433407 375951804 /nfs/dbraw/zinc/95/18/04/375951804.db2.gz IGMONKWJLIZYIZ-UHFFFAOYSA-N 1 0 265.288 2.408 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+](C)C ZINC000286547203 375989132 /nfs/dbraw/zinc/98/91/32/375989132.db2.gz WATJPHJFUQTDNC-JTQLQIEISA-N 1 0 267.329 2.103 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC23CCC[NH+]2CCC3)n1 ZINC000287794628 376316078 /nfs/dbraw/zinc/31/60/78/376316078.db2.gz OZFCDMVNBSOCHS-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO CC[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419178815 376389765 /nfs/dbraw/zinc/38/97/65/376389765.db2.gz CEJRQGREVDELMO-ZDUSSCGKSA-N 1 0 293.367 2.142 20 5 CEBDRO C[C@@H](C[NH+](C)C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000310144588 376614933 /nfs/dbraw/zinc/61/49/33/376614933.db2.gz FGLHHXCBJGRXMI-ZETCQYMHSA-N 1 0 258.709 2.005 20 5 CEBDRO CC(C)[C@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000313299040 376742413 /nfs/dbraw/zinc/74/24/13/376742413.db2.gz JKZNANXJKKYAHK-AWEZNQCLSA-N 1 0 289.339 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000313685800 376749474 /nfs/dbraw/zinc/74/94/74/376749474.db2.gz QBNPQRHBDUJQNJ-UONOGXRCSA-N 1 0 280.299 2.391 20 5 CEBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@@H+]1C ZINC000421003869 376779110 /nfs/dbraw/zinc/77/91/10/376779110.db2.gz SGFAAWPKVJLBIX-SNVBAGLBSA-N 1 0 299.321 2.399 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421012122 376788745 /nfs/dbraw/zinc/78/87/45/376788745.db2.gz SUVZDBHCVWNQPR-HNNXBMFYSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)C[N@@H+]1C1CC1 ZINC000290495204 376803026 /nfs/dbraw/zinc/80/30/26/376803026.db2.gz AHUGEGMWSCJKPG-BDAKNGLRSA-N 1 0 294.330 2.353 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000290629920 376858211 /nfs/dbraw/zinc/85/82/11/376858211.db2.gz MMTCHOQMZLGAKJ-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000562532685 376923791 /nfs/dbraw/zinc/92/37/91/376923791.db2.gz GMVNMRXWUIJUDD-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO C[C@H](NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000423017615 376934675 /nfs/dbraw/zinc/93/46/75/376934675.db2.gz WUXBJQPEVSFMRU-SWLSCSKDSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@@H]1CC[NH2+]C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043150 376948528 /nfs/dbraw/zinc/94/85/28/376948528.db2.gz NLYCGBZZMCRVAA-ZWNOBZJWSA-N 1 0 297.786 2.378 20 5 CEBDRO CCOc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423236258 377155276 /nfs/dbraw/zinc/15/52/76/377155276.db2.gz NVLVRUZHVAIJRK-AAEUAGOBSA-N 1 0 293.367 2.396 20 5 CEBDRO CC[NH2+]CCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423237731 377156645 /nfs/dbraw/zinc/15/66/45/377156645.db2.gz DRNYUNZLFZHXPD-NSHDSACASA-N 1 0 281.356 2.254 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423246667 377166648 /nfs/dbraw/zinc/16/66/48/377166648.db2.gz ZRFDNONGMSMHKG-GJZGRUSLSA-N 1 0 289.379 2.258 20 5 CEBDRO CC(C)C[C@H](CN)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259208 377179208 /nfs/dbraw/zinc/17/92/08/377179208.db2.gz DGBQQJQCUWKQBD-TZMCWYRMSA-N 1 0 279.384 2.489 20 5 CEBDRO CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423327393 377260552 /nfs/dbraw/zinc/26/05/52/377260552.db2.gz RKRJQHZVDRJGQZ-ZWNOBZJWSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[C@@H](N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277199 377202300 /nfs/dbraw/zinc/20/23/00/377202300.db2.gz NWXCIPOWGAIPNS-KGLIPLIRSA-N 1 0 263.341 2.373 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000278155362 193846489 /nfs/dbraw/zinc/84/64/89/193846489.db2.gz AUVRODISVJSROS-DTWKUNHWSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C3CCC3)CC2)cc1 ZINC000265125206 190159467 /nfs/dbraw/zinc/15/94/67/190159467.db2.gz GREXPDPBQIPNEC-UHFFFAOYSA-N 1 0 289.379 2.307 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293401662 377551823 /nfs/dbraw/zinc/55/18/23/377551823.db2.gz LPDFHGDENXYIDS-GHMZBOCLSA-N 1 0 250.298 2.314 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332260872 377553256 /nfs/dbraw/zinc/55/32/56/377553256.db2.gz VLBRKGAIVXDHJO-SOUVJXGZSA-N 1 0 290.363 2.496 20 5 CEBDRO CCCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430952606 377573504 /nfs/dbraw/zinc/57/35/04/377573504.db2.gz ZLAXRVGMXYFOMK-CYBMUJFWSA-N 1 0 293.367 2.048 20 5 CEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000313425758 249394825 /nfs/dbraw/zinc/39/48/25/249394825.db2.gz FQENLWKNTZGFCV-MMQHEFTJSA-N 1 0 291.351 2.098 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000332613629 377645889 /nfs/dbraw/zinc/64/58/89/377645889.db2.gz DQSXSJAGWJEYBO-LLVKDONJSA-N 1 0 266.345 2.339 20 5 CEBDRO CN(CC[NH+](C)C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432310615 377742115 /nfs/dbraw/zinc/74/21/15/377742115.db2.gz IUQDPUOMTPKRRN-UHFFFAOYSA-N 1 0 274.324 2.141 20 5 CEBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000295497885 378184845 /nfs/dbraw/zinc/18/48/45/378184845.db2.gz NQKKLSCXKLSPDH-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO CS[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296080242 378412454 /nfs/dbraw/zinc/41/24/54/378412454.db2.gz CKRGUFMOEXGQMG-CYBMUJFWSA-N 1 0 282.365 2.411 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000296223176 378457702 /nfs/dbraw/zinc/45/77/02/378457702.db2.gz CAIGJVYKQYLYAO-SCVCMEIPSA-N 1 0 250.298 2.250 20 5 CEBDRO Cc1nc(N[C@@H](C)C[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000450449678 378423022 /nfs/dbraw/zinc/42/30/22/378423022.db2.gz ATZXMZOVPGAZCX-NSHDSACASA-N 1 0 293.371 2.370 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000296359509 378502861 /nfs/dbraw/zinc/50/28/61/378502861.db2.gz IRRREGHTWMZLQO-LOWVWBTDSA-N 1 0 264.325 2.406 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296536827 378566948 /nfs/dbraw/zinc/56/69/48/378566948.db2.gz DRWBSENCTPNMNK-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cccc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000450776782 378573611 /nfs/dbraw/zinc/57/36/11/378573611.db2.gz IKJUEFPLUHJBOV-YPMHNXCESA-N 1 0 261.325 2.044 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296650304 378604733 /nfs/dbraw/zinc/60/47/33/378604733.db2.gz IXMSCTZTAPBTKP-OAHLLOKOSA-N 1 0 294.351 2.462 20 5 CEBDRO Cc1cc(NCC[N@@H+]2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450950506 378658320 /nfs/dbraw/zinc/65/83/20/378658320.db2.gz NFFLRFKDJRRKPD-UHFFFAOYSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000266184741 190238324 /nfs/dbraw/zinc/23/83/24/190238324.db2.gz WNNJRXGSADYUBN-GFCCVEGCSA-N 1 0 282.321 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000299237576 378938795 /nfs/dbraw/zinc/93/87/95/378938795.db2.gz ICADEIZYGIAYME-GFCCVEGCSA-N 1 0 292.339 2.119 20 5 CEBDRO CC[C@H](C)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000453586969 378913875 /nfs/dbraw/zinc/91/38/75/378913875.db2.gz SLUYVPBYUVFHLC-QMMMGPOBSA-N 1 0 254.286 2.197 20 5 CEBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000347024723 218097484 /nfs/dbraw/zinc/09/74/84/218097484.db2.gz RFRGDEKYBAGQDJ-WFMXKNRHSA-N 1 0 275.352 2.290 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1C[NH3+] ZINC000347025463 218096557 /nfs/dbraw/zinc/09/65/57/218096557.db2.gz SICFDECVVJZDPW-AWEZNQCLSA-N 1 0 263.341 2.216 20 5 CEBDRO Cc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000347103956 218123503 /nfs/dbraw/zinc/12/35/03/218123503.db2.gz KTWVCGGXUPPQOB-AWEZNQCLSA-N 1 0 275.352 2.230 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH2+]C)C1 ZINC000347111842 218126526 /nfs/dbraw/zinc/12/65/26/218126526.db2.gz QAFOYUPHDHAEHQ-LBPRGKRZSA-N 1 0 293.367 2.035 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278619298 194072285 /nfs/dbraw/zinc/07/22/85/194072285.db2.gz JQHFYXXDECUYJV-UKRRQHHQSA-N 1 0 294.351 2.187 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000347264067 218173362 /nfs/dbraw/zinc/17/33/62/218173362.db2.gz NHSBMMADDUNGIA-RISCZKNCSA-N 1 0 292.335 2.287 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347288307 218180545 /nfs/dbraw/zinc/18/05/45/218180545.db2.gz QQIXPWIZSZTHTA-SECBINFHSA-N 1 0 298.318 2.196 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000299682543 379105009 /nfs/dbraw/zinc/10/50/09/379105009.db2.gz WCXCJOACJSKGRY-SNVBAGLBSA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347469504 218247789 /nfs/dbraw/zinc/24/77/89/218247789.db2.gz GRKUOILQOFEBNX-SNVBAGLBSA-N 1 0 292.339 2.064 20 5 CEBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347479125 218250401 /nfs/dbraw/zinc/25/04/01/218250401.db2.gz RHMAHETXZWIMPJ-NSHDSACASA-N 1 0 282.340 2.196 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301235791 379227419 /nfs/dbraw/zinc/22/74/19/379227419.db2.gz HRLITEJQRUTNEM-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000301364731 379267714 /nfs/dbraw/zinc/26/77/14/379267714.db2.gz NJTSGBQINCOCKD-CQSZACIVSA-N 1 0 263.341 2.371 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516877725 379320604 /nfs/dbraw/zinc/32/06/04/379320604.db2.gz KTVGGEJTLKERAP-RISCZKNCSA-N 1 0 278.352 2.436 20 5 CEBDRO CC[NH+](CC)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000302703726 379429772 /nfs/dbraw/zinc/42/97/72/379429772.db2.gz WKULTYMHBILQMJ-UHFFFAOYSA-N 1 0 255.293 2.488 20 5 CEBDRO C[C@@H](O)[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000304016670 379511991 /nfs/dbraw/zinc/51/19/91/379511991.db2.gz WVAYPVKHTCPUBS-MFKMUULPSA-N 1 0 282.315 2.469 20 5 CEBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000304040785 379516353 /nfs/dbraw/zinc/51/63/53/379516353.db2.gz IPGIYHLMEZTSCR-FZMZJTMJSA-N 1 0 266.341 2.482 20 5 CEBDRO CO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267049310 190299410 /nfs/dbraw/zinc/29/94/10/190299410.db2.gz QINWFXQHWVTTGJ-LBPRGKRZSA-N 1 0 268.288 2.345 20 5 CEBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000267100186 190303307 /nfs/dbraw/zinc/30/33/07/190303307.db2.gz SZTLDBMYFUJWLE-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000267318204 190320856 /nfs/dbraw/zinc/32/08/56/190320856.db2.gz YJYUEMXSIHZWMB-QWRGUYRKSA-N 1 0 264.329 2.275 20 5 CEBDRO CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000347796705 218359075 /nfs/dbraw/zinc/35/90/75/218359075.db2.gz VMCOGHPWVWUSAN-KGLIPLIRSA-N 1 0 295.408 2.385 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491889749 380373711 /nfs/dbraw/zinc/37/37/11/380373711.db2.gz WEQMOOKYABWUQC-FPLPWBNLSA-N 1 0 291.351 2.064 20 5 CEBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000548486749 380526344 /nfs/dbraw/zinc/52/63/44/380526344.db2.gz CDPHXCNDDKTJBO-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000061858094 285077071 /nfs/dbraw/zinc/07/70/71/285077071.db2.gz QAFJDGINWCWPTN-LLVKDONJSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1c(N2CCc3c[nH+]ccc32)nc2sccn21 ZINC000175005289 285078646 /nfs/dbraw/zinc/07/86/46/285078646.db2.gz SKMDYBXSOPOYCU-UHFFFAOYSA-N 1 0 287.304 2.393 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000037668253 285114460 /nfs/dbraw/zinc/11/44/60/285114460.db2.gz LWYFEZACAIJOBB-UHFFFAOYSA-N 1 0 292.335 2.370 20 5 CEBDRO Cc1cc(N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000289216518 197265777 /nfs/dbraw/zinc/26/57/77/197265777.db2.gz WNNVQTPPCAJGAL-AWEZNQCLSA-N 1 0 293.367 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261631067 285155154 /nfs/dbraw/zinc/15/51/54/285155154.db2.gz VWAOQLGJPZQBMS-VHSXEESVSA-N 1 0 281.743 2.294 20 5 CEBDRO CCC[C@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080524556 177663949 /nfs/dbraw/zinc/66/39/49/177663949.db2.gz LZJMRAWLTSFARY-GFCCVEGCSA-N 1 0 266.341 2.483 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815917 195393043 /nfs/dbraw/zinc/39/30/43/195393043.db2.gz ZIFFGOWAAOCRQM-TZMCWYRMSA-N 1 0 282.340 2.033 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000189925343 130041195 /nfs/dbraw/zinc/04/11/95/130041195.db2.gz AULLBCIHDVFWPC-CHWSQXEVSA-N 1 0 294.351 2.244 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000190301958 130086893 /nfs/dbraw/zinc/08/68/93/130086893.db2.gz ZZFPZQGVLYRBCT-MRVPVSSYSA-N 1 0 282.325 2.359 20 5 CEBDRO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[NH3+] ZINC000191995310 130345988 /nfs/dbraw/zinc/34/59/88/130345988.db2.gz YTFBXBILUZNPDL-BDAKNGLRSA-N 1 0 299.758 2.190 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000237665046 131051300 /nfs/dbraw/zinc/05/13/00/131051300.db2.gz DIDNQMVBZJDFJB-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000262603529 131240018 /nfs/dbraw/zinc/24/00/18/131240018.db2.gz YLHSVJAPOKULGC-PSASIEDQSA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000263941403 131365979 /nfs/dbraw/zinc/36/59/79/131365979.db2.gz ZWDUPZBUIWAWPU-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cccc(N[C@H](C)CN2CCOCC2)c1[N+](=O)[O-] ZINC000218836735 394457738 /nfs/dbraw/zinc/45/77/38/394457738.db2.gz MJIOLYLUQVLOMJ-GFCCVEGCSA-N 1 0 279.340 2.036 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413187517 394499916 /nfs/dbraw/zinc/49/99/16/394499916.db2.gz FGKHNFHJUZXXPE-QPUJVOFHSA-N 1 0 280.303 2.024 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000421739360 394578961 /nfs/dbraw/zinc/57/89/61/394578961.db2.gz AWQBKYSPNFENEX-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000070984169 394587795 /nfs/dbraw/zinc/58/77/95/394587795.db2.gz GLQDDCVWNXVQIC-BXUZGUMPSA-N 1 0 263.341 2.154 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000421774242 394589914 /nfs/dbraw/zinc/58/99/14/394589914.db2.gz SRLWGGJCWMNRJX-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000308675794 394530469 /nfs/dbraw/zinc/53/04/69/394530469.db2.gz NVIXQJJXKYXNCQ-UHFFFAOYSA-N 1 0 299.758 2.318 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051555030 394556166 /nfs/dbraw/zinc/55/61/66/394556166.db2.gz KKUUTSIYIMMJNY-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000330998222 394626507 /nfs/dbraw/zinc/62/65/07/394626507.db2.gz IYBICPBQJDZNCN-LSDHHAIUSA-N 1 0 278.352 2.278 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422563064 394711417 /nfs/dbraw/zinc/71/14/17/394711417.db2.gz DRCORINNIYDEOZ-UHFFFAOYSA-N 1 0 294.355 2.406 20 5 CEBDRO Cc1cnc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269107883 394712144 /nfs/dbraw/zinc/71/21/44/394712144.db2.gz VIUARJOKVXUWGO-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO CC(C)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000422684521 394723350 /nfs/dbraw/zinc/72/33/50/394723350.db2.gz FMARUKKJQJTPAF-UHFFFAOYSA-N 1 0 291.351 2.282 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NCc1cccc([N+](=O)[O-])c1 ZINC000414836058 394761358 /nfs/dbraw/zinc/76/13/58/394761358.db2.gz HYVGIIXZFBERCB-GFCCVEGCSA-N 1 0 251.330 2.058 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272232307 394769409 /nfs/dbraw/zinc/76/94/09/394769409.db2.gz UXCUSNBRWBDQEH-BXKDBHETSA-N 1 0 296.758 2.174 20 5 CEBDRO CC[C@H](NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422780751 394779737 /nfs/dbraw/zinc/77/97/37/394779737.db2.gz DJNHNYBFYNIFBR-KBPBESRZSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273040895 394781151 /nfs/dbraw/zinc/78/11/51/394781151.db2.gz WDHHPPOSBCLKIZ-JTQLQIEISA-N 1 0 262.313 2.052 20 5 CEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000273179689 394784073 /nfs/dbraw/zinc/78/40/73/394784073.db2.gz GKEKOWSFJLETSW-NSHDSACASA-N 1 0 293.367 2.378 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCCC1=O ZINC000120931693 394787972 /nfs/dbraw/zinc/78/79/72/394787972.db2.gz NLMYAOIZWBZSST-LBPRGKRZSA-N 1 0 291.351 2.210 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000273450054 394788448 /nfs/dbraw/zinc/78/84/48/394788448.db2.gz YOPJDPWLHPNLQY-XJKSGUPXSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1cc(N2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122239921 394810455 /nfs/dbraw/zinc/81/04/55/394810455.db2.gz FKVUNAONTYXOJR-LLVKDONJSA-N 1 0 273.292 2.022 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832069 394879972 /nfs/dbraw/zinc/87/99/72/394879972.db2.gz LIPQAEOINFMCRE-WCQYABFASA-N 1 0 282.340 2.297 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000364308486 394892997 /nfs/dbraw/zinc/89/29/97/394892997.db2.gz OSZBRTMARFCWST-BXUZGUMPSA-N 1 0 261.325 2.125 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000282044375 394901748 /nfs/dbraw/zinc/90/17/48/394901748.db2.gz UYGZOFUWUZCJKX-SNVBAGLBSA-N 1 0 297.380 2.166 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423366845 394902103 /nfs/dbraw/zinc/90/21/03/394902103.db2.gz QRAYLXLUCPDGMQ-YRGRVCCFSA-N 1 0 277.368 2.113 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423409713 394916789 /nfs/dbraw/zinc/91/67/89/394916789.db2.gz ZAYOICOVGMYPDF-YRGRVCCFSA-N 1 0 277.368 2.113 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000423589589 394955068 /nfs/dbraw/zinc/95/50/68/394955068.db2.gz AGNOIMOMTGPRFL-VXGBXAGGSA-N 1 0 291.351 2.034 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415481921 394936715 /nfs/dbraw/zinc/93/67/15/394936715.db2.gz JOHKDJQROSOCPX-SNVBAGLBSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH3+])CC1 ZINC000415483470 394936719 /nfs/dbraw/zinc/93/67/19/394936719.db2.gz MOGVCASPUQMSHB-UHFFFAOYSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415571937 394945292 /nfs/dbraw/zinc/94/52/92/394945292.db2.gz AQNQAGAFRKMZFZ-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153384297 395006335 /nfs/dbraw/zinc/00/63/35/395006335.db2.gz MTMXDLZVJRDHMC-CQSZACIVSA-N 1 0 262.309 2.207 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494426462 395112823 /nfs/dbraw/zinc/11/28/23/395112823.db2.gz OZPAQFDXAFZEER-ZDUSSCGKSA-N 1 0 286.335 2.204 20 5 CEBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596135 395242261 /nfs/dbraw/zinc/24/22/61/395242261.db2.gz FTEGCNOLFJWCTK-HZMBPMFUSA-N 1 0 281.356 2.379 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000439015317 395245327 /nfs/dbraw/zinc/24/53/27/395245327.db2.gz PGSZXBWTOKDBNO-CYBMUJFWSA-N 1 0 296.392 2.285 20 5 CEBDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000391613601 395202112 /nfs/dbraw/zinc/20/21/12/395202112.db2.gz PEMYHMDZZFDDPY-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO CC(C)(C)[C@H](C[NH3+])NCc1c(F)cccc1[N+](=O)[O-] ZINC000420368635 395355447 /nfs/dbraw/zinc/35/54/47/395355447.db2.gz UJWAXCWSWREELU-LBPRGKRZSA-N 1 0 269.320 2.197 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000192674256 395390127 /nfs/dbraw/zinc/39/01/27/395390127.db2.gz NXWYAMJDRZXIHZ-MWLCHTKSSA-N 1 0 293.371 2.157 20 5 CEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000420355525 395342901 /nfs/dbraw/zinc/34/29/01/395342901.db2.gz BYZDODPAWUKGOX-GYSYKLTISA-N 1 0 263.341 2.071 20 5 CEBDRO CC(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000444772090 395453044 /nfs/dbraw/zinc/45/30/44/395453044.db2.gz SYQBKFSTIPTDNQ-LBPRGKRZSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1cnc(OC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000573840911 395620621 /nfs/dbraw/zinc/62/06/21/395620621.db2.gz COJKDBWFPYHEFH-HAQNSBGRSA-N 1 0 279.340 2.442 20 5 CEBDRO C[N@@H+]1CC[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000191208250 153164186 /nfs/dbraw/zinc/16/41/86/153164186.db2.gz IIDHEPZOFQBVOQ-SECBINFHSA-N 1 0 253.327 2.034 20 5 CEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CCCC1 ZINC000226775423 153337484 /nfs/dbraw/zinc/33/74/84/153337484.db2.gz PSURQNQWEHNDQB-UHFFFAOYSA-N 1 0 270.358 2.338 20 5 CEBDRO CCc1nn(C)c(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000229948060 153377019 /nfs/dbraw/zinc/37/70/19/153377019.db2.gz QFCUZYMHRFWTDS-UHFFFAOYSA-N 1 0 295.387 2.035 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cs1 ZINC000230315211 153389958 /nfs/dbraw/zinc/38/99/58/153389958.db2.gz DAMMEGNQQKNVSK-JQWIXIFHSA-N 1 0 268.338 2.313 20 5 CEBDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000263145395 154025825 /nfs/dbraw/zinc/02/58/25/154025825.db2.gz CQEVGYNATRSXIA-WFASDCNBSA-N 1 0 291.351 2.119 20 5 CEBDRO CC(C)([NH3+])CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000346816878 154301389 /nfs/dbraw/zinc/30/13/89/154301389.db2.gz FCNYOEXEWJSQCB-UHFFFAOYSA-N 1 0 263.341 2.297 20 5 CEBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000352669027 154323539 /nfs/dbraw/zinc/32/35/39/154323539.db2.gz WSVGVSAENISKCP-AAEUAGOBSA-N 1 0 298.314 2.088 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[C@@H]1O ZINC000352663876 154327823 /nfs/dbraw/zinc/32/78/23/154327823.db2.gz AFWZWJKPHHVVKI-NEPJUHHUSA-N 1 0 291.307 2.081 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000359079488 154873268 /nfs/dbraw/zinc/87/32/68/154873268.db2.gz BHALHWGSMNMZOW-ZDUSSCGKSA-N 1 0 290.367 2.280 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367451384 156189008 /nfs/dbraw/zinc/18/90/08/156189008.db2.gz QUWZMANEIDGJQF-OAHLLOKOSA-N 1 0 292.335 2.358 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367798321 156239470 /nfs/dbraw/zinc/23/94/70/156239470.db2.gz QBIPUWGNPUIFKV-BSLXNSKLSA-N 1 0 276.336 2.134 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183293180 292345533 /nfs/dbraw/zinc/34/55/33/292345533.db2.gz NWPSNVQIYCWEPP-UHFFFAOYSA-N 1 0 296.367 2.388 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375750135 157137685 /nfs/dbraw/zinc/13/76/85/157137685.db2.gz KAYBQYRTIPVKBG-AGMLCLOISA-N 1 0 274.320 2.090 20 5 CEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)c1 ZINC000376078997 157183627 /nfs/dbraw/zinc/18/36/27/157183627.db2.gz GBYZXRFCWMXFBG-NEPJUHHUSA-N 1 0 296.396 2.181 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908605 286832165 /nfs/dbraw/zinc/83/21/65/286832165.db2.gz DEVIPXAXOJRZPO-PWSUYJOCSA-N 1 0 252.314 2.406 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000048781017 162288696 /nfs/dbraw/zinc/28/86/96/162288696.db2.gz WFODJRYFGGSTAL-GHMZBOCLSA-N 1 0 295.364 2.013 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168131274 162364203 /nfs/dbraw/zinc/36/42/03/162364203.db2.gz PXLZNABMQBTTDG-JTQLQIEISA-N 1 0 272.732 2.499 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170915860 162374411 /nfs/dbraw/zinc/37/44/11/162374411.db2.gz VPMAWWHYJLTWLR-LLVKDONJSA-N 1 0 291.351 2.214 20 5 CEBDRO CC[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879520 165117707 /nfs/dbraw/zinc/11/77/07/165117707.db2.gz KUKDSSJJJUMUES-ZDUSSCGKSA-N 1 0 266.345 2.303 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000174844869 165119388 /nfs/dbraw/zinc/11/93/88/165119388.db2.gz FGSAILZUUPIWAW-CYBMUJFWSA-N 1 0 264.329 2.056 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176228363 165159949 /nfs/dbraw/zinc/15/99/49/165159949.db2.gz GZHCPAAOQGYEGT-UHFFFAOYSA-N 1 0 280.353 2.293 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204471 165160270 /nfs/dbraw/zinc/16/02/70/165160270.db2.gz HMOWAMCYOHZLHI-VXGBXAGGSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721851 287152516 /nfs/dbraw/zinc/15/25/16/287152516.db2.gz IYDGQWIBMYISIY-GXFFZTMASA-N 1 0 264.325 2.359 20 5 CEBDRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127416 171012915 /nfs/dbraw/zinc/01/29/15/171012915.db2.gz SLYQXGPYBYCDRZ-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO CC(C)OCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020198328 171062760 /nfs/dbraw/zinc/06/27/60/171062760.db2.gz ORMSYAWDHACYNZ-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000035635901 172320896 /nfs/dbraw/zinc/32/08/96/172320896.db2.gz ZTIDPOMWPNECGW-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO CCOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648790 172325133 /nfs/dbraw/zinc/32/51/33/172325133.db2.gz MGEYYRYNQWMBON-UHFFFAOYSA-N 1 0 252.314 2.419 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672917 174371701 /nfs/dbraw/zinc/37/17/01/174371701.db2.gz RBRYUFNVTWBGJX-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[NH2+]C1 ZINC000071311584 176118890 /nfs/dbraw/zinc/11/88/90/176118890.db2.gz UQMJATZLAJQSHE-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071314864 176121146 /nfs/dbraw/zinc/12/11/46/176121146.db2.gz ZAAXMZGNRKQORA-LLVKDONJSA-N 1 0 269.370 2.230 20 5 CEBDRO O=C(NCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000071805233 176267305 /nfs/dbraw/zinc/26/73/05/176267305.db2.gz ZYBZWHZCMCRAJA-UHFFFAOYSA-N 1 0 292.339 2.202 20 5 CEBDRO COC[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076711053 177067699 /nfs/dbraw/zinc/06/76/99/177067699.db2.gz UIGCUCNMVDBYPZ-JTQLQIEISA-N 1 0 268.313 2.070 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077303729 177250647 /nfs/dbraw/zinc/25/06/47/177250647.db2.gz IDAUQGNLTQBVGI-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423385 177265641 /nfs/dbraw/zinc/26/56/41/177265641.db2.gz OVAIGVBVIPSSSQ-DTWKUNHWSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[C@@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000080108565 177610484 /nfs/dbraw/zinc/61/04/84/177610484.db2.gz QUFNSTZYJZPTRY-ZDUSSCGKSA-N 1 0 252.314 2.154 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449174410 260272646 /nfs/dbraw/zinc/27/26/46/260272646.db2.gz HJZALLXHFYCVFW-WCQYABFASA-N 1 0 266.341 2.132 20 5 CEBDRO COc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425290968 263039726 /nfs/dbraw/zinc/03/97/26/263039726.db2.gz YVBFUKAZPOBWRY-SMDDNHRTSA-N 1 0 291.351 2.134 20 5 CEBDRO CC[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)OC ZINC000322544181 270334953 /nfs/dbraw/zinc/33/49/53/270334953.db2.gz UDUHDCJLINMKKC-ZDUSSCGKSA-N 1 0 252.314 2.500 20 5 CEBDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000392896221 270341659 /nfs/dbraw/zinc/34/16/59/270341659.db2.gz CXVPTPYPOJVFJO-LDYMZIIASA-N 1 0 297.742 2.005 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064219 270355692 /nfs/dbraw/zinc/35/56/92/270355692.db2.gz HENHMKTWPFCGSA-CABZTGNLSA-N 1 0 268.288 2.391 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000398393531 270358141 /nfs/dbraw/zinc/35/81/41/270358141.db2.gz YCAHOQHUMUHQTC-FZMZJTMJSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cc(N[C@H]2C[C@@](C)(O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000418985842 270417774 /nfs/dbraw/zinc/41/77/74/270417774.db2.gz GGVCGFGOOAPKQV-AVCCJPFPSA-N 1 0 287.319 2.199 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000422120451 270711473 /nfs/dbraw/zinc/71/14/73/270711473.db2.gz MRJSUADPMDBTHK-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000423017020 270819493 /nfs/dbraw/zinc/81/94/93/270819493.db2.gz NUJQJKYBSOASLB-GMXVVIOVSA-N 1 0 263.341 2.386 20 5 CEBDRO CC1(C)C[C@@H](NCC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423336672 270899843 /nfs/dbraw/zinc/89/98/43/270899843.db2.gz XXCGSDIAPSSMMZ-CQSZACIVSA-N 1 0 275.352 2.126 20 5 CEBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000424340656 271049571 /nfs/dbraw/zinc/04/95/71/271049571.db2.gz YOFHYTIDRFOCJG-CHWSQXEVSA-N 1 0 267.304 2.093 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000426211736 271204237 /nfs/dbraw/zinc/20/42/37/271204237.db2.gz VTKYVRDWWMXCHK-TZMCWYRMSA-N 1 0 294.351 2.339 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC)CC1 ZINC000430211663 271363112 /nfs/dbraw/zinc/36/31/12/271363112.db2.gz JQVMTVJZYPTXGE-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1(O)CCCC1 ZINC000430212055 271363555 /nfs/dbraw/zinc/36/35/55/271363555.db2.gz ZBYUALFIBXXPQS-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430245156 271367327 /nfs/dbraw/zinc/36/73/27/271367327.db2.gz ZOXNPFQWSOGFBY-UHFFFAOYSA-N 1 0 294.351 2.462 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000430607963 271398863 /nfs/dbraw/zinc/39/88/63/271398863.db2.gz BWMGHOLHTWIWTP-OLZOCXBDSA-N 1 0 293.367 2.175 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415581285 274722721 /nfs/dbraw/zinc/72/27/21/274722721.db2.gz NDPFPCLTELKTCE-JTQLQIEISA-N 1 0 280.328 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1 ZINC000264540736 275036801 /nfs/dbraw/zinc/03/68/01/275036801.db2.gz AOYMXWREUCIQJW-CYBMUJFWSA-N 1 0 276.340 2.054 20 5 CEBDRO CC(C)C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000159738014 275568940 /nfs/dbraw/zinc/56/89/40/275568940.db2.gz RMVFSOLBPNRSOH-UHFFFAOYSA-N 1 0 295.383 2.371 20 5 CEBDRO CC1(C)C[C@@H](N[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550244 275862344 /nfs/dbraw/zinc/86/23/44/275862344.db2.gz IHYBRUJFRHKDSH-IINYFYTJSA-N 1 0 275.352 2.269 20 5 CEBDRO CC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295152741 276204152 /nfs/dbraw/zinc/20/41/52/276204152.db2.gz CHDDTDYOMGULPP-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000163261955 276462772 /nfs/dbraw/zinc/46/27/72/276462772.db2.gz PWYBLAJGWFPEAA-VXGBXAGGSA-N 1 0 266.345 2.350 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277953418 276832227 /nfs/dbraw/zinc/83/22/27/276832227.db2.gz WINJTMSGYNMVCL-LLVKDONJSA-N 1 0 289.339 2.002 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000364164296 277146895 /nfs/dbraw/zinc/14/68/95/277146895.db2.gz AXCQROIRWRYWDI-QMTHXVAHSA-N 1 0 279.315 2.264 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272232345 277178966 /nfs/dbraw/zinc/17/89/66/277178966.db2.gz UXKDWTZPLPQWPA-JOYOIKCWSA-N 1 0 296.758 2.174 20 5 CEBDRO CNC(=O)CC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182741632 277226365 /nfs/dbraw/zinc/22/63/65/277226365.db2.gz CMTBWVCBQMHFLI-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000341288125 277286687 /nfs/dbraw/zinc/28/66/87/277286687.db2.gz ZNZXZPAQOMFOSR-TZMCWYRMSA-N 1 0 264.325 2.500 20 5 CEBDRO CC(C)c1ccc(CN(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000357060847 278035452 /nfs/dbraw/zinc/03/54/52/278035452.db2.gz YMUBBCCSIRJFKD-UHFFFAOYSA-N 1 0 263.341 2.122 20 5 CEBDRO CS[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134591446 278161321 /nfs/dbraw/zinc/16/13/21/278161321.db2.gz VLZSJDBDDLPDQN-LBPRGKRZSA-N 1 0 284.385 2.009 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000130027263 278316616 /nfs/dbraw/zinc/31/66/16/278316616.db2.gz SUYGIOFWKFJORR-NOZJJQNGSA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339784 278413454 /nfs/dbraw/zinc/41/34/54/278413454.db2.gz HBAYCOJXXQCQEZ-KWQFWETISA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1cnc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277221478 279014967 /nfs/dbraw/zinc/01/49/67/279014967.db2.gz RTWJTJDBTSMBTO-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000286412959 279116530 /nfs/dbraw/zinc/11/65/30/279116530.db2.gz MHGZHMHAFWVOQJ-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@H](CO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312671 279360604 /nfs/dbraw/zinc/36/06/04/279360604.db2.gz OBLBBPPQUKHIDH-YGRLFVJLSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660338 279534248 /nfs/dbraw/zinc/53/42/48/279534248.db2.gz VNOAEMVSHWPMPI-UHTWSYAYSA-N 1 0 291.351 2.290 20 5 CEBDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000134892460 280031945 /nfs/dbraw/zinc/03/19/45/280031945.db2.gz HGMMBPABXYHFEU-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000356793112 280112129 /nfs/dbraw/zinc/11/21/29/280112129.db2.gz KBLCBLQAVPQFMF-UWVGGRQHSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000246410329 280291906 /nfs/dbraw/zinc/29/19/06/280291906.db2.gz MKCABWDLNVXPSP-ZKYQVNSYSA-N 1 0 264.325 2.467 20 5 CEBDRO Cc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000267052775 280880917 /nfs/dbraw/zinc/88/09/17/280880917.db2.gz OFKHCBQAILAGLC-ZDUSSCGKSA-N 1 0 273.336 2.354 20 5 CEBDRO COC[C@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000423447369 281045716 /nfs/dbraw/zinc/04/57/16/281045716.db2.gz ZPWOYKWGKDQNFJ-SWLSCSKDSA-N 1 0 293.367 2.014 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]1O)CCC2 ZINC000424325943 281149049 /nfs/dbraw/zinc/14/90/49/281149049.db2.gz LIMXUKVDYLCJLU-MGPQQGTHSA-N 1 0 262.309 2.085 20 5 CEBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576141 281246352 /nfs/dbraw/zinc/24/63/52/281246352.db2.gz BMJKRQLZXGMAQD-GXFFZTMASA-N 1 0 291.351 2.314 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[NH2+]CC1 ZINC000430623963 281270951 /nfs/dbraw/zinc/27/09/51/281270951.db2.gz HNKFQBPJJGTMIQ-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[NH+](CC)CCN(CC(C)C)c1c([N+](=O)[O-])ncn1C ZINC000443887320 281550886 /nfs/dbraw/zinc/55/08/86/281550886.db2.gz GIRHUDOIMAIUMM-UHFFFAOYSA-N 1 0 297.403 2.133 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864285 289275140 /nfs/dbraw/zinc/27/51/40/289275140.db2.gz ZAZXGCLSIJHALQ-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](C(C)C)C2)n1 ZINC000487063960 290330076 /nfs/dbraw/zinc/33/00/76/290330076.db2.gz BCSBGSKXMDHBLP-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487132660 290333148 /nfs/dbraw/zinc/33/31/48/290333148.db2.gz XPJUBOWLVQCVDX-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000488327675 290390962 /nfs/dbraw/zinc/39/09/62/290390962.db2.gz MNOPGBFKPCHDKT-WOPDTQHZSA-N 1 0 276.340 2.132 20 5 CEBDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000515165254 297565276 /nfs/dbraw/zinc/56/52/76/297565276.db2.gz RPYGZVXAYOGFLQ-CYBMUJFWSA-N 1 0 291.351 2.084 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300116 298102523 /nfs/dbraw/zinc/10/25/23/298102523.db2.gz AQMUABPQRKDMMX-VXGBXAGGSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccno1)C2 ZINC000533802449 298169065 /nfs/dbraw/zinc/16/90/65/298169065.db2.gz RZKVBLSONFLVTF-UHFFFAOYSA-N 1 0 259.265 2.141 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535008684 298179394 /nfs/dbraw/zinc/17/93/94/298179394.db2.gz AYSKABCSBJWESC-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000516905943 313098116 /nfs/dbraw/zinc/09/81/16/313098116.db2.gz UAUNJCAWHSOTLK-OLZOCXBDSA-N 1 0 250.298 2.170 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000566777123 313868929 /nfs/dbraw/zinc/86/89/29/313868929.db2.gz NIAYXBKZRLVVAW-LLVKDONJSA-N 1 0 290.323 2.058 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569823574 314016881 /nfs/dbraw/zinc/01/68/81/314016881.db2.gz FMWRVGFCOMAYEP-OLZOCXBDSA-N 1 0 290.367 2.124 20 5 CEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC=CCC2)c1 ZINC000570625962 314049352 /nfs/dbraw/zinc/04/93/52/314049352.db2.gz SFZLFTORRSQCHR-GXTWGEPZSA-N 1 0 292.335 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)CCCC1 ZINC000571296784 314083989 /nfs/dbraw/zinc/08/39/89/314083989.db2.gz AZEUJMQITKNYTE-CYBMUJFWSA-N 1 0 276.336 2.477 20 5 CEBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581173 314098249 /nfs/dbraw/zinc/09/82/49/314098249.db2.gz JMBSJKRDZYXYRX-DZGCQCFKSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCOC2)n1 ZINC000576096338 314240114 /nfs/dbraw/zinc/24/01/14/314240114.db2.gz CSJLLQNGZRYWJD-AGIUHOORSA-N 1 0 294.355 2.044 20 5 CEBDRO Cc1cccc(N2CCC3(CC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000576267917 314257666 /nfs/dbraw/zinc/25/76/66/314257666.db2.gz FWRDGZQZBRHRQO-UHFFFAOYSA-N 1 0 261.325 2.236 20 5 CEBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000388796343 321887548 /nfs/dbraw/zinc/88/75/48/321887548.db2.gz SNMPCSZCLXPRIS-UHTWSYAYSA-N 1 0 261.325 2.077 20 5 CEBDRO CC(=O)c1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000580191168 321921507 /nfs/dbraw/zinc/92/15/07/321921507.db2.gz NYVRUTGERFWHEA-UHFFFAOYSA-N 1 0 278.308 2.176 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCSC1 ZINC000580783372 322343974 /nfs/dbraw/zinc/34/39/74/322343974.db2.gz IIOOGLIHXZOAGA-GXTWGEPZSA-N 1 0 294.376 2.040 20 5 CEBDRO [NH3+][C@H]1CCCc2cn(Cc3cccc([N+](=O)[O-])c3)nc21 ZINC000581245780 322380390 /nfs/dbraw/zinc/38/03/90/322380390.db2.gz LNDTYEJLEFYVOY-ZDUSSCGKSA-N 1 0 272.308 2.176 20 5 CEBDRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000148936955 533817218 /nfs/dbraw/zinc/81/72/18/533817218.db2.gz UCIUZURJCZJGII-JTQLQIEISA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106883393 533843667 /nfs/dbraw/zinc/84/36/67/533843667.db2.gz CGWFJWMYUTVJEQ-LBPRGKRZSA-N 1 0 250.298 2.124 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415419807 533974494 /nfs/dbraw/zinc/97/44/94/533974494.db2.gz RIAOFQGMOAXLCW-ZYHUDNBSSA-N 1 0 292.339 2.152 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000356087890 534234924 /nfs/dbraw/zinc/23/49/24/534234924.db2.gz TXEGIOHLHCTODI-GHMZBOCLSA-N 1 0 292.339 2.151 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000155886325 519422873 /nfs/dbraw/zinc/42/28/73/519422873.db2.gz ZCTPHLAUIPADTI-CQSZACIVSA-N 1 0 294.355 2.480 20 5 CEBDRO Cc1nc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000097934196 534486212 /nfs/dbraw/zinc/48/62/12/534486212.db2.gz XEYFBDMOMQZSLH-UHFFFAOYSA-N 1 0 264.329 2.194 20 5 CEBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480593 521512494 /nfs/dbraw/zinc/51/24/94/521512494.db2.gz QPGVUTULTWLAJB-JTQLQIEISA-N 1 0 265.313 2.264 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280498 522909230 /nfs/dbraw/zinc/90/92/30/522909230.db2.gz QWWYPBBVKYGGTC-VARDARPISA-N 1 0 284.381 2.403 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000050372035 523662873 /nfs/dbraw/zinc/66/28/73/523662873.db2.gz UVXCQRLAPATGNT-NXEZZACHSA-N 1 0 256.327 2.313 20 5 CEBDRO CC[C@@]1(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000062894166 523696785 /nfs/dbraw/zinc/69/67/85/523696785.db2.gz ACSCRQZNFJONOY-IAQYHMDHSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804502 525553063 /nfs/dbraw/zinc/55/30/63/525553063.db2.gz OUNXMGCQEOVKSK-LEWSCRJBSA-N 1 0 291.351 2.290 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCn1cccn1 ZINC000050443676 527332670 /nfs/dbraw/zinc/33/26/70/527332670.db2.gz IVIFQFMYMRIRBE-UHFFFAOYSA-N 1 0 280.715 2.235 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365553923 527357608 /nfs/dbraw/zinc/35/76/08/527357608.db2.gz CTASBQFDBDILCD-LBPRGKRZSA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCSCC2)cc1 ZINC000056284735 527371632 /nfs/dbraw/zinc/37/16/32/527371632.db2.gz JUPGELGSBDIOCJ-UHFFFAOYSA-N 1 0 282.365 2.413 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000364829224 527371767 /nfs/dbraw/zinc/37/17/67/527371767.db2.gz WAEVJANBZUAFQI-GASCZTMLSA-N 1 0 292.335 2.227 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1CCO ZINC000069251758 527403723 /nfs/dbraw/zinc/40/37/23/527403723.db2.gz MUAVYDRNIDLYSL-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO CCOc1cc(NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000111046749 528327667 /nfs/dbraw/zinc/32/76/67/528327667.db2.gz HUSXTZSDRIVUHS-NSHDSACASA-N 1 0 279.340 2.357 20 5 CEBDRO CC(C)(CCC[NH3+])NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000314117827 535011901 /nfs/dbraw/zinc/01/19/01/535011901.db2.gz DDIGTHOOYQHEGJ-CMDGGOBGSA-N 1 0 291.351 2.242 20 5 CEBDRO CCN(C)C(=O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000185186022 535726380 /nfs/dbraw/zinc/72/63/80/535726380.db2.gz HGYIHPLKYYDCNF-UHFFFAOYSA-N 1 0 293.367 2.286 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761079388 574518557 /nfs/dbraw/zinc/51/85/57/574518557.db2.gz QSTIKJDZPZMIHY-VXGBXAGGSA-N 1 0 263.341 2.292 20 5 CEBDRO COC(=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000754522015 574586378 /nfs/dbraw/zinc/58/63/78/574586378.db2.gz YFJJPGOPOWEZFQ-JTQLQIEISA-N 1 0 284.337 2.088 20 5 CEBDRO CCCC[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000732805249 574631759 /nfs/dbraw/zinc/63/17/59/574631759.db2.gz HTZACZKTKPVZRC-UHFFFAOYSA-N 1 0 291.355 2.386 20 5 CEBDRO CCC[N@H+](CC)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000747226438 575168708 /nfs/dbraw/zinc/16/87/08/575168708.db2.gz INJCGKUPWVPIFL-UHFFFAOYSA-N 1 0 291.355 2.386 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941380 575301819 /nfs/dbraw/zinc/30/18/19/575301819.db2.gz NJFVEIRZDLTJSU-MWLCHTKSSA-N 1 0 289.339 2.336 20 5 CEBDRO CN1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963574 623275900 /nfs/dbraw/zinc/27/59/00/623275900.db2.gz CFRPZUUHHSOBSH-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050162643 623326589 /nfs/dbraw/zinc/32/65/89/623326589.db2.gz PFTUTUUXZYBZOU-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126066 624248396 /nfs/dbraw/zinc/24/83/96/624248396.db2.gz SORFWEGBQYSDJU-STQMWFEESA-N 1 0 250.298 2.204 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCCC1 ZINC000892032542 624263183 /nfs/dbraw/zinc/26/31/83/624263183.db2.gz MKOVRPGJLDFFGK-UHFFFAOYSA-N 1 0 281.360 2.005 20 5 CEBDRO C[C@@H]1COC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000926439474 624729922 /nfs/dbraw/zinc/72/99/22/624729922.db2.gz JQXUEVNKQHDXDR-BMIGLBTASA-N 1 0 289.335 2.243 20 5 CEBDRO O=[N+]([O-])c1ccccc1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925516698 628061370 /nfs/dbraw/zinc/06/13/70/628061370.db2.gz XOVMHECARCNBTF-HNNXBMFYSA-N 1 0 289.379 2.402 20 5 CEBDRO C[C@H]1COC[C@H](C)C1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643568 628341111 /nfs/dbraw/zinc/34/11/11/628341111.db2.gz WYNNVGUFFAHGPO-RYUDHWBXSA-N 1 0 278.352 2.398 20 5 CEBDRO C[C@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430688 634652481 /nfs/dbraw/zinc/65/24/81/634652481.db2.gz QBUPBRDTKZRBHU-RISCZKNCSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000841693219 628923881 /nfs/dbraw/zinc/92/38/81/628923881.db2.gz UBPFATMSPKPRIP-ATZCPNFKSA-N 1 0 266.345 2.342 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633646 629253744 /nfs/dbraw/zinc/25/37/44/629253744.db2.gz VVAUZCRXALPASK-JTQLQIEISA-N 1 0 283.759 2.290 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000093633665 629259828 /nfs/dbraw/zinc/25/98/28/629259828.db2.gz IAQVMBVUERXROF-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO Cc1ccnc(N)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000894298367 629317326 /nfs/dbraw/zinc/31/73/26/629317326.db2.gz JTYOQTBEXKLPRU-UHFFFAOYSA-N 1 0 286.335 2.213 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261973551 629407705 /nfs/dbraw/zinc/40/77/05/629407705.db2.gz QOMWFHMIFBIJBQ-NSHDSACASA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261975029 629407884 /nfs/dbraw/zinc/40/78/84/629407884.db2.gz QQGBQGGSOBPHFD-MWLCHTKSSA-N 1 0 283.759 2.417 20 5 CEBDRO CCC1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000894682664 629587839 /nfs/dbraw/zinc/58/78/39/629587839.db2.gz DDVZEMATAGSIFA-UHFFFAOYSA-N 1 0 266.297 2.341 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000895100226 629895600 /nfs/dbraw/zinc/89/56/00/629895600.db2.gz SBZVHAHPVVTCSJ-GFCCVEGCSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000895247117 630060466 /nfs/dbraw/zinc/06/04/66/630060466.db2.gz SXTNWBLUOXWZPY-CMPLNLGQSA-N 1 0 298.412 2.011 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2ncncc2C1 ZINC000895723287 630315394 /nfs/dbraw/zinc/31/53/94/630315394.db2.gz UPQUUMBYDDYCSJ-HWKANZROSA-N 1 0 296.330 2.456 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000895739066 630319625 /nfs/dbraw/zinc/31/96/25/630319625.db2.gz ATSUXOREZZOFQR-WPRPVWTQSA-N 1 0 283.303 2.247 20 5 CEBDRO COC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000897220402 630997805 /nfs/dbraw/zinc/99/78/05/630997805.db2.gz ARLKTEHGONXAOO-PNESKVBLSA-N 1 0 296.371 2.003 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000800854435 631149449 /nfs/dbraw/zinc/14/94/49/631149449.db2.gz FIEABVPTIAKAPF-KOLCDFICSA-N 1 0 264.329 2.072 20 5 CEBDRO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000785836713 631741577 /nfs/dbraw/zinc/74/15/77/631741577.db2.gz CKULFBONQFVYKW-ZJUUUORDSA-N 1 0 267.304 2.263 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000898192783 632106742 /nfs/dbraw/zinc/10/67/42/632106742.db2.gz IVVZCIZKPLSSII-CQSZACIVSA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000927150954 632618994 /nfs/dbraw/zinc/61/89/94/632618994.db2.gz URTHQKYDTFDVLG-IJLUTSLNSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H](NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000899266375 632763956 /nfs/dbraw/zinc/76/39/56/632763956.db2.gz ABZJBYORTKTCSC-JTQLQIEISA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565851 633032348 /nfs/dbraw/zinc/03/23/48/633032348.db2.gz BRHXWAZUHWSNHJ-ZYHUDNBSSA-N 1 0 279.340 2.397 20 5 CEBDRO COC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815614107 633038316 /nfs/dbraw/zinc/03/83/16/633038316.db2.gz GFXBNVHDASPTQW-JTQLQIEISA-N 1 0 279.340 2.397 20 5 CEBDRO C[C@H]([NH2+]CCOC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619727 633040033 /nfs/dbraw/zinc/04/00/33/633040033.db2.gz WJDDDMQKLCQVGQ-ZETCQYMHSA-N 1 0 293.245 2.364 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000899864843 633065206 /nfs/dbraw/zinc/06/52/06/633065206.db2.gz BVLZTRPVDYWTNL-UHFFFAOYSA-N 1 0 277.368 2.039 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000899873600 633066178 /nfs/dbraw/zinc/06/61/78/633066178.db2.gz SYDBAASGHMOPHG-UHFFFAOYSA-N 1 0 298.770 2.255 20 5 CEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000900476146 633745032 /nfs/dbraw/zinc/74/50/32/633745032.db2.gz AFCSYWORGRDKKO-LBPRGKRZSA-N 1 0 292.339 2.249 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906880 633766214 /nfs/dbraw/zinc/76/62/14/633766214.db2.gz FZDCYHRFDOQCQY-RKDXNWHRSA-N 1 0 271.748 2.464 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c(F)c1F ZINC000818618089 633962095 /nfs/dbraw/zinc/96/20/95/633962095.db2.gz LFXODTXYDDYLNN-MRVPVSSYSA-N 1 0 272.251 2.251 20 5 CEBDRO C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818954144 634015393 /nfs/dbraw/zinc/01/53/93/634015393.db2.gz SQBLLQLHAQUGCN-NHYWBVRUSA-N 1 0 290.319 2.442 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC=CCC2)c1 ZINC000819088480 634065121 /nfs/dbraw/zinc/06/51/21/634065121.db2.gz SMAYACRBBLOJJQ-OCCSQVGLSA-N 1 0 262.309 2.327 20 5 CEBDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819121126 634074386 /nfs/dbraw/zinc/07/43/86/634074386.db2.gz HEIYMUAMXMXSPA-FZMZJTMJSA-N 1 0 296.367 2.015 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819207518 634104836 /nfs/dbraw/zinc/10/48/36/634104836.db2.gz MPCONUKZFQGSJF-BPLDGKMQSA-N 1 0 294.351 2.033 20 5 CEBDRO CC/C=C\C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344783 634148049 /nfs/dbraw/zinc/14/80/49/634148049.db2.gz NRYADSVLYLSRTQ-DHCBQETCSA-N 1 0 250.298 2.184 20 5 CEBDRO CCN(CCC[NH+]1CCCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000819931967 634289113 /nfs/dbraw/zinc/28/91/13/634289113.db2.gz YMFTVUPGHSLKEF-UHFFFAOYSA-N 1 0 292.383 2.489 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000819953904 634297883 /nfs/dbraw/zinc/29/78/83/634297883.db2.gz WYSWSAPDNUOZHR-GXFFZTMASA-N 1 0 279.315 2.264 20 5 CEBDRO C[C@H]1[NH2+]CC[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646383 634962594 /nfs/dbraw/zinc/96/25/94/634962594.db2.gz GDGICVGSUPFCQL-MWLCHTKSSA-N 1 0 288.307 2.034 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)c1 ZINC000822654616 634964132 /nfs/dbraw/zinc/96/41/32/634964132.db2.gz NXHDPYXUHPLBMM-SMDDNHRTSA-N 1 0 286.291 2.112 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc([N+](=O)[O-])c1 ZINC000903120212 634980701 /nfs/dbraw/zinc/98/07/01/634980701.db2.gz MFJNFKANIBHVIX-SECBINFHSA-N 1 0 290.323 2.486 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]Cc2cncn2C)cc([N+](=O)[O-])c1 ZINC000903170791 635004974 /nfs/dbraw/zinc/00/49/74/635004974.db2.gz CDFPVLZLAFUGHC-SNVBAGLBSA-N 1 0 290.323 2.188 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903288703 635052239 /nfs/dbraw/zinc/05/22/39/635052239.db2.gz LRZMBVRGMHMTQN-GKEDWUBWSA-N 1 0 274.320 2.421 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903454781 635138307 /nfs/dbraw/zinc/13/83/07/635138307.db2.gz JPFSFHGKKNQHOF-OCCSQVGLSA-N 1 0 289.379 2.415 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000903796998 635274608 /nfs/dbraw/zinc/27/46/08/635274608.db2.gz ZWVKHYLOSHXNIS-UKRRQHHQSA-N 1 0 275.352 2.298 20 5 CEBDRO CSCc1cc(F)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905158734 635833527 /nfs/dbraw/zinc/83/35/27/635833527.db2.gz IHHAQEMLWHEMCF-UHFFFAOYSA-N 1 0 258.318 2.055 20 5 CEBDRO [NH3+]C1CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000906510141 636760982 /nfs/dbraw/zinc/76/09/82/636760982.db2.gz NFONMSOVRAWVMQ-UHFFFAOYSA-N 1 0 287.319 2.434 20 5 CEBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000149443277 637091879 /nfs/dbraw/zinc/09/18/79/637091879.db2.gz CFFNLEMAWIHVNS-CBAPKCEASA-N 1 0 270.720 2.183 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876545831 650316328 /nfs/dbraw/zinc/31/63/28/650316328.db2.gz VKIZIQRWWZUGBZ-ZYHUDNBSSA-N 1 0 277.324 2.215 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905244 637984111 /nfs/dbraw/zinc/98/41/11/637984111.db2.gz SFUUHJOLHQXWKO-TVQRCGJNSA-N 1 0 279.340 2.253 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2[NH2+]CC23CCCC3)cc1[N+](=O)[O-] ZINC000911906685 638474476 /nfs/dbraw/zinc/47/44/76/638474476.db2.gz JHAVMDCSLPBULD-ZDUSSCGKSA-N 1 0 289.335 2.374 20 5 CEBDRO CC(C)C[C@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911907292 638475280 /nfs/dbraw/zinc/47/52/80/638475280.db2.gz WHFGHRJSYHALMV-JTQLQIEISA-N 1 0 265.313 2.297 20 5 CEBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC000876888410 650475524 /nfs/dbraw/zinc/47/55/24/650475524.db2.gz RXWQFKQCLXSPRX-VOMCLLRMSA-N 1 0 287.323 2.241 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCc3ccsc3)C2)c1 ZINC000876915001 650484353 /nfs/dbraw/zinc/48/43/53/650484353.db2.gz ZWJQMLJNRXWWOC-UHFFFAOYSA-N 1 0 292.364 2.389 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000226453972 639544517 /nfs/dbraw/zinc/54/45/17/639544517.db2.gz ASXFPHQCTYWVCP-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000228108569 639617855 /nfs/dbraw/zinc/61/78/55/639617855.db2.gz GMKHNSNJJRBJOS-VHSXEESVSA-N 1 0 252.314 2.152 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841030905 639622396 /nfs/dbraw/zinc/62/23/96/639622396.db2.gz OUWKLYLQSWQKOE-NOZJJQNGSA-N 1 0 283.759 2.465 20 5 CEBDRO CC(C)([NH3+])CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841031697 639623705 /nfs/dbraw/zinc/62/37/05/639623705.db2.gz ZETVVPMZKCNMKV-UHFFFAOYSA-N 1 0 257.721 2.075 20 5 CEBDRO Cc1c(-c2nc([C@H]3CCC[NH2+]C3)no2)cccc1[N+](=O)[O-] ZINC000228560075 639644470 /nfs/dbraw/zinc/64/44/70/639644470.db2.gz UOBKIHPIPCZHDW-JTQLQIEISA-N 1 0 288.307 2.420 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841085523 639650528 /nfs/dbraw/zinc/65/05/28/639650528.db2.gz GBTOVRJJXQFNSL-LBPRGKRZSA-N 1 0 283.759 2.478 20 5 CEBDRO [NH3+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000841102828 639672037 /nfs/dbraw/zinc/67/20/37/639672037.db2.gz KHNFTASVEMVABQ-JTQLQIEISA-N 1 0 298.730 2.107 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000841232277 639713744 /nfs/dbraw/zinc/71/37/44/639713744.db2.gz CJYWNXZFBSMABT-SECBINFHSA-N 1 0 298.730 2.107 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233198 639713926 /nfs/dbraw/zinc/71/39/26/639713926.db2.gz OEHVZSSKOUQAGG-RNFRBKRXSA-N 1 0 286.719 2.105 20 5 CEBDRO Cc1c(C[NH2+]CC[C@@H](C)[S@](C)=O)cccc1[N+](=O)[O-] ZINC000229808007 639719965 /nfs/dbraw/zinc/71/99/65/639719965.db2.gz LPNCZVQBNSJPAB-DGIBIBHMSA-N 1 0 284.381 2.150 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063167954 639835939 /nfs/dbraw/zinc/83/59/39/639835939.db2.gz NDCYULZJOHVIDQ-CYBMUJFWSA-N 1 0 292.339 2.201 20 5 CEBDRO [NH3+]C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843048690 640253744 /nfs/dbraw/zinc/25/37/44/640253744.db2.gz PTTAQDNRSNHZFC-SECBINFHSA-N 1 0 269.732 2.029 20 5 CEBDRO CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877079223 650562812 /nfs/dbraw/zinc/56/28/12/650562812.db2.gz VDLFNKAHSHSTMZ-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO [NH3+]C1(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CCC1 ZINC000843219087 640351393 /nfs/dbraw/zinc/35/13/93/640351393.db2.gz UFJQCLMWCDDKCT-UHFFFAOYSA-N 1 0 280.309 2.130 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495792 640443860 /nfs/dbraw/zinc/44/38/60/640443860.db2.gz VUBHMFOPRTVSQD-LLVKDONJSA-N 1 0 291.351 2.180 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454296 640733951 /nfs/dbraw/zinc/73/39/51/640733951.db2.gz SYKNNIFABROGJP-AOOOYVTPSA-N 1 0 284.262 2.171 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254806 650643538 /nfs/dbraw/zinc/64/35/38/650643538.db2.gz DULFGYHTXVLYCP-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070150162 641637223 /nfs/dbraw/zinc/63/72/23/641637223.db2.gz XAYSJIDDGYHFLH-ZDUSSCGKSA-N 1 0 281.331 2.437 20 5 CEBDRO Cc1cc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000847830816 641798593 /nfs/dbraw/zinc/79/85/93/641798593.db2.gz VTQIHWGZDZMMNH-LBPRGKRZSA-N 1 0 292.335 2.402 20 5 CEBDRO C[NH2+][C@@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000848630842 642082219 /nfs/dbraw/zinc/08/22/19/642082219.db2.gz SPSRSNVAPFUSQR-QMMMGPOBSA-N 1 0 262.269 2.234 20 5 CEBDRO C[C@H]1CCCN(C(=[NH2+])NCCc2ccccc2[N+](=O)[O-])C1 ZINC000849010006 642226615 /nfs/dbraw/zinc/22/66/15/642226615.db2.gz SUMIDLGFIUBNMX-LBPRGKRZSA-N 1 0 290.367 2.394 20 5 CEBDRO CC(C)=CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877472171 650736846 /nfs/dbraw/zinc/73/68/46/650736846.db2.gz LWRYATPKPKNLDC-UHFFFAOYSA-N 1 0 250.302 2.051 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000849331029 642332954 /nfs/dbraw/zinc/33/29/54/642332954.db2.gz IQUBTULAYSESTL-DFBGVHRSSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000849331028 642333397 /nfs/dbraw/zinc/33/33/97/642333397.db2.gz IQUBTULAYSESTL-BYCMXARLSA-N 1 0 294.351 2.175 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1COC(C)(C)O1 ZINC000852039621 643274081 /nfs/dbraw/zinc/27/40/81/643274081.db2.gz WRMWCFQBWWANLU-ZDUSSCGKSA-N 1 0 294.351 2.221 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000155944268 643284314 /nfs/dbraw/zinc/28/43/14/643284314.db2.gz SSCPMSJCAKROKN-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000852583561 643481648 /nfs/dbraw/zinc/48/16/48/643481648.db2.gz YDGOABCGTIHWOS-CHWSQXEVSA-N 1 0 280.299 2.127 20 5 CEBDRO [NH3+]CC12CC(C1)CN2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852755819 643539269 /nfs/dbraw/zinc/53/92/69/643539269.db2.gz GIJMXKKDBBTCED-UHFFFAOYSA-N 1 0 281.743 2.171 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923487687 643731153 /nfs/dbraw/zinc/73/11/53/643731153.db2.gz BFXGOUSQYVKEFS-NWDGAFQWSA-N 1 0 293.367 2.020 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c(F)c1 ZINC000923532841 643754463 /nfs/dbraw/zinc/75/44/63/643754463.db2.gz CPYFRESZCUYOKR-HNNXBMFYSA-N 1 0 293.342 2.452 20 5 CEBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nccc1[N+](=O)[O-] ZINC000853607014 643831344 /nfs/dbraw/zinc/83/13/44/643831344.db2.gz ZLQHSOVHSRXRJK-FGWVZKOKSA-N 1 0 250.302 2.012 20 5 CEBDRO COc1cc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000853798335 643903711 /nfs/dbraw/zinc/90/37/11/643903711.db2.gz FADCHVASLXQUFW-SNVBAGLBSA-N 1 0 297.355 2.364 20 5 CEBDRO CC[C@@H](C(=O)OCc1onc(C)c1[N+](=O)[O-])[NH+](CC)CC ZINC000853899448 643936360 /nfs/dbraw/zinc/93/63/60/643936360.db2.gz MNLIIPQQXAOEBV-JTQLQIEISA-N 1 0 299.327 2.055 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@H](C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000758484234 644933545 /nfs/dbraw/zinc/93/35/45/644933545.db2.gz CKJMBEGRIDSDQQ-SNVBAGLBSA-N 1 0 297.330 2.112 20 5 CEBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000760548173 645170716 /nfs/dbraw/zinc/17/07/16/645170716.db2.gz BUJHXNWDEPUVJM-UHFFFAOYSA-N 1 0 289.282 2.194 20 5 CEBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848947 645816605 /nfs/dbraw/zinc/81/66/05/645816605.db2.gz LQEFNMOKBYVOJT-FZMZJTMJSA-N 1 0 296.367 2.421 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[NH+]1CCCC1 ZINC000013758073 646257763 /nfs/dbraw/zinc/25/77/63/646257763.db2.gz VNIVLQDBXNSYAC-UHFFFAOYSA-N 1 0 277.368 2.165 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC=CC2)c1 ZINC000863571229 646759743 /nfs/dbraw/zinc/75/97/43/646759743.db2.gz SSAIWXWDNHZADQ-AWEZNQCLSA-N 1 0 262.309 2.184 20 5 CEBDRO COCC[C@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000773943201 646788536 /nfs/dbraw/zinc/78/85/36/646788536.db2.gz LWHCIKMOXFKJJV-AWEZNQCLSA-N 1 0 298.314 2.019 20 5 CEBDRO Cc1cc(-c2noc(C3=CC[C@H]([NH3+])C3)n2)cc([N+](=O)[O-])c1 ZINC000863678389 646789506 /nfs/dbraw/zinc/78/95/06/646789506.db2.gz TZHPYHXBWQCDTF-NSHDSACASA-N 1 0 286.291 2.458 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000863922768 646851415 /nfs/dbraw/zinc/85/14/15/646851415.db2.gz CIFUXVRAGVLJMP-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776485674 647066214 /nfs/dbraw/zinc/06/62/14/647066214.db2.gz UNTROEQIRSODBG-GXTWGEPZSA-N 1 0 298.314 2.018 20 5 CEBDRO CSC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587918 647075959 /nfs/dbraw/zinc/07/59/59/647075959.db2.gz ZMPZJFKAKAVLEK-UONOGXRCSA-N 1 0 296.392 2.456 20 5 CEBDRO CC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593148 647077071 /nfs/dbraw/zinc/07/70/71/647077071.db2.gz QEZJNHZPIQEVCX-GXFFZTMASA-N 1 0 252.314 2.359 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000777445446 647137534 /nfs/dbraw/zinc/13/75/34/647137534.db2.gz MGONFYJZWRXZTH-NDPMZMCLSA-N 1 0 294.351 2.174 20 5 CEBDRO CC[C@]1(O)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000778397043 647227494 /nfs/dbraw/zinc/22/74/94/647227494.db2.gz OSLDZCZJULOTJR-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000865858835 647507029 /nfs/dbraw/zinc/50/70/29/647507029.db2.gz IMVPWKLZEHSXPT-KGLIPLIRSA-N 1 0 262.309 2.396 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205561 647668533 /nfs/dbraw/zinc/66/85/33/647668533.db2.gz FSIGKISUFATMMS-STQMWFEESA-N 1 0 275.352 2.434 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])s3)CC[C@H]21 ZINC000866205258 647668549 /nfs/dbraw/zinc/66/85/49/647668549.db2.gz KSXPMZSEKMHADK-VHSXEESVSA-N 1 0 267.354 2.187 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866207985 647671662 /nfs/dbraw/zinc/67/16/62/647671662.db2.gz ZGIRSHHXURPKJB-STQMWFEESA-N 1 0 275.352 2.434 20 5 CEBDRO CCOCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866237605 647686918 /nfs/dbraw/zinc/68/69/18/647686918.db2.gz LEQNFHWBRWNYJB-JTQLQIEISA-N 1 0 270.304 2.291 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866263126 647702998 /nfs/dbraw/zinc/70/29/98/647702998.db2.gz MYAHUUCLNLNNDM-YGRLFVJLSA-N 1 0 284.331 2.416 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)COC1 ZINC000866266098 647704782 /nfs/dbraw/zinc/70/47/82/647704782.db2.gz WTLZVCVJLIJGRV-JTQLQIEISA-N 1 0 282.315 2.291 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000866369121 647760374 /nfs/dbraw/zinc/76/03/74/647760374.db2.gz HKPNEVNXYGBENB-GAJTVXKRSA-N 1 0 282.315 2.168 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866717524 647879928 /nfs/dbraw/zinc/87/99/28/647879928.db2.gz HIGYTGXTARTYJR-GJZGRUSLSA-N 1 0 289.379 2.477 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000790695277 648440907 /nfs/dbraw/zinc/44/09/07/648440907.db2.gz MEIAFRSZWGTGTJ-NSHDSACASA-N 1 0 288.351 2.358 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000791053843 648477152 /nfs/dbraw/zinc/47/71/52/648477152.db2.gz HZXJYMPFSPWQMZ-JSGCOSHPSA-N 1 0 264.325 2.021 20 5 CEBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000791053681 648477305 /nfs/dbraw/zinc/47/73/05/648477305.db2.gz VUZMKRJIKBIEOT-VXGBXAGGSA-N 1 0 258.362 2.179 20 5 CEBDRO CC[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122770272 648604162 /nfs/dbraw/zinc/60/41/62/648604162.db2.gz SMEGENMAKAXBQO-GWCFXTLKSA-N 1 0 281.331 2.293 20 5 CEBDRO Cc1ccc(CNC(=O)CCCCC[NH3+])cc1[N+](=O)[O-] ZINC000870962968 648963618 /nfs/dbraw/zinc/96/36/18/648963618.db2.gz SZAXYOMBZSOSPX-UHFFFAOYSA-N 1 0 279.340 2.039 20 5 CEBDRO C[C@@H](NCCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017158 649241789 /nfs/dbraw/zinc/24/17/89/649241789.db2.gz VNPPREDCFACLPQ-SNVBAGLBSA-N 1 0 269.320 2.336 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO ZINC000872023512 649244123 /nfs/dbraw/zinc/24/41/23/649244123.db2.gz HZTVXXCRHHHLMM-BDAKNGLRSA-N 1 0 270.354 2.348 20 5 CEBDRO C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000872034181 649248471 /nfs/dbraw/zinc/24/84/71/649248471.db2.gz MAVOEIWRGDYLCH-ZJUUUORDSA-N 1 0 269.320 2.335 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052393 649255910 /nfs/dbraw/zinc/25/59/10/649255910.db2.gz DDMHABAUDFTNNS-SNVBAGLBSA-N 1 0 290.298 2.417 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312056 649353351 /nfs/dbraw/zinc/35/33/51/649353351.db2.gz MDOIKMMLLKDUTA-CABCVRRESA-N 1 0 292.335 2.275 20 5 CEBDRO CCc1nn(C)c(NCC2([NH2+]C)CCCCC2)c1[N+](=O)[O-] ZINC000872629467 649445383 /nfs/dbraw/zinc/44/53/83/649445383.db2.gz HKIMUEJSXVBXOZ-UHFFFAOYSA-N 1 0 295.387 2.225 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCO1 ZINC000873007377 649529772 /nfs/dbraw/zinc/52/97/72/649529772.db2.gz OCSVQCXHINJSRF-LBPRGKRZSA-N 1 0 264.325 2.480 20 5 CEBDRO Cc1c(C[NH2+][C@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000873015956 649531537 /nfs/dbraw/zinc/53/15/37/649531537.db2.gz CRMVUHLEHGZHMW-LLVKDONJSA-N 1 0 291.351 2.004 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873047833 649543487 /nfs/dbraw/zinc/54/34/87/649543487.db2.gz FMSQLGRVGJHDNI-OAHLLOKOSA-N 1 0 289.379 2.477 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C)COC1 ZINC000873050004 649543849 /nfs/dbraw/zinc/54/38/49/649543849.db2.gz OSRBXCIQTAQLQI-UHFFFAOYSA-N 1 0 264.325 2.338 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000873057736 649546079 /nfs/dbraw/zinc/54/60/79/649546079.db2.gz ZGLCPMUGZDMYJM-WCQYABFASA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000873078308 649554000 /nfs/dbraw/zinc/55/40/00/649554000.db2.gz HIGUZDFUBQDAHK-ZDUSSCGKSA-N 1 0 286.335 2.273 20 5 CEBDRO Cc1c(C[NH2+]CCN(C)CC(F)F)cccc1[N+](=O)[O-] ZINC000873147179 649570111 /nfs/dbraw/zinc/57/01/11/649570111.db2.gz YLAXMQTWABNPFM-UHFFFAOYSA-N 1 0 287.310 2.190 20 5 CEBDRO Cc1c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cccc1[N+](=O)[O-] ZINC000873149307 649570466 /nfs/dbraw/zinc/57/04/66/649570466.db2.gz BVNHXFNJEIASCW-UNPMEBSKSA-N 1 0 288.347 2.416 20 5 CEBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000873161815 649576140 /nfs/dbraw/zinc/57/61/40/649576140.db2.gz CIGZKSFAVLCUKT-JTQLQIEISA-N 1 0 284.337 2.089 20 5 CEBDRO Cc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873230349 649601951 /nfs/dbraw/zinc/60/19/51/649601951.db2.gz QAHWTHZKTJSHHE-GJZGRUSLSA-N 1 0 275.352 2.277 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)C(C)C ZINC000874469735 649779724 /nfs/dbraw/zinc/77/97/24/649779724.db2.gz DQUGWMZONRIVNW-UHFFFAOYSA-N 1 0 293.367 2.282 20 5 CEBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435855 651440549 /nfs/dbraw/zinc/44/05/49/651440549.db2.gz WASZQTVTPKIMPR-HIFRSBDPSA-N 1 0 294.351 2.139 20 5 CEBDRO Cc1ccc(Cn2cc([C@H]([NH3+])C(C)C)nn2)cc1[N+](=O)[O-] ZINC000881212406 651634411 /nfs/dbraw/zinc/63/44/11/651634411.db2.gz PWGDDXRZGSZENA-CQSZACIVSA-N 1 0 289.339 2.199 20 5 CEBDRO CCC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881774065 651881077 /nfs/dbraw/zinc/88/10/77/651881077.db2.gz UJDXMLRKYQYRRK-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000129592857 652035509 /nfs/dbraw/zinc/03/55/09/652035509.db2.gz WFHNUYFRNYEDPT-LLVKDONJSA-N 1 0 252.318 2.259 20 5 CEBDRO C[N@@H+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CCC1(C)C ZINC000882688766 652179674 /nfs/dbraw/zinc/17/96/74/652179674.db2.gz OIQPNHWDRDGBIB-UHFFFAOYSA-N 1 0 282.319 2.049 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)C1CC1 ZINC000883001921 652317611 /nfs/dbraw/zinc/31/76/11/652317611.db2.gz RNLAJGPIDYJOOI-CYBMUJFWSA-N 1 0 264.325 2.072 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883442434 652471319 /nfs/dbraw/zinc/47/13/19/652471319.db2.gz LCNQDQUCKKYGTH-VXGBXAGGSA-N 1 0 283.759 2.464 20 5 CEBDRO C[NH2+]C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000883449270 652473249 /nfs/dbraw/zinc/47/32/49/652473249.db2.gz HWYZBULTRPZAQS-CQSZACIVSA-N 1 0 293.367 2.048 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000884047930 652659518 /nfs/dbraw/zinc/65/95/18/652659518.db2.gz RHNDVTONCFVUQB-LBPRGKRZSA-N 1 0 279.340 2.476 20 5 CEBDRO Cc1c(C)c(N2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001165041609 721946164 /nfs/dbraw/zinc/94/61/64/721946164.db2.gz GINWAGSMATWKBC-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000203999872 805835049 /nfs/dbraw/zinc/83/50/49/805835049.db2.gz IDNAGGOMASOBSM-AWEZNQCLSA-N 1 0 279.315 2.266 20 5 CEBDRO CC(=O)Nc1cc(C)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227181557 805876050 /nfs/dbraw/zinc/87/60/50/805876050.db2.gz GFAXIDCPDBYMMV-LBPRGKRZSA-O 1 0 265.377 2.427 20 5 CEBDRO O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001228058975 806119865 /nfs/dbraw/zinc/11/98/65/806119865.db2.gz YXDXZINRHILHGL-SNVBAGLBSA-N 1 0 283.715 2.116 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2sc(=O)oc2c1 ZINC001228427467 806229582 /nfs/dbraw/zinc/22/95/82/806229582.db2.gz YIEDETOGAVBYMA-VIFPVBQESA-N 1 0 268.358 2.328 20 5 CEBDRO [NH3+]Cc1cnn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c1 ZINC001168262121 806452378 /nfs/dbraw/zinc/45/23/78/806452378.db2.gz LRNGFGYTKPYUEL-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160404136 806869600 /nfs/dbraw/zinc/86/96/00/806869600.db2.gz CJDMYWKIRFSJON-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CCOC(=O)C(F)(F)[C@@H](CC)OCCC[N+](C)(C)C ZINC001224624150 806870836 /nfs/dbraw/zinc/87/08/36/806870836.db2.gz UXKKZKFKEJUMOW-LLVKDONJSA-N 1 0 282.351 2.076 20 5 CEBDRO CC1(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000698047710 806958645 /nfs/dbraw/zinc/95/86/45/806958645.db2.gz CTBFGWNDAJNUMQ-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1cc(NC[C@@H]2CCN2C)c(F)cc1[N+](=O)[O-] ZINC000712533702 814763538 /nfs/dbraw/zinc/76/35/38/814763538.db2.gz HIPSEAXAJWXTDG-VIFPVBQESA-N 1 0 253.277 2.158 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000712558551 814766697 /nfs/dbraw/zinc/76/66/97/814766697.db2.gz QXFRKYGMZMLIIT-SNVBAGLBSA-N 1 0 272.308 2.259 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1F ZINC000690779915 803480710 /nfs/dbraw/zinc/48/07/10/803480710.db2.gz PEYFDDJNWKTVSX-NWDGAFQWSA-N 1 0 280.299 2.202 20 5 CEBDRO Cc1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC001217979238 803522720 /nfs/dbraw/zinc/52/27/20/803522720.db2.gz GUMQOAHKUKMICH-ZWNOBZJWSA-N 1 0 268.288 2.372 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000715554835 814978915 /nfs/dbraw/zinc/97/89/15/814978915.db2.gz YHTYMUQNAOOFHK-WDEREUQCSA-N 1 0 264.329 2.275 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C)C[C@H](O)C1 ZINC001173217870 815624770 /nfs/dbraw/zinc/62/47/70/815624770.db2.gz MVEIMYRJMNJKFI-BPNCWPANSA-N 1 0 264.325 2.029 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC001118401468 815011485 /nfs/dbraw/zinc/01/14/85/815011485.db2.gz LWKKCWUSCULOKO-ZDUSSCGKSA-N 1 0 298.314 2.363 20 5 CEBDRO CC[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794330 805299116 /nfs/dbraw/zinc/29/91/16/805299116.db2.gz NODHMDJAICTXKG-SECBINFHSA-N 1 0 254.261 2.207 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286091 815136367 /nfs/dbraw/zinc/13/63/67/815136367.db2.gz VEJHZSWKLMASGI-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000699807859 807852850 /nfs/dbraw/zinc/85/28/50/807852850.db2.gz CPLNTZNOVNAOEK-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC001119947721 815175609 /nfs/dbraw/zinc/17/56/09/815175609.db2.gz FANKIGBSBZBQCN-GFCCVEGCSA-N 1 0 295.387 2.108 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001120727208 815264177 /nfs/dbraw/zinc/26/41/77/815264177.db2.gz ROPMFKOJXNUJJD-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000700626569 809334019 /nfs/dbraw/zinc/33/40/19/809334019.db2.gz ZPJHDAVRVMWWGV-LDYMZIIASA-N 1 0 297.742 2.058 20 5 CEBDRO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC000701045972 809382970 /nfs/dbraw/zinc/38/29/70/809382970.db2.gz AFFHERRFPHGJRL-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701045531 809384145 /nfs/dbraw/zinc/38/41/45/809384145.db2.gz VNKKYUWFXYOJKO-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000702057653 809491703 /nfs/dbraw/zinc/49/17/03/809491703.db2.gz XSPAMRPZDYUFRX-WCBMZHEXSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000703989135 809714117 /nfs/dbraw/zinc/71/41/17/809714117.db2.gz MQDRRIFTNRPFDL-JQWIXIFHSA-N 1 0 282.315 2.184 20 5 CEBDRO CCOC(=O)CCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979178 811308197 /nfs/dbraw/zinc/30/81/97/811308197.db2.gz WXYMQFCJINPIQB-OLZOCXBDSA-N 1 0 286.372 2.145 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC001168982125 811309236 /nfs/dbraw/zinc/30/92/36/811309236.db2.gz IOOLAJVYYSOSRC-LEWSCRJBSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC001168959448 811313821 /nfs/dbraw/zinc/31/38/21/811313821.db2.gz WITPZNIVSKNNNK-OCCSQVGLSA-N 1 0 266.316 2.403 20 5 CEBDRO Cc1ccc2ncc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)n2c1 ZINC001168961287 811313947 /nfs/dbraw/zinc/31/39/47/811313947.db2.gz IPCWODPMDAOYCU-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970749 811320215 /nfs/dbraw/zinc/32/02/15/811320215.db2.gz IYSOECQQPDVUQO-DZGCQCFKSA-N 1 0 290.363 2.256 20 5 CEBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168968390 811320291 /nfs/dbraw/zinc/32/02/91/811320291.db2.gz YPCIAQDVIDCMAN-PRHODGIISA-N 1 0 283.278 2.325 20 5 CEBDRO CN(CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)Cc1ccccc1 ZINC001168974892 811322729 /nfs/dbraw/zinc/32/27/29/811322729.db2.gz SRXYTQPNKPBHHT-JKSUJKDBSA-N 1 0 291.395 2.153 20 5 CEBDRO CC1(C)CC([NH3+])CC(C)(C)[NH+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974669 811323275 /nfs/dbraw/zinc/32/32/75/811323275.db2.gz SDLJHVIYEXDXGN-DGCLKSJQSA-N 1 0 283.416 2.412 20 5 CEBDRO COc1cccc(OC)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974626 811324085 /nfs/dbraw/zinc/32/40/85/811324085.db2.gz RKEKYSSUAKSYGF-RYUDHWBXSA-N 1 0 294.351 2.239 20 5 CEBDRO [NH3+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cc[nH+]cc12 ZINC001168994636 811325232 /nfs/dbraw/zinc/32/52/32/811325232.db2.gz QTXSKAYBMKXIKY-DGCLKSJQSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cnc3ccc(F)cn23)C1 ZINC001169005328 811330157 /nfs/dbraw/zinc/33/01/57/811330157.db2.gz ANHXVGUQYLPAFE-PWSUYJOCSA-N 1 0 292.314 2.008 20 5 CEBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006922 811331451 /nfs/dbraw/zinc/33/14/51/811331451.db2.gz KFYJLXPFFUXVJF-VXGBXAGGSA-N 1 0 298.383 2.143 20 5 CEBDRO Cn1ncc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc21 ZINC001169006205 811331600 /nfs/dbraw/zinc/33/16/00/811331600.db2.gz WNMFIHLIOHZFKO-OCCSQVGLSA-N 1 0 288.351 2.108 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001169007254 811332599 /nfs/dbraw/zinc/33/25/99/811332599.db2.gz MCOQMCDCSKUVGC-GOEBONIOSA-N 1 0 295.427 2.382 20 5 CEBDRO CC[N@H+](Cc1ccccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036901 811345176 /nfs/dbraw/zinc/34/51/76/811345176.db2.gz QMRBZFPBXJTHOQ-OCCSQVGLSA-N 1 0 263.341 2.349 20 5 CEBDRO Cc1nc2c(s1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169033657 811346975 /nfs/dbraw/zinc/34/69/75/811346975.db2.gz CZLWFXSSDQGZNH-MNOVXSKESA-N 1 0 281.381 2.255 20 5 CEBDRO CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[C@@](C)(C[NH3+])C1 ZINC001169138926 811400889 /nfs/dbraw/zinc/40/08/89/811400889.db2.gz WSBRVJRXWJNZOC-IINYFYTJSA-N 1 0 293.371 2.340 20 5 CEBDRO Cc1cnc(-n2ncc3c2cccc3C[NH3+])cc1[N+](=O)[O-] ZINC001169192272 811424036 /nfs/dbraw/zinc/42/40/36/811424036.db2.gz MUSUCHFYOLHJRG-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO Cc1c(NCC[C@H]2CCC[NH2+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169564552 811569609 /nfs/dbraw/zinc/56/96/09/811569609.db2.gz QOKIECUOVHFRTR-SNVBAGLBSA-N 1 0 294.311 2.365 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001157266732 812064535 /nfs/dbraw/zinc/06/45/35/812064535.db2.gz WJPSCQFUQACBRC-MWLCHTKSSA-N 1 0 296.758 2.174 20 5 CEBDRO COc1ccc(C[C@H](C)n2cncc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170298437 812376627 /nfs/dbraw/zinc/37/66/27/812376627.db2.gz LWMHRNGOHLHISG-JTQLQIEISA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC001170305651 812380264 /nfs/dbraw/zinc/38/02/64/812380264.db2.gz ONKSWSZLDNYOTK-MNOVXSKESA-N 1 0 282.340 2.159 20 5 CEBDRO CCCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123575670 815533176 /nfs/dbraw/zinc/53/31/76/815533176.db2.gz YCPHAUMCNUKFGH-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO CC(C)(CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898974 815539639 /nfs/dbraw/zinc/53/96/39/815539639.db2.gz RGKHHJIASZFTRA-CYBMUJFWSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC001172895809 815542972 /nfs/dbraw/zinc/54/29/72/815542972.db2.gz JCCRVDBILOFURU-ZIAGYGMSSA-N 1 0 276.336 2.221 20 5 CEBDRO COc1cc(NCC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC001170890409 813618772 /nfs/dbraw/zinc/61/87/72/813618772.db2.gz KYDSNWACIOJFMX-MRVPVSSYSA-N 1 0 253.302 2.061 20 5 CEBDRO CC(=O)Nc1ccc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171333793 814581373 /nfs/dbraw/zinc/58/13/73/814581373.db2.gz FNFYOTKDCPWOEE-GFCCVEGCSA-N 1 0 292.339 2.107 20 5 CEBDRO CN1CC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000712581563 814753498 /nfs/dbraw/zinc/75/34/98/814753498.db2.gz NAIPFXZHTKZXBG-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000712559724 814766409 /nfs/dbraw/zinc/76/64/09/814766409.db2.gz WJPAZDGTRPTPBO-SNVBAGLBSA-N 1 0 272.308 2.259 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC001117281319 814913221 /nfs/dbraw/zinc/91/32/21/814913221.db2.gz QCXJNXKIIIAHGJ-LBPRGKRZSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CO)C1 ZINC001173223931 815627596 /nfs/dbraw/zinc/62/75/96/815627596.db2.gz BTDSXTALMRPDQQ-WFASDCNBSA-N 1 0 278.352 2.230 20 5 CEBDRO CC[NH+]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226642 815631452 /nfs/dbraw/zinc/63/14/52/815631452.db2.gz NDTFELUMZAZWJN-CYBMUJFWSA-N 1 0 277.368 2.163 20 5 CEBDRO CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC001173232784 815632314 /nfs/dbraw/zinc/63/23/14/815632314.db2.gz HWRJGGXGEXKFPV-NSHDSACASA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C(N)=O)C(C)(C)C ZINC001173232664 815633275 /nfs/dbraw/zinc/63/32/75/815633275.db2.gz FKESCRIQDPQFDS-GXFFZTMASA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@@H]1O ZINC001173208660 815635132 /nfs/dbraw/zinc/63/51/32/815635132.db2.gz AFFQBVSQSJEXCC-CQDKDKBSSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001173210313 815635368 /nfs/dbraw/zinc/63/53/68/815635368.db2.gz ISVLTMPNMUFDIZ-MISXGVKJSA-N 1 0 264.325 2.293 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ncccn1 ZINC001173236236 815635699 /nfs/dbraw/zinc/63/56/99/815635699.db2.gz ZBHLBTARHBHGEN-LBPRGKRZSA-N 1 0 286.335 2.148 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1C ZINC001173213026 815635879 /nfs/dbraw/zinc/63/58/79/815635879.db2.gz CQJSZUUBKOIWQO-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO Cc1ncn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CC[NH3+] ZINC001173213218 815637070 /nfs/dbraw/zinc/63/70/70/815637070.db2.gz GRKKVOBLVLVKKV-NSHDSACASA-N 1 0 288.351 2.405 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214582 815637081 /nfs/dbraw/zinc/63/70/81/815637081.db2.gz PJRJXJYVALZPMV-YPMHNXCESA-N 1 0 298.408 2.229 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCOC1 ZINC001173213946 815637333 /nfs/dbraw/zinc/63/73/33/815637333.db2.gz MFRSCOMHRCYLSZ-DGCLKSJQSA-N 1 0 264.325 2.294 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCO1 ZINC000449063171 282085778 /nfs/dbraw/zinc/08/57/78/282085778.db2.gz LMHLHBHGZMSKLM-AAEUAGOBSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337485807 214114048 /nfs/dbraw/zinc/11/40/48/214114048.db2.gz YQNMFYUYHKDEPS-JTQLQIEISA-N 1 0 252.318 2.227 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOC1 ZINC000449122403 282108578 /nfs/dbraw/zinc/10/85/78/282108578.db2.gz LGFGKPFSNXHIPP-YPMHNXCESA-N 1 0 264.325 2.294 20 5 CEBDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995842 361803262 /nfs/dbraw/zinc/80/32/62/361803262.db2.gz ROMRIPFBOVSMED-AWEZNQCLSA-N 1 0 277.368 2.477 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000121820254 365618806 /nfs/dbraw/zinc/61/88/06/365618806.db2.gz AGBCPXYSBORGAK-WCQYABFASA-N 1 0 291.351 2.080 20 5 CEBDRO COc1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000601324961 346821265 /nfs/dbraw/zinc/82/12/65/346821265.db2.gz SJMMHPIPFOHUDE-ZDUSSCGKSA-N 1 0 293.367 2.307 20 5 CEBDRO CCn1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000125224778 187175348 /nfs/dbraw/zinc/17/53/48/187175348.db2.gz NOLZBVWZFLEMRR-UHFFFAOYSA-N 1 0 260.297 2.101 20 5 CEBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449192258 282137032 /nfs/dbraw/zinc/13/70/32/282137032.db2.gz UAFDGWWJNOFSAD-XAAFQQQXSA-N 1 0 298.408 2.273 20 5 CEBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036794864 361859879 /nfs/dbraw/zinc/85/98/79/361859879.db2.gz NPZXMVANNWGKSE-GWCFXTLKSA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294973608 199277499 /nfs/dbraw/zinc/27/74/99/199277499.db2.gz FYCDIEDPMZQCGN-YPMHNXCESA-N 1 0 264.325 2.154 20 5 CEBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782984 361937311 /nfs/dbraw/zinc/93/73/11/361937311.db2.gz PMJDSXVZCRWTOT-NEPJUHHUSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)=CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567700311 299078507 /nfs/dbraw/zinc/07/85/07/299078507.db2.gz JJSKFBFXVPQKSI-UHFFFAOYSA-N 1 0 277.324 2.479 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000449271721 282166080 /nfs/dbraw/zinc/16/60/80/282166080.db2.gz ISZLPGATOQRCPD-SNVBAGLBSA-N 1 0 288.294 2.397 20 5 CEBDRO CC[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125746867 187198407 /nfs/dbraw/zinc/19/84/07/187198407.db2.gz GQFRSSOVINICPB-LBPRGKRZSA-N 1 0 291.351 2.290 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1C ZINC000449339158 282192443 /nfs/dbraw/zinc/19/24/43/282192443.db2.gz XDQIYORMZIBNBU-DMDPSCGWSA-N 1 0 264.325 2.293 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000294988283 199286599 /nfs/dbraw/zinc/28/65/99/199286599.db2.gz HKOFYRQPPSCSED-OUJBWJOFSA-N 1 0 280.324 2.259 20 5 CEBDRO COc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537151 362153750 /nfs/dbraw/zinc/15/37/50/362153750.db2.gz CRIMSLKZBRSAOJ-CYBMUJFWSA-N 1 0 293.367 2.035 20 5 CEBDRO CC/C=C\C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449452700 282243658 /nfs/dbraw/zinc/24/36/58/282243658.db2.gz GPDXTMXUNFLDIE-PLNGDYQASA-N 1 0 266.297 2.365 20 5 CEBDRO O=C(CC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026155578 343389643 /nfs/dbraw/zinc/38/96/43/343389643.db2.gz FZJXXHDELUPKBH-UHFFFAOYSA-N 1 0 277.324 2.409 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449495256 282257936 /nfs/dbraw/zinc/25/79/36/282257936.db2.gz HQYCIUIRUUPMET-BXUZGUMPSA-N 1 0 264.325 2.452 20 5 CEBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030270415 343404015 /nfs/dbraw/zinc/40/40/15/343404015.db2.gz ABTFHFRNBHHOKW-SNVBAGLBSA-N 1 0 279.340 2.314 20 5 CEBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676109 343438140 /nfs/dbraw/zinc/43/81/40/343438140.db2.gz OCDFQLYHCGJMEM-NWDGAFQWSA-N 1 0 293.367 2.030 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C2CC2)CC1 ZINC000127889163 187339277 /nfs/dbraw/zinc/33/92/77/187339277.db2.gz JWQPQHLGJLPCAV-HWKANZROSA-N 1 0 287.363 2.388 20 5 CEBDRO CC(C)OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743193 362223654 /nfs/dbraw/zinc/22/36/54/362223654.db2.gz NSTFRFOUWFKDAR-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000048284016 343528445 /nfs/dbraw/zinc/52/84/45/343528445.db2.gz VURQHERGNARVNJ-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601967739 346945286 /nfs/dbraw/zinc/94/52/86/346945286.db2.gz AHTZBDBQPSTKLI-GFCCVEGCSA-N 1 0 286.278 2.451 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415771448 529730226 /nfs/dbraw/zinc/73/02/26/529730226.db2.gz ZRGDENVEKUPBSE-LLVKDONJSA-N 1 0 292.339 2.112 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH3+] ZINC000415767767 529730487 /nfs/dbraw/zinc/73/04/87/529730487.db2.gz UQSDBIZTMRQMQO-UHFFFAOYSA-N 1 0 280.328 2.016 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccncc2[N+](=O)[O-])C1 ZINC000066808980 343722377 /nfs/dbraw/zinc/72/23/77/343722377.db2.gz YCZIEZZTRDEFRM-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000066864749 343724224 /nfs/dbraw/zinc/72/42/24/343724224.db2.gz HEDWLDUMNUIUHZ-UHFFFAOYSA-N 1 0 293.367 2.142 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449601997 282300362 /nfs/dbraw/zinc/30/03/62/282300362.db2.gz NYMWSZBPZOURLV-VNKGSWCUSA-N 1 0 291.351 2.112 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000069476538 343787533 /nfs/dbraw/zinc/78/75/33/343787533.db2.gz ZTYXVZSFUDVZNZ-SNVBAGLBSA-N 1 0 297.380 2.118 20 5 CEBDRO Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000075651152 343861456 /nfs/dbraw/zinc/86/14/56/343861456.db2.gz FLPSSRIDXQOAPR-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CN(CC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415116983 529906919 /nfs/dbraw/zinc/90/69/19/529906919.db2.gz YWPQCIZIPKVDOC-UHFFFAOYSA-N 1 0 292.364 2.109 20 5 CEBDRO CCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858493 343869452 /nfs/dbraw/zinc/86/94/52/343869452.db2.gz IXLYJJCDXVFGPJ-UHFFFAOYSA-N 1 0 264.325 2.332 20 5 CEBDRO CNC(=O)c1ccc(N2CCc3c[nH+]ccc32)c([N+](=O)[O-])c1 ZINC000175004830 529940570 /nfs/dbraw/zinc/94/05/70/529940570.db2.gz ARVRTNLZXBZYHK-UHFFFAOYSA-N 1 0 298.302 2.044 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295086368 199338039 /nfs/dbraw/zinc/33/80/39/199338039.db2.gz RAUGVKPBBLQIEF-WDEREUQCSA-N 1 0 274.267 2.089 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000093223994 344217107 /nfs/dbraw/zinc/21/71/07/344217107.db2.gz NPSVGUYYHYCCSJ-UHFFFAOYSA-N 1 0 289.339 2.097 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000049558810 362373171 /nfs/dbraw/zinc/37/31/71/362373171.db2.gz IGQYQLLHZUOQSF-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000122624291 344307109 /nfs/dbraw/zinc/30/71/09/344307109.db2.gz PPAZUQMLVYZEKJ-BXUZGUMPSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122881649 344308039 /nfs/dbraw/zinc/30/80/39/344308039.db2.gz LQKRAFVYMVKLJM-STQMWFEESA-N 1 0 293.367 2.163 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)c1 ZINC000133773241 344370327 /nfs/dbraw/zinc/37/03/27/344370327.db2.gz OTTKVOMTCYJQDE-UHFFFAOYSA-N 1 0 279.340 2.357 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000137114111 344386837 /nfs/dbraw/zinc/38/68/37/344386837.db2.gz UMDGIDUMAXZCFP-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC2)c(Cl)c1 ZINC000049963516 362387872 /nfs/dbraw/zinc/38/78/72/362387872.db2.gz NBVJCHRNXNLUIP-VIFPVBQESA-N 1 0 270.716 2.374 20 5 CEBDRO Cn1cc(C[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])n1 ZINC000602478085 347051803 /nfs/dbraw/zinc/05/18/03/347051803.db2.gz VXSRIXKGRKBDQH-UHFFFAOYSA-N 1 0 264.329 2.235 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C[NH3+])CCCC1 ZINC000165544397 344474863 /nfs/dbraw/zinc/47/48/63/344474863.db2.gz DIPBDSOCGOBMSJ-UHFFFAOYSA-N 1 0 277.324 2.361 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCSC2)cc1 ZINC000167462103 344478597 /nfs/dbraw/zinc/47/85/97/344478597.db2.gz VEQHCRQFJFGMHO-LLVKDONJSA-N 1 0 282.365 2.459 20 5 CEBDRO CC[C@H](C)C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481180 347053193 /nfs/dbraw/zinc/05/31/93/347053193.db2.gz AKZDHVHOGJEQPC-JTQLQIEISA-N 1 0 254.334 2.196 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770755 344551407 /nfs/dbraw/zinc/55/14/07/344551407.db2.gz CWSZYOKNYWMQOG-SECBINFHSA-N 1 0 270.358 2.194 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000228560545 344561089 /nfs/dbraw/zinc/56/10/89/344561089.db2.gz YHEWOBLEWLDDME-VIFPVBQESA-N 1 0 278.243 2.208 20 5 CEBDRO CSCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602498885 347058730 /nfs/dbraw/zinc/05/87/30/347058730.db2.gz LTHUZGDRYRCJPO-UHFFFAOYSA-N 1 0 267.310 2.189 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCO3)nc2c1 ZINC000602499210 347058562 /nfs/dbraw/zinc/05/85/62/347058562.db2.gz PDCXEIOXDXTZIY-SNVBAGLBSA-N 1 0 277.280 2.005 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000050373638 362416524 /nfs/dbraw/zinc/41/65/24/362416524.db2.gz ZFAKIDSNIANYDZ-DGCLKSJQSA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)C1CCC1 ZINC000449742343 282349223 /nfs/dbraw/zinc/34/92/23/282349223.db2.gz YYNZNPZWPCGTDQ-UVCVVPOWSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272624251 344667930 /nfs/dbraw/zinc/66/79/30/344667930.db2.gz VEUHLEKSSBMZEG-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000277318893 344671581 /nfs/dbraw/zinc/67/15/81/344671581.db2.gz DHHSJFXAZFMQLQ-DOMZBBRYSA-N 1 0 294.351 2.378 20 5 CEBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000251875136 344638152 /nfs/dbraw/zinc/63/81/52/344638152.db2.gz UTHNSRCAHJMWHV-SMDDNHRTSA-N 1 0 293.367 2.163 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH3+] ZINC000313445272 344742466 /nfs/dbraw/zinc/74/24/66/344742466.db2.gz BDUINTVHMWQDMM-HZMBPMFUSA-N 1 0 281.331 2.293 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000313871551 344743794 /nfs/dbraw/zinc/74/37/94/344743794.db2.gz LRGKRTGBXHYLFQ-NSHDSACASA-N 1 0 293.371 2.248 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1OCC[C@H]1CC[NH2+]C1 ZINC000302616097 344704309 /nfs/dbraw/zinc/70/43/09/344704309.db2.gz ZABQJSNBYIFYDF-MRVPVSSYSA-N 1 0 271.704 2.022 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000449752405 282354509 /nfs/dbraw/zinc/35/45/09/282354509.db2.gz MWHAZHKHZQNIGQ-HLNBJZMBSA-N 1 0 262.309 2.111 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1NCCC[NH2+]C1CC1 ZINC000306092168 344711772 /nfs/dbraw/zinc/71/17/72/344711772.db2.gz KBWFENYEGOFSTE-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449767032 282359989 /nfs/dbraw/zinc/35/99/89/282359989.db2.gz POFWUYFMIAUKIZ-GXFFZTMASA-N 1 0 264.325 2.106 20 5 CEBDRO CC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401157326 344866394 /nfs/dbraw/zinc/86/63/94/344866394.db2.gz JEWRNLDEFMDHMD-UHFFFAOYSA-N 1 0 268.292 2.025 20 5 CEBDRO Cc1c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590012835 345109800 /nfs/dbraw/zinc/10/98/00/345109800.db2.gz ZLIZBBQDBSBFLH-ZFWWWQNUSA-N 1 0 275.352 2.039 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)[C@@H]1C ZINC000590759039 345175485 /nfs/dbraw/zinc/17/54/85/345175485.db2.gz CEDQPTOWUOVCQP-SMDDNHRTSA-N 1 0 294.351 2.337 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000590567106 345146034 /nfs/dbraw/zinc/14/60/34/345146034.db2.gz WTQNHAFFTFXIKO-RISCZKNCSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591298934 345238022 /nfs/dbraw/zinc/23/80/22/345238022.db2.gz DXCRRTODUXVDDW-UHFFFAOYSA-N 1 0 292.339 2.248 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](C)CO ZINC000273938133 192370367 /nfs/dbraw/zinc/37/03/67/192370367.db2.gz DAUOQCKDJWSRAK-VXGBXAGGSA-N 1 0 296.367 2.489 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ccc1[N+](=O)[O-] ZINC000591436563 345253826 /nfs/dbraw/zinc/25/38/26/345253826.db2.gz BUZDDJKQXIHRDI-DGCLKSJQSA-N 1 0 261.325 2.091 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591439284 345254814 /nfs/dbraw/zinc/25/48/14/345254814.db2.gz SLFKBLXMDPILPG-NWDGAFQWSA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2ncccc12 ZINC000591439588 345254872 /nfs/dbraw/zinc/25/48/72/345254872.db2.gz WLSGANXUHJBRHL-YPMHNXCESA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1c(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000591672928 345273420 /nfs/dbraw/zinc/27/34/20/345273420.db2.gz WPQHSZFOYHUUKX-SECBINFHSA-N 1 0 299.277 2.087 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000591757321 345277516 /nfs/dbraw/zinc/27/75/16/345277516.db2.gz NUJUJBLFYRQSEC-FZMZJTMJSA-N 1 0 294.351 2.113 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000592380631 345347947 /nfs/dbraw/zinc/34/79/47/345347947.db2.gz WVPGCKAPHQBGHQ-DMBZQDCGSA-N 1 0 262.309 2.375 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1O ZINC000592380000 345348111 /nfs/dbraw/zinc/34/81/11/345348111.db2.gz HJHHDPUTCOHGDR-WCBMZHEXSA-N 1 0 298.364 2.293 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438939 345353241 /nfs/dbraw/zinc/35/32/41/345353241.db2.gz WTXPXJFIVBQSMC-CQSZACIVSA-N 1 0 275.352 2.359 20 5 CEBDRO CC1([NH3+])CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000592484947 345359692 /nfs/dbraw/zinc/35/96/92/345359692.db2.gz KDDZFGZKRQPIDR-UHFFFAOYSA-N 1 0 267.304 2.047 20 5 CEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000593203107 345452901 /nfs/dbraw/zinc/45/29/01/345452901.db2.gz BHRWSRGXUPDTFH-UHFFFAOYSA-N 1 0 293.367 2.303 20 5 CEBDRO Cc1cc(N(C)CC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000593516678 345502113 /nfs/dbraw/zinc/50/21/13/345502113.db2.gz QDINIOSDNZFEBT-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000593721148 345527089 /nfs/dbraw/zinc/52/70/89/345527089.db2.gz ODEWYJWEPCWSFY-IUODEOHRSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719504 345527440 /nfs/dbraw/zinc/52/74/40/345527440.db2.gz YZSQTJYVHXNJAB-ZYHUDNBSSA-N 1 0 270.304 2.274 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593901173 345550145 /nfs/dbraw/zinc/55/01/45/345550145.db2.gz ADJAHPXQTZHZJJ-RYUDHWBXSA-N 1 0 291.351 2.162 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCOCC1 ZINC000594501998 345638996 /nfs/dbraw/zinc/63/89/96/345638996.db2.gz AQBAQZRFODPORW-CYBMUJFWSA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1cc(N(C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122239522 232205647 /nfs/dbraw/zinc/20/56/47/232205647.db2.gz GEGZTCROWFUBOJ-JTQLQIEISA-N 1 0 275.308 2.268 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C/C=C/CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071657 345739259 /nfs/dbraw/zinc/73/92/59/345739259.db2.gz PSILMJXAOMJVOP-XGACYXMMSA-N 1 0 276.336 2.455 20 5 CEBDRO Cc1c(NC(=O)NCC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000595231019 345746830 /nfs/dbraw/zinc/74/68/30/345746830.db2.gz XBHUFCBZXLMVSA-LLVKDONJSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1nc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000594922948 345703080 /nfs/dbraw/zinc/70/30/80/345703080.db2.gz IGTKNOQQHTWRQS-UHFFFAOYSA-N 1 0 290.323 2.103 20 5 CEBDRO COC[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000594955687 345715699 /nfs/dbraw/zinc/71/56/99/345715699.db2.gz SATGEMBDOWOKKS-CQSZACIVSA-N 1 0 282.340 2.044 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964642 345718751 /nfs/dbraw/zinc/71/87/51/345718751.db2.gz LLKHEDIIGTUDEK-SIFORAMQSA-N 1 0 296.392 2.374 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C3)o2)c1 ZINC000595000796 345723789 /nfs/dbraw/zinc/72/37/89/345723789.db2.gz LRNYVLNUOBZKMS-AULYBMBSSA-N 1 0 288.303 2.468 20 5 CEBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602580205 347087230 /nfs/dbraw/zinc/08/72/30/347087230.db2.gz FDYWEYOQHIMIRF-UHFFFAOYSA-N 1 0 291.307 2.395 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(C)O ZINC000595031661 345730971 /nfs/dbraw/zinc/73/09/71/345730971.db2.gz AWGAFTWYPUBOIQ-SNVBAGLBSA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1noc(C[NH2+][C@@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000595424218 345778294 /nfs/dbraw/zinc/77/82/94/345778294.db2.gz PIELSBIACINFSG-LBPRGKRZSA-N 1 0 297.355 2.312 20 5 CEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595429136 345780648 /nfs/dbraw/zinc/78/06/48/345780648.db2.gz LZPZTQNAQPPRKR-NXEZZACHSA-N 1 0 298.314 2.411 20 5 CEBDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595598810 345822015 /nfs/dbraw/zinc/82/20/15/345822015.db2.gz GXISXVLXLPDRAM-QWHCGFSZSA-N 1 0 296.367 2.455 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000595510889 345800342 /nfs/dbraw/zinc/80/03/42/345800342.db2.gz DPUSTUUUINIDPA-OASPWFOLSA-N 1 0 295.339 2.184 20 5 CEBDRO Cc1c(C[N@@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595833223 345890210 /nfs/dbraw/zinc/89/02/10/345890210.db2.gz BLAFUUMQECTLGU-UHFFFAOYSA-N 1 0 262.309 2.126 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000595776748 345873830 /nfs/dbraw/zinc/87/38/30/345873830.db2.gz CUOLTYYSJLUQRD-KGLIPLIRSA-N 1 0 276.336 2.030 20 5 CEBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595868645 345902186 /nfs/dbraw/zinc/90/21/86/345902186.db2.gz XIUXMGFKGPQGNF-NWDGAFQWSA-N 1 0 266.345 2.444 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595962845 345918674 /nfs/dbraw/zinc/91/86/74/345918674.db2.gz VKRPHOUJYGIQRN-UHFFFAOYSA-N 1 0 293.367 2.329 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438638 232278929 /nfs/dbraw/zinc/27/89/29/232278929.db2.gz HUMCPHFIXLCROS-ZYHUDNBSSA-N 1 0 284.381 2.359 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCCC[C@@H]1CC[NH3+] ZINC000596015352 345923601 /nfs/dbraw/zinc/92/36/01/345923601.db2.gz CPNPQCRQQSYLGN-LLVKDONJSA-N 1 0 279.340 2.311 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CN1C1CC1 ZINC000596156645 345954409 /nfs/dbraw/zinc/95/44/09/345954409.db2.gz QQJSFJLZEOWJND-RKDXNWHRSA-N 1 0 296.758 2.102 20 5 CEBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596087377 345936490 /nfs/dbraw/zinc/93/64/90/345936490.db2.gz AJQYWZGCADDPNJ-UHFFFAOYSA-N 1 0 281.381 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000596091541 345937779 /nfs/dbraw/zinc/93/77/79/345937779.db2.gz MYNCHDUUBLSBIS-GFCCVEGCSA-N 1 0 298.346 2.214 20 5 CEBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596241942 345978148 /nfs/dbraw/zinc/97/81/48/345978148.db2.gz KWBDQWBVMFGMAG-CYBMUJFWSA-N 1 0 296.758 2.175 20 5 CEBDRO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298133 345993830 /nfs/dbraw/zinc/99/38/30/345993830.db2.gz UQSBXJJWKZOILP-PWSUYJOCSA-N 1 0 292.339 2.124 20 5 CEBDRO C[C@H](CCNc1nccc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000596429598 346021562 /nfs/dbraw/zinc/02/15/62/346021562.db2.gz IGNLXEUBJCTLSN-LLVKDONJSA-N 1 0 288.351 2.317 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596334581 346002269 /nfs/dbraw/zinc/00/22/69/346002269.db2.gz CRKKDUDKBDBKQL-SECBINFHSA-N 1 0 282.319 2.414 20 5 CEBDRO Cc1nn(C)c(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596486899 346036131 /nfs/dbraw/zinc/03/61/31/346036131.db2.gz BKNFPKSCKFGHPB-LLVKDONJSA-N 1 0 295.387 2.169 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596654350 346072906 /nfs/dbraw/zinc/07/29/06/346072906.db2.gz JRAKSPJYSNFGMM-QMTHXVAHSA-N 1 0 263.341 2.170 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597071335 346123701 /nfs/dbraw/zinc/12/37/01/346123701.db2.gz USQNJXDHGDMGLA-HIFRSBDPSA-N 1 0 276.336 2.294 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000597212325 346150355 /nfs/dbraw/zinc/15/03/55/346150355.db2.gz UJMHUNQNNMWHLF-FQDRTLPPSA-N 1 0 288.347 2.455 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000273276960 192097970 /nfs/dbraw/zinc/09/79/70/192097970.db2.gz HPVNZTDKXOQLIB-ZKQHCESOSA-N 1 0 291.351 2.064 20 5 CEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598466140 346361908 /nfs/dbraw/zinc/36/19/08/346361908.db2.gz LCHFFPBXKBUAGJ-UHFFFAOYSA-N 1 0 283.328 2.038 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC)C1 ZINC000599015376 346445980 /nfs/dbraw/zinc/44/59/80/346445980.db2.gz MAPBXUGBQFHQNZ-AULYBMBSSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914476 346433312 /nfs/dbraw/zinc/43/33/12/346433312.db2.gz FPSIHRKEDFHRTO-ZETCQYMHSA-N 1 0 286.719 2.107 20 5 CEBDRO Cc1c(C(=O)NC2(C[NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000602600041 347094888 /nfs/dbraw/zinc/09/48/88/347094888.db2.gz GMBQZGFDSVKOSF-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000602594731 347092436 /nfs/dbraw/zinc/09/24/36/347092436.db2.gz CQGVTTQVGPLILQ-CMPLNLGQSA-N 1 0 291.351 2.280 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000129017196 365818029 /nfs/dbraw/zinc/81/80/29/365818029.db2.gz GLQLFHRYPQTPNG-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CCCF)CC1 ZINC000599669525 346559044 /nfs/dbraw/zinc/55/90/44/346559044.db2.gz JYVJWAOZOWHIJL-UHFFFAOYSA-N 1 0 299.321 2.211 20 5 CEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599605184 346544968 /nfs/dbraw/zinc/54/49/68/346544968.db2.gz VDQKHSLMSQEMJL-CYBMUJFWSA-N 1 0 292.339 2.057 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000599625574 346547759 /nfs/dbraw/zinc/54/77/59/346547759.db2.gz NGDPZSWSEDRSQO-NWJSVONSSA-N 1 0 294.351 2.375 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000599985613 346589640 /nfs/dbraw/zinc/58/96/40/346589640.db2.gz HTLWSWDGDDWIDD-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO CC[C@@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712339 346675790 /nfs/dbraw/zinc/67/57/90/346675790.db2.gz WWVNCMZQAZHUEE-CQSZACIVSA-N 1 0 293.367 2.143 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000601116371 346756939 /nfs/dbraw/zinc/75/69/39/346756939.db2.gz RYNGXHJTRAARQX-GFCCVEGCSA-N 1 0 294.330 2.194 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601140494 346766866 /nfs/dbraw/zinc/76/68/66/346766866.db2.gz VXEIHDQYXHPSFD-JQFQDSKBSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NCCC[NH+]1CCCCC1 ZINC000601100495 346752575 /nfs/dbraw/zinc/75/25/75/346752575.db2.gz DVKWIHQJEOIVJK-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184111 346780123 /nfs/dbraw/zinc/78/01/23/346780123.db2.gz HJZPESOPFPJPMJ-ZJUUUORDSA-N 1 0 296.758 2.031 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601190980 346782098 /nfs/dbraw/zinc/78/20/98/346782098.db2.gz HRHAWCYPTKHYMQ-SNVBAGLBSA-N 1 0 282.319 2.414 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000602705485 347160125 /nfs/dbraw/zinc/16/01/25/347160125.db2.gz GNOSLCOMMGRHSY-ZWNOBZJWSA-N 1 0 287.323 2.024 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2(CO)CCC2)cc1 ZINC000602711694 347164486 /nfs/dbraw/zinc/16/44/86/347164486.db2.gz JHXBFYYHOCJKLX-UHFFFAOYSA-N 1 0 278.352 2.280 20 5 CEBDRO C[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602654096 347124887 /nfs/dbraw/zinc/12/48/87/347124887.db2.gz IYEGVDBRXQHLMY-SMDDNHRTSA-N 1 0 290.367 2.347 20 5 CEBDRO CC[C@@](C)(C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733799 347177445 /nfs/dbraw/zinc/17/74/45/347177445.db2.gz WQUJTOLYWLBCSC-LSDHHAIUSA-N 1 0 296.367 2.207 20 5 CEBDRO C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931798 347250421 /nfs/dbraw/zinc/25/04/21/347250421.db2.gz SEPLXMCSTDKGHD-KOLCDFICSA-N 1 0 270.354 2.249 20 5 CEBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000602873433 347234275 /nfs/dbraw/zinc/23/42/75/347234275.db2.gz ONFCLYWQIIUGAF-OLZOCXBDSA-N 1 0 296.371 2.037 20 5 CEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000603858322 347392480 /nfs/dbraw/zinc/39/24/80/347392480.db2.gz QPKVJSIHPHASKB-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604552820 347422073 /nfs/dbraw/zinc/42/20/73/347422073.db2.gz YQSGJCWARJOHSV-NSHDSACASA-N 1 0 291.351 2.055 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1C ZINC000609548399 347642860 /nfs/dbraw/zinc/64/28/60/347642860.db2.gz ZRRDFCMOQHGMEO-CQSZACIVSA-N 1 0 291.351 2.038 20 5 CEBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000609708000 347649757 /nfs/dbraw/zinc/64/97/57/347649757.db2.gz VFBGDHJETPLEJR-JYKYSHPRSA-N 1 0 264.325 2.357 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610114767 347660674 /nfs/dbraw/zinc/66/06/74/347660674.db2.gz BBYBOEQZOCXEDY-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000610413856 347680056 /nfs/dbraw/zinc/68/00/56/347680056.db2.gz FWUWVIFPCGUZBH-UHFFFAOYSA-N 1 0 294.355 2.400 20 5 CEBDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762498 347712318 /nfs/dbraw/zinc/71/23/18/347712318.db2.gz QGGLPLHEKMLZMA-BXUZGUMPSA-N 1 0 289.335 2.408 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839196 365909597 /nfs/dbraw/zinc/90/95/97/365909597.db2.gz ODZLQJBKRKLBLP-NSHDSACASA-N 1 0 274.324 2.451 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000611370626 347770423 /nfs/dbraw/zinc/77/04/23/347770423.db2.gz MBCBSCDLUGQDBR-JTQLQIEISA-N 1 0 255.343 2.408 20 5 CEBDRO COCC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611412451 347776158 /nfs/dbraw/zinc/77/61/58/347776158.db2.gz PWQMWZQKALFIPR-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO COCCC[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000611412679 347776341 /nfs/dbraw/zinc/77/63/41/347776341.db2.gz DDPVDBWAWCQCGY-UHFFFAOYSA-N 1 0 273.358 2.037 20 5 CEBDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000610990795 347728374 /nfs/dbraw/zinc/72/83/74/347728374.db2.gz NIMOXOMKHAQIMA-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO CC[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611082438 347737179 /nfs/dbraw/zinc/73/71/79/347737179.db2.gz HDHRDZNAZSNXRX-LLVKDONJSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271292 347760768 /nfs/dbraw/zinc/76/07/68/347760768.db2.gz FSCBMYYSSLXPSC-SNVBAGLBSA-N 1 0 278.308 2.350 20 5 CEBDRO COC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611516431 347788987 /nfs/dbraw/zinc/78/89/87/347788987.db2.gz VNXHPZWSJRFLNR-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611516762 347789358 /nfs/dbraw/zinc/78/93/58/347789358.db2.gz TUNZWLYFFNKSMT-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)c2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000611519158 347790229 /nfs/dbraw/zinc/79/02/29/347790229.db2.gz RPJDUNNQLARARV-SECBINFHSA-N 1 0 290.323 2.486 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCC(C)CC1 ZINC000336849087 365925527 /nfs/dbraw/zinc/92/55/27/365925527.db2.gz PMYQBYGLPLTIEI-UHFFFAOYSA-N 1 0 295.387 2.263 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612135269 347848497 /nfs/dbraw/zinc/84/84/97/347848497.db2.gz YELKZMNGMHDUPR-OICBVUGWSA-N 1 0 276.336 2.359 20 5 CEBDRO CCc1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000613066846 347968152 /nfs/dbraw/zinc/96/81/52/347968152.db2.gz APXZOVDBHHSCNS-SNVBAGLBSA-N 1 0 289.339 2.169 20 5 CEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000613704741 348093709 /nfs/dbraw/zinc/09/37/09/348093709.db2.gz POTXAJUEUXXBNH-NSHDSACASA-N 1 0 298.412 2.094 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@@H](C)CO ZINC000273347533 192120903 /nfs/dbraw/zinc/12/09/03/192120903.db2.gz AGQZTLJQSRDDRF-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000273457159 192159330 /nfs/dbraw/zinc/15/93/30/192159330.db2.gz PWWZWIPAXVOFQU-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090539437 180000152 /nfs/dbraw/zinc/00/01/52/180000152.db2.gz YZJFNGDEOGUZCK-LLVKDONJSA-N 1 0 266.345 2.350 20 5 CEBDRO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720502 180030293 /nfs/dbraw/zinc/03/02/93/180030293.db2.gz CXASYQGXAZKBDH-TZMCWYRMSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412087507 233335007 /nfs/dbraw/zinc/33/50/07/233335007.db2.gz OZIPSENTVWDVDX-WCQYABFASA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105489212 186061100 /nfs/dbraw/zinc/06/11/00/186061100.db2.gz FQGIVYDUFVWRES-LLVKDONJSA-N 1 0 263.341 2.167 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069000776 362952762 /nfs/dbraw/zinc/95/27/62/362952762.db2.gz CCPICGISFDPUDY-SNVBAGLBSA-N 1 0 294.311 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845688 180270264 /nfs/dbraw/zinc/27/02/64/180270264.db2.gz NOOYZRNFOCADLF-UHFFFAOYSA-N 1 0 291.351 2.245 20 5 CEBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000092379982 180371809 /nfs/dbraw/zinc/37/18/09/180371809.db2.gz ZWGYJJCMMRSSOJ-SOFGYWHQSA-N 1 0 292.335 2.493 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCC[NH+](C)C ZINC000339741622 215320735 /nfs/dbraw/zinc/32/07/35/215320735.db2.gz FXQWSXDGGLNJNB-UHFFFAOYSA-N 1 0 297.380 2.137 20 5 CEBDRO CC[N@H+](CCNCc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000106468958 186120611 /nfs/dbraw/zinc/12/06/11/186120611.db2.gz VMFBNDTUUKSHBK-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000107829992 186194419 /nfs/dbraw/zinc/19/44/19/186194419.db2.gz KWFUTLCDJABSMU-WDEREUQCSA-N 1 0 262.313 2.029 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000109705385 186269311 /nfs/dbraw/zinc/26/93/11/186269311.db2.gz MSCVLDNQZJKZSW-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000130725819 365983973 /nfs/dbraw/zinc/98/39/73/365983973.db2.gz VDWGMERKRHVEAF-VIFPVBQESA-N 1 0 270.354 2.445 20 5 CEBDRO C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110717431 186316357 /nfs/dbraw/zinc/31/63/57/186316357.db2.gz ZUVUWJBKHMSVKM-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO CCC[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018661 186345279 /nfs/dbraw/zinc/34/52/79/186345279.db2.gz URWVKBMRHJBSTL-TZMCWYRMSA-N 1 0 291.351 2.304 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070170086 363043315 /nfs/dbraw/zinc/04/33/15/363043315.db2.gz YUNPUMCCUPEWFZ-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000121842742 186999959 /nfs/dbraw/zinc/99/99/59/186999959.db2.gz OUBSNYUQKKIODG-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000291878590 198093388 /nfs/dbraw/zinc/09/33/88/198093388.db2.gz LJNTYAUWKRTDSM-LLVKDONJSA-N 1 0 279.340 2.053 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000122828051 187054323 /nfs/dbraw/zinc/05/43/23/187054323.db2.gz LUCMONSOIVSWGF-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000124223739 187127583 /nfs/dbraw/zinc/12/75/83/187127583.db2.gz NUDHSGYPHZUAGV-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000291916028 198104596 /nfs/dbraw/zinc/10/45/96/198104596.db2.gz RDXQENOXEWWAOM-SECBINFHSA-N 1 0 285.319 2.352 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072857739 363171372 /nfs/dbraw/zinc/17/13/72/363171372.db2.gz ZTFBKUDGRRNPEW-AWEZNQCLSA-N 1 0 277.368 2.368 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000239 363191283 /nfs/dbraw/zinc/19/12/83/363191283.db2.gz GIFOCUHNELKCGQ-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO CC(C)([NH2+]CCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000292264896 198223509 /nfs/dbraw/zinc/22/35/09/198223509.db2.gz ZAGWSLCVEVORSE-UHFFFAOYSA-N 1 0 274.324 2.316 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCCC1 ZINC000152206880 188001979 /nfs/dbraw/zinc/00/19/79/188001979.db2.gz MNJZPUIHNGRJKV-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)CO ZINC000292347841 198253865 /nfs/dbraw/zinc/25/38/65/198253865.db2.gz XGUPEZHAZDEUOQ-SNVBAGLBSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153740199 188101110 /nfs/dbraw/zinc/10/11/10/188101110.db2.gz AONKBKBNTZBMPD-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000153756678 188102093 /nfs/dbraw/zinc/10/20/93/188102093.db2.gz VKQRZIFXZUZXEK-ZDUSSCGKSA-N 1 0 252.314 2.359 20 5 CEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155749371 188224590 /nfs/dbraw/zinc/22/45/90/188224590.db2.gz ZYDDXHMZOADURY-FZMZJTMJSA-N 1 0 291.351 2.053 20 5 CEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000157176167 188302246 /nfs/dbraw/zinc/30/22/46/188302246.db2.gz ZHZHFGBEIUUMPG-LLVKDONJSA-N 1 0 297.380 2.030 20 5 CEBDRO C[C@@H](CCC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295180221 199390694 /nfs/dbraw/zinc/39/06/94/199390694.db2.gz HINGVZAPQZFAQH-NSHDSACASA-N 1 0 293.367 2.116 20 5 CEBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000292689924 198377997 /nfs/dbraw/zinc/37/79/97/198377997.db2.gz NKJJZVKZTVMUTR-LBPRGKRZSA-N 1 0 293.367 2.237 20 5 CEBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337231660 366093463 /nfs/dbraw/zinc/09/34/63/366093463.db2.gz XJBITOIGFJHFSL-UWVGGRQHSA-N 1 0 268.288 2.249 20 5 CEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000132043679 366113134 /nfs/dbraw/zinc/11/31/34/366113134.db2.gz BOWIUSPMQLMXOY-BPJJOFIESA-N 1 0 262.309 2.329 20 5 CEBDRO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000132747518 366168754 /nfs/dbraw/zinc/16/87/54/366168754.db2.gz OUEYHHJLQQMHLC-UFBFGSQYSA-N 1 0 297.742 2.058 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451543680 283028031 /nfs/dbraw/zinc/02/80/31/283028031.db2.gz LPSHXXLKONFYIB-RISCZKNCSA-N 1 0 294.351 2.460 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000133236795 366206751 /nfs/dbraw/zinc/20/67/51/366206751.db2.gz CINKIUSCINFYJL-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO C[NH2+]C[C@@H](C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000133237602 366206896 /nfs/dbraw/zinc/20/68/96/366206896.db2.gz NMTFFQBEZYITFB-SNVBAGLBSA-N 1 0 274.324 2.410 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451571062 283038185 /nfs/dbraw/zinc/03/81/85/283038185.db2.gz POCKYNBOLDCGKK-SMDDNHRTSA-N 1 0 294.351 2.460 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749541 363382724 /nfs/dbraw/zinc/38/27/24/363382724.db2.gz SQTFIZHJQRATOJ-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172932282 188834473 /nfs/dbraw/zinc/83/44/73/188834473.db2.gz JMPUVSDIUNLWOF-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[N@H+]1CC=C(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000271891739 191394099 /nfs/dbraw/zinc/39/40/99/191394099.db2.gz XESYZTLHDCIXHX-UHFFFAOYSA-N 1 0 265.288 2.408 20 5 CEBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163682 540203987 /nfs/dbraw/zinc/20/39/87/540203987.db2.gz HKVXZAPTDQVDKP-GXFFZTMASA-N 1 0 291.351 2.362 20 5 CEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000273008138 192016282 /nfs/dbraw/zinc/01/62/82/192016282.db2.gz IQGVUBDWRFBTEF-LBPRGKRZSA-N 1 0 296.367 2.312 20 5 CEBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451959219 283152092 /nfs/dbraw/zinc/15/20/92/283152092.db2.gz YAPCBZBDCYBVCB-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000075782606 363489521 /nfs/dbraw/zinc/48/95/21/363489521.db2.gz XNWUXSRIZYTALV-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000452117415 283193441 /nfs/dbraw/zinc/19/34/41/283193441.db2.gz CXYOZSXXDUTMMD-CQSZACIVSA-N 1 0 278.352 2.232 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134701284 366353392 /nfs/dbraw/zinc/35/33/92/366353392.db2.gz HIJBXZFTZPGGPL-ZDUSSCGKSA-N 1 0 252.314 2.010 20 5 CEBDRO COc1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000134917362 366372954 /nfs/dbraw/zinc/37/29/54/366372954.db2.gz OGVAHYMZCVAEHS-UHFFFAOYSA-N 1 0 265.313 2.111 20 5 CEBDRO COc1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000134928252 366376303 /nfs/dbraw/zinc/37/63/03/366376303.db2.gz DZFZVQPTMAAKPZ-WDEREUQCSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414513128 236394903 /nfs/dbraw/zinc/39/49/03/236394903.db2.gz JSAITIZYFMJQRX-MDZLAQPJSA-N 1 0 264.325 2.498 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])C(C)C ZINC000414786358 236478988 /nfs/dbraw/zinc/47/89/88/236478988.db2.gz AUPFVYLBHKRAMX-CYBMUJFWSA-N 1 0 281.356 2.066 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570817718 299278911 /nfs/dbraw/zinc/27/89/11/299278911.db2.gz QYHDGNYMAINQRN-RWMBFGLXSA-N 1 0 275.352 2.482 20 5 CEBDRO CC(C)CC[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000578006353 366428944 /nfs/dbraw/zinc/42/89/44/366428944.db2.gz CBQMKPXLBSPAMV-CQSZACIVSA-N 1 0 296.367 2.360 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468475 366444082 /nfs/dbraw/zinc/44/40/82/366444082.db2.gz MQXBIYOUKNYPRW-VWYCJHECSA-N 1 0 252.314 2.262 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465666 366444415 /nfs/dbraw/zinc/44/44/15/366444415.db2.gz PRSXVBCRTDROST-GWCFXTLKSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000415423651 236670143 /nfs/dbraw/zinc/67/01/43/236670143.db2.gz ZEWKRJSHIUCHMX-CQSZACIVSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415479120 236674844 /nfs/dbraw/zinc/67/48/44/236674844.db2.gz DVQBNGQRQISMRU-NSHDSACASA-N 1 0 292.339 2.024 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341273740 215905256 /nfs/dbraw/zinc/90/52/56/215905256.db2.gz XPDSIYUIDSSSEI-TZMCWYRMSA-N 1 0 264.325 2.500 20 5 CEBDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417350152 283432889 /nfs/dbraw/zinc/43/28/89/283432889.db2.gz OLBOQZYORPLWFS-IINYFYTJSA-N 1 0 291.351 2.086 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417352625 237090950 /nfs/dbraw/zinc/09/09/50/237090950.db2.gz GOASHHQRIZUNAU-VHRBIJSZSA-N 1 0 264.325 2.467 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000137111366 366535894 /nfs/dbraw/zinc/53/58/94/366535894.db2.gz YNNFOKHDIKNGFV-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1c(CN2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000297956130 200308938 /nfs/dbraw/zinc/30/89/38/200308938.db2.gz UCZXZAIBOKMAML-UHFFFAOYSA-N 1 0 263.341 2.041 20 5 CEBDRO CC(=O)c1cc(N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000579388493 366640423 /nfs/dbraw/zinc/64/04/23/366640423.db2.gz VNFHJRCCJRLNMT-GHMZBOCLSA-N 1 0 291.351 2.326 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000177592940 189058959 /nfs/dbraw/zinc/05/89/59/189058959.db2.gz LRRILXQFPCGDJC-JSGCOSHPSA-N 1 0 291.351 2.197 20 5 CEBDRO C[N@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000081589933 363732732 /nfs/dbraw/zinc/73/27/32/363732732.db2.gz BOVKMVWOBGOOMT-UHFFFAOYSA-N 1 0 287.323 2.044 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000178226240 189099365 /nfs/dbraw/zinc/09/93/65/189099365.db2.gz WSXVMNAPEZGWJF-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000083662400 363782419 /nfs/dbraw/zinc/78/24/19/363782419.db2.gz WWYYJYXRPDHRCN-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183288646 189353562 /nfs/dbraw/zinc/35/35/62/189353562.db2.gz VWTMWWJJDDOCEY-LLVKDONJSA-N 1 0 280.324 2.144 20 5 CEBDRO COC1CC[NH+](CCNc2sccc2[N+](=O)[O-])CC1 ZINC000302019387 201303407 /nfs/dbraw/zinc/30/34/07/201303407.db2.gz NARYWSDUYSXGGP-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237159674 370696345 /nfs/dbraw/zinc/69/63/45/370696345.db2.gz RILYEBXIANEOHM-HNNXBMFYSA-N 1 0 299.330 2.253 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000089449909 363968310 /nfs/dbraw/zinc/96/83/10/363968310.db2.gz YZUISJLJFVOANZ-ZYHUDNBSSA-N 1 0 277.324 2.217 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181197 364046240 /nfs/dbraw/zinc/04/62/40/364046240.db2.gz DQDSOIRQQOLBBI-CMPLNLGQSA-N 1 0 289.335 2.009 20 5 CEBDRO Cc1cnc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090824900 364067581 /nfs/dbraw/zinc/06/75/81/364067581.db2.gz GPPSUXDGOQVRIU-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO CCc1nn(C)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093113028 364142376 /nfs/dbraw/zinc/14/23/76/364142376.db2.gz SLGPWTVQACAZTH-UHFFFAOYSA-N 1 0 288.351 2.489 20 5 CEBDRO CC(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092669499 364096411 /nfs/dbraw/zinc/09/64/11/364096411.db2.gz IHTPKGWYMXPPBR-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO C[C@@H](O)CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093481199 364189864 /nfs/dbraw/zinc/18/98/64/364189864.db2.gz UOXCQWWRGVAURI-HOSRBBHYSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093988656 364244642 /nfs/dbraw/zinc/24/46/42/364244642.db2.gz OZYNRGPTNYXMII-NXEZZACHSA-N 1 0 297.380 2.177 20 5 CEBDRO Cc1sc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000093988654 364245169 /nfs/dbraw/zinc/24/51/69/364245169.db2.gz OZYNRGPTNYXMII-ZJUUUORDSA-N 1 0 297.380 2.177 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000335175767 364579001 /nfs/dbraw/zinc/57/90/01/364579001.db2.gz YSJSMEYCOGBKTF-RYUDHWBXSA-N 1 0 250.323 2.285 20 5 CEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000104274428 364690343 /nfs/dbraw/zinc/69/03/43/364690343.db2.gz UULMIRAWYJETNO-AWEZNQCLSA-N 1 0 291.351 2.085 20 5 CEBDRO COCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000112352745 364797407 /nfs/dbraw/zinc/79/74/07/364797407.db2.gz LBNXMYZIXRSJRU-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000112716663 364834872 /nfs/dbraw/zinc/83/48/72/364834872.db2.gz OMUUMVRASBEZCP-UHFFFAOYSA-N 1 0 273.292 2.294 20 5 CEBDRO Cn1cc([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000116311960 365050129 /nfs/dbraw/zinc/05/01/29/365050129.db2.gz HPIGOZSOJNBZKA-NSHDSACASA-N 1 0 292.364 2.379 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843747 365185411 /nfs/dbraw/zinc/18/54/11/365185411.db2.gz RQZONTHESJETHH-AWEZNQCLSA-N 1 0 277.368 2.368 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000119286923 365246537 /nfs/dbraw/zinc/24/65/37/365246537.db2.gz DMJAETCUVMWORF-YRGRVCCFSA-N 1 0 293.367 2.171 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000245408410 370816316 /nfs/dbraw/zinc/81/63/16/370816316.db2.gz HBCWDINMAVUFKD-TZMCWYRMSA-N 1 0 278.356 2.446 20 5 CEBDRO Cn1ncc(Cl)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000275671175 193101639 /nfs/dbraw/zinc/10/16/39/193101639.db2.gz YWBRJDLKAUYSAD-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418202 366878471 /nfs/dbraw/zinc/87/84/71/366878471.db2.gz UCQUBAZFAHGJFV-YNEHKIRRSA-N 1 0 294.351 2.094 20 5 CEBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000275703268 193109313 /nfs/dbraw/zinc/10/93/13/193109313.db2.gz BTXCBCUWLVDKBL-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000275748893 193119447 /nfs/dbraw/zinc/11/94/47/193119447.db2.gz CUAJOYCPJQLHIK-LBPRGKRZSA-N 1 0 278.308 2.386 20 5 CEBDRO C[N@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000159720993 366943309 /nfs/dbraw/zinc/94/33/09/366943309.db2.gz KBZFSBSRCQHJHF-UHFFFAOYSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000159648369 366935958 /nfs/dbraw/zinc/93/59/58/366935958.db2.gz JWMDDGFBWHKNLV-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO Cc1nc(NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000161550007 367095147 /nfs/dbraw/zinc/09/51/47/367095147.db2.gz NMPCICDLTRPELS-NSHDSACASA-N 1 0 264.329 2.052 20 5 CEBDRO CC(C)[C@@H](CO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342219900 367394761 /nfs/dbraw/zinc/39/47/61/367394761.db2.gz SCMMDFGVYPWLKJ-BRLPQQTGSA-N 1 0 278.352 2.462 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171040890 367467493 /nfs/dbraw/zinc/46/74/93/367467493.db2.gz WMTGSNBMUQSGEH-GFCCVEGCSA-N 1 0 280.324 2.072 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000171068167 367470259 /nfs/dbraw/zinc/47/02/59/367470259.db2.gz ZEIRPCGRGPNOTO-GFCCVEGCSA-N 1 0 292.339 2.071 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051542 370886671 /nfs/dbraw/zinc/88/66/71/370886671.db2.gz WODRHCBQGHGGDG-AEGPPILISA-N 1 0 294.351 2.033 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343425704 367806874 /nfs/dbraw/zinc/80/68/74/367806874.db2.gz FBBUHQBDHPWUBA-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343550751 367878492 /nfs/dbraw/zinc/87/84/92/367878492.db2.gz LBVLBWKYUORYQS-STQMWFEESA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343455512 367825983 /nfs/dbraw/zinc/82/59/83/367825983.db2.gz JDTSJYKZOIWQFY-RKDXNWHRSA-N 1 0 295.368 2.199 20 5 CEBDRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173619711 367927620 /nfs/dbraw/zinc/92/76/20/367927620.db2.gz IEPLSZPXMOOZRT-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176230096 368214370 /nfs/dbraw/zinc/21/43/70/368214370.db2.gz CVZVHQGRJACXLR-QWRGUYRKSA-N 1 0 252.318 2.054 20 5 CEBDRO COC[C@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178029907 368286260 /nfs/dbraw/zinc/28/62/60/368286260.db2.gz RFZQTYGUXLNVRS-LLVKDONJSA-N 1 0 252.314 2.309 20 5 CEBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181575620 368471813 /nfs/dbraw/zinc/47/18/13/368471813.db2.gz XQPFGIJRKDRRJP-SECBINFHSA-N 1 0 296.277 2.420 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656043 368479331 /nfs/dbraw/zinc/47/93/31/368479331.db2.gz BHIPNJJCCDORSU-NHYWBVRUSA-N 1 0 287.319 2.374 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345942953 368489552 /nfs/dbraw/zinc/48/95/52/368489552.db2.gz FIFZHDXYCKLGEO-NWDGAFQWSA-N 1 0 291.351 2.150 20 5 CEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000346408903 368666127 /nfs/dbraw/zinc/66/61/27/368666127.db2.gz KMRGWULJJFZFPY-SNVBAGLBSA-N 1 0 296.758 2.316 20 5 CEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C)cs1 ZINC000184354806 368688928 /nfs/dbraw/zinc/68/89/28/368688928.db2.gz DHEUCAZPPQXARS-JTQLQIEISA-N 1 0 295.368 2.297 20 5 CEBDRO Cc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346643326 368748222 /nfs/dbraw/zinc/74/82/22/368748222.db2.gz CRBXNRQEVWYZEL-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO CCC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185880249 368880061 /nfs/dbraw/zinc/88/00/61/368880061.db2.gz UVYKCQLXBZOIGA-ZDUSSCGKSA-N 1 0 293.367 2.411 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187103586 369101894 /nfs/dbraw/zinc/10/18/94/369101894.db2.gz YIIWNQFWUKZHAE-JMSVASOKSA-N 1 0 292.335 2.261 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000330660773 203090553 /nfs/dbraw/zinc/09/05/53/203090553.db2.gz BPGHOOKMTBTNJS-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO CC[C@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348903160 369194738 /nfs/dbraw/zinc/19/47/38/369194738.db2.gz GHSFNNHGKRZPRM-NSHDSACASA-N 1 0 251.330 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(F)c1 ZINC000349329640 369298967 /nfs/dbraw/zinc/29/89/67/369298967.db2.gz IIQQGSNWBGCVDB-SNVBAGLBSA-N 1 0 296.220 2.137 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000188171172 369311048 /nfs/dbraw/zinc/31/10/48/369311048.db2.gz YMKWSRMJNDENIX-OAHLLOKOSA-N 1 0 294.351 2.126 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000349935014 369457030 /nfs/dbraw/zinc/45/70/30/369457030.db2.gz MSNKOXLEFBDXKZ-VIFPVBQESA-N 1 0 290.323 2.027 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349962838 369467511 /nfs/dbraw/zinc/46/75/11/369467511.db2.gz HUFBVPDKSCZAGF-CYBMUJFWSA-N 1 0 250.298 2.124 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000276187981 193238061 /nfs/dbraw/zinc/23/80/61/193238061.db2.gz ICFHKBRQJXNLJF-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000276233585 193251479 /nfs/dbraw/zinc/25/14/79/193251479.db2.gz OHKGSZORSIWYGI-UHFFFAOYSA-N 1 0 299.396 2.379 20 5 CEBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189631116 369549693 /nfs/dbraw/zinc/54/96/93/369549693.db2.gz WRDKQQGRGCXUCW-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189657383 369554629 /nfs/dbraw/zinc/55/46/29/369554629.db2.gz IZCONUXESURAJT-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352400191 369711350 /nfs/dbraw/zinc/71/13/50/369711350.db2.gz PRKKULHZVZHCDN-SNVBAGLBSA-N 1 0 250.298 2.445 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCO ZINC000276524318 193366998 /nfs/dbraw/zinc/36/69/98/193366998.db2.gz CNQROQQOFDXNAY-UHFFFAOYSA-N 1 0 282.340 2.198 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000352791828 369879959 /nfs/dbraw/zinc/87/99/59/369879959.db2.gz JFLUUHBCBCISKJ-JOYOIKCWSA-N 1 0 282.365 2.445 20 5 CEBDRO COc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352881323 369929649 /nfs/dbraw/zinc/92/96/49/369929649.db2.gz IYZJFKNOZOXFJY-CQSZACIVSA-N 1 0 282.340 2.100 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000193456772 369943859 /nfs/dbraw/zinc/94/38/59/369943859.db2.gz OGNUDPGEBYPCFU-CYBMUJFWSA-N 1 0 292.383 2.488 20 5 CEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000194290608 370023021 /nfs/dbraw/zinc/02/30/21/370023021.db2.gz IFSCEWUYGZWDPY-UHFFFAOYSA-N 1 0 295.339 2.181 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)s1 ZINC000195506558 370134915 /nfs/dbraw/zinc/13/49/15/370134915.db2.gz FYFYZZGETQAECV-UHFFFAOYSA-N 1 0 270.358 2.339 20 5 CEBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000220202251 370231060 /nfs/dbraw/zinc/23/10/60/370231060.db2.gz OYMCJLONUIDBIO-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO C[N@H+](CCCCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000227052979 370355455 /nfs/dbraw/zinc/35/54/55/370355455.db2.gz DQIOKQKUPQESDL-UHFFFAOYSA-N 1 0 270.304 2.328 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000354354088 370328512 /nfs/dbraw/zinc/32/85/12/370328512.db2.gz OQJPIEMZTYJFSH-VXGBXAGGSA-N 1 0 278.356 2.299 20 5 CEBDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228977412 370416096 /nfs/dbraw/zinc/41/60/96/370416096.db2.gz WUFKVRIGBOCUEM-RYUDHWBXSA-N 1 0 293.367 2.406 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704241 370466143 /nfs/dbraw/zinc/46/61/43/370466143.db2.gz QOUBQOHLWWRXDU-LLVKDONJSA-N 1 0 252.339 2.498 20 5 CEBDRO Cc1cnc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000231137509 370475002 /nfs/dbraw/zinc/47/50/02/370475002.db2.gz SPLNCMHBPGCWDF-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000231483001 370480642 /nfs/dbraw/zinc/48/06/42/370480642.db2.gz AVTXAQGDKNDZMT-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1c(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000231489266 370482075 /nfs/dbraw/zinc/48/20/75/370482075.db2.gz ALJHOOIVXCMJKD-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1sc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236772729 370624258 /nfs/dbraw/zinc/62/42/58/370624258.db2.gz SCIDQNMPQSVEBH-JTQLQIEISA-N 1 0 299.396 2.410 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000247557994 371125767 /nfs/dbraw/zinc/12/57/67/371125767.db2.gz ZINYUUHTNAKCBK-MWLCHTKSSA-N 1 0 297.380 2.069 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]21 ZINC000248427493 371193002 /nfs/dbraw/zinc/19/30/02/371193002.db2.gz OSRBRUQMZLQACL-JHJVBQTASA-N 1 0 278.356 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000235741053 189831023 /nfs/dbraw/zinc/83/10/23/189831023.db2.gz AAEHZEUKPDSEAG-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1ccccc1[N+](=O)[O-] ZINC000359050625 371319530 /nfs/dbraw/zinc/31/95/30/371319530.db2.gz DIRMSSLAUVTLLD-ZDUSSCGKSA-N 1 0 263.341 2.169 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](C)O ZINC000361008814 371596219 /nfs/dbraw/zinc/59/62/19/371596219.db2.gz HHYMVISRRBAOCC-YTRUQHMWSA-N 1 0 264.325 2.311 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@]1(O)CCSC1 ZINC000255906378 371597865 /nfs/dbraw/zinc/59/78/65/371597865.db2.gz OFFKCRSCSKKNIH-MFBWXBCUSA-N 1 0 294.376 2.066 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000261574835 371657355 /nfs/dbraw/zinc/65/73/55/371657355.db2.gz YININPOLCXWLQM-CYBMUJFWSA-N 1 0 263.341 2.073 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261738840 371715261 /nfs/dbraw/zinc/71/52/61/371715261.db2.gz LVRUAAWYKZJXFR-GXFFZTMASA-N 1 0 295.770 2.432 20 5 CEBDRO [NH3+]C1(c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)CCC1 ZINC000261770421 371726659 /nfs/dbraw/zinc/72/66/59/371726659.db2.gz DRMWOLBHSFKSET-UHFFFAOYSA-N 1 0 278.243 2.122 20 5 CEBDRO CC(C)(C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000344222162 217105916 /nfs/dbraw/zinc/10/59/16/217105916.db2.gz SHBWWWCOAQSSJG-LBPRGKRZSA-N 1 0 293.367 2.125 20 5 CEBDRO Cc1nc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000268515463 372124187 /nfs/dbraw/zinc/12/41/87/372124187.db2.gz TXLOOGMNOIYKLG-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)cc1 ZINC000268758981 372211648 /nfs/dbraw/zinc/21/16/48/372211648.db2.gz ZKXDHZNNQUEVRA-UHFFFAOYSA-N 1 0 261.325 2.316 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362365566 372332289 /nfs/dbraw/zinc/33/22/89/372332289.db2.gz OTDRFHDOCKKRSV-JQWIXIFHSA-N 1 0 277.324 2.039 20 5 CEBDRO CNC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000362964711 372593298 /nfs/dbraw/zinc/59/32/98/372593298.db2.gz WQOYEOXOSKXBNF-GFCCVEGCSA-N 1 0 299.758 2.108 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000270066272 372655374 /nfs/dbraw/zinc/65/53/74/372655374.db2.gz HRRFFMATWHUJHT-ZFWWWQNUSA-N 1 0 278.352 2.230 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364316414 372725102 /nfs/dbraw/zinc/72/51/02/372725102.db2.gz LZRCLESJESUAKJ-MFKMUULPSA-N 1 0 262.309 2.113 20 5 CEBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344603027 217246266 /nfs/dbraw/zinc/24/62/66/217246266.db2.gz JPNBYEPKCLNXDI-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491678 220114641 /nfs/dbraw/zinc/11/46/41/220114641.db2.gz SLVFTKPXDJXOCF-GWCFXTLKSA-N 1 0 264.325 2.264 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631165 193713523 /nfs/dbraw/zinc/71/35/23/193713523.db2.gz YYZUNGBFPKIWTC-MWLCHTKSSA-N 1 0 291.307 2.251 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000344759666 217302331 /nfs/dbraw/zinc/30/23/31/217302331.db2.gz MDHZJCCHIXDFHZ-GFCCVEGCSA-N 1 0 288.294 2.434 20 5 CEBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270949240 373028821 /nfs/dbraw/zinc/02/88/21/373028821.db2.gz SOMTVJQHFHTTLL-MISXGVKJSA-N 1 0 264.325 2.359 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[S@](C)=O ZINC000344816572 217320359 /nfs/dbraw/zinc/32/03/59/217320359.db2.gz RULBQXPSAHZQHV-FLQNYUFMSA-N 1 0 296.392 2.355 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000345006192 217382463 /nfs/dbraw/zinc/38/24/63/217382463.db2.gz XYCSMDBSAWAXAB-UHFFFAOYSA-N 1 0 285.307 2.062 20 5 CEBDRO Cc1c(CN2CC[NH2+][C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000379440130 321825357 /nfs/dbraw/zinc/82/53/57/321825357.db2.gz QWKRWIWZUOKTHI-NWDGAFQWSA-N 1 0 263.341 2.085 20 5 CEBDRO O=C1OCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371147789 373800038 /nfs/dbraw/zinc/80/00/38/373800038.db2.gz KJYDNTKSGJNEMC-UHFFFAOYSA-N 1 0 290.319 2.124 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353679890 220250702 /nfs/dbraw/zinc/25/07/02/220250702.db2.gz HSLAGXMJHLURCV-FEGLDZKKSA-N 1 0 287.363 2.292 20 5 CEBDRO CCOc1cc(C[N@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000276864841 374328243 /nfs/dbraw/zinc/32/82/43/374328243.db2.gz GXOJIZFYKVAFNC-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO CC(C)(C)OCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586345 374385848 /nfs/dbraw/zinc/38/58/48/374385848.db2.gz SFWSUETUZKLNPB-GFCCVEGCSA-N 1 0 296.371 2.243 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000374051245 374473508 /nfs/dbraw/zinc/47/35/08/374473508.db2.gz QLXUNSJUBYCYKO-GFCCVEGCSA-N 1 0 287.323 2.093 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374412064 374566457 /nfs/dbraw/zinc/56/64/57/374566457.db2.gz PPGXYOVQXACGCC-JSGCOSHPSA-N 1 0 276.336 2.453 20 5 CEBDRO C[NH2+]C(C)(C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278406189 374807322 /nfs/dbraw/zinc/80/73/22/374807322.db2.gz NITVTSUXJBQONT-UHFFFAOYSA-N 1 0 292.261 2.419 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000381173988 375170239 /nfs/dbraw/zinc/17/02/39/375170239.db2.gz OQLPBMRZXHBZMZ-JQWIXIFHSA-N 1 0 279.315 2.231 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282809853 375580933 /nfs/dbraw/zinc/58/09/33/375580933.db2.gz RGCYQMHXXBKGRZ-GHMZBOCLSA-N 1 0 297.330 2.028 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1cccc([N+](=O)[O-])c1 ZINC000282937044 375617973 /nfs/dbraw/zinc/61/79/73/375617973.db2.gz YQIXRXFLUGIUQK-MFKMUULPSA-N 1 0 297.330 2.110 20 5 CEBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283254607 375680447 /nfs/dbraw/zinc/68/04/47/375680447.db2.gz VQCLZXRIKLTHCK-GXFFZTMASA-N 1 0 282.315 2.469 20 5 CEBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000283844161 375769494 /nfs/dbraw/zinc/76/94/94/375769494.db2.gz FQJYWLIJLVJMQW-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162577 375819687 /nfs/dbraw/zinc/81/96/87/375819687.db2.gz PWWSYMJRWZXFDH-PKFCDNJMSA-N 1 0 281.356 2.235 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2CC(F)F)cc1 ZINC000286484529 375969795 /nfs/dbraw/zinc/96/97/95/375969795.db2.gz OPBXQSMTCKELKG-LBPRGKRZSA-N 1 0 286.278 2.451 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414701024 375928724 /nfs/dbraw/zinc/92/87/24/375928724.db2.gz KOXLDUSNIZWYDV-QWRGUYRKSA-N 1 0 292.339 2.295 20 5 CEBDRO CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000286568161 375997737 /nfs/dbraw/zinc/99/77/37/375997737.db2.gz RFJACRBJBRTHEF-NEPJUHHUSA-N 1 0 299.371 2.216 20 5 CEBDRO CC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286587382 376005281 /nfs/dbraw/zinc/00/52/81/376005281.db2.gz QNSIFOZTVCGOMS-CYBMUJFWSA-N 1 0 277.368 2.163 20 5 CEBDRO COc1ccc(C[NH2+]CC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000264314903 190103357 /nfs/dbraw/zinc/10/33/57/190103357.db2.gz DXVRNEIXTJXHAA-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000420244950 376654848 /nfs/dbraw/zinc/65/48/48/376654848.db2.gz ZCHXLZJQDBIHGT-ZJUUUORDSA-N 1 0 287.323 2.220 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000311951422 376695351 /nfs/dbraw/zinc/69/53/51/376695351.db2.gz MUYZCTVFLAREAL-OLZOCXBDSA-N 1 0 264.325 2.500 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000314145441 376764157 /nfs/dbraw/zinc/76/41/57/376764157.db2.gz KEALKHBPXXBKIX-CHWSQXEVSA-N 1 0 293.342 2.450 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000313685802 376749806 /nfs/dbraw/zinc/74/98/06/376749806.db2.gz QBNPQRHBDUJQNJ-ZIAGYGMSSA-N 1 0 280.299 2.391 20 5 CEBDRO CCC[C@H]([NH2+]C[C@@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323433 376797545 /nfs/dbraw/zinc/79/75/45/376797545.db2.gz MHAHCBZYYAPQIY-CABCVRRESA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000320587562 376825553 /nfs/dbraw/zinc/82/55/53/376825553.db2.gz VDQGFXZBWUFLFK-SFYZADRCSA-N 1 0 285.731 2.104 20 5 CEBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000290590271 376846159 /nfs/dbraw/zinc/84/61/59/376846159.db2.gz CYDLNGDCCYNFHY-SECBINFHSA-N 1 0 297.384 2.445 20 5 CEBDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000422940785 376869055 /nfs/dbraw/zinc/86/90/55/376869055.db2.gz JAKMRHZDZRBLEN-QWHCGFSZSA-N 1 0 263.341 2.344 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000290881368 376966715 /nfs/dbraw/zinc/96/67/15/376966715.db2.gz DURJOFMBKWPMKS-SECBINFHSA-N 1 0 285.369 2.115 20 5 CEBDRO CCC[C@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423200266 377115502 /nfs/dbraw/zinc/11/55/02/377115502.db2.gz FEVQSHTWAALCCF-OCCSQVGLSA-N 1 0 263.341 2.388 20 5 CEBDRO CC[NH2+]CCN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423250957 377170579 /nfs/dbraw/zinc/17/05/79/377170579.db2.gz VCTDREMYJVHZSJ-CQSZACIVSA-N 1 0 277.368 2.115 20 5 CEBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000293022921 377397478 /nfs/dbraw/zinc/39/74/78/377397478.db2.gz OZVIADCFXGBWBT-VIFPVBQESA-N 1 0 258.343 2.295 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292983919 377381752 /nfs/dbraw/zinc/38/17/52/377381752.db2.gz LKZCYOBMZGHQIU-JOYOIKCWSA-N 1 0 270.354 2.297 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000293202010 377469011 /nfs/dbraw/zinc/46/90/11/377469011.db2.gz XSDFANBAOSBAEW-AWEZNQCLSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H]1C ZINC000293362353 377537625 /nfs/dbraw/zinc/53/76/25/377537625.db2.gz INEZMIKQTXNQTC-MXWKQRLJSA-N 1 0 277.324 2.262 20 5 CEBDRO CCCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430952607 377572865 /nfs/dbraw/zinc/57/28/65/377572865.db2.gz ZLAXRVGMXYFOMK-ZDUSSCGKSA-N 1 0 293.367 2.048 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000313014831 249375927 /nfs/dbraw/zinc/37/59/27/249375927.db2.gz FFFWGCAAHSPJAZ-SECBINFHSA-N 1 0 256.327 2.171 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000439122077 377919723 /nfs/dbraw/zinc/91/97/23/377919723.db2.gz XHCWMYLDTZRODG-CYBMUJFWSA-N 1 0 295.383 2.408 20 5 CEBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000295252495 378071768 /nfs/dbraw/zinc/07/17/68/378071768.db2.gz FFJHIWRSFGRZBK-GWCFXTLKSA-N 1 0 279.340 2.112 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527359 378111821 /nfs/dbraw/zinc/11/18/21/378111821.db2.gz GKHLFMWDHOXEFL-XQQFMLRXSA-N 1 0 296.371 2.026 20 5 CEBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000266082815 190228769 /nfs/dbraw/zinc/22/87/69/190228769.db2.gz YIXMEHJQSPIZRN-ZDUSSCGKSA-N 1 0 276.292 2.319 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296204899 378452142 /nfs/dbraw/zinc/45/21/42/378452142.db2.gz FOCZCXAXQISYFF-NWDGAFQWSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000450793506 378583143 /nfs/dbraw/zinc/58/31/43/378583143.db2.gz OXEMZJUTDBCGPV-YPMHNXCESA-N 1 0 261.325 2.044 20 5 CEBDRO CS[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296448853 378535324 /nfs/dbraw/zinc/53/53/24/378535324.db2.gz WLRDESVGVJWOOM-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO COC[C@@]1(C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776060 378644751 /nfs/dbraw/zinc/64/47/51/378644751.db2.gz PYHSUSMDIWRUOE-HNNXBMFYSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000266172389 190237154 /nfs/dbraw/zinc/23/71/54/190237154.db2.gz RQGPTTAXYPUHKY-OAHLLOKOSA-N 1 0 290.319 2.494 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413940 378894346 /nfs/dbraw/zinc/89/43/46/378894346.db2.gz WVKGDIUNAGHRRN-IAQYHMDHSA-N 1 0 291.351 2.223 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000453421913 378899461 /nfs/dbraw/zinc/89/94/61/378899461.db2.gz ZMWFVKODQNEDOD-UXIGCNINSA-N 1 0 278.352 2.419 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000346994107 218082603 /nfs/dbraw/zinc/08/26/03/218082603.db2.gz BSQGGGDTYJKLIX-RYUDHWBXSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347035385 218099805 /nfs/dbraw/zinc/09/98/05/218099805.db2.gz GOLUCJGHBCRMBE-SMDDNHRTSA-N 1 0 263.341 2.072 20 5 CEBDRO [NH3+]C[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347169833 218143479 /nfs/dbraw/zinc/14/34/79/218143479.db2.gz MQGBYVTZNMGHJG-HZRUHFOJSA-N 1 0 275.352 2.421 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000278688841 194103444 /nfs/dbraw/zinc/10/34/44/194103444.db2.gz ZHPPDHKQNCPFLG-UHFFFAOYSA-N 1 0 275.308 2.162 20 5 CEBDRO C[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000347361749 218206321 /nfs/dbraw/zinc/20/63/21/218206321.db2.gz VRTNEHXAMBELIU-CQSZACIVSA-N 1 0 295.314 2.357 20 5 CEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C1 ZINC000299679634 379105625 /nfs/dbraw/zinc/10/56/25/379105625.db2.gz VAELHMOLQHHGRP-WDEREUQCSA-N 1 0 277.324 2.264 20 5 CEBDRO CCOC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278812838 194164666 /nfs/dbraw/zinc/16/46/66/194164666.db2.gz YSZQWLXXJUHJDD-UHFFFAOYSA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000515483317 379223815 /nfs/dbraw/zinc/22/38/15/379223815.db2.gz KVZIDGCSMICWSH-LBPRGKRZSA-N 1 0 275.352 2.484 20 5 CEBDRO C[N@H+](CCCCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000278916322 194210313 /nfs/dbraw/zinc/21/03/13/194210313.db2.gz QYGZQVJJNSSJLA-UHFFFAOYSA-N 1 0 282.340 2.068 20 5 CEBDRO C[C@@H]1CN(CCSc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000516785737 379313695 /nfs/dbraw/zinc/31/36/95/379313695.db2.gz UOYKUMSLTUCJGG-PHIMTYICSA-N 1 0 297.380 2.191 20 5 CEBDRO Cc1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302788615 379450695 /nfs/dbraw/zinc/45/06/95/379450695.db2.gz XOMIXGFGDGHSGP-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CCOc1cc(N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302791542 379453942 /nfs/dbraw/zinc/45/39/42/379453942.db2.gz YMZHVCJOAFWNGK-UHFFFAOYSA-N 1 0 291.351 2.278 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000304314894 379552753 /nfs/dbraw/zinc/55/27/53/379552753.db2.gz KZGJKTNEQTZAMV-KGLIPLIRSA-N 1 0 264.325 2.236 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000266907886 190289476 /nfs/dbraw/zinc/28/94/76/190289476.db2.gz ILXMYFQWOPGQJS-LLVKDONJSA-N 1 0 293.367 2.227 20 5 CEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000266912030 190290188 /nfs/dbraw/zinc/29/01/88/190290188.db2.gz LQZMDHLMSVKVRL-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457024683 379631437 /nfs/dbraw/zinc/63/14/37/379631437.db2.gz HJFWXOHNGOWPFE-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000267093354 190302905 /nfs/dbraw/zinc/30/29/05/190302905.db2.gz QPXFBRVWHRXLEH-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2(F)CC2)cc1 ZINC000527227147 379737021 /nfs/dbraw/zinc/73/70/21/379737021.db2.gz KUOYEMRTTWMXRX-UHFFFAOYSA-N 1 0 254.261 2.065 20 5 CEBDRO Cc1cnc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889121 190360697 /nfs/dbraw/zinc/36/06/97/190360697.db2.gz RBYPPILHWSFJAU-MNOVXSKESA-N 1 0 276.340 2.335 20 5 CEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000268273796 190392084 /nfs/dbraw/zinc/39/20/84/190392084.db2.gz HWGMLPDDLQLKKO-SNVBAGLBSA-N 1 0 280.324 2.445 20 5 CEBDRO C[C@H]1CC[N@H+](CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000540802469 380256773 /nfs/dbraw/zinc/25/67/73/380256773.db2.gz GCWGXUGALAEKDL-JTQLQIEISA-N 1 0 269.370 2.088 20 5 CEBDRO Cc1nnc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000541688321 380277441 /nfs/dbraw/zinc/27/74/41/380277441.db2.gz QFMGPZJFGPHEHG-MRVPVSSYSA-N 1 0 262.269 2.137 20 5 CEBDRO C[NH+](C)C/C=C/C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000492061179 380434970 /nfs/dbraw/zinc/43/49/70/380434970.db2.gz YQGBVWIQUPHECC-AATRIKPKSA-N 1 0 291.351 2.064 20 5 CEBDRO CC(=O)c1cc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000288496107 197094861 /nfs/dbraw/zinc/09/48/61/197094861.db2.gz QAWFRVISMOTFLV-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)(C)C ZINC000289347352 197306134 /nfs/dbraw/zinc/30/61/34/197306134.db2.gz FTEZYHIYIDUXHP-AWEZNQCLSA-N 1 0 280.368 2.476 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000415438849 533021963 /nfs/dbraw/zinc/02/19/63/533021963.db2.gz QHXSTGMLDYYIKW-LBPRGKRZSA-N 1 0 292.339 2.119 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000061858092 285077022 /nfs/dbraw/zinc/07/70/22/285077022.db2.gz QAFJDGINWCWPTN-NSHDSACASA-N 1 0 279.315 2.408 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264645675 285166488 /nfs/dbraw/zinc/16/64/88/285166488.db2.gz WGXNTRSJSUYTSO-LBPRGKRZSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089589 285164119 /nfs/dbraw/zinc/16/41/19/285164119.db2.gz KESYHTMKSYQKFM-GFCCVEGCSA-N 1 0 261.325 2.269 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCc2c[nH+]ccc21 ZINC000288794166 197167372 /nfs/dbraw/zinc/16/73/72/197167372.db2.gz GCVQGPYGESGGBO-UHFFFAOYSA-N 1 0 273.296 2.209 20 5 CEBDRO CC1(C)C[NH2+]CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633702 184699712 /nfs/dbraw/zinc/69/97/12/184699712.db2.gz KZFUZCGUYVGDTF-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190917413 533260082 /nfs/dbraw/zinc/26/00/82/533260082.db2.gz BVVRYAHXYXXHSG-YPMHNXCESA-N 1 0 250.298 2.252 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414487258 533303525 /nfs/dbraw/zinc/30/35/25/533303525.db2.gz VEOXZVOWIJFHED-JTQLQIEISA-N 1 0 270.304 2.496 20 5 CEBDRO CCc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236965124 130992474 /nfs/dbraw/zinc/99/24/74/130992474.db2.gz WYTPIHSUYHJYHY-OAHLLOKOSA-N 1 0 293.367 2.260 20 5 CEBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1ccnc1 ZINC000237549664 131040760 /nfs/dbraw/zinc/04/07/60/131040760.db2.gz SXOAQRDDTYIGMA-GFCCVEGCSA-N 1 0 274.324 2.217 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000261576473 131153213 /nfs/dbraw/zinc/15/32/13/131153213.db2.gz CDYWXGUHNIJRLG-UHFFFAOYSA-N 1 0 283.353 2.048 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262818938 131264298 /nfs/dbraw/zinc/26/42/98/131264298.db2.gz GOMPRTMCYCJCCL-ZWNOBZJWSA-N 1 0 291.351 2.028 20 5 CEBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000084657611 135033884 /nfs/dbraw/zinc/03/38/84/135033884.db2.gz GAQVTOMFFCDPIO-UHFFFAOYSA-N 1 0 269.732 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2C[C@@H](O)C2)C2CC2)cc1 ZINC000420951198 394452701 /nfs/dbraw/zinc/45/27/01/394452701.db2.gz RZBDDMCJWYGVHB-JNSHFYNHSA-N 1 0 276.336 2.330 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957889 394454947 /nfs/dbraw/zinc/45/49/47/394454947.db2.gz BFQLTXXGOSJPJF-GFCCVEGCSA-N 1 0 278.356 2.340 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000224409996 394465936 /nfs/dbraw/zinc/46/59/36/394465936.db2.gz NSPJWJHDADKCSU-SNVBAGLBSA-N 1 0 252.339 2.438 20 5 CEBDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020017329 394470431 /nfs/dbraw/zinc/47/04/31/394470431.db2.gz AJPQLHKJXXIQPR-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000355736600 394516769 /nfs/dbraw/zinc/51/67/69/394516769.db2.gz FUFLYKUNLAUDCC-GRYCIOLGSA-N 1 0 266.345 2.158 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000355772032 394526552 /nfs/dbraw/zinc/52/65/52/394526552.db2.gz YJKMHDYJWZGNQZ-YPMHNXCESA-N 1 0 264.325 2.500 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000413433877 394550536 /nfs/dbraw/zinc/55/05/36/394550536.db2.gz FJBZQTZOENBYNQ-LBPRGKRZSA-N 1 0 295.387 2.263 20 5 CEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000414088684 394699542 /nfs/dbraw/zinc/69/95/42/394699542.db2.gz JKWXJOSRNWLTEN-NEPJUHHUSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC3(CC[NH2+]3)CC2)c(F)c1 ZINC000422564623 394712826 /nfs/dbraw/zinc/71/28/26/394712826.db2.gz WHORRPCULIYPMN-UHFFFAOYSA-N 1 0 279.315 2.062 20 5 CEBDRO Cc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272249940 394769167 /nfs/dbraw/zinc/76/91/67/394769167.db2.gz YBBGAANEJSETNB-SWLSCSKDSA-N 1 0 275.352 2.434 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CC[NH2+]C3)o2)c1 ZINC000414882910 394786483 /nfs/dbraw/zinc/78/64/83/394786483.db2.gz MZRYJUFUFYEUEN-GFCCVEGCSA-N 1 0 287.319 2.306 20 5 CEBDRO C[C@@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414942290 394814082 /nfs/dbraw/zinc/81/40/82/394814082.db2.gz JXSGOIIDYXHWHH-VIFPVBQESA-N 1 0 292.364 2.155 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000414959369 394825876 /nfs/dbraw/zinc/82/58/76/394825876.db2.gz SYTQQWBAWTTWHF-FZMZJTMJSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952799 394821730 /nfs/dbraw/zinc/82/17/30/394821730.db2.gz QZGDPOFYQMBXNU-MWLCHTKSSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422848297 394826554 /nfs/dbraw/zinc/82/65/54/394826554.db2.gz JMYHJIAUMKVIJC-LBPRGKRZSA-N 1 0 293.367 2.233 20 5 CEBDRO CCC[C@H](N[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359190 394899821 /nfs/dbraw/zinc/89/98/21/394899821.db2.gz CVOZLGBGILDBBE-GWCFXTLKSA-N 1 0 251.330 2.373 20 5 CEBDRO Cc1cc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000415421375 394930974 /nfs/dbraw/zinc/93/09/74/394930974.db2.gz UVMQPWMJKKQLTH-ZDUSSCGKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415444431 394932883 /nfs/dbraw/zinc/93/28/83/394932883.db2.gz VAPMZTRMGWTVJE-MNOVXSKESA-N 1 0 292.339 2.104 20 5 CEBDRO Nc1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000285998560 394997807 /nfs/dbraw/zinc/99/78/07/394997807.db2.gz DFCDAKODSFLUBX-UHFFFAOYSA-N 1 0 276.340 2.216 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153384609 395006263 /nfs/dbraw/zinc/00/62/63/395006263.db2.gz ZOYOBNYGTBZHIZ-AWEZNQCLSA-N 1 0 262.309 2.207 20 5 CEBDRO C[NH2+]C(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000286097640 395012000 /nfs/dbraw/zinc/01/20/00/395012000.db2.gz FAVZMEQGVKGMQM-UHFFFAOYSA-N 1 0 295.339 2.100 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000286263837 395018780 /nfs/dbraw/zinc/01/87/80/395018780.db2.gz DACSJRQRRRJHGI-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000286272641 395018843 /nfs/dbraw/zinc/01/88/43/395018843.db2.gz HLLLXDNSASWFDN-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CSC[C@H]1C ZINC000285885289 394979109 /nfs/dbraw/zinc/97/91/09/394979109.db2.gz JRGMQFJWKTTZMC-SKDRFNHKSA-N 1 0 282.365 2.445 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000163215759 395082443 /nfs/dbraw/zinc/08/24/43/395082443.db2.gz UNMPYLKTFWLCNF-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000346658858 395103087 /nfs/dbraw/zinc/10/30/87/395103087.db2.gz QBPBYNIVGLFAKX-UHFFFAOYSA-N 1 0 286.335 2.285 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423976986 395040009 /nfs/dbraw/zinc/04/00/09/395040009.db2.gz HLINTSQVYOUZFK-CYBMUJFWSA-N 1 0 293.367 2.315 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000430623490 395165129 /nfs/dbraw/zinc/16/51/29/395165129.db2.gz GXHSSCFCRWXUCK-SWLSCSKDSA-N 1 0 293.367 2.175 20 5 CEBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+](C)C ZINC000291812742 395166720 /nfs/dbraw/zinc/16/67/20/395166720.db2.gz KGGYLWJOWWAQAV-SECBINFHSA-N 1 0 277.328 2.081 20 5 CEBDRO Cc1c(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420371768 395359204 /nfs/dbraw/zinc/35/92/04/395359204.db2.gz PRDOZRSADNQHGF-IFUGULHKSA-N 1 0 277.368 2.379 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000192674224 395389786 /nfs/dbraw/zinc/38/97/86/395389786.db2.gz NXWYAMJDRZXIHZ-GXSJLCMTSA-N 1 0 293.371 2.157 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000192674241 395389915 /nfs/dbraw/zinc/38/99/15/395389915.db2.gz NXWYAMJDRZXIHZ-ONGXEEELSA-N 1 0 293.371 2.157 20 5 CEBDRO CN(C)C(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192791603 395393139 /nfs/dbraw/zinc/39/31/39/395393139.db2.gz NGNDHVAOUNIUMU-AWEZNQCLSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515407 395400672 /nfs/dbraw/zinc/40/06/72/395400672.db2.gz KDBFWNYCIILTJB-AOOOYVTPSA-N 1 0 284.385 2.148 20 5 CEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000566305287 395511492 /nfs/dbraw/zinc/51/14/92/395511492.db2.gz WMCOEHJJLGVNLO-BXUZGUMPSA-N 1 0 296.367 2.490 20 5 CEBDRO COCC1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474389 395529145 /nfs/dbraw/zinc/52/91/45/395529145.db2.gz HESLPVRJAYWXJZ-LBPRGKRZSA-N 1 0 262.309 2.351 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449465499 395549497 /nfs/dbraw/zinc/54/94/97/395549497.db2.gz DKQLKAZKSJZGGO-ZDUSSCGKSA-N 1 0 286.278 2.105 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[NH+]1CCC1 ZINC000568648141 395565107 /nfs/dbraw/zinc/56/51/07/395565107.db2.gz UJABAYGGMADFRW-UHFFFAOYSA-N 1 0 293.367 2.179 20 5 CEBDRO Cc1c(CN2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000572827043 395588941 /nfs/dbraw/zinc/58/89/41/395588941.db2.gz REITWTRUGHRLNC-MRXNPFEDSA-N 1 0 289.379 2.479 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000493710059 395671630 /nfs/dbraw/zinc/67/16/30/395671630.db2.gz RTNHERNHZZZONK-HUUCEWRRSA-N 1 0 294.351 2.114 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293220456 400322522 /nfs/dbraw/zinc/32/25/22/400322522.db2.gz GSVPZNURISDAQS-ZDUSSCGKSA-N 1 0 266.341 2.436 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000218901545 400309236 /nfs/dbraw/zinc/30/92/36/400309236.db2.gz MYKOYTNTPKOVRJ-CYZMBNFOSA-N 1 0 291.351 2.290 20 5 CEBDRO COc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000163843115 286308138 /nfs/dbraw/zinc/30/81/38/286308138.db2.gz YQWNWUMIRDLTGV-AAEUAGOBSA-N 1 0 293.367 2.020 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000195527272 153292045 /nfs/dbraw/zinc/29/20/45/153292045.db2.gz KJMAIVJVFFKDGF-UHFFFAOYSA-N 1 0 295.339 2.272 20 5 CEBDRO COc1cc(NCC[N@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000218852516 153301970 /nfs/dbraw/zinc/30/19/70/153301970.db2.gz KNVGPZIAEPGQNV-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226881632 153337522 /nfs/dbraw/zinc/33/75/22/153337522.db2.gz HZUJLQVVYNSADH-ONGXEEELSA-N 1 0 281.360 2.014 20 5 CEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230145838 153381929 /nfs/dbraw/zinc/38/19/29/153381929.db2.gz CLXBXBCRIRKVIJ-UHFFFAOYSA-N 1 0 299.758 2.110 20 5 CEBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230153269 153386063 /nfs/dbraw/zinc/38/60/63/153386063.db2.gz VIOCJEWEBOXERW-HZMBPMFUSA-N 1 0 280.324 2.261 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315891 153388397 /nfs/dbraw/zinc/38/83/97/153388397.db2.gz GYPPYWURVIBLIC-SWLSCSKDSA-N 1 0 292.335 2.261 20 5 CEBDRO CC(C)[C@@H]([NH3+])CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232710024 153415305 /nfs/dbraw/zinc/41/53/05/153415305.db2.gz BHZJHRUIZCUKMJ-ZETCQYMHSA-N 1 0 292.261 2.404 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000262059426 153908397 /nfs/dbraw/zinc/90/83/97/153908397.db2.gz RBAKTLLAGPORSN-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000367098031 156128807 /nfs/dbraw/zinc/12/88/07/156128807.db2.gz DNTFHTFVVFQINR-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCC3)CC2)n1 ZINC000368603006 156374212 /nfs/dbraw/zinc/37/42/12/156374212.db2.gz LVLWBLOPXILIKS-UHFFFAOYSA-N 1 0 264.329 2.057 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000375017931 157040000 /nfs/dbraw/zinc/04/00/00/157040000.db2.gz ICNMTZISKPSICQ-CJNGLKHVSA-N 1 0 289.379 2.429 20 5 CEBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160355110 286675720 /nfs/dbraw/zinc/67/57/20/286675720.db2.gz BTHIGCUNEXGWRO-CMPLNLGQSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174871469 165117927 /nfs/dbraw/zinc/11/79/27/165117927.db2.gz JVRPUBVUXVOONR-LBPRGKRZSA-N 1 0 266.345 2.446 20 5 CEBDRO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000035274493 172093948 /nfs/dbraw/zinc/09/39/48/172093948.db2.gz KTGQDGLONOXXDJ-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120553 196201342 /nfs/dbraw/zinc/20/13/42/196201342.db2.gz KZYYIXKZJJKRIC-COPLHBTASA-N 1 0 293.367 2.379 20 5 CEBDRO O=Cc1cc([N+](=O)[O-])ccc1OCC[NH+]1CCCCC1 ZINC000035412702 172184752 /nfs/dbraw/zinc/18/47/52/172184752.db2.gz UGIXYARUCDJQSK-UHFFFAOYSA-N 1 0 278.308 2.272 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338435 196254252 /nfs/dbraw/zinc/25/42/52/196254252.db2.gz URMGKHKYQXZCMA-GUBZILKMSA-N 1 0 267.329 2.251 20 5 CEBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000285662523 196358934 /nfs/dbraw/zinc/35/89/34/196358934.db2.gz ZCHZVSFDVBQDFU-AAEUAGOBSA-N 1 0 264.325 2.357 20 5 CEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454411 174267151 /nfs/dbraw/zinc/26/71/51/174267151.db2.gz BIQLSULUMGNHGD-NSHDSACASA-N 1 0 281.360 2.307 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000040676089 174373876 /nfs/dbraw/zinc/37/38/76/174373876.db2.gz LYRSCJRQBIZUDF-KBPBESRZSA-N 1 0 264.325 2.030 20 5 CEBDRO Nc1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000286183609 196518962 /nfs/dbraw/zinc/51/89/62/196518962.db2.gz DQKLGNLBWGSDKL-UHFFFAOYSA-N 1 0 290.367 2.463 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604229554 414821655 /nfs/dbraw/zinc/82/16/55/414821655.db2.gz UKEMDJKVZOAMGD-LLVKDONJSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH3+])C1 ZINC000044527975 175192692 /nfs/dbraw/zinc/19/26/92/175192692.db2.gz PYQSDVHICXZYPW-VXGBXAGGSA-N 1 0 263.341 2.327 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH3+])C1 ZINC000044527720 175192818 /nfs/dbraw/zinc/19/28/18/175192818.db2.gz AKJHOQJTLMCUTG-NWDGAFQWSA-N 1 0 263.341 2.327 20 5 CEBDRO COCCOCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044693927 175234579 /nfs/dbraw/zinc/23/45/79/175234579.db2.gz DMYDRGIVMXGESS-LBPRGKRZSA-N 1 0 282.340 2.217 20 5 CEBDRO CCOC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000044723756 175237480 /nfs/dbraw/zinc/23/74/80/175237480.db2.gz SZKIISRWMIDPED-LLVKDONJSA-N 1 0 252.314 2.152 20 5 CEBDRO CC(C)[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044986009 175284758 /nfs/dbraw/zinc/28/47/58/175284758.db2.gz PSCBOLNHNBMWTC-UHFFFAOYSA-N 1 0 297.380 2.259 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCC[NH+](C)C ZINC000072261741 176351550 /nfs/dbraw/zinc/35/15/50/176351550.db2.gz IRPJHERUVVFSSQ-UHFFFAOYSA-N 1 0 297.380 2.137 20 5 CEBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000077111506 177225428 /nfs/dbraw/zinc/22/54/28/177225428.db2.gz RZFSPSDDBKMSKE-ZDUSSCGKSA-N 1 0 252.314 2.154 20 5 CEBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000077357972 177257046 /nfs/dbraw/zinc/25/70/46/177257046.db2.gz LVWREVFCKYUJLB-UHFFFAOYSA-N 1 0 291.351 2.457 20 5 CEBDRO COCC[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000566574680 299005528 /nfs/dbraw/zinc/00/55/28/299005528.db2.gz IIDIMGLKAUVQJA-LLVKDONJSA-N 1 0 264.325 2.378 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000417848377 226667941 /nfs/dbraw/zinc/66/79/41/226667941.db2.gz KRHRLWVIWBYTAM-SNVBAGLBSA-N 1 0 294.355 2.001 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352707362 227175811 /nfs/dbraw/zinc/17/58/11/227175811.db2.gz ADPGKJFAEYUYBS-ZDUSSCGKSA-N 1 0 282.315 2.375 20 5 CEBDRO COc1ccc(C[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000221403063 419465921 /nfs/dbraw/zinc/46/59/21/419465921.db2.gz YUXYMTMAGGMGQD-UHFFFAOYSA-N 1 0 296.367 2.492 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396928172 270350463 /nfs/dbraw/zinc/35/04/63/270350463.db2.gz NJPXFWNLTLVYQK-LLVKDONJSA-N 1 0 250.298 2.252 20 5 CEBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000194083567 270293070 /nfs/dbraw/zinc/29/30/70/270293070.db2.gz SOKQMOVMOMYUNG-ZDUSSCGKSA-N 1 0 282.340 2.065 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCO)CCC2 ZINC000194212599 270294120 /nfs/dbraw/zinc/29/41/20/270294120.db2.gz LUKHDZKZYWKQKP-CQSZACIVSA-N 1 0 264.325 2.334 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162227 270332728 /nfs/dbraw/zinc/33/27/28/270332728.db2.gz FZGRUZYYAUQXEI-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227195 270352258 /nfs/dbraw/zinc/35/22/58/270352258.db2.gz CPEKQQRLNHPHMG-MBNYWOFBSA-N 1 0 277.368 2.400 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000422766785 270759026 /nfs/dbraw/zinc/75/90/26/270759026.db2.gz XRIQUVUEAKYNGW-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000424318139 271043868 /nfs/dbraw/zinc/04/38/68/271043868.db2.gz CNYNNQKREPBTLA-MGPQQGTHSA-N 1 0 276.336 2.430 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425551619 271168661 /nfs/dbraw/zinc/16/86/61/271168661.db2.gz QNFFAVOFDOOUOI-PWSUYJOCSA-N 1 0 287.323 2.263 20 5 CEBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000428445604 271266877 /nfs/dbraw/zinc/26/68/77/271266877.db2.gz GTXFFSWOOGCKNW-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430224640 271364320 /nfs/dbraw/zinc/36/43/20/271364320.db2.gz WDCXHQBHUZTELN-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NCc1c(F)cccc1[N+](=O)[O-] ZINC000430575118 271392749 /nfs/dbraw/zinc/39/27/49/271392749.db2.gz JVGDACDOYGPGPJ-ZDUSSCGKSA-N 1 0 269.320 2.197 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000097934143 273791863 /nfs/dbraw/zinc/79/18/63/273791863.db2.gz KYJFYVZTAODVFZ-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 ZINC000266388313 274118295 /nfs/dbraw/zinc/11/82/95/274118295.db2.gz NRBZXHGIVJBJCO-UHFFFAOYSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@@H](CC(N)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316232 274207861 /nfs/dbraw/zinc/20/78/61/274207861.db2.gz UCNDRQGULFUBOM-HZMBPMFUSA-N 1 0 291.351 2.216 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000076117720 274293368 /nfs/dbraw/zinc/29/33/68/274293368.db2.gz HPEZDCQMAXPQLM-SNVBAGLBSA-N 1 0 278.308 2.446 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351929091 274352954 /nfs/dbraw/zinc/35/29/54/274352954.db2.gz XEQNQIWSLNUGHY-GHMZBOCLSA-N 1 0 281.331 2.258 20 5 CEBDRO Cn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192721025 274892416 /nfs/dbraw/zinc/89/24/16/274892416.db2.gz PUGIUDIMMXKKFK-OAHLLOKOSA-N 1 0 286.335 2.496 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000127409665 275603022 /nfs/dbraw/zinc/60/30/22/275603022.db2.gz JBVOGTLEDPWOJC-CQSZACIVSA-N 1 0 297.330 2.227 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000341695554 276103849 /nfs/dbraw/zinc/10/38/49/276103849.db2.gz IWITZTYENVFAIC-SECBINFHSA-N 1 0 299.396 2.425 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000114486849 276349738 /nfs/dbraw/zinc/34/97/38/276349738.db2.gz XXEFTHQKZDZENE-UHFFFAOYSA-N 1 0 282.340 2.066 20 5 CEBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000348482411 276512705 /nfs/dbraw/zinc/51/27/05/276512705.db2.gz VZGPVMCKISZANP-KOLCDFICSA-N 1 0 284.385 2.092 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344603029 276573637 /nfs/dbraw/zinc/57/36/37/276573637.db2.gz JPNBYEPKCLNXDI-WCQYABFASA-N 1 0 266.341 2.482 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1cc(N)ccc1[N+](=O)[O-])CC2 ZINC000375699597 277042170 /nfs/dbraw/zinc/04/21/70/277042170.db2.gz YQPDITMMLZIMQU-UHFFFAOYSA-N 1 0 290.367 2.242 20 5 CEBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293594366 277544572 /nfs/dbraw/zinc/54/45/72/277544572.db2.gz FQPDBFRNUZWCKM-NXEZZACHSA-N 1 0 267.329 2.253 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000232872257 278222443 /nfs/dbraw/zinc/22/24/43/278222443.db2.gz FVCJXHHXYDCJNN-CYBMUJFWSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000182069509 278283035 /nfs/dbraw/zinc/28/30/35/278283035.db2.gz WFJLADVDPHVDLQ-CYBMUJFWSA-N 1 0 288.351 2.260 20 5 CEBDRO C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070175700 279670583 /nfs/dbraw/zinc/67/05/83/279670583.db2.gz VKRQCCQCUNLTOL-SMDDNHRTSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321108 280060382 /nfs/dbraw/zinc/06/03/82/280060382.db2.gz ZLDUMZZZAXAEEV-RYUDHWBXSA-N 1 0 264.325 2.188 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000088147733 281007986 /nfs/dbraw/zinc/00/79/86/281007986.db2.gz GEKNORZECGPTOO-AAEUAGOBSA-N 1 0 291.351 2.245 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000292680604 281014178 /nfs/dbraw/zinc/01/41/78/281014178.db2.gz DPJWNJMOOHNVAJ-OAHLLOKOSA-N 1 0 290.367 2.220 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424147142 281122435 /nfs/dbraw/zinc/12/24/35/281122435.db2.gz XSTFSJZCQKVUAW-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO CC(C)([NH2+]CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000429246085 281230510 /nfs/dbraw/zinc/23/05/10/281230510.db2.gz QOGUSPJXDPLSLU-UHFFFAOYSA-N 1 0 264.325 2.456 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462437 281239011 /nfs/dbraw/zinc/23/90/11/281239011.db2.gz BGRHWAZNKFLRSZ-PSASIEDQSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000292074217 281258636 /nfs/dbraw/zinc/25/86/36/281258636.db2.gz LRNNNRGLHWRGCQ-GFCCVEGCSA-N 1 0 293.367 2.362 20 5 CEBDRO CCc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000131158103 281394902 /nfs/dbraw/zinc/39/49/02/281394902.db2.gz NKYYSTJCIQAQJS-ZDUSSCGKSA-N 1 0 291.351 2.111 20 5 CEBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000311923326 289280713 /nfs/dbraw/zinc/28/07/13/289280713.db2.gz BZNGDDHIDMJHFE-CQSZACIVSA-N 1 0 261.325 2.093 20 5 CEBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000459614892 290195356 /nfs/dbraw/zinc/19/53/56/290195356.db2.gz OLBNGWCORMQPNO-WCQYABFASA-N 1 0 266.345 2.350 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(C2CCC2)CCC1 ZINC000459772506 290234752 /nfs/dbraw/zinc/23/47/52/290234752.db2.gz OIMAWUJBUWNSBF-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471799242 290284302 /nfs/dbraw/zinc/28/43/02/290284302.db2.gz QDDPQYQSOXKDPD-DMBZQDCGSA-N 1 0 262.309 2.063 20 5 CEBDRO C[C@H]1C[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343586 290391386 /nfs/dbraw/zinc/39/13/86/290391386.db2.gz GCUGQPXMFIGSHM-STQMWFEESA-N 1 0 275.352 2.373 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000089090780 295270709 /nfs/dbraw/zinc/27/07/09/295270709.db2.gz GOBJSZVRZOKINL-KCJUWKMLSA-N 1 0 297.742 2.105 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160354983 295623517 /nfs/dbraw/zinc/62/35/17/295623517.db2.gz BTHIGCUNEXGWRO-PWSUYJOCSA-N 1 0 284.381 2.359 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NC(C)C ZINC000536883180 298206839 /nfs/dbraw/zinc/20/68/39/298206839.db2.gz RNCYOKPAINXMRK-LBPRGKRZSA-N 1 0 293.367 2.469 20 5 CEBDRO COc1cc(C[NH+]2CCC(CCO)CC2)ccc1[N+](=O)[O-] ZINC000537609385 298215427 /nfs/dbraw/zinc/21/54/27/298215427.db2.gz SPUUJFRNXJPZRA-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000542523542 298291475 /nfs/dbraw/zinc/29/14/75/298291475.db2.gz GFZJVZRPKWOJKM-CQSZACIVSA-N 1 0 282.340 2.234 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000516173660 313083076 /nfs/dbraw/zinc/08/30/76/313083076.db2.gz VFTHZOXZZRDKNO-LBPRGKRZSA-N 1 0 275.352 2.484 20 5 CEBDRO CCO[C@@H]1C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000571368711 314085521 /nfs/dbraw/zinc/08/55/21/314085521.db2.gz XTUHJKPFQXQZEG-RCOIXESOSA-N 1 0 262.309 2.375 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000383797385 321849426 /nfs/dbraw/zinc/84/94/26/321849426.db2.gz YAXJBHGPKKNPGJ-SMDDNHRTSA-N 1 0 282.315 2.375 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000355772029 533924570 /nfs/dbraw/zinc/92/45/70/533924570.db2.gz YJKMHDYJWZGNQZ-AAEUAGOBSA-N 1 0 264.325 2.500 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183700479 518955749 /nfs/dbraw/zinc/95/57/49/518955749.db2.gz YOUKPXZUVNNTKV-KGLIPLIRSA-N 1 0 296.367 2.015 20 5 CEBDRO COC[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045696089 522579692 /nfs/dbraw/zinc/57/96/92/522579692.db2.gz MBPXDCCIKZXQRY-LLVKDONJSA-N 1 0 252.314 2.009 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280519 522736270 /nfs/dbraw/zinc/73/62/70/522736270.db2.gz QWWYPBBVKYGGTC-KRDDEPHXSA-N 1 0 284.381 2.403 20 5 CEBDRO COCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152098807 523961872 /nfs/dbraw/zinc/96/18/72/523961872.db2.gz MATWXHRSKAISEV-CYBMUJFWSA-N 1 0 264.325 2.152 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063191969 524841521 /nfs/dbraw/zinc/84/15/21/524841521.db2.gz RRLCLVSPXKEXSC-ONGXEEELSA-N 1 0 269.370 2.358 20 5 CEBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000415491752 534846944 /nfs/dbraw/zinc/84/69/44/534846944.db2.gz BIMUMXPGDXRKJR-NSHDSACASA-N 1 0 292.339 2.249 20 5 CEBDRO Cc1ccc(OCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000061701615 525400785 /nfs/dbraw/zinc/40/07/85/525400785.db2.gz WMVVZODRSAYHEN-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000183320431 525562774 /nfs/dbraw/zinc/56/27/74/525562774.db2.gz BIRFXJHVHWDLJS-OAHLLOKOSA-N 1 0 277.368 2.429 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000183252170 525564020 /nfs/dbraw/zinc/56/40/20/525564020.db2.gz RNFOMBZGDIYDJU-UHFFFAOYSA-N 1 0 292.335 2.242 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)C[NH+](C)C ZINC000052812193 525576683 /nfs/dbraw/zinc/57/66/83/525576683.db2.gz YMBYPYUZHDGTOZ-UHFFFAOYSA-N 1 0 266.345 2.298 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[NH2+]CC1 ZINC000050442781 527332820 /nfs/dbraw/zinc/33/28/20/527332820.db2.gz LJDWXGZUKJCOLT-UHFFFAOYSA-N 1 0 269.732 2.044 20 5 CEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCCF)C2)c1 ZINC000367513188 527415318 /nfs/dbraw/zinc/41/53/18/527415318.db2.gz JREBVMJNVYGYRM-LLVKDONJSA-N 1 0 270.308 2.178 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000174647906 527975731 /nfs/dbraw/zinc/97/57/31/527975731.db2.gz IRNGXNDONXHSOL-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000125208835 649871370 /nfs/dbraw/zinc/87/13/70/649871370.db2.gz MVHMDLZDKSRXNY-LBPRGKRZSA-N 1 0 276.340 2.194 20 5 CEBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000125224876 649874867 /nfs/dbraw/zinc/87/48/67/649874867.db2.gz MVKHILJMPMOTAI-LBPRGKRZSA-N 1 0 292.364 2.339 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761079364 574518538 /nfs/dbraw/zinc/51/85/38/574518538.db2.gz QSTIKJDZPZMIHY-NWDGAFQWSA-N 1 0 263.341 2.292 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733166504 574646844 /nfs/dbraw/zinc/64/68/44/574646844.db2.gz QXBBWZSIDYBHBF-ZDUSSCGKSA-N 1 0 297.330 2.050 20 5 CEBDRO COC1CCC([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000734476941 574716193 /nfs/dbraw/zinc/71/61/93/574716193.db2.gz JOLKIRPYGARKPH-UHFFFAOYSA-N 1 0 296.371 2.255 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268996 567924177 /nfs/dbraw/zinc/92/41/77/567924177.db2.gz AZXKKJXZEHVNGI-KGLIPLIRSA-N 1 0 276.336 2.418 20 5 CEBDRO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740004264 574938740 /nfs/dbraw/zinc/93/87/40/574938740.db2.gz MEZZTYRKUSKYDK-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000740860799 574969885 /nfs/dbraw/zinc/96/98/85/574969885.db2.gz INPWSUCNRIQAJH-DTWKUNHWSA-N 1 0 252.318 2.096 20 5 CEBDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000742377607 575018421 /nfs/dbraw/zinc/01/84/21/575018421.db2.gz WHYKXFKUNUKHLR-GFCCVEGCSA-N 1 0 282.340 2.044 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccsc2)c1 ZINC000749677553 575229218 /nfs/dbraw/zinc/22/92/18/575229218.db2.gz PCCSNBCCZOKEBL-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000235447596 625566561 /nfs/dbraw/zinc/56/65/61/625566561.db2.gz NXAMTIWLQZOUON-TVQRCGJNSA-N 1 0 268.288 2.391 20 5 CEBDRO CC[N@H+](CCC(=O)NC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000933869133 624060319 /nfs/dbraw/zinc/06/03/19/624060319.db2.gz NSEJZJFQURYTDS-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000022815015 624230251 /nfs/dbraw/zinc/23/02/51/624230251.db2.gz LATMAJBYYKDENT-UHFFFAOYSA-N 1 0 280.284 2.011 20 5 CEBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479549 624777390 /nfs/dbraw/zinc/77/73/90/624777390.db2.gz IOWNBVJTIPUBQC-VXGBXAGGSA-N 1 0 282.340 2.297 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000892572565 627281921 /nfs/dbraw/zinc/28/19/21/627281921.db2.gz ZNFFWLMDJKNISG-WCBMZHEXSA-N 1 0 266.297 2.055 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000892572560 627282064 /nfs/dbraw/zinc/28/20/64/627282064.db2.gz ZNFFWLMDJKNISG-PSASIEDQSA-N 1 0 266.297 2.055 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000744351627 627303256 /nfs/dbraw/zinc/30/32/56/627303256.db2.gz VWMMGWZTLZDQTE-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000311659212 627686912 /nfs/dbraw/zinc/68/69/12/627686912.db2.gz JQFUICXGTKASLJ-GFCCVEGCSA-N 1 0 268.288 2.081 20 5 CEBDRO [NH3+]C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000902404919 634640503 /nfs/dbraw/zinc/64/05/03/634640503.db2.gz HAOXBURKYCQARC-ZDUSSCGKSA-N 1 0 261.325 2.053 20 5 CEBDRO C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430687 634652646 /nfs/dbraw/zinc/65/26/46/634652646.db2.gz QBUPBRDTKZRBHU-FZMZJTMJSA-N 1 0 277.368 2.428 20 5 CEBDRO Cc1ccncc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162751810 628518824 /nfs/dbraw/zinc/51/88/24/628518824.db2.gz ZEEPYCPEDLPUAW-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313467759 628603474 /nfs/dbraw/zinc/60/34/74/628603474.db2.gz DVFUXNVARVAEPM-MFKMUULPSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000925788215 628828628 /nfs/dbraw/zinc/82/86/28/628828628.db2.gz ZCPHSHRSLOACAZ-LERXQTSPSA-N 1 0 263.341 2.243 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000893906290 629036898 /nfs/dbraw/zinc/03/68/98/629036898.db2.gz XHOBLECDBRLWKM-JTQLQIEISA-N 1 0 282.344 2.139 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc[nH]2)cc1 ZINC000894316700 629347697 /nfs/dbraw/zinc/34/76/97/629347697.db2.gz XUQWAKLCCYUSDI-UHFFFAOYSA-N 1 0 274.324 2.430 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000794949049 629369339 /nfs/dbraw/zinc/36/93/39/629369339.db2.gz NWRIKRLSOPZELR-YGRLFVJLSA-N 1 0 295.770 2.384 20 5 CEBDRO CC(C)c1ccc(C[NH2+]C[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894870841 629708164 /nfs/dbraw/zinc/70/81/64/629708164.db2.gz NVJPTBUGFUEPIF-LBPRGKRZSA-N 1 0 280.324 2.181 20 5 CEBDRO CC(C)[NH+]1CCC(CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000894972746 629770801 /nfs/dbraw/zinc/77/08/01/629770801.db2.gz FCUMCPIJAGDFER-UHFFFAOYSA-N 1 0 295.387 2.251 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125049 629928780 /nfs/dbraw/zinc/92/87/80/629928780.db2.gz OFIPJWRHJZFRRQ-WCBMZHEXSA-N 1 0 298.364 2.293 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895581016 630264386 /nfs/dbraw/zinc/26/43/86/630264386.db2.gz KESTUICYJQAJGW-UHFFFAOYSA-N 1 0 293.367 2.283 20 5 CEBDRO CCO[C@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000896108854 630472378 /nfs/dbraw/zinc/47/23/78/630472378.db2.gz IRULIZRWSYBCJR-LLVKDONJSA-N 1 0 285.319 2.113 20 5 CEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799370905 631021635 /nfs/dbraw/zinc/02/16/35/631021635.db2.gz ALSVEIKDTPPEBR-ZNMIVQPWSA-N 1 0 294.351 2.175 20 5 CEBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000089107717 631168748 /nfs/dbraw/zinc/16/87/48/631168748.db2.gz XAXAVXIZBIVMCN-GWCFXTLKSA-N 1 0 292.339 2.234 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000801546122 631286705 /nfs/dbraw/zinc/28/67/05/631286705.db2.gz IDGDAVMSRPWHOB-KOLCDFICSA-N 1 0 296.298 2.117 20 5 CEBDRO CCC(CC)(CCO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801587360 631293352 /nfs/dbraw/zinc/29/33/52/631293352.db2.gz MLBVCCMFPPFBMY-AWEZNQCLSA-N 1 0 296.367 2.159 20 5 CEBDRO COCCOC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460583 631530951 /nfs/dbraw/zinc/53/09/51/631530951.db2.gz UQZNWQBPMGPAPC-QWHCGFSZSA-N 1 0 296.367 2.339 20 5 CEBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000904449121 635640965 /nfs/dbraw/zinc/64/09/65/635640965.db2.gz FBQZJPGIXNLKRD-UHFFFAOYSA-N 1 0 287.319 2.436 20 5 CEBDRO CC[NH+](CC)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804316398 631662497 /nfs/dbraw/zinc/66/24/97/631662497.db2.gz VVVODBSSQBCQPQ-UHFFFAOYSA-N 1 0 282.300 2.257 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C3(O)CCC3)CC2)cs1 ZINC000897530224 631670675 /nfs/dbraw/zinc/67/06/75/631670675.db2.gz CGMRNHOPJHKGSO-UHFFFAOYSA-N 1 0 282.365 2.441 20 5 CEBDRO CC[NH+]1CCC(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804371543 631670939 /nfs/dbraw/zinc/67/09/39/631670939.db2.gz FZHPJLYUEGTEIV-UHFFFAOYSA-N 1 0 278.356 2.321 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H](O)C1CC1 ZINC000898199284 632112518 /nfs/dbraw/zinc/11/25/18/632112518.db2.gz KQNALDXFETYQPN-UKRRQHHQSA-N 1 0 276.336 2.333 20 5 CEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000322491699 632213684 /nfs/dbraw/zinc/21/36/84/632213684.db2.gz OWDXEVQFIBCCBB-MGCOHNPYSA-N 1 0 297.742 2.248 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000898385017 632477145 /nfs/dbraw/zinc/47/71/45/632477145.db2.gz BICJOWCTFKFBSI-UONOGXRCSA-N 1 0 262.309 2.109 20 5 CEBDRO CCCOc1ccc(C[NH2+]CC[N+](=O)[O-])c(C)c1 ZINC000905227586 635872600 /nfs/dbraw/zinc/87/26/00/635872600.db2.gz BTMIJWULRWGHSG-UHFFFAOYSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578269 633033261 /nfs/dbraw/zinc/03/32/61/633033261.db2.gz LFYHBMVDABHJDU-NWDGAFQWSA-N 1 0 292.383 2.169 20 5 CEBDRO COC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815614108 633037576 /nfs/dbraw/zinc/03/75/76/633037576.db2.gz GFXBNVHDASPTQW-SNVBAGLBSA-N 1 0 279.340 2.397 20 5 CEBDRO C[NH+](C)C1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000817125688 633588875 /nfs/dbraw/zinc/58/88/75/633588875.db2.gz UEKKPXHXLLCQQW-UHFFFAOYSA-N 1 0 278.356 2.462 20 5 CEBDRO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981235 633825324 /nfs/dbraw/zinc/82/53/24/633825324.db2.gz HSALWHQADPTNMD-YGRLFVJLSA-N 1 0 292.383 2.345 20 5 CEBDRO COCCCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984500 634029246 /nfs/dbraw/zinc/02/92/46/634029246.db2.gz ABVPOAZWHBVEOT-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000819091526 634064846 /nfs/dbraw/zinc/06/48/46/634064846.db2.gz HEUDHKKVVWGDHC-OAHLLOKOSA-N 1 0 278.352 2.278 20 5 CEBDRO CC1(C)CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819247925 634115935 /nfs/dbraw/zinc/11/59/35/634115935.db2.gz RROXNFCHLDQEQX-ZIAGYGMSSA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000819314369 634136754 /nfs/dbraw/zinc/13/67/54/634136754.db2.gz YURAFQZOVGVLDM-FZMZJTMJSA-N 1 0 296.392 2.361 20 5 CEBDRO CC/C=C/C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344785 634147698 /nfs/dbraw/zinc/14/76/98/634147698.db2.gz NRYADSVLYLSRTQ-OOPCZODUSA-N 1 0 250.298 2.184 20 5 CEBDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819364490 634156812 /nfs/dbraw/zinc/15/68/12/634156812.db2.gz UAEZNNMVCGYMLP-BFHYXJOUSA-N 1 0 264.325 2.262 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903098993 634968596 /nfs/dbraw/zinc/96/85/96/634968596.db2.gz WUUDGONYQFPKRQ-VHSXEESVSA-N 1 0 268.313 2.025 20 5 CEBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903092075 634974133 /nfs/dbraw/zinc/97/41/33/634974133.db2.gz GVYSLDDYKCALIW-IINYFYTJSA-N 1 0 282.340 2.415 20 5 CEBDRO CON1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000903244811 635025837 /nfs/dbraw/zinc/02/58/37/635025837.db2.gz DPGYGPHPYBWHHC-LBPRGKRZSA-N 1 0 293.367 2.314 20 5 CEBDRO COC1(OC)CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245665 635026800 /nfs/dbraw/zinc/02/68/00/635026800.db2.gz NIFVOLXMXCXXCP-RISCZKNCSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000903299111 635046365 /nfs/dbraw/zinc/04/63/65/635046365.db2.gz FCLYXYYNAMUKHX-RBSFLKMASA-N 1 0 294.351 2.439 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C(CF)CF)CC2)cc1 ZINC000824554650 635450116 /nfs/dbraw/zinc/45/01/16/635450116.db2.gz JOWMJFZKUWEIEM-UHFFFAOYSA-N 1 0 299.321 2.461 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000824898254 635520448 /nfs/dbraw/zinc/52/04/48/635520448.db2.gz KKHRLXDUESTQEL-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000825640270 635682765 /nfs/dbraw/zinc/68/27/65/635682765.db2.gz BGUBVIDAAJTSFO-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(C3=CCC[NH2+]CC3)n2)s1 ZINC000904690090 635700459 /nfs/dbraw/zinc/70/04/59/635700459.db2.gz PREZUDDVFZYEOS-UHFFFAOYSA-N 1 0 292.320 2.473 20 5 CEBDRO C[C@@H](N[C@@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000924800572 635708484 /nfs/dbraw/zinc/70/84/84/635708484.db2.gz YXMWPIKEYWAGRT-ZJUUUORDSA-N 1 0 275.312 2.135 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000905215880 636164052 /nfs/dbraw/zinc/16/40/52/636164052.db2.gz AWGRHCJHTYTEQA-JTQLQIEISA-N 1 0 262.231 2.199 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000905244631 636169745 /nfs/dbraw/zinc/16/97/45/636169745.db2.gz QUNURGNEPPNZDG-GMSGAONNSA-N 1 0 258.680 2.201 20 5 CEBDRO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905589031 636343155 /nfs/dbraw/zinc/34/31/55/636343155.db2.gz MYPWBCQVYZDMJC-LSDHHAIUSA-N 1 0 294.351 2.177 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905642235 636378851 /nfs/dbraw/zinc/37/88/51/636378851.db2.gz GBAVBDHNKGLDMD-QWHCGFSZSA-N 1 0 296.367 2.074 20 5 CEBDRO CC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905643933 636379264 /nfs/dbraw/zinc/37/92/64/636379264.db2.gz OPFWVPSEVCFHKS-QWRGUYRKSA-N 1 0 252.314 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)cn1 ZINC000906170784 636633017 /nfs/dbraw/zinc/63/30/17/636633017.db2.gz JOGFYUOLVVXGGH-GFCCVEGCSA-N 1 0 285.307 2.261 20 5 CEBDRO [NH3+]C1CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000906510168 636760149 /nfs/dbraw/zinc/76/01/49/636760149.db2.gz PCVPTNMSRDXPIT-UHFFFAOYSA-N 1 0 287.319 2.434 20 5 CEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000876504533 650293411 /nfs/dbraw/zinc/29/34/11/650293411.db2.gz PLSMTFUBAOYNBV-LBPRGKRZSA-N 1 0 299.330 2.182 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833029640 637707484 /nfs/dbraw/zinc/70/74/84/637707484.db2.gz LUEUHCNBRDUSOQ-MISXGVKJSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC(=O)N1 ZINC000835061729 638045088 /nfs/dbraw/zinc/04/50/88/638045088.db2.gz VLEFPBUOWWRTKX-CYBMUJFWSA-N 1 0 297.742 2.007 20 5 CEBDRO Cc1ccc(NC(=O)C23CCC(CC2)[NH2+]3)cc1[N+](=O)[O-] ZINC000911907143 638474267 /nfs/dbraw/zinc/47/42/67/638474267.db2.gz SUPUZKPCJYKFKR-UHFFFAOYSA-N 1 0 275.308 2.126 20 5 CEBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876793476 650434953 /nfs/dbraw/zinc/43/49/53/650434953.db2.gz DTNJGNGFTKOPQZ-JTQLQIEISA-N 1 0 287.319 2.215 20 5 CEBDRO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000876816355 650444908 /nfs/dbraw/zinc/44/49/08/650444908.db2.gz XTZGHDHXWKVQSS-SWLSCSKDSA-N 1 0 278.352 2.414 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccsc3)C2)c1 ZINC000876877209 650469746 /nfs/dbraw/zinc/46/97/46/650469746.db2.gz PYHUIRVXCPJYEP-UHFFFAOYSA-N 1 0 278.337 2.346 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837925172 639444321 /nfs/dbraw/zinc/44/43/21/639444321.db2.gz YSAGBVRYAZHAKZ-GFCCVEGCSA-N 1 0 286.372 2.240 20 5 CEBDRO Cc1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000227689109 639601543 /nfs/dbraw/zinc/60/15/43/639601543.db2.gz LUDWZNVBLRWNEC-WCQYABFASA-N 1 0 264.325 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000228559670 639644562 /nfs/dbraw/zinc/64/45/62/639644562.db2.gz LUHLNWSIYPPGIC-UHFFFAOYSA-N 1 0 288.307 2.420 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841076724 639647433 /nfs/dbraw/zinc/64/74/33/639647433.db2.gz NCFUFQNGFBSQHJ-HTQZYQBOSA-N 1 0 257.721 2.074 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841080673 639649257 /nfs/dbraw/zinc/64/92/57/639649257.db2.gz XCXOUDGWFURPGR-QWRGUYRKSA-N 1 0 287.722 2.038 20 5 CEBDRO CC(C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841232108 639714031 /nfs/dbraw/zinc/71/40/31/639714031.db2.gz AIDDVXDPMBJPKJ-UHFFFAOYSA-N 1 0 286.719 2.107 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210381 639746514 /nfs/dbraw/zinc/74/65/14/639746514.db2.gz BJENWCKURXPKER-GWCFXTLKSA-N 1 0 280.324 2.397 20 5 CEBDRO CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505247 639862719 /nfs/dbraw/zinc/86/27/19/639862719.db2.gz RAMKQTGNJCAWBD-NSHDSACASA-N 1 0 284.385 2.193 20 5 CEBDRO Cc1nn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000842619306 640122139 /nfs/dbraw/zinc/12/21/39/640122139.db2.gz XIAWTCDVQDVQCB-RYUDHWBXSA-N 1 0 264.329 2.322 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930566 640222372 /nfs/dbraw/zinc/22/23/72/640222372.db2.gz YQYRNQDFCSXOOY-FXPVBKGRSA-N 1 0 265.313 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000843127428 640294143 /nfs/dbraw/zinc/29/41/43/640294143.db2.gz QZUPQGXIWOJIOV-DGCLKSJQSA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1c(-c2noc(C[C@H]([NH3+])C3CC3)n2)cccc1[N+](=O)[O-] ZINC000843237961 640364604 /nfs/dbraw/zinc/36/46/04/640364604.db2.gz JGRXPDKVMZIFIB-NSHDSACASA-N 1 0 288.307 2.233 20 5 CEBDRO Cc1c(-c2noc([C@]3(F)CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238472 640364633 /nfs/dbraw/zinc/36/46/33/640364633.db2.gz RSPCCRWYPZVDEI-ZDUSSCGKSA-N 1 0 292.270 2.111 20 5 CEBDRO [NH3+]C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000843448906 640434536 /nfs/dbraw/zinc/43/45/36/640434536.db2.gz PWABGBSKTAPWJU-UHFFFAOYSA-N 1 0 297.742 2.136 20 5 CEBDRO C[NH+](C)CCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000921271603 641242689 /nfs/dbraw/zinc/24/26/89/641242689.db2.gz ZMNHMXNTSSBSGG-UHFFFAOYSA-N 1 0 296.396 2.223 20 5 CEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000243084883 641645222 /nfs/dbraw/zinc/64/52/22/641645222.db2.gz ISXRNSLCCVMJLL-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO Cn1c(Cl)ncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000848541686 642044781 /nfs/dbraw/zinc/04/47/81/642044781.db2.gz TVSYLCGLAQPQFM-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCCCC[NH3+] ZINC000877440672 650722816 /nfs/dbraw/zinc/72/28/16/650722816.db2.gz GZFBBDIDJWAZNA-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO CC[C@](C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)OC ZINC000877523052 650764900 /nfs/dbraw/zinc/76/49/00/650764900.db2.gz VTDBQRPSJAVSML-CQSZACIVSA-N 1 0 281.356 2.175 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C=CCC1)OCCO2 ZINC000850358802 642682518 /nfs/dbraw/zinc/68/25/18/642682518.db2.gz WUTRQQIGRCJYNC-LLVKDONJSA-N 1 0 276.292 2.174 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576165 650796743 /nfs/dbraw/zinc/79/67/43/650796743.db2.gz IVPOAEVGSBXXCL-MFKMUULPSA-N 1 0 278.352 2.414 20 5 CEBDRO COC(OC)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922312459 643020476 /nfs/dbraw/zinc/02/04/76/643020476.db2.gz YYZJAHIYYBWIHC-LXSSAFMLSA-N 1 0 280.324 2.205 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC[C@@H]3F)C2)c1 ZINC000877682018 650847640 /nfs/dbraw/zinc/84/76/40/650847640.db2.gz FGWLCSYWEKBRBG-XYJRBWASSA-N 1 0 282.319 2.365 20 5 CEBDRO [NH3+][C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000853016962 643620621 /nfs/dbraw/zinc/62/06/21/643620621.db2.gz XOAFQMLTRQJRFM-RKDXNWHRSA-N 1 0 289.257 2.408 20 5 CEBDRO Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877697563 650855397 /nfs/dbraw/zinc/85/53/97/650855397.db2.gz KXNPPWZGOACXRL-UHFFFAOYSA-N 1 0 276.296 2.186 20 5 CEBDRO COC(=O)C[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000877707386 650863385 /nfs/dbraw/zinc/86/33/85/650863385.db2.gz RRTSJTODYZDWMW-HNNXBMFYSA-N 1 0 292.335 2.416 20 5 CEBDRO COc1cc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1C ZINC000853483218 643784591 /nfs/dbraw/zinc/78/45/91/643784591.db2.gz WPPANFMQTWIBHG-UHFFFAOYSA-N 1 0 293.367 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853579718 643820479 /nfs/dbraw/zinc/82/04/79/643820479.db2.gz MNNMDJBSOPPMJJ-ZYHUDNBSSA-N 1 0 272.308 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H]4C[C@H]4C3)c2c1 ZINC000853580950 643821387 /nfs/dbraw/zinc/82/13/87/643821387.db2.gz QYXBQPULICJANT-JQWIXIFHSA-N 1 0 272.308 2.244 20 5 CEBDRO CCC(=O)c1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853651596 643847184 /nfs/dbraw/zinc/84/71/84/643847184.db2.gz HIUMPQCXGIBTFR-UHFFFAOYSA-N 1 0 291.351 2.185 20 5 CEBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000754524415 644384909 /nfs/dbraw/zinc/38/49/09/644384909.db2.gz XNFKVZDTMVIEMJ-CYBMUJFWSA-N 1 0 278.308 2.026 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858501918 645182796 /nfs/dbraw/zinc/18/27/96/645182796.db2.gz FCMZWIYVVFCEER-FZZIBODNSA-N 1 0 279.340 2.395 20 5 CEBDRO CC[N@H+](CCOC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761288004 645265024 /nfs/dbraw/zinc/26/50/24/645265024.db2.gz HVQZYMMAXYPQAG-UHFFFAOYSA-N 1 0 292.339 2.179 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)CC1(C)C ZINC000878159463 651018041 /nfs/dbraw/zinc/01/80/41/651018041.db2.gz XRTFPTQOJQIXOH-SNVBAGLBSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163588 645721669 /nfs/dbraw/zinc/72/16/69/645721669.db2.gz AYXRXHLQFOEUMX-JTNHKYCSSA-N 1 0 290.319 2.069 20 5 CEBDRO C[C@H]1OCC[C@@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302932 651059955 /nfs/dbraw/zinc/05/99/55/651059955.db2.gz BDCACFHUYVPRAT-VXGBXAGGSA-N 1 0 276.336 2.378 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000772071577 646591976 /nfs/dbraw/zinc/59/19/76/646591976.db2.gz OXCOBRWWYUTYCI-UHFFFAOYSA-N 1 0 280.324 2.402 20 5 CEBDRO CCC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OCC ZINC000863565552 646757678 /nfs/dbraw/zinc/75/76/78/646757678.db2.gz NDXFKQVOZWHSJS-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO C[N@@H+](Cc1ccco1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271633 647044723 /nfs/dbraw/zinc/04/47/23/647044723.db2.gz MONSUUDCMPLPDF-AWEZNQCLSA-N 1 0 276.292 2.353 20 5 CEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000776485678 647065938 /nfs/dbraw/zinc/06/59/38/647065938.db2.gz UNTROEQIRSODBG-JSGCOSHPSA-N 1 0 298.314 2.018 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593150 647076783 /nfs/dbraw/zinc/07/67/83/647076783.db2.gz QEZJNHZPIQEVCX-MFKMUULPSA-N 1 0 252.314 2.359 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865472296 647311685 /nfs/dbraw/zinc/31/16/85/647311685.db2.gz WZFNBYMYRUAJDM-JTQLQIEISA-N 1 0 299.346 2.368 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3ccsc3[N+](=O)[O-])CC[C@H]21 ZINC000866207425 647671706 /nfs/dbraw/zinc/67/17/06/647671706.db2.gz PDXBYHWPUKNRSR-VHSXEESVSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000866261763 647701889 /nfs/dbraw/zinc/70/18/89/647701889.db2.gz ZKFDAJFHKIKQOI-GXFFZTMASA-N 1 0 282.315 2.434 20 5 CEBDRO Cn1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000783675259 647746927 /nfs/dbraw/zinc/74/69/27/647746927.db2.gz YFXMBOCWHJMISI-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOCCF ZINC000866392597 647771183 /nfs/dbraw/zinc/77/11/83/647771183.db2.gz FCLAPNNJGJQKHU-JTQLQIEISA-N 1 0 288.294 2.241 20 5 CEBDRO Cc1c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000866724361 647883357 /nfs/dbraw/zinc/88/33/57/647883357.db2.gz LMTASLPYYAMPJW-HIFRSBDPSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1c(CN2CCC[C@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000866724362 647883502 /nfs/dbraw/zinc/88/35/02/647883502.db2.gz LMTASLPYYAMPJW-UKRRQHHQSA-N 1 0 275.352 2.230 20 5 CEBDRO CCC[C@@H](CC)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943500 647996137 /nfs/dbraw/zinc/99/61/37/647996137.db2.gz XLGARVIFPWTFBI-DOMZBBRYSA-N 1 0 293.367 2.464 20 5 CEBDRO C[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000787677678 648127399 /nfs/dbraw/zinc/12/73/99/648127399.db2.gz ZPJCBCUBAIAEQH-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO O=C(Cc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCCC1 ZINC000787972690 648155234 /nfs/dbraw/zinc/15/52/34/648155234.db2.gz PMPQNSBULYVQRJ-UHFFFAOYSA-N 1 0 292.335 2.166 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565110 648543870 /nfs/dbraw/zinc/54/38/70/648543870.db2.gz FGOXLLXZMHUVFM-BREBYQMCSA-N 1 0 250.298 2.111 20 5 CEBDRO C[C@@H](C(=O)OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000792133774 648612699 /nfs/dbraw/zinc/61/26/99/648612699.db2.gz FYFOBXDOAQUWFT-SNVBAGLBSA-N 1 0 298.314 2.332 20 5 CEBDRO C[C@H](C(=O)OCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000792186297 648621322 /nfs/dbraw/zinc/62/13/22/648621322.db2.gz BVKWVIVQXQIZOH-NSHDSACASA-N 1 0 280.324 2.193 20 5 CEBDRO C[NH+](C)C1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000871355793 649069547 /nfs/dbraw/zinc/06/95/47/649069547.db2.gz OOFSWLVMPFBXFZ-UHFFFAOYSA-N 1 0 295.339 2.181 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCO ZINC000872016513 649242157 /nfs/dbraw/zinc/24/21/57/649242157.db2.gz KKXFLHXOSPBAIG-SECBINFHSA-N 1 0 270.354 2.350 20 5 CEBDRO C[C@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040102 649250874 /nfs/dbraw/zinc/25/08/74/649250874.db2.gz JMIHNNBGHOSRQT-ZJUUUORDSA-N 1 0 270.304 2.403 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129532 649287917 /nfs/dbraw/zinc/28/79/17/649287917.db2.gz KDHWMTGIGNGTCF-AXFHLTTASA-N 1 0 250.298 2.423 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC23CCC3)c1 ZINC000872250078 649328243 /nfs/dbraw/zinc/32/82/43/649328243.db2.gz FPQBBANYSBPEEN-CHWSQXEVSA-N 1 0 262.309 2.160 20 5 CEBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000872630169 649445431 /nfs/dbraw/zinc/44/54/31/649445431.db2.gz XSDFDPUBGOXZRF-UHFFFAOYSA-N 1 0 264.329 2.324 20 5 CEBDRO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000872778425 649485861 /nfs/dbraw/zinc/48/58/61/649485861.db2.gz AJNZNIOFXDWXBC-OLZOCXBDSA-N 1 0 291.351 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000873134683 649566389 /nfs/dbraw/zinc/56/63/89/649566389.db2.gz STTRAGJLRRVXLI-PWSUYJOCSA-N 1 0 264.325 2.479 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCCF ZINC000873140839 649568155 /nfs/dbraw/zinc/56/81/55/649568155.db2.gz VCJHLSBWCXETFC-UHFFFAOYSA-N 1 0 270.304 2.287 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000874389973 649767960 /nfs/dbraw/zinc/76/79/60/649767960.db2.gz VHZZZLNOFPQXAH-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879407784 651298754 /nfs/dbraw/zinc/29/87/54/651298754.db2.gz NVODLJFWCZBGTG-LBPRGKRZSA-N 1 0 296.371 2.037 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879572865 651324292 /nfs/dbraw/zinc/32/42/92/651324292.db2.gz KALOYGCTMIQAPN-FZMZJTMJSA-N 1 0 293.342 2.260 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000879583049 651327477 /nfs/dbraw/zinc/32/74/77/651327477.db2.gz VGRRXLMCLXRJAQ-TZMCWYRMSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880237231 651406183 /nfs/dbraw/zinc/40/61/83/651406183.db2.gz UACPEASFLOVVFJ-BXUZGUMPSA-N 1 0 282.315 2.310 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880237049 651406441 /nfs/dbraw/zinc/40/64/41/651406441.db2.gz PAOFQSXOXHIQJD-SMDDNHRTSA-N 1 0 282.315 2.310 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000880294639 651417375 /nfs/dbraw/zinc/41/73/75/651417375.db2.gz WRWUCYXOCTWELX-GFCCVEGCSA-N 1 0 252.289 2.429 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351501 652042752 /nfs/dbraw/zinc/04/27/52/652042752.db2.gz VNUURTUAMZIYPP-GHMZBOCLSA-N 1 0 294.330 2.192 20 5 CEBDRO CC(=O)c1c(N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882364476 652046150 /nfs/dbraw/zinc/04/61/50/652046150.db2.gz QUWLJEOBJYYVIT-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000882494170 652107443 /nfs/dbraw/zinc/10/74/43/652107443.db2.gz OAYYMQCOFZAXQC-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356955 652441184 /nfs/dbraw/zinc/44/11/84/652441184.db2.gz ZIMFQRPXIIOVDS-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000133361347 652622890 /nfs/dbraw/zinc/62/28/90/652622890.db2.gz IGZXUIVWDCYFSQ-UHFFFAOYSA-N 1 0 297.330 2.112 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1C ZINC000884030032 652640949 /nfs/dbraw/zinc/64/09/49/652640949.db2.gz DHUKJGDZBXVTKT-GHMZBOCLSA-N 1 0 291.351 2.034 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000884244554 652765075 /nfs/dbraw/zinc/76/50/75/652765075.db2.gz HITNFGRCHVGLRG-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO CC1(C)C[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134756224 652872729 /nfs/dbraw/zinc/87/27/29/652872729.db2.gz QCESJMCMNYPJHP-RYUDHWBXSA-N 1 0 250.298 2.016 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408067842 719153708 /nfs/dbraw/zinc/15/37/08/719153708.db2.gz PIKFZQZMMHWWNW-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001164629721 719153823 /nfs/dbraw/zinc/15/38/23/719153823.db2.gz CNQMOMVTCRJYPV-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1C ZINC001164640141 719184495 /nfs/dbraw/zinc/18/44/95/719184495.db2.gz UTRZOMCMHMWUJW-BDAKNGLRSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1ccnc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000609669703 721943854 /nfs/dbraw/zinc/94/38/54/721943854.db2.gz WBFIDXDQQNHJTD-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@H+]1C ZINC000822133796 806383269 /nfs/dbraw/zinc/38/32/69/806383269.db2.gz UHTBHQKMLRNMLI-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO COC(=O)C[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224620781 806869274 /nfs/dbraw/zinc/86/92/74/806869274.db2.gz BECOSCAIMAXSFK-ZIAGYGMSSA-N 1 0 272.409 2.221 20 5 CEBDRO C[NH2+]Cc1c(C)nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c1C ZINC001167098581 802471866 /nfs/dbraw/zinc/47/18/66/802471866.db2.gz QIJXWYCXNNSCAR-UHFFFAOYSA-N 1 0 295.730 2.165 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)C1 ZINC001167278838 802626370 /nfs/dbraw/zinc/62/63/70/802626370.db2.gz UYCUQJGNFWOJBR-JTQLQIEISA-N 1 0 265.313 2.028 20 5 CEBDRO [NH3+]Cc1cccn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001167595802 803176489 /nfs/dbraw/zinc/17/64/89/803176489.db2.gz LRKDKEPRGWEVNA-UHFFFAOYSA-N 1 0 297.112 2.002 20 5 CEBDRO [NH3+][C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001118263138 814998671 /nfs/dbraw/zinc/99/86/71/814998671.db2.gz AYJZLDZKAPWEJI-CQSZACIVSA-N 1 0 291.351 2.119 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000300423090 804772006 /nfs/dbraw/zinc/77/20/06/804772006.db2.gz NXAMTIWLQZOUON-ZANVPECISA-N 1 0 268.288 2.391 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001168420255 807273190 /nfs/dbraw/zinc/27/31/90/807273190.db2.gz RWKDZSAJMYXPKZ-UHFFFAOYSA-N 1 0 281.275 2.218 20 5 CEBDRO CC(=O)n1ncc2cc(O[C@H](C)C[N+](C)(C)C)ccc21 ZINC001234871037 807726755 /nfs/dbraw/zinc/72/67/55/807726755.db2.gz FMSGUVULMDDGRM-LLVKDONJSA-N 1 0 276.360 2.170 20 5 CEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000699789817 807845948 /nfs/dbraw/zinc/84/59/48/807845948.db2.gz QWEXXLJWERSWEE-LDYMZIIASA-N 1 0 270.716 2.373 20 5 CEBDRO CC(C)N(CC[NH3+])[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213486 815636864 /nfs/dbraw/zinc/63/68/64/815636864.db2.gz HWNJQNLLGRYBSL-GFCCVEGCSA-N 1 0 265.357 2.195 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1NC1(CC)C[NH2+]C1 ZINC001168583089 808668768 /nfs/dbraw/zinc/66/87/68/808668768.db2.gz FYKBBACBMZFZDD-UHFFFAOYSA-N 1 0 265.313 2.157 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000701937534 809477047 /nfs/dbraw/zinc/47/70/47/809477047.db2.gz YXHJUMUBLRCXBE-PWSUYJOCSA-N 1 0 286.278 2.263 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702065061 809492050 /nfs/dbraw/zinc/49/20/50/809492050.db2.gz VGAQZXOXKXCDCC-SCZZXKLOSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000703989142 809714337 /nfs/dbraw/zinc/71/43/37/809714337.db2.gz MQDRRIFTNRPFDL-ZYHUDNBSSA-N 1 0 282.315 2.184 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000704527491 809737191 /nfs/dbraw/zinc/73/71/91/809737191.db2.gz FGUZTVQPNYDCDV-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000707756423 809918683 /nfs/dbraw/zinc/91/86/83/809918683.db2.gz MNAFNQJCPUCPKP-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896474 809999375 /nfs/dbraw/zinc/99/93/75/809999375.db2.gz BGDJOGJQVANBGR-JFGNBEQYSA-N 1 0 250.298 2.280 20 5 CEBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H](C)C[NH+](C)C)c1F ZINC001163782604 810193921 /nfs/dbraw/zinc/19/39/21/810193921.db2.gz MHACFYIWKROWJC-VIFPVBQESA-N 1 0 255.293 2.404 20 5 CEBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001166956009 810504716 /nfs/dbraw/zinc/50/47/16/810504716.db2.gz QRZYDIOXDGGIEJ-LLVKDONJSA-N 1 0 286.335 2.189 20 5 CEBDRO Cc1cc(N2CCC(C)([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000823653286 810621288 /nfs/dbraw/zinc/62/12/88/810621288.db2.gz CNCMRHAFVSKMJD-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167156 815389922 /nfs/dbraw/zinc/38/99/22/815389922.db2.gz QMLFBVMFJVNFQZ-MFKMUULPSA-N 1 0 279.340 2.145 20 5 CEBDRO [NH3+]CCN(c1cccnc1)c1c(Cl)cncc1[N+](=O)[O-] ZINC001168835713 811263463 /nfs/dbraw/zinc/26/34/63/811263463.db2.gz CZFDDYNSYYUDFK-UHFFFAOYSA-N 1 0 293.714 2.135 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)C1 ZINC001168976341 811305078 /nfs/dbraw/zinc/30/50/78/811305078.db2.gz CWYUJBCOOCNCAJ-SHPPOPEUSA-N 1 0 290.363 2.070 20 5 CEBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984772 811311176 /nfs/dbraw/zinc/31/11/76/811311176.db2.gz AGGZTZRYQKSTDZ-AAVRWANBSA-N 1 0 298.383 2.001 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cnc2ccccn21 ZINC001168956247 811312364 /nfs/dbraw/zinc/31/23/64/811312364.db2.gz AMMAOBLVZMHRDV-AGIUHOORSA-N 1 0 288.351 2.430 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc(OC)c1 ZINC001168959034 811314031 /nfs/dbraw/zinc/31/40/31/811314031.db2.gz SMPNZGXXQYLGKM-AAEUAGOBSA-N 1 0 294.351 2.239 20 5 CEBDRO Cc1cccnc1CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168958972 811314472 /nfs/dbraw/zinc/31/44/72/811314472.db2.gz RTZWGOVQQIBHHG-KBPBESRZSA-N 1 0 277.368 2.358 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)C1 ZINC001168959140 811314481 /nfs/dbraw/zinc/31/44/81/811314481.db2.gz UADSLITXLUIWHO-MNOVXSKESA-N 1 0 275.308 2.363 20 5 CEBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967480 811318578 /nfs/dbraw/zinc/31/85/78/811318578.db2.gz PWSCQMNZNZOVJS-ZWNOBZJWSA-N 1 0 280.299 2.043 20 5 CEBDRO Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168967620 811320400 /nfs/dbraw/zinc/32/04/00/811320400.db2.gz RHFWVFUYQMFRPE-YNEHKIRRSA-N 1 0 263.341 2.486 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001168973404 811321155 /nfs/dbraw/zinc/32/11/55/811321155.db2.gz OPVKZEWHAFDPLG-NWDGAFQWSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001168975508 811323182 /nfs/dbraw/zinc/32/31/82/811323182.db2.gz VZTWXQQNTRELPS-GXSJLCMTSA-N 1 0 270.279 2.500 20 5 CEBDRO COCc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168991969 811325672 /nfs/dbraw/zinc/32/56/72/811325672.db2.gz IOGSKWDIJKPMCA-ZFWWWQNUSA-N 1 0 278.352 2.368 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(F)cn3)CC2)C1 ZINC001168998598 811327025 /nfs/dbraw/zinc/32/70/25/811327025.db2.gz OXAHYKDTCUSPBS-YPMHNXCESA-N 1 0 293.342 2.287 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C1 ZINC001169005839 811329765 /nfs/dbraw/zinc/32/97/65/811329765.db2.gz UZFJVVOSJTUKEZ-GDLCADMTSA-N 1 0 298.770 2.408 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001169006165 811330591 /nfs/dbraw/zinc/33/05/91/811330591.db2.gz WLOTZNJSHPWASI-JSGCOSHPSA-N 1 0 275.352 2.192 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ncccc32)C1 ZINC001168986864 811335856 /nfs/dbraw/zinc/33/58/56/811335856.db2.gz FOGKOHKAKOCIIL-SUNKGSAMSA-N 1 0 261.325 2.104 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)C1 ZINC001169013701 811336597 /nfs/dbraw/zinc/33/65/97/811336597.db2.gz VYONJHASPFTDHL-WYUUTHIRSA-N 1 0 274.311 2.409 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987257 811336626 /nfs/dbraw/zinc/33/66/26/811336626.db2.gz HSVMFNDPLRIYGB-NWDGAFQWSA-N 1 0 282.315 2.369 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC001168988864 811337945 /nfs/dbraw/zinc/33/79/45/811337945.db2.gz UGNYAYSNCINADQ-QWHCGFSZSA-N 1 0 270.373 2.371 20 5 CEBDRO COc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988938 811338218 /nfs/dbraw/zinc/33/82/18/811338218.db2.gz VDNVHZSEFFZJEY-AAEUAGOBSA-N 1 0 296.342 2.412 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC001169033324 811344342 /nfs/dbraw/zinc/34/43/42/811344342.db2.gz BYNMQGACBINMHT-GMTAPVOTSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037029 811345923 /nfs/dbraw/zinc/34/59/23/811345923.db2.gz HWAJQVUCTQSSOM-ZJUUUORDSA-N 1 0 292.351 2.258 20 5 CEBDRO Cc1ncccc1C[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046887 811356367 /nfs/dbraw/zinc/35/63/67/811356367.db2.gz ODAQHTYXUFFYOF-OCCSQVGLSA-N 1 0 263.341 2.267 20 5 CEBDRO CC(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054282 811358597 /nfs/dbraw/zinc/35/85/97/811358597.db2.gz LLIVJFWEGPSBHL-DZGCQCFKSA-N 1 0 283.416 2.236 20 5 CEBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169232406 811445512 /nfs/dbraw/zinc/44/55/12/811445512.db2.gz FACYGTSLFCBXBC-SECBINFHSA-N 1 0 276.296 2.117 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])n1 ZINC001169232202 811445805 /nfs/dbraw/zinc/44/58/05/811445805.db2.gz ASFWCRGFGWNNBI-LURJTMIESA-N 1 0 268.223 2.078 20 5 CEBDRO [NH3+]Cc1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)c1 ZINC001169723709 811644305 /nfs/dbraw/zinc/64/43/05/811644305.db2.gz YWWLHAIHHLTUJP-UHFFFAOYSA-N 1 0 272.308 2.118 20 5 CEBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc(Br)n2)c1 ZINC001169725070 811644532 /nfs/dbraw/zinc/64/45/32/811644532.db2.gz GYIYSOMOTJLZQC-UHFFFAOYSA-N 1 0 297.112 2.002 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC001170293427 812374526 /nfs/dbraw/zinc/37/45/26/812374526.db2.gz KVIRAYFPSYDKJE-SECBINFHSA-N 1 0 250.298 2.286 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001170297139 812377395 /nfs/dbraw/zinc/37/73/95/812377395.db2.gz KHZVFAFQCBCGGG-YPMHNXCESA-N 1 0 294.351 2.303 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC001170314476 812385964 /nfs/dbraw/zinc/38/59/64/812385964.db2.gz VXUPPVJFKOKXJF-NSHDSACASA-N 1 0 294.351 2.039 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]CCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170306716 812390155 /nfs/dbraw/zinc/39/01/55/812390155.db2.gz AOHBSLYBBZYLJY-NSHDSACASA-N 1 0 296.367 2.285 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C2CSC2)c([N+](=O)[O-])c1 ZINC001170307442 812390643 /nfs/dbraw/zinc/39/06/43/812390643.db2.gz FXEPPIHNLOLZQR-SECBINFHSA-N 1 0 282.365 2.239 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)C1CC1)CC2 ZINC001172898444 815540008 /nfs/dbraw/zinc/54/00/08/815540008.db2.gz AYFGORZEQXXSOI-ZBFHGGJFSA-N 1 0 290.363 2.203 20 5 CEBDRO C[C@@]1(O)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172905349 815540384 /nfs/dbraw/zinc/54/03/84/815540384.db2.gz RMHDMSMFKRNQOK-GDBMZVCRSA-N 1 0 290.363 2.299 20 5 CEBDRO C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001172907069 815540696 /nfs/dbraw/zinc/54/06/96/815540696.db2.gz CMGIQTXCMCVHDY-HZUKXOBISA-N 1 0 290.363 2.155 20 5 CEBDRO CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]C1 ZINC001158205130 812634183 /nfs/dbraw/zinc/63/41/83/812634183.db2.gz LDVNEXLXMBFOIY-SNVBAGLBSA-N 1 0 284.747 2.222 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895410 815542394 /nfs/dbraw/zinc/54/23/94/815542394.db2.gz CRNAYPUMTDEWKV-HUUCEWRRSA-N 1 0 289.379 2.136 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](CO)C1)CC2 ZINC001172910338 815559131 /nfs/dbraw/zinc/55/91/31/815559131.db2.gz LQKSSDMFFPOQAZ-WFASDCNBSA-N 1 0 290.363 2.156 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000217826796 813425796 /nfs/dbraw/zinc/42/57/96/813425796.db2.gz SDRBZRIXNAURSB-UHFFFAOYSA-N 1 0 297.330 2.196 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001170865703 813565993 /nfs/dbraw/zinc/56/59/93/813565993.db2.gz PTSUTTWGAJEWGG-SNVBAGLBSA-N 1 0 293.245 2.083 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000218578347 813585559 /nfs/dbraw/zinc/58/55/59/813585559.db2.gz KTCWCCOQCHMVNW-LLVKDONJSA-N 1 0 277.368 2.476 20 5 CEBDRO C[C@@H]([NH3+])CCNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001159778789 813657165 /nfs/dbraw/zinc/65/71/65/813657165.db2.gz ABJZGORWGSXXLV-SSDOTTSWSA-N 1 0 295.730 2.341 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001173233933 815632431 /nfs/dbraw/zinc/63/24/31/815632431.db2.gz LTHUZKHVUXPWJV-CORIIIEPSA-N 1 0 278.352 2.419 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CN(C)C2)C1 ZINC001173233765 815632628 /nfs/dbraw/zinc/63/26/28/815632628.db2.gz YAHUAVHZBJQCHP-CYBMUJFWSA-N 1 0 289.379 2.163 20 5 CEBDRO COC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231890 815633182 /nfs/dbraw/zinc/63/31/82/815633182.db2.gz OPFWDVXHIJSGDY-NSHDSACASA-N 1 0 280.324 2.021 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnco1 ZINC001173212927 815635500 /nfs/dbraw/zinc/63/55/00/815635500.db2.gz CUYOSINGFXXKGD-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)COC1 ZINC001173212344 815635573 /nfs/dbraw/zinc/63/55/73/815635573.db2.gz ZUPTUMURJIPKEV-NSHDSACASA-N 1 0 264.325 2.152 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@H](c3cnccn3)C2)cs1 ZINC001176516757 816431956 /nfs/dbraw/zinc/43/19/56/816431956.db2.gz SOLWNLZXDLXMQE-NSHDSACASA-N 1 0 290.348 2.436 20 5 CEBDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601269359 346807174 /nfs/dbraw/zinc/80/71/74/346807174.db2.gz YSSKPUKKUAPYFA-UHFFFAOYSA-N 1 0 292.335 2.416 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291821 346813896 /nfs/dbraw/zinc/81/38/96/346813896.db2.gz ODMOCVYMBPRCTM-GARJFASQSA-N 1 0 280.324 2.025 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000601292316 346814005 /nfs/dbraw/zinc/81/40/05/346814005.db2.gz URTHQKYDTFDVLG-UTUOFQBUSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292609 346814044 /nfs/dbraw/zinc/81/40/44/346814044.db2.gz ZYIUAHQCDCLBDI-BZPMIXESSA-N 1 0 278.352 2.276 20 5 CEBDRO COC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103724 282100969 /nfs/dbraw/zinc/10/09/69/282100969.db2.gz BXUMXMUTBOBBIM-RYUDHWBXSA-N 1 0 266.341 2.398 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nncn1C ZINC000449126919 282110317 /nfs/dbraw/zinc/11/03/17/282110317.db2.gz NUAUPYDDLQYLOJ-QWRGUYRKSA-N 1 0 289.339 2.005 20 5 CEBDRO Cc1ccc(C[NH2+]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000034994708 361802919 /nfs/dbraw/zinc/80/29/19/361802919.db2.gz BIYFPDINTVCNDD-UHFFFAOYSA-N 1 0 274.324 2.280 20 5 CEBDRO Cc1ccc(CNCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000035015717 361804194 /nfs/dbraw/zinc/80/41/94/361804194.db2.gz GQYPLDRGNJQGCI-UHFFFAOYSA-N 1 0 277.368 2.479 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000079914581 343993977 /nfs/dbraw/zinc/99/39/77/343993977.db2.gz PKRNPSWSIWTLKC-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000337625533 214186092 /nfs/dbraw/zinc/18/60/92/214186092.db2.gz AFAMDDCGXAURKR-NSHDSACASA-N 1 0 277.324 2.265 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601330586 346822095 /nfs/dbraw/zinc/82/20/95/346822095.db2.gz UYXHTNQDADOYGU-GZMMTYOYSA-N 1 0 269.732 2.170 20 5 CEBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000096478397 529378052 /nfs/dbraw/zinc/37/80/52/529378052.db2.gz OOCFEKOITVNQQS-ZDUSSCGKSA-N 1 0 252.314 2.154 20 5 CEBDRO Cc1ccc(NC(=O)C2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000037616077 361911379 /nfs/dbraw/zinc/91/13/79/361911379.db2.gz IBRWLRPNKKAONK-UHFFFAOYSA-N 1 0 263.297 2.113 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810261 361948580 /nfs/dbraw/zinc/94/85/80/361948580.db2.gz MHDDGEHLQZXZTO-AWEZNQCLSA-N 1 0 279.340 2.071 20 5 CEBDRO Cc1ccc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080552809 344013805 /nfs/dbraw/zinc/01/38/05/344013805.db2.gz VBVCIGDXVQNRPL-UHFFFAOYSA-N 1 0 263.341 2.434 20 5 CEBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000601790403 346899964 /nfs/dbraw/zinc/89/99/64/346899964.db2.gz FNKFNYKRZQCYNW-UHFFFAOYSA-N 1 0 295.339 2.134 20 5 CEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125931855 187205425 /nfs/dbraw/zinc/20/54/25/187205425.db2.gz GNHSFGRCMVLZLU-OLZOCXBDSA-N 1 0 292.335 2.416 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449507326 282262858 /nfs/dbraw/zinc/26/28/58/282262858.db2.gz LVTJPILQLJUPSS-ZBFHGGJFSA-N 1 0 290.363 2.482 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044491632 343472704 /nfs/dbraw/zinc/47/27/04/343472704.db2.gz AYNKTEINVZBZGH-JTQLQIEISA-N 1 0 297.742 2.120 20 5 CEBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000048022993 343524905 /nfs/dbraw/zinc/52/49/05/343524905.db2.gz KZKSWMUPKBNBME-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000063466713 343677649 /nfs/dbraw/zinc/67/76/49/343677649.db2.gz PEWQEKFVRXXUQM-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068576393 343768885 /nfs/dbraw/zinc/76/88/85/343768885.db2.gz QIKQRNZHBNSRQB-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000351517422 219112366 /nfs/dbraw/zinc/11/23/66/219112366.db2.gz NULVNGVITFLDKA-CABCVRRESA-N 1 0 294.351 2.114 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449603632 282301442 /nfs/dbraw/zinc/30/14/42/282301442.db2.gz RDZUKOHKCLXGLQ-RYUDHWBXSA-N 1 0 293.367 2.030 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000072924780 343815464 /nfs/dbraw/zinc/81/54/64/343815464.db2.gz IEMGIKLDHJHYFX-ZDUSSCGKSA-N 1 0 252.314 2.355 20 5 CEBDRO Cc1c(C(=O)NCC[NH2+]C(C)(C)C)cccc1[N+](=O)[O-] ZINC000075650966 343861251 /nfs/dbraw/zinc/86/12/51/343861251.db2.gz FTRNLWDHINTNFT-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000075693534 343863101 /nfs/dbraw/zinc/86/31/01/343863101.db2.gz LVMTXJVWOYNCMO-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000049074983 362332107 /nfs/dbraw/zinc/33/21/07/362332107.db2.gz LGBHXZJSACGBSN-GFCCVEGCSA-N 1 0 274.324 2.451 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CC3)CC2)c1 ZINC000088701764 344113060 /nfs/dbraw/zinc/11/30/60/344113060.db2.gz GNLFRJCFBRWIFW-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825651 344097439 /nfs/dbraw/zinc/09/74/39/344097439.db2.gz IBOXJTFLWNAALS-UHFFFAOYSA-N 1 0 290.323 2.219 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000089580857 344124627 /nfs/dbraw/zinc/12/46/27/344124627.db2.gz KUCLXYQVNAMSRY-LLVKDONJSA-N 1 0 288.307 2.114 20 5 CEBDRO CN(C)C(=O)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000108422514 344265099 /nfs/dbraw/zinc/26/50/99/344265099.db2.gz JVWFGGQOOARGPR-VQHVLOKHSA-N 1 0 291.351 2.064 20 5 CEBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602465550 347044175 /nfs/dbraw/zinc/04/41/75/347044175.db2.gz RVLQSNUVVKSRTF-GFCCVEGCSA-N 1 0 264.329 2.093 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172232172 529965452 /nfs/dbraw/zinc/96/54/52/529965452.db2.gz VIMNVDIQBODHON-JTQLQIEISA-N 1 0 297.380 2.070 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000119148252 344293670 /nfs/dbraw/zinc/29/36/70/344293670.db2.gz TUNLPDUYFABLGH-HOTGVXAUSA-N 1 0 284.315 2.343 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000128451096 344336902 /nfs/dbraw/zinc/33/69/02/344336902.db2.gz GIMIIEFIDHRQQX-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468125 347044983 /nfs/dbraw/zinc/04/49/83/347044983.db2.gz UGNSTZIXBLFCJI-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122470555 344306550 /nfs/dbraw/zinc/30/65/50/344306550.db2.gz MMKGRAZWKCHCMK-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)C2=CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602468652 347045188 /nfs/dbraw/zinc/04/51/88/347045188.db2.gz XCXOXNCRNZCLRP-GXFFZTMASA-N 1 0 289.335 2.128 20 5 CEBDRO CC(C)(C)OC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000232570248 344577857 /nfs/dbraw/zinc/57/78/57/344577857.db2.gz QLUAOFNIBJMBAO-UHFFFAOYSA-N 1 0 294.351 2.459 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1OCC1CC[NH2+]CC1 ZINC000051869690 362442017 /nfs/dbraw/zinc/44/20/17/362442017.db2.gz ZQQAIYLJXQLFOJ-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000051998932 362459064 /nfs/dbraw/zinc/45/90/64/362459064.db2.gz HJKGSBHOZYWTAD-TZMCWYRMSA-N 1 0 264.325 2.296 20 5 CEBDRO CSCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000237513076 344602571 /nfs/dbraw/zinc/60/25/71/344602571.db2.gz QSLXCTYTMYGCLB-SNVBAGLBSA-N 1 0 297.380 2.265 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000053335663 362490289 /nfs/dbraw/zinc/49/02/89/362490289.db2.gz AQJANZWVAYVZOE-UHFFFAOYSA-N 1 0 261.306 2.364 20 5 CEBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000313114500 344741661 /nfs/dbraw/zinc/74/16/61/344741661.db2.gz ZPJJOCJRFGRSRP-ZFWWWQNUSA-N 1 0 275.352 2.156 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000315293193 344747717 /nfs/dbraw/zinc/74/77/17/344747717.db2.gz JGZKDYMKDLODNT-OAHLLOKOSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293100750 344690872 /nfs/dbraw/zinc/69/08/72/344690872.db2.gz LBMNUAJWTVILOW-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO CC[C@@](C)(C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)OC ZINC000322613529 344753132 /nfs/dbraw/zinc/75/31/32/344753132.db2.gz LOVLKZNGAKWTSN-AWEZNQCLSA-N 1 0 282.340 2.378 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602552697 347073923 /nfs/dbraw/zinc/07/39/23/347073923.db2.gz IDKVIAGUYCWWLB-VXGBXAGGSA-N 1 0 291.351 2.082 20 5 CEBDRO COc1ccc(C[NH+]2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000400913444 344864294 /nfs/dbraw/zinc/86/42/94/344864294.db2.gz GIHVYFRWNCSNKA-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000401151510 344866715 /nfs/dbraw/zinc/86/67/15/344866715.db2.gz FQVNWBJGOPIWDA-PSASIEDQSA-N 1 0 268.292 2.024 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401187234 344867258 /nfs/dbraw/zinc/86/72/58/344867258.db2.gz NEOHPNPFEQZLHR-WDEREUQCSA-N 1 0 280.303 2.168 20 5 CEBDRO C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000404411864 344879804 /nfs/dbraw/zinc/87/98/04/344879804.db2.gz YGJZWIRUOPUNRB-SMDDNHRTSA-N 1 0 291.351 2.184 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071895 345037523 /nfs/dbraw/zinc/03/75/23/345037523.db2.gz NJIXMNMFUCIGPC-VXGBXAGGSA-N 1 0 276.340 2.053 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589112910 345066158 /nfs/dbraw/zinc/06/61/58/345066158.db2.gz GJDIQXBUJHFAAM-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO CC1([NH3+])CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592331575 345343118 /nfs/dbraw/zinc/34/31/18/345343118.db2.gz XBCCFYFEAPNDMM-UHFFFAOYSA-N 1 0 297.742 2.202 20 5 CEBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427593 345352014 /nfs/dbraw/zinc/35/20/14/345352014.db2.gz GDUCPXVORYVYTI-WFASDCNBSA-N 1 0 277.368 2.462 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000592493890 345360240 /nfs/dbraw/zinc/36/02/40/345360240.db2.gz HNRAQRKPABBUTG-GFCCVEGCSA-N 1 0 275.352 2.169 20 5 CEBDRO Cc1ccc(C[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000295109151 199348961 /nfs/dbraw/zinc/34/89/61/199348961.db2.gz LJMDOENPXCOFNL-LLVKDONJSA-N 1 0 266.341 2.401 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCCC2)cs1 ZINC000096478961 232185006 /nfs/dbraw/zinc/18/50/06/232185006.db2.gz MJXVWRNETNDBSV-UHFFFAOYSA-N 1 0 256.327 2.051 20 5 CEBDRO O=C(C[NH2+]C1(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593082918 345434995 /nfs/dbraw/zinc/43/49/95/345434995.db2.gz YQTFFEGOCWYJJF-UHFFFAOYSA-N 1 0 289.335 2.456 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719350 345527426 /nfs/dbraw/zinc/52/74/26/345527426.db2.gz WWUMDBUJEPHPIB-DGCLKSJQSA-N 1 0 270.304 2.356 20 5 CEBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000602579456 347086573 /nfs/dbraw/zinc/08/65/73/347086573.db2.gz SSVUIRGNESDAEA-NSHDSACASA-N 1 0 295.314 2.077 20 5 CEBDRO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000594495232 345638104 /nfs/dbraw/zinc/63/81/04/345638104.db2.gz OIPGCEBEDYZFTM-ZDUSSCGKSA-N 1 0 272.308 2.403 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000594600478 345657046 /nfs/dbraw/zinc/65/70/46/345657046.db2.gz LJZOJOQEWRAYTC-QWHCGFSZSA-N 1 0 276.340 2.419 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000594591810 345653691 /nfs/dbraw/zinc/65/36/91/345653691.db2.gz LNKCUVIQTOROMH-DTORHVGOSA-N 1 0 255.343 2.408 20 5 CEBDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000594710223 345676463 /nfs/dbraw/zinc/67/64/63/345676463.db2.gz JPJDYZUKCUKTMT-SMDDNHRTSA-N 1 0 282.340 2.297 20 5 CEBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594712260 345676711 /nfs/dbraw/zinc/67/67/11/345676711.db2.gz UKWGYVSHGPCXIK-UXIGCNINSA-N 1 0 294.351 2.297 20 5 CEBDRO CC[C@@H]([NH2+]C/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595070766 345739613 /nfs/dbraw/zinc/73/96/13/345739613.db2.gz NJUUCQXLIKPBJI-ITDFMYJTSA-N 1 0 250.298 2.184 20 5 CEBDRO C[C@H](CNCc1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000060390881 362660267 /nfs/dbraw/zinc/66/02/67/362660267.db2.gz JEODFZZQVSKOQZ-LLVKDONJSA-N 1 0 283.397 2.478 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595233658 345746812 /nfs/dbraw/zinc/74/68/12/345746812.db2.gz UAXMPCDDTCCBQU-GFCCVEGCSA-N 1 0 280.328 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594919671 345701775 /nfs/dbraw/zinc/70/17/75/345701775.db2.gz JAGWROGQYDDOCW-UHFFFAOYSA-N 1 0 286.335 2.070 20 5 CEBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594961565 345718064 /nfs/dbraw/zinc/71/80/64/345718064.db2.gz AGBOFBOQAMFWQJ-HKMRUAMVSA-N 1 0 296.392 2.374 20 5 CEBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594968220 345719224 /nfs/dbraw/zinc/71/92/24/345719224.db2.gz FCAWQJQPGBNRRG-UMSPYCQHSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cs1 ZINC000594990335 345722746 /nfs/dbraw/zinc/72/27/46/345722746.db2.gz XDEJZDRLMYPCKA-UWVGGRQHSA-N 1 0 268.338 2.049 20 5 CEBDRO CCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012489 345726993 /nfs/dbraw/zinc/72/69/93/345726993.db2.gz OVPGVNHIQWICAH-JTQLQIEISA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000595023222 345729823 /nfs/dbraw/zinc/72/98/23/345729823.db2.gz XYDBOCKCIRYBJY-GRYCIOLGSA-N 1 0 292.335 2.191 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(C)O ZINC000595031659 345730881 /nfs/dbraw/zinc/73/08/81/345730881.db2.gz AWGAFTWYPUBOIQ-JTQLQIEISA-N 1 0 282.340 2.415 20 5 CEBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000595319016 345761572 /nfs/dbraw/zinc/76/15/72/345761572.db2.gz XZNVOQMXBYFJHX-SNVBAGLBSA-N 1 0 277.280 2.474 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CO)CCCC1 ZINC000595384563 345771665 /nfs/dbraw/zinc/77/16/65/345771665.db2.gz XSYUEHDOEHBQSK-UHFFFAOYSA-N 1 0 268.288 2.129 20 5 CEBDRO Cc1noc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000595408093 345776173 /nfs/dbraw/zinc/77/61/73/345776173.db2.gz MCIOWLXNZBLTIX-ZDUSSCGKSA-N 1 0 283.328 2.018 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000595407842 345776184 /nfs/dbraw/zinc/77/61/84/345776184.db2.gz HJHWAAMEDSOYRJ-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424185 345778454 /nfs/dbraw/zinc/77/84/54/345778454.db2.gz OVCCQRZSFSAPHO-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595467539 345790286 /nfs/dbraw/zinc/79/02/86/345790286.db2.gz MVXRQXZJTSVNOV-TZMCWYRMSA-N 1 0 298.314 2.018 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000595487973 345794001 /nfs/dbraw/zinc/79/40/01/345794001.db2.gz ADJOYIKCXVUNPF-ZDUSSCGKSA-N 1 0 282.315 2.375 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CCO)CCCC1 ZINC000595509052 345799104 /nfs/dbraw/zinc/79/91/04/345799104.db2.gz NTTOXZHVBCEQJL-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595533814 345804603 /nfs/dbraw/zinc/80/46/03/345804603.db2.gz OCTJUELDTVUWED-UHFFFAOYSA-N 1 0 276.336 2.474 20 5 CEBDRO CO[C@]1(CO)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595664557 345841819 /nfs/dbraw/zinc/84/18/19/345841819.db2.gz ZXLGOGXJHYOSIU-IUODEOHRSA-N 1 0 294.351 2.129 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(C3CCC3)CC2)n1 ZINC000595657715 345840405 /nfs/dbraw/zinc/84/04/05/345840405.db2.gz AXKLGXCRTUXSMK-UHFFFAOYSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595837661 345892695 /nfs/dbraw/zinc/89/26/95/345892695.db2.gz QFQLRPHJTHONLM-ZDUSSCGKSA-N 1 0 278.356 2.303 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756758 345868228 /nfs/dbraw/zinc/86/82/28/345868228.db2.gz WNUWSCGZRHVVPR-WFASDCNBSA-N 1 0 292.335 2.072 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595758575 345869277 /nfs/dbraw/zinc/86/92/77/345869277.db2.gz SBCSUDVWXFNFAJ-SLEUVZQESA-N 1 0 276.336 2.421 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000595873713 345904041 /nfs/dbraw/zinc/90/40/41/345904041.db2.gz MPLAIGSQGVNJEO-XHDPSFHLSA-N 1 0 294.351 2.054 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000596013201 345923230 /nfs/dbraw/zinc/92/32/30/345923230.db2.gz DOXVEHMTRVKEGY-UTUOFQBUSA-N 1 0 293.367 2.413 20 5 CEBDRO CC1(C)CC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000596071027 345932781 /nfs/dbraw/zinc/93/27/81/345932781.db2.gz WBIVOSAAUJMSST-UHFFFAOYSA-N 1 0 294.355 2.417 20 5 CEBDRO O=[N+]([O-])c1cn(Cc2cccc3c2CC[NH2+]C3)nc1C1CC1 ZINC000596071615 345932927 /nfs/dbraw/zinc/93/29/27/345932927.db2.gz OQAIBUXGNWJMLT-UHFFFAOYSA-N 1 0 298.346 2.363 20 5 CEBDRO Cc1cc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])s1 ZINC000596091953 345937800 /nfs/dbraw/zinc/93/78/00/345937800.db2.gz QJINUYKGAORVDN-VIFPVBQESA-N 1 0 255.343 2.471 20 5 CEBDRO COc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596090933 345938003 /nfs/dbraw/zinc/93/80/03/345938003.db2.gz SCEWYWUYGPONAG-VIFPVBQESA-N 1 0 295.314 2.391 20 5 CEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596128116 345946199 /nfs/dbraw/zinc/94/61/99/345946199.db2.gz DVUAFLPBFOHUFG-JTQLQIEISA-N 1 0 298.774 2.421 20 5 CEBDRO CCN(CCC[NH+](CC)CC)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596204570 345968618 /nfs/dbraw/zinc/96/86/18/345968618.db2.gz AHEFZJVDPXQXJN-UHFFFAOYSA-N 1 0 296.371 2.254 20 5 CEBDRO C[NH+](C)CC1CN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596248043 345980070 /nfs/dbraw/zinc/98/00/70/345980070.db2.gz VWNIPOPCIJRWCW-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](CC)C[C@@H]1C ZINC000596268259 345986363 /nfs/dbraw/zinc/98/63/63/345986363.db2.gz HEKIBZGFDOISLU-NSHDSACASA-N 1 0 295.387 2.040 20 5 CEBDRO O=c1[nH]ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298134 345994177 /nfs/dbraw/zinc/99/41/77/345994177.db2.gz UQSBXJJWKZOILP-ZYHUDNBSSA-N 1 0 292.339 2.124 20 5 CEBDRO Cc1cc(N(C)CC2C[NH+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000596452072 346027721 /nfs/dbraw/zinc/02/77/21/346027721.db2.gz AWPGTVLSLGGRET-UHFFFAOYSA-N 1 0 267.304 2.040 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597055260 346121794 /nfs/dbraw/zinc/12/17/94/346121794.db2.gz FHWDZTYISAVNLN-ZFWWWQNUSA-N 1 0 276.336 2.294 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597061060 346122773 /nfs/dbraw/zinc/12/27/73/346122773.db2.gz JFCVJNLIXQYKHU-HIFRSBDPSA-N 1 0 276.336 2.294 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212335 346150184 /nfs/dbraw/zinc/15/01/84/346150184.db2.gz UNWHLEXDIKRFQJ-UKRRQHHQSA-N 1 0 276.336 2.372 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597858138 346239555 /nfs/dbraw/zinc/23/95/55/346239555.db2.gz KGHZYACSYLWTIZ-LLVKDONJSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000597995939 346265816 /nfs/dbraw/zinc/26/58/16/346265816.db2.gz HEYVJFKFGKYHNI-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915162 346433417 /nfs/dbraw/zinc/43/34/17/346433417.db2.gz JALFEVSRQMKMAG-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596137 347093041 /nfs/dbraw/zinc/09/30/41/347093041.db2.gz HOJVBYFLNDGTTA-SMDDNHRTSA-N 1 0 278.356 2.340 20 5 CEBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)C1 ZINC000602596134 347093071 /nfs/dbraw/zinc/09/30/71/347093071.db2.gz HOJVBYFLNDGTTA-BXUZGUMPSA-N 1 0 278.356 2.340 20 5 CEBDRO CCC(CC)[NH2+]CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000599098239 346459660 /nfs/dbraw/zinc/45/96/60/346459660.db2.gz RWIRPCIPUSLRHP-UHFFFAOYSA-N 1 0 266.345 2.488 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164709 346470401 /nfs/dbraw/zinc/47/04/01/346470401.db2.gz KERAKWKNRPEOFG-ZDUSSCGKSA-N 1 0 290.367 2.149 20 5 CEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000602600040 347094701 /nfs/dbraw/zinc/09/47/01/347094701.db2.gz GKZFXJRQJZJYCH-UHFFFAOYSA-N 1 0 283.353 2.048 20 5 CEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)[NH2+]1 ZINC000599179839 346474658 /nfs/dbraw/zinc/47/46/58/346474658.db2.gz JXKCPHWHPUNNSY-NWDGAFQWSA-N 1 0 263.341 2.480 20 5 CEBDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000599355156 346505406 /nfs/dbraw/zinc/50/54/06/346505406.db2.gz VHPUXBFPIVPJTR-LBPRGKRZSA-N 1 0 294.351 2.441 20 5 CEBDRO C[C@H](O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602607043 347098229 /nfs/dbraw/zinc/09/82/29/347098229.db2.gz FTHSFEZSAGDHRU-QMMMGPOBSA-N 1 0 292.257 2.426 20 5 CEBDRO Cn1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])n1 ZINC000602606328 347097592 /nfs/dbraw/zinc/09/75/92/347097592.db2.gz BYPHAHXQSHYXEZ-LLVKDONJSA-N 1 0 264.329 2.116 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000129023421 365819715 /nfs/dbraw/zinc/81/97/15/365819715.db2.gz FUBYRQOLZNAJRN-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129331257 365847944 /nfs/dbraw/zinc/84/79/44/365847944.db2.gz WONIJSKHFRHKHI-BIMULSAOSA-N 1 0 264.325 2.405 20 5 CEBDRO C[C@@](CO)([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148487 346769898 /nfs/dbraw/zinc/76/98/98/346769898.db2.gz COEDBPOKUIVQAV-FZMZJTMJSA-N 1 0 296.392 2.145 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165437 346774599 /nfs/dbraw/zinc/77/45/99/346774599.db2.gz OLHUGMQJKCCROM-JQWIXIFHSA-N 1 0 294.330 2.192 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC34CC4)nc2c1 ZINC000602696252 347152554 /nfs/dbraw/zinc/15/25/54/347152554.db2.gz XGDQMLTVNWYKIK-NSHDSACASA-N 1 0 259.265 2.378 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602701077 347156196 /nfs/dbraw/zinc/15/61/96/347156196.db2.gz ZSEFHLKVSHXNGU-GFCCVEGCSA-N 1 0 278.356 2.340 20 5 CEBDRO Cn1cc(C[NH+]2CCC(C3CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602711680 347164819 /nfs/dbraw/zinc/16/48/19/347164819.db2.gz VEHKWHBROBOZHW-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000063755915 362773115 /nfs/dbraw/zinc/77/31/15/362773115.db2.gz FDWVTKQBJFAOGB-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000602770079 347191379 /nfs/dbraw/zinc/19/13/79/347191379.db2.gz VCZCUPOLDNLLRW-JTQLQIEISA-N 1 0 254.334 2.195 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000602783306 347196315 /nfs/dbraw/zinc/19/63/15/347196315.db2.gz KRRPLDFYVUIIOB-GFCCVEGCSA-N 1 0 298.412 2.173 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@@H]1C ZINC000602784808 347197276 /nfs/dbraw/zinc/19/72/76/347197276.db2.gz INVQUEOEDQFZQN-NSHDSACASA-N 1 0 266.345 2.364 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC(C)(C)C1 ZINC000602784821 347197320 /nfs/dbraw/zinc/19/73/20/347197320.db2.gz IWZFPJFTAJEXHF-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000602786577 347198021 /nfs/dbraw/zinc/19/80/21/347198021.db2.gz RIYUTSYBJKSKNU-GHMZBOCLSA-N 1 0 266.345 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000602786582 347198051 /nfs/dbraw/zinc/19/80/51/347198051.db2.gz RIYUTSYBJKSKNU-WDEREUQCSA-N 1 0 266.345 2.220 20 5 CEBDRO CSCC[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795622 347201603 /nfs/dbraw/zinc/20/16/03/347201603.db2.gz UKQWCUSPKURYFK-JTQLQIEISA-N 1 0 286.401 2.173 20 5 CEBDRO CS[C@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794504 347202034 /nfs/dbraw/zinc/20/20/34/347202034.db2.gz CPIYTQCECCNAPN-LBPRGKRZSA-N 1 0 298.412 2.317 20 5 CEBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602809348 347208374 /nfs/dbraw/zinc/20/83/74/347208374.db2.gz BGQNDWRKKLHDLW-CMPLNLGQSA-N 1 0 266.345 2.387 20 5 CEBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814699 347211028 /nfs/dbraw/zinc/21/10/28/347211028.db2.gz NCQXTDZLRVZOQG-ZYHUDNBSSA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1ccc(NC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000602755241 347186224 /nfs/dbraw/zinc/18/62/24/347186224.db2.gz BZLPJWGXCGMXPP-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602931289 347250592 /nfs/dbraw/zinc/25/05/92/347250592.db2.gz ORUVSAVNMDBWSF-OCCSQVGLSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823561 347213852 /nfs/dbraw/zinc/21/38/52/347213852.db2.gz VNNPDFHGCMTWHC-RYUDHWBXSA-N 1 0 266.345 2.268 20 5 CEBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829477 347216408 /nfs/dbraw/zinc/21/64/08/347216408.db2.gz JDSROHXQIYILQY-RYUDHWBXSA-N 1 0 298.412 2.364 20 5 CEBDRO Cc1n[nH]cc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000602940218 347252389 /nfs/dbraw/zinc/25/23/89/347252389.db2.gz XDKRXGNSUOJZED-UHFFFAOYSA-N 1 0 290.323 2.137 20 5 CEBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000602879373 347236322 /nfs/dbraw/zinc/23/63/22/347236322.db2.gz CVIHGEIMISVBAL-ZDUSSCGKSA-N 1 0 288.307 2.361 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000602983125 347265949 /nfs/dbraw/zinc/26/59/49/347265949.db2.gz CCASVEWVIQUPLX-HNNXBMFYSA-N 1 0 294.351 2.340 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000603396888 347358186 /nfs/dbraw/zinc/35/81/86/347358186.db2.gz AWALGDSCSOOECK-GHMZBOCLSA-N 1 0 295.387 2.260 20 5 CEBDRO CC[C@H]([NH2+]CC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982682 179210218 /nfs/dbraw/zinc/21/02/18/179210218.db2.gz HICNWSVICORTIO-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1(C)C ZINC000603405469 347360753 /nfs/dbraw/zinc/36/07/53/347360753.db2.gz IXBWMPKDXJMXEU-WDEREUQCSA-N 1 0 282.319 2.270 20 5 CEBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C1(C)C ZINC000603406675 347361520 /nfs/dbraw/zinc/36/15/20/347361520.db2.gz NLCFGCQJPFAGEK-JGVFFNPUSA-N 1 0 270.358 2.192 20 5 CEBDRO COCC[C@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829232 365892389 /nfs/dbraw/zinc/89/23/89/365892389.db2.gz BRUZDSXZISSRNC-DGCLKSJQSA-N 1 0 282.340 2.297 20 5 CEBDRO Cc1ccnc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609670071 347649054 /nfs/dbraw/zinc/64/90/54/347649054.db2.gz ZLEIGMIWZHEBEU-GFCCVEGCSA-N 1 0 278.356 2.265 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000609876496 347654337 /nfs/dbraw/zinc/65/43/37/347654337.db2.gz AZDYFGVPXWCSJJ-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO CN(CCCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000610111931 347660688 /nfs/dbraw/zinc/66/06/88/347660688.db2.gz LJKWDSPOMRXRFB-UHFFFAOYSA-N 1 0 279.340 2.009 20 5 CEBDRO C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838600 365910376 /nfs/dbraw/zinc/91/03/76/365910376.db2.gz NHKSQBKNVQHLIE-ZYHUDNBSSA-N 1 0 281.331 2.306 20 5 CEBDRO C[C@H]1COCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610990749 347727973 /nfs/dbraw/zinc/72/79/73/347727973.db2.gz LQSLAMBWLLXIQE-LBPRGKRZSA-N 1 0 264.325 2.248 20 5 CEBDRO O=[N+]([O-])c1sccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611165754 347746310 /nfs/dbraw/zinc/74/63/10/347746310.db2.gz JCAINRVEKLHEEN-LLVKDONJSA-N 1 0 297.380 2.322 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611271169 347761252 /nfs/dbraw/zinc/76/12/52/347761252.db2.gz QUBYKHNKLUNNKG-ZDUSSCGKSA-N 1 0 277.368 2.429 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000611510166 347788058 /nfs/dbraw/zinc/78/80/58/347788058.db2.gz BIMCTFFKROORKT-VHSXEESVSA-N 1 0 267.354 2.187 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[NH2+]1 ZINC000086470136 179300047 /nfs/dbraw/zinc/30/00/47/179300047.db2.gz JLCGGIOJERSNHI-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@H](F)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872613 219232885 /nfs/dbraw/zinc/23/28/85/219232885.db2.gz FCSYHBWEWLHABR-QWRGUYRKSA-N 1 0 282.319 2.224 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC(C)(C)C1 ZINC000351927864 219250944 /nfs/dbraw/zinc/25/09/44/219250944.db2.gz RWGFNKOHEPAVSE-GFCCVEGCSA-N 1 0 296.371 2.071 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC(C)(C)C1 ZINC000351929332 219251197 /nfs/dbraw/zinc/25/11/97/219251197.db2.gz WKIPBHUVLKFDEE-LBPRGKRZSA-N 1 0 296.371 2.071 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000614656483 348226185 /nfs/dbraw/zinc/22/61/85/348226185.db2.gz CZGPROTXHPPWFS-PKXJPQMGSA-N 1 0 274.320 2.065 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614419970 348197515 /nfs/dbraw/zinc/19/75/15/348197515.db2.gz KBJPILPUZAADDN-NWDGAFQWSA-N 1 0 287.323 2.194 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000351936775 219256142 /nfs/dbraw/zinc/25/61/42/219256142.db2.gz QUCYQKWJYNASDW-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1nc(N[C@H](C)C[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000450449677 282615778 /nfs/dbraw/zinc/61/57/78/282615778.db2.gz ATZXMZOVPGAZCX-LLVKDONJSA-N 1 0 293.371 2.370 20 5 CEBDRO CC(C)[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1C ZINC000617000656 348604649 /nfs/dbraw/zinc/60/46/49/348604649.db2.gz BQRMJWASBAVEDG-NSHDSACASA-N 1 0 269.370 2.433 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252624 348658358 /nfs/dbraw/zinc/65/83/58/348658358.db2.gz WPJOWUZQGSGUCV-YMTOWFKASA-N 1 0 291.307 2.393 20 5 CEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000618675748 349014632 /nfs/dbraw/zinc/01/46/32/349014632.db2.gz YPSFCUMRDUWKDF-UHFFFAOYSA-N 1 0 255.343 2.410 20 5 CEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccsc1 ZINC000619783599 349236161 /nfs/dbraw/zinc/23/61/61/349236161.db2.gz UDKMHXVOWYEDAA-JTQLQIEISA-N 1 0 293.348 2.169 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412069611 233329735 /nfs/dbraw/zinc/32/97/35/233329735.db2.gz FVAOVTCWTNWAMS-GXTWGEPZSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412095723 233338846 /nfs/dbraw/zinc/33/88/46/233338846.db2.gz TYHRPOSGXRYLRP-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000412100333 233339912 /nfs/dbraw/zinc/33/99/12/233339912.db2.gz XMYUBJCMBGRIGL-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](CNCc1csc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000105488324 186060945 /nfs/dbraw/zinc/06/09/45/186060945.db2.gz GAXVQPQYHJRZIN-SECBINFHSA-N 1 0 269.370 2.229 20 5 CEBDRO COC1CC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000352209988 219362833 /nfs/dbraw/zinc/36/28/33/219362833.db2.gz DTLRZBXDNLWQTJ-UHFFFAOYSA-N 1 0 280.324 2.083 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107686852 186184797 /nfs/dbraw/zinc/18/47/97/186184797.db2.gz BKDPDUKMDBGKBW-ZDUSSCGKSA-N 1 0 294.351 2.332 20 5 CEBDRO COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000109122303 186244158 /nfs/dbraw/zinc/24/41/58/186244158.db2.gz OAZPWNSVQDZFCL-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO CC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000109504639 186257204 /nfs/dbraw/zinc/25/72/04/186257204.db2.gz UJCDDKFQEBBWIW-QMMMGPOBSA-N 1 0 262.269 2.315 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000109705501 186268976 /nfs/dbraw/zinc/26/89/76/186268976.db2.gz GFYCNFTWKXLVLE-LLVKDONJSA-N 1 0 279.340 2.006 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000109804613 186273275 /nfs/dbraw/zinc/27/32/75/186273275.db2.gz VPRFPPCVDZPARI-CQSZACIVSA-N 1 0 263.341 2.121 20 5 CEBDRO COc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150175 363038415 /nfs/dbraw/zinc/03/84/15/363038415.db2.gz NYHRFULBFJIPEZ-CYBMUJFWSA-N 1 0 293.367 2.307 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070173260 363046973 /nfs/dbraw/zinc/04/69/73/363046973.db2.gz QQPNKTACXGNCOF-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000070149089 363036319 /nfs/dbraw/zinc/03/63/19/363036319.db2.gz QQSBYAZQBXCJRS-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO COc1ccc(CN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000120357336 186895198 /nfs/dbraw/zinc/89/51/98/186895198.db2.gz SZXRLSPHKDSPBR-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122421085 187031271 /nfs/dbraw/zinc/03/12/71/187031271.db2.gz VIDSNXZHOPATRX-FZMZJTMJSA-N 1 0 293.367 2.033 20 5 CEBDRO CC[C@H]([NH2+][C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122885800 187057494 /nfs/dbraw/zinc/05/74/94/187057494.db2.gz PWEGMBBSFCJUNJ-GWCFXTLKSA-N 1 0 252.314 2.406 20 5 CEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122909824 187059080 /nfs/dbraw/zinc/05/90/80/187059080.db2.gz RTPZKLCHXLNZHA-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000122915113 187059298 /nfs/dbraw/zinc/05/92/98/187059298.db2.gz GQFUMXAAPMSMEH-SMDDNHRTSA-N 1 0 291.351 2.150 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123684310 187104063 /nfs/dbraw/zinc/10/40/63/187104063.db2.gz CQWCCLYYAWPQAZ-YPMHNXCESA-N 1 0 291.351 2.150 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070574051 363096490 /nfs/dbraw/zinc/09/64/90/363096490.db2.gz BOOZRVRKNOZIPI-NXEZZACHSA-N 1 0 263.297 2.051 20 5 CEBDRO CCC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000291961393 198117622 /nfs/dbraw/zinc/11/76/22/198117622.db2.gz RHOYJRAHSMEABI-LBPRGKRZSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000292051833 198146651 /nfs/dbraw/zinc/14/66/51/198146651.db2.gz JGYIUSSJVFCKBD-SECBINFHSA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000073000314 363190882 /nfs/dbraw/zinc/19/08/82/363190882.db2.gz CDBRUIFNZYXITQ-LBPRGKRZSA-N 1 0 278.356 2.440 20 5 CEBDRO CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271603871 191236912 /nfs/dbraw/zinc/23/69/12/191236912.db2.gz ITPGXBWQNOGDEF-NWDGAFQWSA-N 1 0 299.371 2.216 20 5 CEBDRO COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000271649191 191259229 /nfs/dbraw/zinc/25/92/29/191259229.db2.gz ITQWRSWIXPKOCA-NSHDSACASA-N 1 0 290.323 2.151 20 5 CEBDRO Cn1cc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000292261053 198221572 /nfs/dbraw/zinc/22/15/72/198221572.db2.gz YPDSKAIJCWJPMH-UHFFFAOYSA-N 1 0 288.351 2.396 20 5 CEBDRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000153544552 188088664 /nfs/dbraw/zinc/08/86/64/188088664.db2.gz ZFAGNHSNXBKMQR-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000153926784 188112867 /nfs/dbraw/zinc/11/28/67/188112867.db2.gz ICKUIRQHFVSYEA-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000271710164 191285499 /nfs/dbraw/zinc/28/54/99/191285499.db2.gz JKNHQQMMUJXDPO-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000132145756 366121106 /nfs/dbraw/zinc/12/11/06/366121106.db2.gz CXPRLYSSZRKQTH-YPMHNXCESA-N 1 0 264.325 2.152 20 5 CEBDRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550056 283031082 /nfs/dbraw/zinc/03/10/82/283031082.db2.gz QRKSKKNTFXHHDZ-JSGCOSHPSA-N 1 0 291.351 2.038 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451571057 283038126 /nfs/dbraw/zinc/03/81/26/283038126.db2.gz POCKYNBOLDCGKK-FZMZJTMJSA-N 1 0 294.351 2.460 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451947482 283149635 /nfs/dbraw/zinc/14/96/35/283149635.db2.gz PBMSKTMRKYFRIY-NILFDRSVSA-N 1 0 294.351 2.358 20 5 CEBDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000134484900 366329338 /nfs/dbraw/zinc/32/93/38/366329338.db2.gz VGWGMARXPZRNGX-UHFFFAOYSA-N 1 0 295.339 2.209 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC000575816932 366363857 /nfs/dbraw/zinc/36/38/57/366363857.db2.gz ZFNURKYKIBWWHR-UHFFFAOYSA-N 1 0 267.329 2.356 20 5 CEBDRO CCOc1cccc(NCCCC[NH3+])c1[N+](=O)[O-] ZINC000134894141 366370058 /nfs/dbraw/zinc/37/00/58/366370058.db2.gz SGZHITCPUZCMFA-UHFFFAOYSA-N 1 0 253.302 2.144 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000414653361 236433599 /nfs/dbraw/zinc/43/35/99/236433599.db2.gz FEEWDTWJMSAPKW-GFCCVEGCSA-N 1 0 292.339 2.165 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000414665154 236437630 /nfs/dbraw/zinc/43/76/30/236437630.db2.gz UQHTVCFVGSYDOM-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135209058 366408794 /nfs/dbraw/zinc/40/87/94/366408794.db2.gz PRBANPQFMKZWBA-JQWIXIFHSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135203917 366409118 /nfs/dbraw/zinc/40/91/18/366409118.db2.gz ZEUKLMHNXDNVEU-WCBMZHEXSA-N 1 0 256.327 2.171 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCCC[NH+]1CCCC1 ZINC000338759603 366507478 /nfs/dbraw/zinc/50/74/78/366507478.db2.gz VVSDBWMNZSEOEJ-UHFFFAOYSA-N 1 0 292.383 2.398 20 5 CEBDRO CN(Cc1cscn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001819 366533559 /nfs/dbraw/zinc/53/35/59/366533559.db2.gz WECKGCJUEZEBKT-CYBMUJFWSA-N 1 0 293.348 2.217 20 5 CEBDRO C[N@@H+](Cc1ccco1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136813897 366527573 /nfs/dbraw/zinc/52/75/73/366527573.db2.gz VKOIKCYSYUWASD-AWEZNQCLSA-N 1 0 276.292 2.353 20 5 CEBDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296597336 199941282 /nfs/dbraw/zinc/94/12/82/199941282.db2.gz YFBDAVYCBLMVNH-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000137111324 366535064 /nfs/dbraw/zinc/53/50/64/366535064.db2.gz YNNFOKHDIKNGFV-GFCCVEGCSA-N 1 0 291.351 2.104 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(C2CC2)CC1 ZINC000297332413 200151751 /nfs/dbraw/zinc/15/17/51/200151751.db2.gz CWFMCBBTDAVOIB-UHFFFAOYSA-N 1 0 289.379 2.354 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC000453124813 283481029 /nfs/dbraw/zinc/48/10/29/283481029.db2.gz USSHVTLTUPGWNC-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000148770175 366583312 /nfs/dbraw/zinc/58/33/12/366583312.db2.gz LQQAKVYSCMZUKZ-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO CCOc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138498 366600740 /nfs/dbraw/zinc/60/07/40/366600740.db2.gz SMTABLUKZHPGIA-KBPBESRZSA-N 1 0 294.351 2.243 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000579345296 366630253 /nfs/dbraw/zinc/63/02/53/366630253.db2.gz WIFUFNXTVIENED-SNVBAGLBSA-N 1 0 292.257 2.040 20 5 CEBDRO CCOc1cc(CN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000297955996 200308981 /nfs/dbraw/zinc/30/89/81/200308981.db2.gz UAKHVVAAGXKWRH-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000151701448 366659426 /nfs/dbraw/zinc/65/94/26/366659426.db2.gz LBFIYXQVOMRZCE-IUODEOHRSA-N 1 0 294.351 2.441 20 5 CEBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H]2CCCC[N@H+]2C(C)C)c1=O ZINC000339114705 366660030 /nfs/dbraw/zinc/66/00/30/366660030.db2.gz UGPFJOOKGNWDKH-ZDUSSCGKSA-N 1 0 293.367 2.328 20 5 CEBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453374241 283541327 /nfs/dbraw/zinc/54/13/27/283541327.db2.gz VZZITKWFPOBJPQ-RRFJBIMHSA-N 1 0 294.351 2.439 20 5 CEBDRO CCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081519784 363722477 /nfs/dbraw/zinc/72/24/77/363722477.db2.gz OHXVVVSACTVQRI-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392110 283549055 /nfs/dbraw/zinc/54/90/55/283549055.db2.gz ZDAYECKEQWJACW-YGRLFVJLSA-N 1 0 291.351 2.086 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)NC ZINC000453405978 283557748 /nfs/dbraw/zinc/55/77/48/283557748.db2.gz OYHSGTDYQGIGRG-CMPLNLGQSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000178224024 189098989 /nfs/dbraw/zinc/09/89/89/189098989.db2.gz QCPNXFZUTQKQQJ-LBPRGKRZSA-N 1 0 293.367 2.326 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178360858 189109835 /nfs/dbraw/zinc/10/98/35/189109835.db2.gz OVOOOAXVMVFDDS-SECBINFHSA-N 1 0 256.327 2.125 20 5 CEBDRO C[NH2+]CCCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539739 189125745 /nfs/dbraw/zinc/12/57/45/189125745.db2.gz XWZJZEHNZIQIKO-UHFFFAOYSA-N 1 0 293.367 2.033 20 5 CEBDRO CC(C)(C)[NH2+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342121166 216225559 /nfs/dbraw/zinc/22/55/59/216225559.db2.gz SASKTXOGKOQJIU-UHFFFAOYSA-N 1 0 295.368 2.400 20 5 CEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)O)cc1[N+](=O)[O-] ZINC000179579217 189204272 /nfs/dbraw/zinc/20/42/72/189204272.db2.gz KPLCJVMIDMURIY-UWVGGRQHSA-N 1 0 268.313 2.025 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)C(C)C ZINC000342220865 216267201 /nfs/dbraw/zinc/26/72/01/216267201.db2.gz KIXIVMAVDOOYBJ-CYBMUJFWSA-N 1 0 266.341 2.257 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000001851494 361223537 /nfs/dbraw/zinc/22/35/37/361223537.db2.gz MVDXUJGLVDWFHT-UHFFFAOYSA-N 1 0 279.340 2.492 20 5 CEBDRO CC(C)[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H](C)[NH3+] ZINC000579826000 366708269 /nfs/dbraw/zinc/70/82/69/366708269.db2.gz YVDGBWMVKNMWFH-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554282 189300451 /nfs/dbraw/zinc/30/04/51/189300451.db2.gz STVQXKLULSQVOY-CYBMUJFWSA-N 1 0 294.351 2.207 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339114 366768595 /nfs/dbraw/zinc/76/85/95/366768595.db2.gz OHAWVBNLFIYANM-GBIKHYSHSA-N 1 0 284.381 2.358 20 5 CEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282632 291283481 /nfs/dbraw/zinc/28/34/81/291283481.db2.gz FCLWGERFRGXYSS-RYUDHWBXSA-N 1 0 276.340 2.053 20 5 CEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCC[NH+](C)C ZINC000342534651 216387302 /nfs/dbraw/zinc/38/73/02/216387302.db2.gz FQMFBXNQRPOWTO-UHFFFAOYSA-N 1 0 298.364 2.344 20 5 CEBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000030144080 361695664 /nfs/dbraw/zinc/69/56/64/361695664.db2.gz HDZDLQBBKYMRGM-LLVKDONJSA-N 1 0 291.351 2.316 20 5 CEBDRO C[N@H+](CCOCC1CC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000088600914 363910805 /nfs/dbraw/zinc/91/08/05/363910805.db2.gz IVLFHBNOEZBHOQ-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000088147790 363879419 /nfs/dbraw/zinc/87/94/19/363879419.db2.gz QGZLCEUCGQGZHR-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089511973 363975097 /nfs/dbraw/zinc/97/50/97/363975097.db2.gz UJSUACSTYSRIIE-OCCSQVGLSA-N 1 0 277.368 2.415 20 5 CEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530029 364062668 /nfs/dbraw/zinc/06/26/68/364062668.db2.gz ZWKLOCOFPIENEB-VXGBXAGGSA-N 1 0 279.340 2.019 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000094949202 364313296 /nfs/dbraw/zinc/31/32/96/364313296.db2.gz RKRDTHYPMSVJFJ-LBPRGKRZSA-N 1 0 266.341 2.401 20 5 CEBDRO Cc1sc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000101953969 364580140 /nfs/dbraw/zinc/58/01/40/364580140.db2.gz LBNOTUZXKZEMBD-UHFFFAOYSA-N 1 0 285.369 2.035 20 5 CEBDRO Cc1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000106365899 364705379 /nfs/dbraw/zinc/70/53/79/364705379.db2.gz OJAZNTJDIGLGSR-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000111404541 364734677 /nfs/dbraw/zinc/73/46/77/364734677.db2.gz WPCDALRIAKHFDB-AWEZNQCLSA-N 1 0 266.341 2.482 20 5 CEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112310424 364791576 /nfs/dbraw/zinc/79/15/76/364791576.db2.gz HGWYCYIRPBSLER-UHFFFAOYSA-N 1 0 279.340 2.057 20 5 CEBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000112675110 364825550 /nfs/dbraw/zinc/82/55/50/364825550.db2.gz VNOZLYQAMHSXQX-UHFFFAOYSA-N 1 0 252.314 2.188 20 5 CEBDRO CSC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583317361 367031069 /nfs/dbraw/zinc/03/10/69/367031069.db2.gz FTEWAVMUGOPBGG-SNVBAGLBSA-N 1 0 297.380 2.265 20 5 CEBDRO Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000161523259 367093993 /nfs/dbraw/zinc/09/39/93/367093993.db2.gz NBAJEZMLYDPVRO-WCQYABFASA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072454 367158541 /nfs/dbraw/zinc/15/85/41/367158541.db2.gz SXWLYHJHADQGRU-QWRGUYRKSA-N 1 0 295.339 2.181 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597922508 367209294 /nfs/dbraw/zinc/20/92/94/367209294.db2.gz FEDFCVCWNIFRBJ-NSHDSACASA-N 1 0 291.351 2.197 20 5 CEBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000341288106 367269830 /nfs/dbraw/zinc/26/98/30/367269830.db2.gz ZNZXZPAQOMFOSR-GXTWGEPZSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H](O)C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342822087 367556272 /nfs/dbraw/zinc/55/62/72/367556272.db2.gz QCYTXYMPGSGWQK-JYKYSHPRSA-N 1 0 264.325 2.357 20 5 CEBDRO C[C@@H](O)C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342822086 367556409 /nfs/dbraw/zinc/55/64/09/367556409.db2.gz QCYTXYMPGSGWQK-BPOWMSRESA-N 1 0 264.325 2.357 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343063703 367654006 /nfs/dbraw/zinc/65/40/06/367654006.db2.gz UZTWQVCJSZCBEG-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172621691 367789809 /nfs/dbraw/zinc/78/98/09/367789809.db2.gz ZSCJTPTVTUVVKY-ONGXEEELSA-N 1 0 297.380 2.211 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343530555 367867766 /nfs/dbraw/zinc/86/77/66/367867766.db2.gz ONSOXPPPGAASDR-FRRDWIJNSA-N 1 0 294.351 2.065 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343451048 367822134 /nfs/dbraw/zinc/82/21/34/367822134.db2.gz NTUONWMZYJCZRP-BXUZGUMPSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000173482230 367913342 /nfs/dbraw/zinc/91/33/42/367913342.db2.gz MSNPULWALLADAK-NSHDSACASA-N 1 0 291.351 2.116 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343567404 367887660 /nfs/dbraw/zinc/88/76/60/367887660.db2.gz LKJWBXYAIRJXIP-AWEZNQCLSA-N 1 0 291.351 2.199 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346053 367899029 /nfs/dbraw/zinc/89/90/29/367899029.db2.gz IBZPLINGSPAJEM-WFASDCNBSA-N 1 0 296.367 2.279 20 5 CEBDRO Cc1cc(N(C)CC[NH+](C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000345081464 368149435 /nfs/dbraw/zinc/14/94/35/368149435.db2.gz ODXZAYRXWQAHGC-UHFFFAOYSA-N 1 0 288.351 2.449 20 5 CEBDRO C[NH2+]CCSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000572599139 299382941 /nfs/dbraw/zinc/38/29/41/299382941.db2.gz PIPMCIJTNJPVJU-UHFFFAOYSA-N 1 0 267.310 2.189 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@H+](C2CC2)C2CCCC2)n1 ZINC000176205598 368211417 /nfs/dbraw/zinc/21/14/17/368211417.db2.gz AJCJTHZCFOUGEZ-UHFFFAOYSA-N 1 0 264.329 2.198 20 5 CEBDRO C[C@@H](c1ccco1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176220071 368214123 /nfs/dbraw/zinc/21/41/23/368214123.db2.gz JNGYZIZCAUKAJO-JTQLQIEISA-N 1 0 264.285 2.077 20 5 CEBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000181458721 368456823 /nfs/dbraw/zinc/45/68/23/368456823.db2.gz CPULEYKJCVCFFT-CYBMUJFWSA-N 1 0 266.341 2.482 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693082 368774397 /nfs/dbraw/zinc/77/43/97/368774397.db2.gz KRWMZBROZUUYKF-MDUKQBBOSA-N 1 0 275.352 2.277 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CC(O)C1 ZINC000276022032 193191675 /nfs/dbraw/zinc/19/16/75/193191675.db2.gz KOWMJVQDMAZTDF-UNXYVOJBSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348177094 368934629 /nfs/dbraw/zinc/93/46/29/368934629.db2.gz HAYYWTJHLMTERE-STQMWFEESA-N 1 0 292.383 2.395 20 5 CEBDRO Cc1cc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348181190 368937739 /nfs/dbraw/zinc/93/77/39/368937739.db2.gz NAHMSGAJFOOBOA-STQMWFEESA-N 1 0 292.383 2.395 20 5 CEBDRO Cc1nc(NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348346894 369011569 /nfs/dbraw/zinc/01/15/69/369011569.db2.gz CSZOOLVCRACCRU-VXGBXAGGSA-N 1 0 292.383 2.395 20 5 CEBDRO C[C@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187991664 369270178 /nfs/dbraw/zinc/27/01/78/369270178.db2.gz VVWLSXJVJKYLMA-NSHDSACASA-N 1 0 291.351 2.316 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349238863 369274321 /nfs/dbraw/zinc/27/43/21/369274321.db2.gz HJGDHOWHLVLSOH-JTQLQIEISA-N 1 0 261.281 2.476 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000350047395 369491387 /nfs/dbraw/zinc/49/13/87/369491387.db2.gz HZSMFKIEHRPHOM-OCCSQVGLSA-N 1 0 277.368 2.476 20 5 CEBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000190931202 369662431 /nfs/dbraw/zinc/66/24/31/369662431.db2.gz IWZBWTHAUYXRQO-ZJUUUORDSA-N 1 0 256.327 2.313 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(C)nc1 ZINC000192587142 369830874 /nfs/dbraw/zinc/83/08/74/369830874.db2.gz SHXGHGGSIZGXBY-UHFFFAOYSA-N 1 0 289.339 2.478 20 5 CEBDRO COc1cc(C[N@H+](CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000352545582 369781683 /nfs/dbraw/zinc/78/16/83/369781683.db2.gz KBSRENZJLWTBDV-UHFFFAOYSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000352902987 369942972 /nfs/dbraw/zinc/94/29/72/369942972.db2.gz ODCVLABKDNKFCQ-MLGOLLRUSA-N 1 0 289.379 2.210 20 5 CEBDRO CCC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000195212172 370115680 /nfs/dbraw/zinc/11/56/80/370115680.db2.gz ZSGPBIRSKOAKLB-UHFFFAOYSA-N 1 0 290.367 2.095 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000354043252 370192858 /nfs/dbraw/zinc/19/28/58/370192858.db2.gz XQGGRLZCAGDEOF-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC000223245436 370262369 /nfs/dbraw/zinc/26/23/69/370262369.db2.gz LKJYOYMNZGPXRB-UHFFFAOYSA-N 1 0 281.381 2.364 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000227306870 370366442 /nfs/dbraw/zinc/36/64/42/370366442.db2.gz WGUXXUDNBARYCA-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NCCN1CCSCC1 ZINC000226229972 370330728 /nfs/dbraw/zinc/33/07/28/370330728.db2.gz HJVMLNDTMZPOTP-UHFFFAOYSA-N 1 0 285.344 2.195 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226598843 370349386 /nfs/dbraw/zinc/34/93/86/370349386.db2.gz WONIJSKHFRHKHI-ZWKOPEQDSA-N 1 0 264.325 2.405 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688506 370464580 /nfs/dbraw/zinc/46/45/80/370464580.db2.gz PHEHQGKSCQISJE-ZDUSSCGKSA-N 1 0 266.341 2.400 20 5 CEBDRO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000235138335 370556710 /nfs/dbraw/zinc/55/67/10/370556710.db2.gz WKLJPCBVYZFTAK-ZETCQYMHSA-N 1 0 292.261 2.371 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000235619186 370570271 /nfs/dbraw/zinc/57/02/71/370570271.db2.gz UDJSFLSGEIDLIX-HZMBPMFUSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000235703863 370574664 /nfs/dbraw/zinc/57/46/64/370574664.db2.gz GUUOBBOKZFQLQP-QWRGUYRKSA-N 1 0 277.324 2.230 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000235908467 370580927 /nfs/dbraw/zinc/58/09/27/370580927.db2.gz GICISIPKLSQGQW-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])s3)n2)CCCC1 ZINC000236176986 370584026 /nfs/dbraw/zinc/58/40/26/370584026.db2.gz LGYVLWXCKHGNBB-UHFFFAOYSA-N 1 0 280.309 2.434 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303208 371003772 /nfs/dbraw/zinc/00/37/72/371003772.db2.gz AVDANHJGBWNWBP-IAQYHMDHSA-N 1 0 289.379 2.476 20 5 CEBDRO COc1cccc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000358654264 371157788 /nfs/dbraw/zinc/15/77/88/371157788.db2.gz SRQNRYJFBOADHD-GHMZBOCLSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248345686 371176837 /nfs/dbraw/zinc/17/68/37/371176837.db2.gz NBPZDCSCPSBVLU-RYUDHWBXSA-N 1 0 291.351 2.288 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248885888 371264283 /nfs/dbraw/zinc/26/42/83/371264283.db2.gz SCYJORMLNFLHEV-GHMZBOCLSA-N 1 0 280.324 2.397 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000359040858 371313836 /nfs/dbraw/zinc/31/38/36/371313836.db2.gz INXIIPOLKSUCEJ-AWEZNQCLSA-N 1 0 263.341 2.169 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(Cl)c1 ZINC000252880428 371486564 /nfs/dbraw/zinc/48/65/64/371486564.db2.gz SPOAWTOSWUHZQN-DUFXMDAXSA-N 1 0 296.754 2.451 20 5 CEBDRO CC1(C)[C@@H](O)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361080787 371640130 /nfs/dbraw/zinc/64/01/30/371640130.db2.gz MBYWSRNMNGSCCY-DYLGSBMWSA-N 1 0 276.336 2.453 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261621387 371681886 /nfs/dbraw/zinc/68/18/86/371681886.db2.gz AAEYHVAFSZPHQP-YGRLFVJLSA-N 1 0 281.331 2.436 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261644123 371690655 /nfs/dbraw/zinc/69/06/55/371690655.db2.gz CQEOPOHMBBPQQP-QWRGUYRKSA-N 1 0 281.331 2.293 20 5 CEBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353333768 220031102 /nfs/dbraw/zinc/03/11/02/220031102.db2.gz SXWUOAMQIULTAA-GFCCVEGCSA-N 1 0 281.381 2.325 20 5 CEBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000268852207 372255167 /nfs/dbraw/zinc/25/51/67/372255167.db2.gz HMKLHTFRUBUWHI-SWLSCSKDSA-N 1 0 291.395 2.456 20 5 CEBDRO CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000268899719 372278354 /nfs/dbraw/zinc/27/83/54/372278354.db2.gz QVTBDMXDSNYQNS-GFCCVEGCSA-N 1 0 299.758 2.205 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344444419 217193253 /nfs/dbraw/zinc/19/32/53/217193253.db2.gz YGORPFKMTRMLIL-NSHDSACASA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000344408266 217184822 /nfs/dbraw/zinc/18/48/22/217184822.db2.gz KPZIZQSZSCLFOK-ZDTYVGOBSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513984 220130405 /nfs/dbraw/zinc/13/04/05/220130405.db2.gz SVQNJZSASNGIKU-ZWNOBZJWSA-N 1 0 264.325 2.264 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[S@@](C)=O ZINC000344816573 217320724 /nfs/dbraw/zinc/32/07/24/217320724.db2.gz RULBQXPSAHZQHV-GPSKLBJUSA-N 1 0 296.392 2.355 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000344828921 217324556 /nfs/dbraw/zinc/32/45/56/217324556.db2.gz MTOZNZNXGRLVEB-UHFFFAOYSA-N 1 0 285.369 2.070 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)O ZINC000344835889 217326946 /nfs/dbraw/zinc/32/69/46/217326946.db2.gz VZMVNYZZVTXUSK-JATZPVMKSA-N 1 0 264.325 2.359 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271189130 373172572 /nfs/dbraw/zinc/17/25/72/373172572.db2.gz OQGSQZLXEUVHHS-CYBMUJFWSA-N 1 0 264.325 2.372 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[S@](C)=O ZINC000344849998 217333475 /nfs/dbraw/zinc/33/34/75/217333475.db2.gz HABNPLQMQPCLJF-JTPHSUOKSA-N 1 0 296.392 2.356 20 5 CEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344868297 217338611 /nfs/dbraw/zinc/33/86/11/217338611.db2.gz VYSMMGCEAIGQFZ-UHFFFAOYSA-N 1 0 297.330 2.148 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCO ZINC000271153207 373146872 /nfs/dbraw/zinc/14/68/72/373146872.db2.gz QXHCQCQKJFGISY-LLVKDONJSA-N 1 0 284.381 2.438 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCCCC[C@H]32)c1 ZINC000369454420 373422015 /nfs/dbraw/zinc/42/20/15/373422015.db2.gz ZZPMUAMFLQXUMQ-GXTWGEPZSA-N 1 0 278.356 2.446 20 5 CEBDRO CC(C)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262107617 220222801 /nfs/dbraw/zinc/22/28/01/220222801.db2.gz WDZFFMXLNPHYFM-BXUZGUMPSA-N 1 0 277.368 2.497 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272664058 373606840 /nfs/dbraw/zinc/60/68/40/373606840.db2.gz RXIYMNBIAIEJCE-XHDPSFHLSA-N 1 0 293.342 2.260 20 5 CEBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000371000255 373769421 /nfs/dbraw/zinc/76/94/21/373769421.db2.gz VJBWJLBJNKARTC-AWEZNQCLSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000274304687 373872202 /nfs/dbraw/zinc/87/22/02/373872202.db2.gz VBQZUZXRODJEAM-LLVKDONJSA-N 1 0 294.355 2.283 20 5 CEBDRO COc1ccc(CN(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000274468152 373934073 /nfs/dbraw/zinc/93/40/73/373934073.db2.gz JDAGXEASZLEFQV-UHFFFAOYSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274812641 374059188 /nfs/dbraw/zinc/05/91/88/374059188.db2.gz RCVIUAPMBMNUPR-SNVBAGLBSA-N 1 0 252.314 2.406 20 5 CEBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000275168272 374175711 /nfs/dbraw/zinc/17/57/11/374175711.db2.gz ALSVEIKDTPPEBR-QLFBSQMISA-N 1 0 294.351 2.175 20 5 CEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc([N+](=O)[O-])c1 ZINC000373928762 374450155 /nfs/dbraw/zinc/45/01/55/374450155.db2.gz HKSHOVGTYGOABU-MNOVXSKESA-N 1 0 295.364 2.013 20 5 CEBDRO C[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251265562 189969449 /nfs/dbraw/zinc/96/94/49/189969449.db2.gz MOMMWIHBACBXEC-VXGBXAGGSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000376487942 374706824 /nfs/dbraw/zinc/70/68/24/374706824.db2.gz ZIXKROWDRCJMFM-IUODEOHRSA-N 1 0 275.352 2.434 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCO2)CC1 ZINC000377121158 374794523 /nfs/dbraw/zinc/79/45/23/374794523.db2.gz SSVVPSOXQHERMU-UHFFFAOYSA-N 1 0 292.335 2.229 20 5 CEBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385911591 375248362 /nfs/dbraw/zinc/24/83/62/375248362.db2.gz RCAHKWDARZRECY-GXSJLCMTSA-N 1 0 284.743 2.451 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000386246784 375255248 /nfs/dbraw/zinc/25/52/48/375255248.db2.gz IPZPCVZSBHGLSZ-CHWSQXEVSA-N 1 0 264.325 2.188 20 5 CEBDRO CO[C@H]([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211702 375284352 /nfs/dbraw/zinc/28/43/52/375284352.db2.gz GJKHURMVIHIDRJ-IINYFYTJSA-N 1 0 264.325 2.498 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000408308457 375449292 /nfs/dbraw/zinc/44/92/92/375449292.db2.gz ITJSYKGXSREQDW-MNOVXSKESA-N 1 0 264.329 2.093 20 5 CEBDRO CC[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000286219126 375876394 /nfs/dbraw/zinc/87/63/94/375876394.db2.gz CXDXOJDHFBBPEH-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414659872 375906321 /nfs/dbraw/zinc/90/63/21/375906321.db2.gz NMFFJMWJDVYAOA-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO C[C@@]1(F)C[NH2+]CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414770813 375959059 /nfs/dbraw/zinc/95/90/59/375959059.db2.gz PLKYYVCSHQVGFL-ZDTYVGOBSA-N 1 0 293.342 2.241 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286428167 375950114 /nfs/dbraw/zinc/95/01/14/375950114.db2.gz IRGJOQMGMSNDMM-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CCN(C)C)cccc1[N+](=O)[O-] ZINC000287216165 376175843 /nfs/dbraw/zinc/17/58/43/376175843.db2.gz XFNJWCAEVXNCTP-LLVKDONJSA-N 1 0 251.330 2.115 20 5 CEBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000263748979 190076812 /nfs/dbraw/zinc/07/68/12/190076812.db2.gz SGALQCOBEILLRR-JTQLQIEISA-N 1 0 288.307 2.487 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311401080 376666798 /nfs/dbraw/zinc/66/67/98/376666798.db2.gz FXQOSPOKHJUKEJ-CYBMUJFWSA-N 1 0 270.304 2.375 20 5 CEBDRO COCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000264568032 190119166 /nfs/dbraw/zinc/11/91/66/190119166.db2.gz GUJGROZRZLGJRB-JTQLQIEISA-N 1 0 299.758 2.381 20 5 CEBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602386 376678378 /nfs/dbraw/zinc/67/83/78/376678378.db2.gz CVWUROPSTUSCJR-QMTHXVAHSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000311987096 376698317 /nfs/dbraw/zinc/69/83/17/376698317.db2.gz RRYPVPSUMHSUQO-ZDUSSCGKSA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000313685796 376749691 /nfs/dbraw/zinc/74/96/91/376749691.db2.gz QBNPQRHBDUJQNJ-KBPBESRZSA-N 1 0 280.299 2.391 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(OC(C)(C)C)C1 ZINC000421003431 376777717 /nfs/dbraw/zinc/77/77/17/376777717.db2.gz HLTSLUOIDIGENO-UHFFFAOYSA-N 1 0 296.371 2.069 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264669454 190127440 /nfs/dbraw/zinc/12/74/40/190127440.db2.gz IZQBZVJRPDNPGQ-CQSZACIVSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1cnc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290591545 376846174 /nfs/dbraw/zinc/84/61/74/376846174.db2.gz CZUSWGVDUZLLAF-LLVKDONJSA-N 1 0 266.345 2.439 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291020408 377035420 /nfs/dbraw/zinc/03/54/20/377035420.db2.gz AFVDCGCKQZOMOZ-CQSZACIVSA-N 1 0 272.308 2.238 20 5 CEBDRO CCc1ccc([C@H](NCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423182937 377093985 /nfs/dbraw/zinc/09/39/85/377093985.db2.gz KMXTWDSTQMWVIQ-OAHLLOKOSA-N 1 0 289.335 2.388 20 5 CEBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423209816 377127442 /nfs/dbraw/zinc/12/74/42/377127442.db2.gz VVJJCHCQDNRYPV-CMPLNLGQSA-N 1 0 279.340 2.006 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000291314030 377171991 /nfs/dbraw/zinc/17/19/91/377171991.db2.gz TZJWNNRTIFRXKE-UHFFFAOYSA-N 1 0 254.334 2.159 20 5 CEBDRO Cc1ccc([C@H](C)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423269701 377188901 /nfs/dbraw/zinc/18/89/01/377188901.db2.gz FTNILFLBFWISRW-GXFFZTMASA-N 1 0 263.341 2.291 20 5 CEBDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423270461 377189323 /nfs/dbraw/zinc/18/93/23/377189323.db2.gz WTZROEROJMLDLQ-ZWNOBZJWSA-N 1 0 251.330 2.229 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000563420117 377219277 /nfs/dbraw/zinc/21/92/77/377219277.db2.gz LQEFMCAGMBYIQH-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000293239526 377486579 /nfs/dbraw/zinc/48/65/79/377486579.db2.gz SPXQKHGQOOLIRO-CYBMUJFWSA-N 1 0 294.351 2.068 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](CO)CC1 ZINC000293239532 377486883 /nfs/dbraw/zinc/48/68/83/377486883.db2.gz SPXQKHGQOOLIRO-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000265342064 190175820 /nfs/dbraw/zinc/17/58/20/190175820.db2.gz IQMQOGQVUZPRRB-NSHDSACASA-N 1 0 296.371 2.019 20 5 CEBDRO C[C@H](N[C@@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000565158489 377576577 /nfs/dbraw/zinc/57/65/77/377576577.db2.gz SIJLBXULXUFQAD-UWVGGRQHSA-N 1 0 287.323 2.209 20 5 CEBDRO C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265600321 190192855 /nfs/dbraw/zinc/19/28/55/190192855.db2.gz ZLUMWJAVPQTCPF-VIFPVBQESA-N 1 0 284.747 2.031 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000293883014 377805457 /nfs/dbraw/zinc/80/54/57/377805457.db2.gz VNPKNVWSOQGEGX-ZDUSSCGKSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293998214 377864218 /nfs/dbraw/zinc/86/42/18/377864218.db2.gz CJTDGYPUJDLTBA-NRUUGDAUSA-N 1 0 279.340 2.253 20 5 CEBDRO COC(=O)C1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000295296270 378091198 /nfs/dbraw/zinc/09/11/98/378091198.db2.gz LYHYXDICGTXBGY-UHFFFAOYSA-N 1 0 292.335 2.022 20 5 CEBDRO Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568456 378217000 /nfs/dbraw/zinc/21/70/00/378217000.db2.gz QZEILGWSMMIACY-QWRGUYRKSA-N 1 0 293.371 2.226 20 5 CEBDRO CC(C)[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450301569 378348040 /nfs/dbraw/zinc/34/80/40/378348040.db2.gz JCTOVNWJBPHLSF-UHFFFAOYSA-N 1 0 288.351 2.317 20 5 CEBDRO CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296076597 378410487 /nfs/dbraw/zinc/41/04/87/378410487.db2.gz WZASCFQEWNPNOP-OLUVUFQESA-N 1 0 276.336 2.430 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000296311018 378487118 /nfs/dbraw/zinc/48/71/18/378487118.db2.gz GPFQFPGRUMMALS-HOSYDEDBSA-N 1 0 280.324 2.259 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000450952358 378659698 /nfs/dbraw/zinc/65/96/98/378659698.db2.gz SLMOPGRHLURQQC-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO Cc1cnc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000266211857 190240102 /nfs/dbraw/zinc/24/01/02/190240102.db2.gz NGIOAMFLMLNSRC-LLVKDONJSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000346767176 218010394 /nfs/dbraw/zinc/01/03/94/218010394.db2.gz ICHYBQHXXXEYEL-NWDGAFQWSA-N 1 0 291.351 2.150 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000266226074 190241493 /nfs/dbraw/zinc/24/14/93/190241493.db2.gz RVKREXLVCBMXQG-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413944 378894037 /nfs/dbraw/zinc/89/40/37/378894037.db2.gz WVKGDIUNAGHRRN-XHDPSFHLSA-N 1 0 291.351 2.223 20 5 CEBDRO COc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000266280209 190245527 /nfs/dbraw/zinc/24/55/27/190245527.db2.gz TXGKLONHBXJPSX-ZDUSSCGKSA-N 1 0 289.335 2.054 20 5 CEBDRO C[C@H](C[NH3+])N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000347100487 218120811 /nfs/dbraw/zinc/12/08/11/218120811.db2.gz JVHYKOOOILTQOP-MRVPVSSYSA-N 1 0 257.721 2.027 20 5 CEBDRO Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347109225 218124155 /nfs/dbraw/zinc/12/41/55/218124155.db2.gz MTXNVSSIAGEIKG-ABAIWWIYSA-N 1 0 277.368 2.462 20 5 CEBDRO CCC[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299408220 378986442 /nfs/dbraw/zinc/98/64/42/378986442.db2.gz YNLVLMKEOJFTNB-ZDUSSCGKSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1ccc(CN(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347141419 218135475 /nfs/dbraw/zinc/13/54/75/218135475.db2.gz WIZGCTTYCKJAAG-UHFFFAOYSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000278613576 194069693 /nfs/dbraw/zinc/06/96/93/194069693.db2.gz GQGBVIQEWNSWFM-SECBINFHSA-N 1 0 292.364 2.456 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278619295 194072231 /nfs/dbraw/zinc/07/22/31/194072231.db2.gz JQHFYXXDECUYJV-HIFRSBDPSA-N 1 0 294.351 2.187 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](O)C1 ZINC000347353727 218200548 /nfs/dbraw/zinc/20/05/48/218200548.db2.gz GUJJQKLOGHHHCJ-PINLSGDHSA-N 1 0 276.336 2.455 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000515031277 379176088 /nfs/dbraw/zinc/17/60/88/379176088.db2.gz GDIIIIGUFKCRRD-ZOWXZIJZSA-N 1 0 294.351 2.094 20 5 CEBDRO C[NH+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301367882 379267936 /nfs/dbraw/zinc/26/79/36/379267936.db2.gz RAJJJDPQYGNXCI-UHFFFAOYSA-N 1 0 285.294 2.403 20 5 CEBDRO COc1cc(N2CC[NH+]3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC000302746383 379442217 /nfs/dbraw/zinc/44/22/17/379442217.db2.gz FNLXAUQURNJYSW-UHFFFAOYSA-N 1 0 295.314 2.027 20 5 CEBDRO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000304019031 379510619 /nfs/dbraw/zinc/51/06/19/379510619.db2.gz XNBIYJXRVOEBAI-GFCCVEGCSA-N 1 0 266.341 2.229 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000522316544 379570270 /nfs/dbraw/zinc/57/02/70/379570270.db2.gz JTGDNEJWCGXQHP-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCOCC1 ZINC000267074168 190301815 /nfs/dbraw/zinc/30/18/15/190301815.db2.gz RHVYLDKKOISZQE-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267101071 190303480 /nfs/dbraw/zinc/30/34/80/190303480.db2.gz OZDGZUZXTUYTDH-ZDUSSCGKSA-N 1 0 281.381 2.444 20 5 CEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000457120209 379678020 /nfs/dbraw/zinc/67/80/20/379678020.db2.gz NXIQFNSFDQJUKY-LLVKDONJSA-N 1 0 297.380 2.211 20 5 CEBDRO C[NH+](C)[C@]1(CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267118166 190305297 /nfs/dbraw/zinc/30/52/97/190305297.db2.gz STFUHVUDCOZMQX-ZDUSSCGKSA-N 1 0 281.381 2.444 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)n1 ZINC000489026983 380155137 /nfs/dbraw/zinc/15/51/37/380155137.db2.gz QTSWWWBNCHRPEP-SECBINFHSA-N 1 0 266.345 2.216 20 5 CEBDRO COC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897575 380288123 /nfs/dbraw/zinc/28/81/23/380288123.db2.gz KLLODYKJAMDSIF-AAEUAGOBSA-N 1 0 282.340 2.215 20 5 CEBDRO CNC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268802471 190434041 /nfs/dbraw/zinc/43/40/41/190434041.db2.gz GQBMRZPTCZKKEN-LLVKDONJSA-N 1 0 279.340 2.080 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000279236735 194346597 /nfs/dbraw/zinc/34/65/97/194346597.db2.gz JQFSLBYPRGOGGX-BXUZGUMPSA-N 1 0 294.351 2.244 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000279355949 194398659 /nfs/dbraw/zinc/39/86/59/194398659.db2.gz VVUZPGQUKHDMAY-ZFWWWQNUSA-N 1 0 278.352 2.278 20 5 CEBDRO Cc1ccnc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000280989761 195059174 /nfs/dbraw/zinc/05/91/74/195059174.db2.gz OJKCFTSQFTWRQI-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153683477 285091886 /nfs/dbraw/zinc/09/18/86/285091886.db2.gz HQDQMIBPNGBQKF-LLVKDONJSA-N 1 0 296.758 2.318 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000094368155 285115728 /nfs/dbraw/zinc/11/57/28/285115728.db2.gz UGMKCVBDLDRMHL-ZFWWWQNUSA-N 1 0 292.335 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1 ZINC000264540740 285130247 /nfs/dbraw/zinc/13/02/47/285130247.db2.gz AOYMXWREUCIQJW-ZDUSSCGKSA-N 1 0 276.340 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000350313171 219007100 /nfs/dbraw/zinc/00/71/00/219007100.db2.gz YANQXUCNANVNEY-NSHDSACASA-N 1 0 290.298 2.104 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575869968 299575169 /nfs/dbraw/zinc/57/51/69/299575169.db2.gz SRELMNZXFCTSAU-WDEREUQCSA-N 1 0 293.367 2.114 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000192477850 130454901 /nfs/dbraw/zinc/45/49/01/130454901.db2.gz PDAWNCRSHKYBMP-RKDXNWHRSA-N 1 0 270.358 2.336 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000193366717 130617266 /nfs/dbraw/zinc/61/72/66/130617266.db2.gz XZFHURXYOYLODB-UHFFFAOYSA-N 1 0 266.345 2.177 20 5 CEBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262736293 131257057 /nfs/dbraw/zinc/25/70/57/131257057.db2.gz CPNWGTXWDLWNGO-BDAKNGLRSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420951770 394452382 /nfs/dbraw/zinc/45/23/82/394452382.db2.gz UCDSQZPVKACMJU-MXWKQRLJSA-N 1 0 250.298 2.016 20 5 CEBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955342 394453407 /nfs/dbraw/zinc/45/34/07/394453407.db2.gz LIEQKXSWWGGIPI-WCQYABFASA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1ccn(C[C@@H]2CCCC[N@H+]2C(C)C)c(=O)c1[N+](=O)[O-] ZINC000413001517 394456664 /nfs/dbraw/zinc/45/66/64/394456664.db2.gz RXNSUBCMGSZUBX-ZDUSSCGKSA-N 1 0 293.367 2.328 20 5 CEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(F)c1 ZINC000413037913 394471232 /nfs/dbraw/zinc/47/12/32/394471232.db2.gz QWBIDUWKJPTJBR-UHFFFAOYSA-N 1 0 268.292 2.027 20 5 CEBDRO COCCN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413064616 394477186 /nfs/dbraw/zinc/47/71/86/394477186.db2.gz HDHLFRXAWIFXMJ-UHFFFAOYSA-N 1 0 261.281 2.226 20 5 CEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000413079920 394479991 /nfs/dbraw/zinc/47/99/91/394479991.db2.gz ZBJUBXCFZYOFBC-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000413257332 394514538 /nfs/dbraw/zinc/51/45/38/394514538.db2.gz NZBYKGUKFHMEEV-UHFFFAOYSA-N 1 0 284.335 2.297 20 5 CEBDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421372616 394514762 /nfs/dbraw/zinc/51/47/62/394514762.db2.gz LBVQPWKZKWDEKD-HRLNJXSSSA-N 1 0 276.336 2.453 20 5 CEBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000305181675 394498607 /nfs/dbraw/zinc/49/86/07/394498607.db2.gz NZBNXSOWXRPWFZ-CQSZACIVSA-N 1 0 278.352 2.373 20 5 CEBDRO Cc1c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180763 394498614 /nfs/dbraw/zinc/49/86/14/394498614.db2.gz NOAXQSQZZGDTFA-TZMCWYRMSA-N 1 0 278.352 2.496 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413187361 394499977 /nfs/dbraw/zinc/49/99/77/394499977.db2.gz UYBWIQFFFNXBAQ-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000421687850 394566455 /nfs/dbraw/zinc/56/64/55/394566455.db2.gz GLMWEDGVDHISNI-UHFFFAOYSA-N 1 0 291.351 2.197 20 5 CEBDRO CON1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421398842 394523529 /nfs/dbraw/zinc/52/35/29/394523529.db2.gz OYYHJYTXIKGJQC-UHFFFAOYSA-N 1 0 299.758 2.364 20 5 CEBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000308670592 394530834 /nfs/dbraw/zinc/53/08/34/394530834.db2.gz ZIHGMDQOAFWDJM-UHFFFAOYSA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CO)CC1 ZINC000255767822 394590137 /nfs/dbraw/zinc/59/01/37/394590137.db2.gz GRRCAEOHIDLMKY-HYXAFXHYSA-N 1 0 276.336 2.312 20 5 CEBDRO O=[N+]([O-])c1c(F)cccc1NCC[NH+]1CCCC1 ZINC000048804600 394531435 /nfs/dbraw/zinc/53/14/35/394531435.db2.gz MFLHDFVMLFCRQR-UHFFFAOYSA-N 1 0 253.277 2.242 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000323562801 394550088 /nfs/dbraw/zinc/55/00/88/394550088.db2.gz QZAITUXBFBNABK-VXGBXAGGSA-N 1 0 270.716 2.251 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000356740820 394598987 /nfs/dbraw/zinc/59/89/87/394598987.db2.gz KWKNCHNLPAXISX-NSHDSACASA-N 1 0 293.367 2.362 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000356747786 394601461 /nfs/dbraw/zinc/60/14/61/394601461.db2.gz UNNVBFKMIXIMDY-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356853620 394631704 /nfs/dbraw/zinc/63/17/04/394631704.db2.gz SJVPJBLCDAHOSC-AAEUAGOBSA-N 1 0 264.325 2.500 20 5 CEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742152 394668685 /nfs/dbraw/zinc/66/86/85/394668685.db2.gz NXZHZWBGGJJTSN-QWRGUYRKSA-N 1 0 280.324 2.397 20 5 CEBDRO CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000422093930 394675667 /nfs/dbraw/zinc/67/56/67/394675667.db2.gz ZIWJLIRPCOFGQR-SNVBAGLBSA-N 1 0 290.266 2.057 20 5 CEBDRO Cc1cnc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268109722 394690128 /nfs/dbraw/zinc/69/01/28/394690128.db2.gz CBVQRBSWIKXJBO-RYUDHWBXSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000268806283 394699871 /nfs/dbraw/zinc/69/98/71/394699871.db2.gz FWFFUFQIXLCWAZ-QWHCGFSZSA-N 1 0 290.367 2.219 20 5 CEBDRO C[NH2+]C[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414840333 394764901 /nfs/dbraw/zinc/76/49/01/394764901.db2.gz NBLACOLNINNYAQ-SECBINFHSA-N 1 0 271.748 2.193 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000271905730 394765856 /nfs/dbraw/zinc/76/58/56/394765856.db2.gz BVYZYWQLJWHIFJ-SNVBAGLBSA-N 1 0 298.364 2.207 20 5 CEBDRO [NH3+]C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414879210 394784196 /nfs/dbraw/zinc/78/41/96/394784196.db2.gz IDLCQOGDHTZTCG-ZZXKWVIFSA-N 1 0 261.325 2.079 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000414921177 394803487 /nfs/dbraw/zinc/80/34/87/394803487.db2.gz FEIMRQLTVFXQII-ZJUUUORDSA-N 1 0 255.343 2.016 20 5 CEBDRO C[C@H](CN)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938616 394812914 /nfs/dbraw/zinc/81/29/14/394812914.db2.gz YZOYHZFTDLFZRD-YRGRVCCFSA-N 1 0 277.368 2.243 20 5 CEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422826433 394814860 /nfs/dbraw/zinc/81/48/60/394814860.db2.gz LLQLBSZEQYWDOC-LLVKDONJSA-N 1 0 293.367 2.304 20 5 CEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414945723 394816358 /nfs/dbraw/zinc/81/63/58/394816358.db2.gz RYXBRMWVYAULTD-RNCFNFMXSA-N 1 0 283.759 2.336 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000422832258 394817791 /nfs/dbraw/zinc/81/77/91/394817791.db2.gz KZWFGNHAUPQBEZ-LBPRGKRZSA-N 1 0 293.367 2.315 20 5 CEBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000277283665 394819717 /nfs/dbraw/zinc/81/97/17/394819717.db2.gz ZAJSXSBCPMYBSA-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000414970117 394831827 /nfs/dbraw/zinc/83/18/27/394831827.db2.gz JYZVTKDYCQOWHT-CYBMUJFWSA-N 1 0 281.331 2.212 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415302077 394919715 /nfs/dbraw/zinc/91/97/15/394919715.db2.gz TXFOSDXNTAVZHD-NSHDSACASA-N 1 0 292.339 2.070 20 5 CEBDRO Cc1ccc([C@H](C)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423445251 394923206 /nfs/dbraw/zinc/92/32/06/394923206.db2.gz MNAGLRZVUSRCFW-AXFHLTTASA-N 1 0 251.330 2.290 20 5 CEBDRO Cc1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415416017 394929972 /nfs/dbraw/zinc/92/99/72/394929972.db2.gz JLMRGHKDJMZXKA-CQSZACIVSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415491099 394937520 /nfs/dbraw/zinc/93/75/20/394937520.db2.gz YXPSVBDSWBEPHU-VHSXEESVSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415496781 394938365 /nfs/dbraw/zinc/93/83/65/394938365.db2.gz GYTFGOSDKPPRAF-QWRGUYRKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C)CC[NH2+]CC1 ZINC000423595055 394956485 /nfs/dbraw/zinc/95/64/85/394956485.db2.gz PFAYSNSZIZKZLH-UHFFFAOYSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000369111824 394996150 /nfs/dbraw/zinc/99/61/50/394996150.db2.gz JACPGYLSNOZAGB-UHFFFAOYSA-N 1 0 284.385 2.219 20 5 CEBDRO C[NH+](C)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341746724 395004813 /nfs/dbraw/zinc/00/48/13/395004813.db2.gz YNMXTWIMYKSRND-UHFFFAOYSA-N 1 0 267.304 2.264 20 5 CEBDRO CC[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153742728 395016189 /nfs/dbraw/zinc/01/61/89/395016189.db2.gz BIELTFHNBOSGFR-UHFFFAOYSA-N 1 0 284.747 2.175 20 5 CEBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000286204346 395016393 /nfs/dbraw/zinc/01/63/93/395016393.db2.gz BYWUUCIVJAZFOW-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000423691718 394967822 /nfs/dbraw/zinc/96/78/22/394967822.db2.gz PVAMMZWVAKNLQO-LLVKDONJSA-N 1 0 279.340 2.069 20 5 CEBDRO CCN1C[C@@H](C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000340104640 394977895 /nfs/dbraw/zinc/97/78/95/394977895.db2.gz JDLXJKMTVSUNQQ-IUODEOHRSA-N 1 0 277.368 2.067 20 5 CEBDRO CC(C)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000159748811 395059265 /nfs/dbraw/zinc/05/92/65/395059265.db2.gz PFVYXBLXUDGHRD-UHFFFAOYSA-N 1 0 293.367 2.267 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344789633 395060013 /nfs/dbraw/zinc/06/00/13/395060013.db2.gz HXQKXKUFERKFEX-UHFFFAOYSA-N 1 0 297.330 2.146 20 5 CEBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494207158 395099358 /nfs/dbraw/zinc/09/93/58/395099358.db2.gz BMDJKGMQFUPOTK-IINYFYTJSA-N 1 0 280.324 2.261 20 5 CEBDRO CCN(CC[NH+]1CCCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343784421 395044291 /nfs/dbraw/zinc/04/42/91/395044291.db2.gz DSSJBLIFNKMWRY-UHFFFAOYSA-N 1 0 295.387 2.031 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000430198422 395163290 /nfs/dbraw/zinc/16/32/90/395163290.db2.gz YFYOTWDDJZLLMT-CQSZACIVSA-N 1 0 294.351 2.196 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398224736 395230734 /nfs/dbraw/zinc/23/07/34/395230734.db2.gz PKPPRJFLJLOCHJ-PWSUYJOCSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292344847 395192823 /nfs/dbraw/zinc/19/28/23/395192823.db2.gz BOJQAOUGDDEQFU-GFCCVEGCSA-N 1 0 291.326 2.493 20 5 CEBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295055743 395285041 /nfs/dbraw/zinc/28/50/41/395285041.db2.gz YOFZYEZNPNCYEC-LLVKDONJSA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccnc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000420274378 395288636 /nfs/dbraw/zinc/28/86/36/395288636.db2.gz FUMVAJXMVDSAOK-GHMZBOCLSA-N 1 0 264.329 2.228 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000298415193 395358141 /nfs/dbraw/zinc/35/81/41/395358141.db2.gz DHWYTFUPWIBKLD-UHFFFAOYSA-N 1 0 294.355 2.447 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1CC ZINC000192586568 395387499 /nfs/dbraw/zinc/38/74/99/395387499.db2.gz JDJWHXNMYPFZNF-LBPRGKRZSA-N 1 0 295.387 2.406 20 5 CEBDRO C[NH2+]CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000420333250 395333510 /nfs/dbraw/zinc/33/35/10/395333510.db2.gz CZHIMNZDHRUVPI-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354020761 292055706 /nfs/dbraw/zinc/05/57/06/292055706.db2.gz UJPZJWNYVYCXEM-LBPRGKRZSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135225742 400280577 /nfs/dbraw/zinc/28/05/77/400280577.db2.gz SYSGVBXELMVSJT-LLVKDONJSA-N 1 0 291.351 2.103 20 5 CEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971910 286226486 /nfs/dbraw/zinc/22/64/86/286226486.db2.gz DQGZKZQORLFWEL-OSAQELSMSA-N 1 0 294.351 2.439 20 5 CEBDRO Cc1c[nH+]ccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192711560 153215978 /nfs/dbraw/zinc/21/59/78/153215978.db2.gz QLFVZTWZFZQXRD-LBPRGKRZSA-N 1 0 299.334 2.384 20 5 CEBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830885 153350697 /nfs/dbraw/zinc/35/06/97/153350697.db2.gz BKKKKRGXGZATOD-OLZOCXBDSA-N 1 0 264.325 2.498 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315887 153390328 /nfs/dbraw/zinc/39/03/28/153390328.db2.gz GYPPYWURVIBLIC-IUODEOHRSA-N 1 0 292.335 2.261 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C(C)C)CC1 ZINC000360880764 155394060 /nfs/dbraw/zinc/39/40/60/155394060.db2.gz BXCQIUBGVDJLII-UHFFFAOYSA-N 1 0 295.387 2.404 20 5 CEBDRO C/C(=C\c1ccccc1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000255894183 153748717 /nfs/dbraw/zinc/74/87/17/153748717.db2.gz WZNBMWYBNXOKIT-UKTHLTGXSA-N 1 0 286.335 2.484 20 5 CEBDRO COCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284160522 292322327 /nfs/dbraw/zinc/32/23/27/292322327.db2.gz PUQCTVDIAIVNAG-JTQLQIEISA-N 1 0 267.329 2.254 20 5 CEBDRO Cc1ccc(CN2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000368037948 156273591 /nfs/dbraw/zinc/27/35/91/156273591.db2.gz BGCJIYRHBSPFTH-UHFFFAOYSA-N 1 0 275.352 2.183 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000368496105 156355114 /nfs/dbraw/zinc/35/51/14/156355114.db2.gz MSQSDYIJFYADHR-JXJLXUTGSA-N 1 0 262.309 2.138 20 5 CEBDRO CSC1(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368578446 156367308 /nfs/dbraw/zinc/36/73/08/156367308.db2.gz NBMMLQQHVHRYBR-NSHDSACASA-N 1 0 296.396 2.324 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000375003795 157039235 /nfs/dbraw/zinc/03/92/35/157039235.db2.gz LODFOPOLHLYSPM-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000375017932 157039982 /nfs/dbraw/zinc/03/99/82/157039982.db2.gz ICNMTZISKPSICQ-CZUORRHYSA-N 1 0 289.379 2.429 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376043925 157176953 /nfs/dbraw/zinc/17/69/53/157176953.db2.gz RSXMMGOPXCJPME-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271603877 286708665 /nfs/dbraw/zinc/70/86/65/286708665.db2.gz ITPGXBWQNOGDEF-VXGBXAGGSA-N 1 0 299.371 2.216 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000135678207 287051435 /nfs/dbraw/zinc/05/14/35/287051435.db2.gz JJUMJNBSGFGRLW-NWDGAFQWSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170764815 165041369 /nfs/dbraw/zinc/04/13/69/165041369.db2.gz SJRSHZQMBSDHGM-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000176193802 165157979 /nfs/dbraw/zinc/15/79/79/165157979.db2.gz DZLLIHIEEGHYOM-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000183354966 165389454 /nfs/dbraw/zinc/38/94/54/165389454.db2.gz BIHKHIJDYAAWTP-MZBDJJRSSA-N 1 0 290.363 2.496 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000026160433 171473665 /nfs/dbraw/zinc/47/36/65/171473665.db2.gz VLTACFGLWVHKEG-UHFFFAOYSA-N 1 0 295.339 2.320 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000035274490 172094285 /nfs/dbraw/zinc/09/42/85/172094285.db2.gz KTGQDGLONOXXDJ-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285412251 196275933 /nfs/dbraw/zinc/27/59/33/196275933.db2.gz XTXFWCLNYNECLF-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285642658 196353343 /nfs/dbraw/zinc/35/33/43/196353343.db2.gz OCDKDAGNLYTVJM-CYBMUJFWSA-N 1 0 288.294 2.370 20 5 CEBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000285753982 196387997 /nfs/dbraw/zinc/38/79/97/196387997.db2.gz VTCKYQMVRPEAEF-BDAKNGLRSA-N 1 0 286.278 2.388 20 5 CEBDRO CN1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040672720 174371070 /nfs/dbraw/zinc/37/10/70/174371070.db2.gz NJIILWZPYIOIIH-LLVKDONJSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCSC2)cc1 ZINC000040675861 174373323 /nfs/dbraw/zinc/37/33/23/174373323.db2.gz RZYSCSHZZBFLNE-NSHDSACASA-N 1 0 252.339 2.232 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690809 174376990 /nfs/dbraw/zinc/37/69/90/174376990.db2.gz VSIGQXINPGUTJX-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000044417323 175173339 /nfs/dbraw/zinc/17/33/39/175173339.db2.gz NLQKXDAHJBSVCN-SECBINFHSA-N 1 0 265.288 2.383 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000044572280 175209722 /nfs/dbraw/zinc/20/97/22/175209722.db2.gz MTEPBLDHMIQKSL-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070534461 175975162 /nfs/dbraw/zinc/97/51/62/175975162.db2.gz SWMHYYJKPSWCFU-SMDDNHRTSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300293 176113524 /nfs/dbraw/zinc/11/35/24/176113524.db2.gz WGGBKFHGKJMMOB-ZANVPECISA-N 1 0 250.298 2.016 20 5 CEBDRO O=C(NCC[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072634306 176419214 /nfs/dbraw/zinc/41/92/14/176419214.db2.gz YBENISPNGWAKBC-UHFFFAOYSA-N 1 0 297.742 2.074 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000077424243 177265774 /nfs/dbraw/zinc/26/57/74/177265774.db2.gz VWVDICXTKXHXNI-QWRGUYRKSA-N 1 0 252.314 2.010 20 5 CEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000078510157 177348363 /nfs/dbraw/zinc/34/83/63/177348363.db2.gz YLLCULXJPHQWKJ-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312125377 270333237 /nfs/dbraw/zinc/33/32/37/270333237.db2.gz YXTVHVLHKZBWSP-ONGXEEELSA-N 1 0 267.304 2.216 20 5 CEBDRO COc1cc(C[N@H+](CC(C)(C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000426774513 260380288 /nfs/dbraw/zinc/38/02/88/260380288.db2.gz OWQXUNYNRXQOIE-UHFFFAOYSA-N 1 0 294.351 2.339 20 5 CEBDRO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268168691 262949731 /nfs/dbraw/zinc/94/97/31/262949731.db2.gz QEBIJAZWFSOQOR-PWSUYJOCSA-N 1 0 276.340 2.193 20 5 CEBDRO C[C@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438983443 263087945 /nfs/dbraw/zinc/08/79/45/263087945.db2.gz BXKOADCOPOYUIE-NSHDSACASA-N 1 0 264.325 2.330 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000425969686 264248957 /nfs/dbraw/zinc/24/89/57/264248957.db2.gz XEVBIEAPTITTRG-YPMHNXCESA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000425969684 264249078 /nfs/dbraw/zinc/24/90/78/264249078.db2.gz XEVBIEAPTITTRG-DGCLKSJQSA-N 1 0 264.325 2.106 20 5 CEBDRO CC(C)(CC[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000397203075 270352861 /nfs/dbraw/zinc/35/28/61/270352861.db2.gz XPLBIOLDWWHPNO-UHFFFAOYSA-N 1 0 285.731 2.105 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586527 264529898 /nfs/dbraw/zinc/52/98/98/264529898.db2.gz BJJLADXUMHNBAS-JSGCOSHPSA-N 1 0 291.351 2.256 20 5 CEBDRO CN(CC(C)(C)C[NH3+])C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000211128322 265904662 /nfs/dbraw/zinc/90/46/62/265904662.db2.gz UHJLLHUZVHBLTH-FPLPWBNLSA-N 1 0 291.351 2.051 20 5 CEBDRO CCN(CCC[NH+](C)C)c1ncc(C)cc1[N+](=O)[O-] ZINC000190287781 270268205 /nfs/dbraw/zinc/26/82/05/270268205.db2.gz QRKCGVJBIAVYCS-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO CC[N@H+](CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000220004247 270308367 /nfs/dbraw/zinc/30/83/67/270308367.db2.gz RTHQPLQITNSQOB-UHFFFAOYSA-N 1 0 289.339 2.367 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)OC ZINC000322548079 270335110 /nfs/dbraw/zinc/33/51/10/270335110.db2.gz UYGTZDSFRRCBKG-CYBMUJFWSA-N 1 0 252.314 2.500 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322915221 270335334 /nfs/dbraw/zinc/33/53/34/270335334.db2.gz KMRUIKSPKSRZOX-YOGCLGLASA-N 1 0 293.371 2.157 20 5 CEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397490280 270354085 /nfs/dbraw/zinc/35/40/85/270354085.db2.gz ZCRBYWBNLNLSEI-WCABBAIRSA-N 1 0 297.380 2.102 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000398064218 270356038 /nfs/dbraw/zinc/35/60/38/270356038.db2.gz HENHMKTWPFCGSA-BXKDBHETSA-N 1 0 268.288 2.391 20 5 CEBDRO COC(=O)CC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000424280002 271038919 /nfs/dbraw/zinc/03/89/19/271038919.db2.gz LEKBJYGKGLOXMQ-UHFFFAOYSA-N 1 0 292.335 2.335 20 5 CEBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425977937 271193028 /nfs/dbraw/zinc/19/30/28/271193028.db2.gz NLZHJRLXVYLZQM-HRLNJXSSSA-N 1 0 276.336 2.311 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000428444335 271267464 /nfs/dbraw/zinc/26/74/64/271267464.db2.gz VMHSIENJAYEJSZ-KEDPEKRHSA-N 1 0 276.336 2.455 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CC(F)F ZINC000428641606 271284715 /nfs/dbraw/zinc/28/47/15/271284715.db2.gz MNTJQOHHRPFSHK-TZNOJPMFSA-N 1 0 286.278 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CC(F)F ZINC000428641607 271284802 /nfs/dbraw/zinc/28/48/02/271284802.db2.gz MNTJQOHHRPFSHK-USEMIUTHSA-N 1 0 286.278 2.214 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000430225562 271365117 /nfs/dbraw/zinc/36/51/17/271365117.db2.gz YJLSMLQFZQWQAY-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000346683346 274421127 /nfs/dbraw/zinc/42/11/27/274421127.db2.gz QLBVIYOQXKCKNQ-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCC[NH2+]C1)CCC2 ZINC000332197871 275038165 /nfs/dbraw/zinc/03/81/65/275038165.db2.gz DZPSAJKIBBIBNI-WFASDCNBSA-N 1 0 275.352 2.314 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+](C4CC4)C3)c21 ZINC000347397368 275039800 /nfs/dbraw/zinc/03/98/00/275039800.db2.gz GITYOIUYKHZMMG-JTQLQIEISA-N 1 0 299.334 2.187 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361591909 276133820 /nfs/dbraw/zinc/13/38/20/276133820.db2.gz SSXAIMHTEWNOTQ-ZDUSSCGKSA-N 1 0 280.324 2.084 20 5 CEBDRO CC[N@@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269643508 276164937 /nfs/dbraw/zinc/16/49/37/276164937.db2.gz ORRZTJREQRJAAU-UHFFFAOYSA-N 1 0 285.294 2.405 20 5 CEBDRO C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134483193 277049632 /nfs/dbraw/zinc/04/96/32/277049632.db2.gz NBSPJPRXEFAYRR-UHFFFAOYSA-N 1 0 297.742 2.026 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272250246 277178110 /nfs/dbraw/zinc/17/81/10/277178110.db2.gz YHGWSJHHMDEPNF-TVQRCGJNSA-N 1 0 297.305 2.403 20 5 CEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205550 277255271 /nfs/dbraw/zinc/25/52/71/277255271.db2.gz SDWWDMXCOSANPE-IAQYHMDHSA-N 1 0 291.351 2.114 20 5 CEBDRO C[NH2+]C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347151337 277286267 /nfs/dbraw/zinc/28/62/67/277286267.db2.gz BDGRJNVYRGFWGH-DIECRNLCSA-N 1 0 275.352 2.149 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178730909 277569977 /nfs/dbraw/zinc/56/99/77/277569977.db2.gz KNTVYLSEMKYWCR-CYBMUJFWSA-N 1 0 280.324 2.118 20 5 CEBDRO COc1cccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366114221 278016768 /nfs/dbraw/zinc/01/67/68/278016768.db2.gz XAVOVCWMWXWDCJ-HNNXBMFYSA-N 1 0 291.351 2.135 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000181070132 278281932 /nfs/dbraw/zinc/28/19/32/278281932.db2.gz WQMVWXGKACRPIS-XDTLVQLUSA-N 1 0 250.298 2.159 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296712263 279471881 /nfs/dbraw/zinc/47/18/81/279471881.db2.gz MBAXYAZNRDSNLB-CMPLNLGQSA-N 1 0 278.308 2.199 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000128139760 279554301 /nfs/dbraw/zinc/55/43/01/279554301.db2.gz ODVRIOAPUAGFEY-XDTLVQLUSA-N 1 0 264.325 2.405 20 5 CEBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321145 280060493 /nfs/dbraw/zinc/06/04/93/280060493.db2.gz ZLDUMZZZAXAEEV-NEPJUHHUSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230151991 280062494 /nfs/dbraw/zinc/06/24/94/280062494.db2.gz RJBWWYGDBYENAO-ZWNOBZJWSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174852314 280126226 /nfs/dbraw/zinc/12/62/26/280126226.db2.gz BEBRMSPDXLMALL-LBPRGKRZSA-N 1 0 286.335 2.411 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015630 280541623 /nfs/dbraw/zinc/54/16/23/280541623.db2.gz YIZPOGDLJSNZFJ-GWCFXTLKSA-N 1 0 282.365 2.113 20 5 CEBDRO Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000300093240 280566247 /nfs/dbraw/zinc/56/62/47/280566247.db2.gz RZPNOGNQHFTKOD-MFKMUULPSA-N 1 0 263.341 2.467 20 5 CEBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CC1(C)C ZINC000419315881 280776512 /nfs/dbraw/zinc/77/65/12/280776512.db2.gz KOIYXCLSKDJJSC-GHMZBOCLSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000268823876 281013484 /nfs/dbraw/zinc/01/34/84/281013484.db2.gz QELAQGCGGZPJSW-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO CCC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721978 281082880 /nfs/dbraw/zinc/08/28/80/281082880.db2.gz JCBUBUBJGFKUKE-CQSZACIVSA-N 1 0 291.351 2.213 20 5 CEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426454914 281194402 /nfs/dbraw/zinc/19/44/02/281194402.db2.gz AXRIKRWFKUIDMA-GWCFXTLKSA-N 1 0 289.335 2.068 20 5 CEBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576139 281246463 /nfs/dbraw/zinc/24/64/63/281246463.db2.gz BMJKRQLZXGMAQD-GWCFXTLKSA-N 1 0 291.351 2.314 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430612164 281269275 /nfs/dbraw/zinc/26/92/75/281269275.db2.gz QNKRHHWIWDIDBE-NSHDSACASA-N 1 0 281.331 2.165 20 5 CEBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850176 281787472 /nfs/dbraw/zinc/78/74/72/281787472.db2.gz WLPHZYAIJUGZTQ-BDAKNGLRSA-N 1 0 260.297 2.217 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864290 289275005 /nfs/dbraw/zinc/27/50/05/289275005.db2.gz ZAZXGCLSIJHALQ-YPMHNXCESA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc(N[C@@H]2CO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402029781 289288999 /nfs/dbraw/zinc/28/89/99/289288999.db2.gz IAUNPVBVYRZJMC-MNOVXSKESA-N 1 0 287.319 2.463 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208087 290234709 /nfs/dbraw/zinc/23/47/09/290234709.db2.gz PTQRIEDSZDAXEA-SMDDNHRTSA-N 1 0 261.325 2.125 20 5 CEBDRO Cc1cc(F)ccc1CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000488034082 290375184 /nfs/dbraw/zinc/37/51/84/290375184.db2.gz KYBJWUGSXJBJOG-UHFFFAOYSA-N 1 0 292.314 2.408 20 5 CEBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000070196686 295326247 /nfs/dbraw/zinc/32/62/47/295326247.db2.gz OYBUJDNLVWRZPM-CQSZACIVSA-N 1 0 283.331 2.485 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000530963161 298089970 /nfs/dbraw/zinc/08/99/70/298089970.db2.gz VDSLPRZVURTVLI-CYBMUJFWSA-N 1 0 287.323 2.023 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C1CC1)C1CCCC1 ZINC000531348061 298103235 /nfs/dbraw/zinc/10/32/35/298103235.db2.gz NRUFAWSJQXYEGA-UHFFFAOYSA-N 1 0 264.329 2.235 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000535247169 298184710 /nfs/dbraw/zinc/18/47/10/298184710.db2.gz RASAUGGDYFHXBV-LBPRGKRZSA-N 1 0 276.336 2.380 20 5 CEBDRO C[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000536377950 298196195 /nfs/dbraw/zinc/19/61/95/298196195.db2.gz JDYPAXLOZNIYSI-NSHDSACASA-N 1 0 281.356 2.123 20 5 CEBDRO COCCC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539071009 298244401 /nfs/dbraw/zinc/24/44/01/298244401.db2.gz SLETVTZEZGAODJ-GFCCVEGCSA-N 1 0 282.340 2.378 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131974688 300413130 /nfs/dbraw/zinc/41/31/30/300413130.db2.gz FVRPRZPEEIYAIG-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000556078720 313657649 /nfs/dbraw/zinc/65/76/49/313657649.db2.gz YEGASPRJQSZJFY-TVYUQYBPSA-N 1 0 250.298 2.423 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000562980971 313706975 /nfs/dbraw/zinc/70/69/75/313706975.db2.gz ROICHOGYWHLNPB-CYBMUJFWSA-N 1 0 290.298 2.315 20 5 CEBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000569581767 314001999 /nfs/dbraw/zinc/00/19/99/314001999.db2.gz QPVZDBCLKYJFPS-TXEJJXNPSA-N 1 0 298.346 2.107 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569823573 314016961 /nfs/dbraw/zinc/01/69/61/314016961.db2.gz FMWRVGFCOMAYEP-CHWSQXEVSA-N 1 0 290.367 2.124 20 5 CEBDRO Cc1ccc(NCCC[NH2+]CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000575116523 314206145 /nfs/dbraw/zinc/20/61/45/314206145.db2.gz CQBPAFIKIVSPND-UHFFFAOYSA-N 1 0 293.367 2.210 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137169 314209300 /nfs/dbraw/zinc/20/93/00/314209300.db2.gz QVHGKLBHTQSQRD-MNOVXSKESA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000576128801 314246045 /nfs/dbraw/zinc/24/60/45/314246045.db2.gz DJVFKBQFIVRAHG-NEPJUHHUSA-N 1 0 293.367 2.467 20 5 CEBDRO CNC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576408950 314273620 /nfs/dbraw/zinc/27/36/20/314273620.db2.gz SDKVUKUZBCEGOR-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C1CCC1 ZINC000576886376 314320258 /nfs/dbraw/zinc/32/02/58/314320258.db2.gz KIUCKSMYSYETIQ-DZGCQCFKSA-N 1 0 276.336 2.333 20 5 CEBDRO CCOCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025770 314439234 /nfs/dbraw/zinc/43/92/34/314439234.db2.gz CPLGLAYMOWJHGO-GFCCVEGCSA-N 1 0 250.298 2.208 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382455264 321839963 /nfs/dbraw/zinc/83/99/63/321839963.db2.gz QBDXZWZSEBDTKI-RKDXNWHRSA-N 1 0 297.742 2.248 20 5 CEBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000386545349 321871998 /nfs/dbraw/zinc/87/19/98/321871998.db2.gz FNGXAYUNEVDAGW-DGCLKSJQSA-N 1 0 263.341 2.215 20 5 CEBDRO C[C@H](CCCC[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000386767460 321873920 /nfs/dbraw/zinc/87/39/20/321873920.db2.gz HHROELVBFBVZRD-MQGYJPLLSA-N 1 0 291.351 2.242 20 5 CEBDRO O=[N+]([O-])c1ncccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000580332957 322312016 /nfs/dbraw/zinc/31/20/16/322312016.db2.gz KLPQYJWMXBZVSB-UHFFFAOYSA-N 1 0 285.303 2.215 20 5 CEBDRO C[C@@H]([NH3+])CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580445229 322318473 /nfs/dbraw/zinc/31/84/73/322318473.db2.gz OVRQHFFZASIOQE-SECBINFHSA-N 1 0 264.329 2.018 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580782061 322344390 /nfs/dbraw/zinc/34/43/90/322344390.db2.gz SDOVGRLXBZICCY-WCQYABFASA-N 1 0 263.341 2.215 20 5 CEBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581081461 322368287 /nfs/dbraw/zinc/36/82/87/322368287.db2.gz BAQXZPSPUHPILZ-MFKMUULPSA-N 1 0 291.351 2.039 20 5 CEBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000181458747 518956572 /nfs/dbraw/zinc/95/65/72/518956572.db2.gz CPULEYKJCVCFFT-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188672875 522572895 /nfs/dbraw/zinc/57/28/95/522572895.db2.gz XWJUVNCNUYMUSN-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000049553543 524476439 /nfs/dbraw/zinc/47/64/39/524476439.db2.gz KGENBLOKVHKIJG-NSHDSACASA-N 1 0 251.330 2.025 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+](C)C ZINC000052812781 525576386 /nfs/dbraw/zinc/57/63/86/525576386.db2.gz WGDULYPYTKUNEH-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070172737 526070183 /nfs/dbraw/zinc/07/01/83/526070183.db2.gz FECSELBOADMUMA-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO C/C(=C/c1ccccc1)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151297670 527506618 /nfs/dbraw/zinc/50/66/18/527506618.db2.gz WZNBMWYBNXOKIT-LCYFTJDESA-N 1 0 286.335 2.484 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017909 529205445 /nfs/dbraw/zinc/20/54/45/529205445.db2.gz OZUNJCQYKGFUKD-BXUZGUMPSA-N 1 0 289.339 2.316 20 5 CEBDRO CC[C@@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000192080267 535797755 /nfs/dbraw/zinc/79/77/55/535797755.db2.gz YHNCTFHNGPZPQK-OPQQBVKSSA-N 1 0 279.340 2.145 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313123531 535806257 /nfs/dbraw/zinc/80/62/57/535806257.db2.gz WIRZTCLUJCGJCO-OLZOCXBDSA-N 1 0 252.314 2.234 20 5 CEBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000313097396 536009505 /nfs/dbraw/zinc/00/95/05/536009505.db2.gz DUJBIKWSCGZEGZ-AAEUAGOBSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc([N+](=O)[O-])cc1 ZINC000757695846 574514229 /nfs/dbraw/zinc/51/42/29/574514229.db2.gz AKDXXPHXIISGBX-JTQLQIEISA-N 1 0 280.324 2.397 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CCO)C1CC1 ZINC000741259320 574979617 /nfs/dbraw/zinc/97/96/17/574979617.db2.gz WBXAODWPUXCJJV-GFCCVEGCSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000742426984 575021149 /nfs/dbraw/zinc/02/11/49/575021149.db2.gz DUEJRMZSYLIVEC-SECBINFHSA-N 1 0 295.368 2.200 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C(C2CC2)C2CC2)c1 ZINC000749662497 575228778 /nfs/dbraw/zinc/22/87/78/575228778.db2.gz MDNBCLNAPFSGFV-CQSZACIVSA-N 1 0 276.336 2.406 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C3CCC2CC3)c1 ZINC000750034326 575244443 /nfs/dbraw/zinc/24/44/43/575244443.db2.gz AHSHSAIJDOVXDS-ORHYLEIMSA-N 1 0 262.309 2.255 20 5 CEBDRO C[C@H]1CSCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838277 575345191 /nfs/dbraw/zinc/34/51/91/575345191.db2.gz SEORQKCUECAUTK-RISCZKNCSA-N 1 0 296.392 2.313 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000892449042 625487361 /nfs/dbraw/zinc/48/73/61/625487361.db2.gz KRIYVPNXBQHNAC-MRVPVSSYSA-N 1 0 266.297 2.197 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000804795402 622967967 /nfs/dbraw/zinc/96/79/67/622967967.db2.gz QOKMSSWQUGSJNM-JTQLQIEISA-N 1 0 267.304 2.264 20 5 CEBDRO COCCOC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000742377610 623426038 /nfs/dbraw/zinc/42/60/38/623426038.db2.gz WHYKXFKUNUKHLR-LBPRGKRZSA-N 1 0 282.340 2.044 20 5 CEBDRO CCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1OC ZINC000892492921 625660003 /nfs/dbraw/zinc/66/00/03/625660003.db2.gz XJTIRRCJMNTEDX-UHFFFAOYSA-N 1 0 282.344 2.142 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934004778 624158778 /nfs/dbraw/zinc/15/87/78/624158778.db2.gz UOFABYWIEIJEPX-UHFFFAOYSA-N 1 0 290.323 2.357 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000044492122 624886688 /nfs/dbraw/zinc/88/66/88/624886688.db2.gz ZRVZZERWRLULEM-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000219104590 624944883 /nfs/dbraw/zinc/94/48/83/624944883.db2.gz GCEQUOQRWAMDER-ZDUSSCGKSA-N 1 0 278.333 2.480 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000926796137 627386089 /nfs/dbraw/zinc/38/60/89/627386089.db2.gz NKJXVOYJWAWUTA-YPMHNXCESA-N 1 0 291.351 2.050 20 5 CEBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000311827293 627702676 /nfs/dbraw/zinc/70/26/76/627702676.db2.gz OKTRMSRQBHBTKH-LBPRGKRZSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430082 634651605 /nfs/dbraw/zinc/65/16/05/634651605.db2.gz OEYZXAYOYYBSAR-DYEKYZERSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474609 634666502 /nfs/dbraw/zinc/66/65/02/634666502.db2.gz GERLUMQXXVZDAU-PMOUVXMZSA-N 1 0 289.379 2.398 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000313467757 628603027 /nfs/dbraw/zinc/60/30/27/628603027.db2.gz DVFUXNVARVAEPM-GWCFXTLKSA-N 1 0 281.331 2.258 20 5 CEBDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925826124 628905952 /nfs/dbraw/zinc/90/59/52/628905952.db2.gz LZAVDKMQHARWRZ-YRGRVCCFSA-N 1 0 293.367 2.012 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000261673092 628982633 /nfs/dbraw/zinc/98/26/33/628982633.db2.gz GKFCFYZCKSCLKV-SECBINFHSA-N 1 0 276.296 2.104 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503938 629166570 /nfs/dbraw/zinc/16/65/70/629166570.db2.gz KFJMBYLOEKBDEA-GXSJLCMTSA-N 1 0 264.329 2.072 20 5 CEBDRO COc1c(O)ccc(C[NH2+]CC[C@H](C)F)c1[N+](=O)[O-] ZINC000894623753 629563054 /nfs/dbraw/zinc/56/30/54/629563054.db2.gz JNCGMEKDPKJGSS-QMMMGPOBSA-N 1 0 272.276 2.147 20 5 CEBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000894657185 629577503 /nfs/dbraw/zinc/57/75/03/629577503.db2.gz JIKFRUSCTLXJDO-BSLXNSKLSA-N 1 0 294.351 2.438 20 5 CEBDRO CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647192 629641966 /nfs/dbraw/zinc/64/19/66/629641966.db2.gz BRFHKNIHRVAPSV-AAEUAGOBSA-N 1 0 250.298 2.113 20 5 CEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000049217039 629854452 /nfs/dbraw/zinc/85/44/52/629854452.db2.gz KCXLFISNJAWCEZ-CYBMUJFWSA-N 1 0 297.330 2.050 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CC[NH+](C)C)C1 ZINC000895330249 630118624 /nfs/dbraw/zinc/11/86/24/630118624.db2.gz PCVSMUGDWPEVGF-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1cnc(N2CC[C@H](CC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895331314 630119816 /nfs/dbraw/zinc/11/98/16/630119816.db2.gz UQJDDLRZKHKNRA-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736168 630325603 /nfs/dbraw/zinc/32/56/03/630325603.db2.gz JBMIOACSASAZOV-TVQRCGJNSA-N 1 0 277.324 2.302 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000895767801 630337409 /nfs/dbraw/zinc/33/74/09/630337409.db2.gz RVNGPFRHRXWAPF-LLVKDONJSA-N 1 0 272.308 2.259 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000896000694 630431847 /nfs/dbraw/zinc/43/18/47/630431847.db2.gz YCQVDPMXHNIDAA-JTQLQIEISA-N 1 0 298.314 2.491 20 5 CEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000896650379 630624878 /nfs/dbraw/zinc/62/48/78/630624878.db2.gz GIZITOMDJYKGGP-ZDUSSCGKSA-N 1 0 278.356 2.156 20 5 CEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000896651800 630625543 /nfs/dbraw/zinc/62/55/43/630625543.db2.gz YTTBTKIGQOINEA-LBPRGKRZSA-N 1 0 278.356 2.156 20 5 CEBDRO O=[N+]([O-])CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000798197006 630837014 /nfs/dbraw/zinc/83/70/14/630837014.db2.gz ZODQSCGPCYJRLA-UHFFFAOYSA-N 1 0 264.325 2.054 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCS1 ZINC000896950937 630838350 /nfs/dbraw/zinc/83/83/50/630838350.db2.gz FZCXMTFBMVGFFR-QKEWWQLBSA-N 1 0 296.396 2.369 20 5 CEBDRO CC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000985182955 630874478 /nfs/dbraw/zinc/87/44/78/630874478.db2.gz BOXRLNQLYCOGMX-UHFFFAOYSA-N 1 0 297.380 2.099 20 5 CEBDRO Cc1cc(N[C@H]2CC23CC(O)C3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000897091241 630924240 /nfs/dbraw/zinc/92/42/40/630924240.db2.gz IEHLGCFUIBYKJZ-AJQRCPHMSA-N 1 0 299.330 2.199 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000897133902 630952129 /nfs/dbraw/zinc/95/21/29/630952129.db2.gz RMDXWWOZPJDZJZ-UHFFFAOYSA-N 1 0 296.758 2.318 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000800848234 631148848 /nfs/dbraw/zinc/14/88/48/631148848.db2.gz WITMDGPCAWVVOZ-JTQLQIEISA-N 1 0 266.345 2.319 20 5 CEBDRO Nc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000804347040 631667398 /nfs/dbraw/zinc/66/73/98/631667398.db2.gz CLKGEHPTNZFQMA-JTQLQIEISA-N 1 0 276.340 2.073 20 5 CEBDRO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000804503924 631696768 /nfs/dbraw/zinc/69/67/68/631696768.db2.gz JUAABWHZOJSDTL-UWVGGRQHSA-N 1 0 294.311 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897676314 631862242 /nfs/dbraw/zinc/86/22/42/631862242.db2.gz KSVVCBZGHAPWTC-HZMBPMFUSA-N 1 0 264.325 2.024 20 5 CEBDRO COCC(C)(C)CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734770 632134452 /nfs/dbraw/zinc/13/44/52/632134452.db2.gz QFCXSQJVQJKLOS-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO [NH3+]CCN(Cc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734776 632134745 /nfs/dbraw/zinc/13/47/45/632134745.db2.gz LERJTXDHMPLQIQ-UHFFFAOYSA-N 1 0 261.281 2.153 20 5 CEBDRO CCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989833170 632248775 /nfs/dbraw/zinc/24/87/75/632248775.db2.gz WTCYNKSMFPTXSB-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](CO)C1)CCC2 ZINC000927146609 632592854 /nfs/dbraw/zinc/59/28/54/632592854.db2.gz GELCJWPWTFOHDP-WBIUFABUSA-N 1 0 276.336 2.333 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000927149446 632607564 /nfs/dbraw/zinc/60/75/64/632607564.db2.gz BYXIIAONZWWIBR-MPKXVKKWSA-N 1 0 264.325 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1 ZINC000813332572 632670372 /nfs/dbraw/zinc/67/03/72/632670372.db2.gz CKGLSEHWNLDOGZ-CQSZACIVSA-N 1 0 280.324 2.228 20 5 CEBDRO O=[N+]([O-])c1cn(C[C@H]2CCCC[NH2+]C2)nc1C1CC1 ZINC000899630052 632926277 /nfs/dbraw/zinc/92/62/77/632926277.db2.gz NIVCAKCAQMNOQD-JTQLQIEISA-N 1 0 264.329 2.058 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCS2)c1 ZINC000819149165 634085493 /nfs/dbraw/zinc/08/54/93/634085493.db2.gz GHHRRRKOFKJODI-OLZOCXBDSA-N 1 0 282.365 2.113 20 5 CEBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155657 634087972 /nfs/dbraw/zinc/08/79/72/634087972.db2.gz ORJKTVMTKWANMX-LALPHHSUSA-N 1 0 294.351 2.033 20 5 CEBDRO C[C@@H]1CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000819200193 634102115 /nfs/dbraw/zinc/10/21/15/634102115.db2.gz SLBYPONELMNSNG-HFAKWTLXSA-N 1 0 294.351 2.174 20 5 CEBDRO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000819371363 634159651 /nfs/dbraw/zinc/15/96/51/634159651.db2.gz JCOCAIXJQPCYAH-CVMIBZJCSA-N 1 0 294.351 2.031 20 5 CEBDRO C[N@@H+]1CC[C@@H](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000901938409 634366609 /nfs/dbraw/zinc/36/66/09/634366609.db2.gz UQXIAGDCKTVYDC-JTQLQIEISA-N 1 0 288.307 2.139 20 5 CEBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000822518832 634935968 /nfs/dbraw/zinc/93/59/68/634935968.db2.gz XUODTAHTAFQNTL-STQMWFEESA-N 1 0 299.415 2.059 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903076623 634958179 /nfs/dbraw/zinc/95/81/79/634958179.db2.gz SPTBPSPELOGEEY-WCQYABFASA-N 1 0 293.367 2.348 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903092077 634974333 /nfs/dbraw/zinc/97/43/33/634974333.db2.gz GVYSLDDYKCALIW-YGRLFVJLSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128497 634983821 /nfs/dbraw/zinc/98/38/21/634983821.db2.gz ZSTFNICZSNQABW-GXSJLCMTSA-N 1 0 266.297 2.043 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194434 635005422 /nfs/dbraw/zinc/00/54/22/635005422.db2.gz MZWVTNMSCVICKH-NHCYSSNCSA-N 1 0 280.324 2.431 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc([N+](=O)[O-])c1 ZINC000903190265 635013900 /nfs/dbraw/zinc/01/39/00/635013900.db2.gz RDEWFMLCJQQSKB-NURSFMCSSA-N 1 0 280.324 2.167 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903206404 635016323 /nfs/dbraw/zinc/01/63/23/635016323.db2.gz JZTUHEONRFNMMR-OUJBWJOFSA-N 1 0 280.324 2.025 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903216866 635019862 /nfs/dbraw/zinc/01/98/62/635019862.db2.gz JZTUHEONRFNMMR-KWBADKCTSA-N 1 0 280.324 2.025 20 5 CEBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302220 635049163 /nfs/dbraw/zinc/04/91/63/635049163.db2.gz XGUVFAOGGSZUTJ-NHCYSSNCSA-N 1 0 281.331 2.477 20 5 CEBDRO CC(C)[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@@H](C)[NH3+] ZINC000823270547 635120542 /nfs/dbraw/zinc/12/05/42/635120542.db2.gz SLGJENVQSUXZKL-XCBNKYQSSA-N 1 0 280.284 2.325 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485744 635151914 /nfs/dbraw/zinc/15/19/14/635151914.db2.gz PRUDRBNFKPQCDK-OAHLLOKOSA-N 1 0 289.379 2.402 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485344 635152164 /nfs/dbraw/zinc/15/21/64/635152164.db2.gz MCZCAMRQTWOPFT-AWEZNQCLSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1nc(NC(=O)CC[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000903817706 635273956 /nfs/dbraw/zinc/27/39/56/635273956.db2.gz FEJCGWYGSPMTPO-UHFFFAOYSA-N 1 0 280.328 2.015 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000903967762 635400452 /nfs/dbraw/zinc/40/04/52/635400452.db2.gz NORMNAITSDCAPF-KOLCDFICSA-N 1 0 283.759 2.193 20 5 CEBDRO C[C@H](NC[C@@H]([NH3+])CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000903988435 635406412 /nfs/dbraw/zinc/40/64/12/635406412.db2.gz RGQWJRXJHNTTEC-WPRPVWTQSA-N 1 0 273.283 2.228 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000904405695 635612485 /nfs/dbraw/zinc/61/24/85/635612485.db2.gz MSSYHJNAGDKNTE-GFCCVEGCSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000905157942 635833210 /nfs/dbraw/zinc/83/32/10/635833210.db2.gz CJQFDFOGWJDWGL-UHFFFAOYSA-N 1 0 277.349 2.219 20 5 CEBDRO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCO1 ZINC000905589028 636343248 /nfs/dbraw/zinc/34/32/48/636343248.db2.gz MYPWBCQVYZDMJC-HUUCEWRRSA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876531714 650308137 /nfs/dbraw/zinc/30/81/37/650308137.db2.gz NAUCHDFVJCRKSD-SNVBAGLBSA-N 1 0 287.319 2.167 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914564 637987281 /nfs/dbraw/zinc/98/72/81/637987281.db2.gz ICVHNEBYVPFEOS-FOGDFJRCSA-N 1 0 279.340 2.395 20 5 CEBDRO CSCC[C@H]([NH3+])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000911906372 638473179 /nfs/dbraw/zinc/47/31/79/638473179.db2.gz CKVMYNVQIVUUMQ-VIFPVBQESA-N 1 0 283.353 2.004 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829747 650449969 /nfs/dbraw/zinc/44/99/69/650449969.db2.gz XSNVWSKUIVTIJS-VXGBXAGGSA-N 1 0 291.351 2.211 20 5 CEBDRO C[NH+](C)C1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000913404874 639273281 /nfs/dbraw/zinc/27/32/81/639273281.db2.gz LNQDXSPJHGMPKK-UHFFFAOYSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000044722143 639358873 /nfs/dbraw/zinc/35/88/73/639358873.db2.gz PSTSTCCXPLGXPC-ZDUSSCGKSA-N 1 0 275.352 2.230 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957815 650505441 /nfs/dbraw/zinc/50/54/41/650505441.db2.gz HVZKYFPUCWDISL-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000168850471 639586417 /nfs/dbraw/zinc/58/64/17/639586417.db2.gz RIRIHXQKXVZSSY-CVJBHZAOSA-N 1 0 290.772 2.105 20 5 CEBDRO CC[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233447 639715074 /nfs/dbraw/zinc/71/50/74/639715074.db2.gz UULDBNBIZOZVSJ-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3Cc4ccccc43)C2)c1 ZINC000877016773 650532981 /nfs/dbraw/zinc/53/29/81/650532981.db2.gz PTYGGBKBBCIFCZ-HSBZDZAISA-N 1 0 298.346 2.424 20 5 CEBDRO CCC[C@H](CCO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843099607 640279906 /nfs/dbraw/zinc/27/99/06/640279906.db2.gz QUBSXMNHFRESDU-DOMZBBRYSA-N 1 0 296.367 2.017 20 5 CEBDRO Cc1ccc(-c2noc([C@@]3(F)CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843178625 640328803 /nfs/dbraw/zinc/32/88/03/640328803.db2.gz IDAOEJMJADAUBM-CYBMUJFWSA-N 1 0 292.270 2.111 20 5 CEBDRO Cc1c(-c2noc(C[NH2+]CC3CC3)n2)cccc1[N+](=O)[O-] ZINC000843238021 640364688 /nfs/dbraw/zinc/36/46/88/640364688.db2.gz KDGIBPJXQPLGPU-UHFFFAOYSA-N 1 0 288.307 2.453 20 5 CEBDRO C[NH2+]C[C@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239300 640365540 /nfs/dbraw/zinc/36/55/40/640365540.db2.gz JBGFJCKBBKRLKD-VIFPVBQESA-N 1 0 276.296 2.276 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cs1 ZINC000914433935 640404542 /nfs/dbraw/zinc/40/45/42/640404542.db2.gz YGDTYFYXZDYBPK-GHMZBOCLSA-N 1 0 268.338 2.171 20 5 CEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[NH2+]C(C)C)CC2 ZINC000843495972 640443602 /nfs/dbraw/zinc/44/36/02/640443602.db2.gz YHDIQHOSKQOUMO-UHFFFAOYSA-N 1 0 291.351 2.180 20 5 CEBDRO [NH3+]CCCCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000843505720 640444738 /nfs/dbraw/zinc/44/47/38/640444738.db2.gz KPNTWTYRKURPPR-YFHOEESVSA-N 1 0 291.351 2.243 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844447437 640729500 /nfs/dbraw/zinc/72/95/00/640729500.db2.gz OHTIBNGKGAQKPT-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000233953805 641347248 /nfs/dbraw/zinc/34/72/48/641347248.db2.gz JLVNOUYXZASEOF-OASPWFOLSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCCS3)C2)c1 ZINC000877302661 650663077 /nfs/dbraw/zinc/66/30/77/650663077.db2.gz IGQXTNSEWLUNHV-XIVSLSHWSA-N 1 0 296.396 2.370 20 5 CEBDRO CCC[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848477100 642008697 /nfs/dbraw/zinc/00/86/97/642008697.db2.gz LWKDYJJNXMRMOR-CQSZACIVSA-N 1 0 291.351 2.210 20 5 CEBDRO Cn1nc2c(c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000921564533 642244669 /nfs/dbraw/zinc/24/46/69/642244669.db2.gz TXTCHOUSZZZNQN-UHFFFAOYSA-N 1 0 286.335 2.107 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2C=CCC2)c([N+](=O)[O-])cc1OC ZINC000850357927 642681165 /nfs/dbraw/zinc/68/11/65/642681165.db2.gz BTXGAAMANXJYFB-LLVKDONJSA-N 1 0 278.308 2.420 20 5 CEBDRO CON(C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000850478272 642724684 /nfs/dbraw/zinc/72/46/84/642724684.db2.gz QZASQULUUXBBOQ-OAHLLOKOSA-N 1 0 293.367 2.445 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000922556765 643126665 /nfs/dbraw/zinc/12/66/65/643126665.db2.gz XBBJJEUZSVEJSV-TZMCWYRMSA-N 1 0 277.368 2.394 20 5 CEBDRO CC(C)O[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000922611167 643161319 /nfs/dbraw/zinc/16/13/19/643161319.db2.gz HWBPUQLMEOHYCC-HNNXBMFYSA-N 1 0 294.351 2.269 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1C ZINC000922690663 643206544 /nfs/dbraw/zinc/20/65/44/643206544.db2.gz YHLTYQKTOUUHJQ-UHFFFAOYSA-N 1 0 280.353 2.031 20 5 CEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CSC2)c1 ZINC000877635502 650827120 /nfs/dbraw/zinc/82/71/20/650827120.db2.gz UHKZXELLZFFOJT-UHFFFAOYSA-N 1 0 290.291 2.401 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923007328 643507299 /nfs/dbraw/zinc/50/72/99/643507299.db2.gz KHGSYBCPHQNVBR-CZMCAQCFSA-N 1 0 270.716 2.109 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484649 643733363 /nfs/dbraw/zinc/73/33/63/643733363.db2.gz ACUQZYKIWVTAFD-LBPRGKRZSA-N 1 0 293.367 2.164 20 5 CEBDRO CC(C)(C)C[N@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886001817 643805386 /nfs/dbraw/zinc/80/53/86/643805386.db2.gz KMYDRSGBGBZLOI-UHFFFAOYSA-N 1 0 281.356 2.220 20 5 CEBDRO Cc1c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739649 650882884 /nfs/dbraw/zinc/88/28/84/650882884.db2.gz PKWBIRBJBDJJRI-GDBMZVCRSA-N 1 0 289.379 2.429 20 5 CEBDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839734325 644785691 /nfs/dbraw/zinc/78/56/91/644785691.db2.gz SLDSLCZWXUTXIG-ZIAGYGMSSA-N 1 0 291.351 2.132 20 5 CEBDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073258 644982858 /nfs/dbraw/zinc/98/28/58/644982858.db2.gz VOXUXDHOQUACJO-KGLIPLIRSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C1CC1 ZINC000809752317 645206375 /nfs/dbraw/zinc/20/63/75/645206375.db2.gz QKSDPLOWAJWTMJ-CYBMUJFWSA-N 1 0 284.743 2.451 20 5 CEBDRO CC[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858823475 645263535 /nfs/dbraw/zinc/26/35/35/645263535.db2.gz VYPZQXBSQSUKLG-NWDGAFQWSA-N 1 0 263.341 2.480 20 5 CEBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000859567734 645520860 /nfs/dbraw/zinc/52/08/60/645520860.db2.gz YWAKRSHQOWTLRP-UHFFFAOYSA-N 1 0 268.288 2.202 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000859646982 645553538 /nfs/dbraw/zinc/55/35/38/645553538.db2.gz YTPZHXXHDJMFGR-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H]2C)n1 ZINC000765512031 645779503 /nfs/dbraw/zinc/77/95/03/645779503.db2.gz IDBNFCDAHLUWFY-NSHDSACASA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000771185809 646498962 /nfs/dbraw/zinc/49/89/62/646498962.db2.gz HDKDUGHNLYXOEQ-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321476 646703851 /nfs/dbraw/zinc/70/38/51/646703851.db2.gz WRMBMIKBUWLLGW-SOUVJXGZSA-N 1 0 298.346 2.484 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000863561043 646756926 /nfs/dbraw/zinc/75/69/26/646756926.db2.gz BTNONJNBCCVWJU-WFASDCNBSA-N 1 0 294.351 2.035 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)s1 ZINC000863669672 646786114 /nfs/dbraw/zinc/78/61/14/646786114.db2.gz ATGUSFQMCHULTC-RCOVLWMOSA-N 1 0 298.299 2.326 20 5 CEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000774536063 646858880 /nfs/dbraw/zinc/85/88/80/646858880.db2.gz GMSDQOIAYQBELR-QWHCGFSZSA-N 1 0 281.381 2.077 20 5 CEBDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776585065 647074509 /nfs/dbraw/zinc/07/45/09/647074509.db2.gz RZDWJRYVQCMZFL-UHIISALHSA-N 1 0 264.325 2.359 20 5 CEBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776585629 647075322 /nfs/dbraw/zinc/07/53/22/647075322.db2.gz YIVKWOWMTGQCAC-CQSZACIVSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@@H]1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000777445444 647137400 /nfs/dbraw/zinc/13/74/00/647137400.db2.gz MGONFYJZWRXZTH-HFAKWTLXSA-N 1 0 294.351 2.174 20 5 CEBDRO C[C@@H]1C[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1C ZINC000865557177 647358407 /nfs/dbraw/zinc/35/84/07/647358407.db2.gz JFEAKLXVWCMHFE-MWLCHTKSSA-N 1 0 297.330 2.121 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cs1 ZINC000865691440 647425543 /nfs/dbraw/zinc/42/55/43/647425543.db2.gz BBYNPTZKOOKWHK-STXZSOOUSA-N 1 0 280.349 2.169 20 5 CEBDRO CC(C)[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000780497449 647434705 /nfs/dbraw/zinc/43/47/05/647434705.db2.gz LZCAXDYFWCFHAD-LLVKDONJSA-N 1 0 252.318 2.117 20 5 CEBDRO CCN(CCC[NH+](C)C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865718626 647437496 /nfs/dbraw/zinc/43/74/96/647437496.db2.gz BWMVOMLRFMEQBZ-UHFFFAOYSA-N 1 0 299.346 2.004 20 5 CEBDRO Cc1cccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206820 647670937 /nfs/dbraw/zinc/67/09/37/647670937.db2.gz FZTZTANZLCGKQV-OLZOCXBDSA-N 1 0 275.352 2.434 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000866262352 647701538 /nfs/dbraw/zinc/70/15/38/647701538.db2.gz UUZSRGKSJBMZGL-JTQLQIEISA-N 1 0 282.315 2.170 20 5 CEBDRO C[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866274982 647712275 /nfs/dbraw/zinc/71/22/75/647712275.db2.gz BYRGRVGWJGFALB-QWRGUYRKSA-N 1 0 284.331 2.273 20 5 CEBDRO CC(C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783507072 647722118 /nfs/dbraw/zinc/72/21/18/647722118.db2.gz BGNXVPCABMLZRG-UHFFFAOYSA-N 1 0 272.732 2.451 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866396812 647772267 /nfs/dbraw/zinc/77/22/67/647772267.db2.gz AAPAPUFRWTVJCE-XDTLVQLUSA-N 1 0 282.315 2.432 20 5 CEBDRO OC[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000785981218 647975275 /nfs/dbraw/zinc/97/52/75/647975275.db2.gz QBYKUFJCLYJHQB-OAHLLOKOSA-N 1 0 281.355 2.436 20 5 CEBDRO CC[C@H](C)[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942749 647996374 /nfs/dbraw/zinc/99/63/74/647996374.db2.gz VXTJPPRPXVGEET-ZIBATOQPSA-N 1 0 293.367 2.320 20 5 CEBDRO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788615159 648207213 /nfs/dbraw/zinc/20/72/13/648207213.db2.gz VLCWZZMTVARJLS-MFKMUULPSA-N 1 0 281.356 2.499 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624944 648209246 /nfs/dbraw/zinc/20/92/46/648209246.db2.gz IHXYTJHMDDVOJS-WZRBSPASSA-N 1 0 293.367 2.379 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000791053842 648477360 /nfs/dbraw/zinc/47/73/60/648477360.db2.gz HZXJYMPFSPWQMZ-GXTWGEPZSA-N 1 0 264.325 2.021 20 5 CEBDRO C[NH+](C)CCCOC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000791484120 648531569 /nfs/dbraw/zinc/53/15/69/648531569.db2.gz RVBHNODWZSDCNZ-UHFFFAOYSA-N 1 0 298.364 2.182 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+](C)C ZINC000792134993 648613870 /nfs/dbraw/zinc/61/38/70/648613870.db2.gz MPAPOJAKVHJFRN-VAWYXSNFSA-N 1 0 292.335 2.493 20 5 CEBDRO CCC1([NH+](C)C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000870573314 648837627 /nfs/dbraw/zinc/83/76/27/648837627.db2.gz HVUFUIYUCAYEAR-UHFFFAOYSA-N 1 0 299.415 2.155 20 5 CEBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CCC1(C)C ZINC000871149725 649012037 /nfs/dbraw/zinc/01/20/37/649012037.db2.gz HSSYIRXGDCKQON-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034851 649248297 /nfs/dbraw/zinc/24/82/97/649248297.db2.gz LQZRNLUAWSITIU-BXKDBHETSA-N 1 0 270.304 2.401 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127446 649286353 /nfs/dbraw/zinc/28/63/53/649286353.db2.gz TWPMOJMBPOAOJC-GIPNMCIBSA-N 1 0 282.315 2.025 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000872231399 649323020 /nfs/dbraw/zinc/32/30/20/649323020.db2.gz JRRJOJXPRJHOEE-SNVBAGLBSA-N 1 0 292.257 2.306 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872310160 649352820 /nfs/dbraw/zinc/35/28/20/649352820.db2.gz PEIDZHAQMDEHPM-CABCVRRESA-N 1 0 292.335 2.405 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780329 649487381 /nfs/dbraw/zinc/48/73/81/649487381.db2.gz XVBCKBPPDOVTAB-ZIAGYGMSSA-N 1 0 279.315 2.407 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C[S@](C)=O ZINC000873105350 649558879 /nfs/dbraw/zinc/55/88/79/649558879.db2.gz ZSKZZZKIVLSJAQ-DGIBIBHMSA-N 1 0 284.381 2.068 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccnn1C ZINC000873105727 649559388 /nfs/dbraw/zinc/55/93/88/649559388.db2.gz BGFGBTNBZQOGCT-UHFFFAOYSA-N 1 0 288.351 2.277 20 5 CEBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000873163552 649576636 /nfs/dbraw/zinc/57/66/36/649576636.db2.gz SAEXIHKGZCCQPW-GFCCVEGCSA-N 1 0 278.308 2.028 20 5 CEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000124582767 649704789 /nfs/dbraw/zinc/70/47/89/649704789.db2.gz VTWAYQUUQARCNG-SKDRFNHKSA-N 1 0 267.304 2.046 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000879583048 651327275 /nfs/dbraw/zinc/32/72/75/651327275.db2.gz VGRRXLMCLXRJAQ-OCCSQVGLSA-N 1 0 293.342 2.260 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000880145141 651392007 /nfs/dbraw/zinc/39/20/07/651392007.db2.gz HUKZREHIVVSCDI-JTQLQIEISA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1c2sccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000880378086 651433224 /nfs/dbraw/zinc/43/32/24/651433224.db2.gz NUAVTOBFRMCWOB-JTQLQIEISA-N 1 0 292.364 2.472 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211918 651629513 /nfs/dbraw/zinc/62/95/13/651629513.db2.gz KBXAUBACAKZHNX-LBPRGKRZSA-N 1 0 289.339 2.343 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808969 651889516 /nfs/dbraw/zinc/88/95/16/651889516.db2.gz KPPDEGBLKOMKDY-JTQLQIEISA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881808752 651889599 /nfs/dbraw/zinc/88/95/99/651889599.db2.gz BXTRGSBUDZMJGY-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000881816645 651891747 /nfs/dbraw/zinc/89/17/47/651891747.db2.gz UYBCTIZZLKTMRL-NSHDSACASA-N 1 0 294.330 2.194 20 5 CEBDRO CC(=O)c1c(N(C)C[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000882473352 652089084 /nfs/dbraw/zinc/08/90/84/652089084.db2.gz RTBPMYGYCOLEFC-LBPRGKRZSA-N 1 0 291.351 2.328 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001165038997 721893693 /nfs/dbraw/zinc/89/36/93/721893693.db2.gz LDLJHAZMHSCFBQ-SNVBAGLBSA-N 1 0 289.339 2.002 20 5 CEBDRO Cc1cnc(OC[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000697001664 806070541 /nfs/dbraw/zinc/07/05/41/806070541.db2.gz VAXSQNWEMZVKLB-LLVKDONJSA-N 1 0 265.313 2.067 20 5 CEBDRO CC(C)(C)c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168227466 806423245 /nfs/dbraw/zinc/42/32/45/806423245.db2.gz QIZIKYJQGYTLCX-MNOVXSKESA-N 1 0 296.346 2.399 20 5 CEBDRO COC(=O)[C@@H](OCC[N+](C)(C)C)c1cccc(Cl)c1 ZINC001224776011 806951549 /nfs/dbraw/zinc/95/15/49/806951549.db2.gz RFMSWTRGEMXAOX-ZDUSSCGKSA-N 1 0 286.779 2.277 20 5 CEBDRO CC(C)(CCc1noc(C23CCC[NH+]2CCC3)n1)[N+](=O)[O-] ZINC001117985212 814972373 /nfs/dbraw/zinc/97/23/73/814972373.db2.gz GGGULKDENKOCGI-UHFFFAOYSA-N 1 0 294.355 2.142 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1NC(=N)SCC[NH3+] ZINC001167915038 804704269 /nfs/dbraw/zinc/70/42/69/804704269.db2.gz PRBZTYYWWHGWQS-UHFFFAOYSA-N 1 0 284.341 2.032 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225632892 805049367 /nfs/dbraw/zinc/04/93/67/805049367.db2.gz NTXUJZHBOJNHES-LBPRGKRZSA-N 1 0 265.313 2.241 20 5 CEBDRO CC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001269520594 805186105 /nfs/dbraw/zinc/18/61/05/805186105.db2.gz UIJGPGVZQFZEHP-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC001119696109 815150824 /nfs/dbraw/zinc/15/08/24/815150824.db2.gz OSNGUJXJOBGMJC-LBPRGKRZSA-N 1 0 263.341 2.214 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000716910562 815159112 /nfs/dbraw/zinc/15/91/12/815159112.db2.gz SYDFOJFCRHLGAF-JQWIXIFHSA-N 1 0 252.314 2.234 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001120058632 815193730 /nfs/dbraw/zinc/19/37/30/815193730.db2.gz VJXOBHFYVWBAED-UHFFFAOYSA-N 1 0 299.334 2.102 20 5 CEBDRO CC[C@@H](C)C[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168689464 808975419 /nfs/dbraw/zinc/97/54/19/808975419.db2.gz HTHLNQCSZSHURG-ZJUUUORDSA-N 1 0 293.371 2.308 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001120727620 815264326 /nfs/dbraw/zinc/26/43/26/815264326.db2.gz XWWNBQGECJQHAQ-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000702061293 809491915 /nfs/dbraw/zinc/49/19/15/809491915.db2.gz APHLCBHOBVVSHL-ZDUSSCGKSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC001121246745 815323481 /nfs/dbraw/zinc/32/34/81/815323481.db2.gz XDEGGJBSRNZLKW-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC001121246747 815323597 /nfs/dbraw/zinc/32/35/97/815323597.db2.gz XDEGGJBSRNZLKW-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(C)N(CCC[NH3+])c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001164127029 810298911 /nfs/dbraw/zinc/29/89/11/810298911.db2.gz NLOILFWUSRIXTI-UHFFFAOYSA-N 1 0 277.328 2.035 20 5 CEBDRO Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000119290589 810767535 /nfs/dbraw/zinc/76/75/35/810767535.db2.gz REQVIVYSYFCFHI-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC001122252096 815396415 /nfs/dbraw/zinc/39/64/15/815396415.db2.gz KBPJGQHWTJLDAQ-GYSYKLTISA-N 1 0 293.367 2.391 20 5 CEBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155187412 811014544 /nfs/dbraw/zinc/01/45/44/811014544.db2.gz BRWLRGKKBGEUSX-MWLCHTKSSA-N 1 0 272.308 2.305 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001122508084 815419092 /nfs/dbraw/zinc/41/90/92/815419092.db2.gz GIUNWWHYTWQUMM-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC001122586415 815428495 /nfs/dbraw/zinc/42/84/95/815428495.db2.gz JEQNMDVDLJPCPZ-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817094 811244621 /nfs/dbraw/zinc/24/46/21/811244621.db2.gz DBAKPHLYWQTKSI-JTQLQIEISA-N 1 0 290.298 2.044 20 5 CEBDRO COc1cccc(N(CC[NH3+])c2cccnc2)c1[N+](=O)[O-] ZINC001168835690 811263104 /nfs/dbraw/zinc/26/31/04/811263104.db2.gz BZCIBOSJHLFVGE-UHFFFAOYSA-N 1 0 288.307 2.095 20 5 CEBDRO [NH3+]CCc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2cccnc12 ZINC001168978140 811306896 /nfs/dbraw/zinc/30/68/96/811306896.db2.gz OUNQYLQVHYAWJQ-DGCLKSJQSA-N 1 0 288.351 2.155 20 5 CEBDRO [NH3+]CC[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168979217 811307830 /nfs/dbraw/zinc/30/78/30/811307830.db2.gz XFWBBPYPQAFCQL-BFHYXJOUSA-N 1 0 289.379 2.384 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ncoc32)C1 ZINC001168985020 811310879 /nfs/dbraw/zinc/31/08/79/811310879.db2.gz CBQHABABQHVLIS-CMPLNLGQSA-N 1 0 275.308 2.363 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(N)c1 ZINC001168984676 811310905 /nfs/dbraw/zinc/31/09/05/811310905.db2.gz PUOYGMWFVXRZBE-MJVIPROJSA-N 1 0 263.341 2.365 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC001168984967 811311045 /nfs/dbraw/zinc/31/10/45/811311045.db2.gz RHOSJQNCACQIOH-IFUGULHKSA-N 1 0 276.336 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC001168955477 811312528 /nfs/dbraw/zinc/31/25/28/811312528.db2.gz ARURXBABGDFWNC-MNOVXSKESA-N 1 0 254.355 2.326 20 5 CEBDRO Cc1cccnc1CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168958973 811314744 /nfs/dbraw/zinc/31/47/44/811314744.db2.gz RTZWGOVQQIBHHG-KGLIPLIRSA-N 1 0 277.368 2.358 20 5 CEBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168963226 811315587 /nfs/dbraw/zinc/31/55/87/811315587.db2.gz OTXZLRZZMVPCOP-DGCLKSJQSA-N 1 0 263.341 2.352 20 5 CEBDRO [NH3+]CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168965716 811316476 /nfs/dbraw/zinc/31/64/76/811316476.db2.gz CFUXQAODSXAJMM-ZFWWWQNUSA-N 1 0 283.416 2.415 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001168965276 811317394 /nfs/dbraw/zinc/31/73/94/811317394.db2.gz YXVOWWIEIITBBZ-VWYCJHECSA-N 1 0 262.300 2.457 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001168966947 811318995 /nfs/dbraw/zinc/31/89/95/811318995.db2.gz MIDCRCZBSMKMHJ-SKDRFNHKSA-N 1 0 270.279 2.500 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967104 811319381 /nfs/dbraw/zinc/31/93/81/811319381.db2.gz NHKLIEVMGHAYLF-OLZOCXBDSA-N 1 0 264.325 2.230 20 5 CEBDRO [NH3+]CCc1nc2ccccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966831 811319493 /nfs/dbraw/zinc/31/94/93/811319493.db2.gz LMDVZYPOKYCNKV-VXGBXAGGSA-N 1 0 288.351 2.155 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC001168968534 811320092 /nfs/dbraw/zinc/32/00/92/811320092.db2.gz ZYHMPQSTVJYBPB-VXGBXAGGSA-N 1 0 254.355 2.326 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001168972686 811322371 /nfs/dbraw/zinc/32/23/71/811322371.db2.gz NQZDWCHMQANNQN-KBPBESRZSA-N 1 0 282.384 2.228 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)COC2)C1 ZINC001168972561 811322382 /nfs/dbraw/zinc/32/23/82/811322382.db2.gz NIAYEQBJPSGDTP-SMDDNHRTSA-N 1 0 294.326 2.086 20 5 CEBDRO CC1(C)C[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001168994101 811325743 /nfs/dbraw/zinc/32/57/43/811325743.db2.gz PBLXNRUPHLQGQI-UPJWGTAASA-N 1 0 270.373 2.227 20 5 CEBDRO [NH3+]Cc1cc2ccncc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997089 811325859 /nfs/dbraw/zinc/32/58/59/811325859.db2.gz XMTKSSRYTIEECH-PWSUYJOCSA-N 1 0 274.324 2.113 20 5 CEBDRO CCC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997748 811326520 /nfs/dbraw/zinc/32/65/20/811326520.db2.gz FKEPMJYVJZIQHQ-OLZOCXBDSA-N 1 0 270.373 2.228 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001169000896 811327681 /nfs/dbraw/zinc/32/76/81/811327681.db2.gz ZCXJWZLYIOYLOA-RYUDHWBXSA-N 1 0 278.356 2.143 20 5 CEBDRO [NH3+]CCN(c1ccc(F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999767 811328130 /nfs/dbraw/zinc/32/81/30/811328130.db2.gz VLUXTGCGELUBFG-RISCZKNCSA-N 1 0 281.331 2.036 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001169006170 811331443 /nfs/dbraw/zinc/33/14/43/811331443.db2.gz WLOTZNJSHPWASI-TZMCWYRMSA-N 1 0 275.352 2.192 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001169007256 811332640 /nfs/dbraw/zinc/33/26/40/811332640.db2.gz MCOQMCDCSKUVGC-HOCLYGCPSA-N 1 0 295.427 2.382 20 5 CEBDRO Cn1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168989831 811339472 /nfs/dbraw/zinc/33/94/72/811339472.db2.gz WVQAZXUTCDHSPG-VXGBXAGGSA-N 1 0 288.351 2.108 20 5 CEBDRO CC[N@H+](Cc1cccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033637 811346589 /nfs/dbraw/zinc/34/65/89/811346589.db2.gz CRHNTJAKVPZOIE-JSGCOSHPSA-N 1 0 263.341 2.349 20 5 CEBDRO C[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035804 811347298 /nfs/dbraw/zinc/34/72/98/811347298.db2.gz CJVSZTQVVCVOKC-JSGCOSHPSA-N 1 0 276.336 2.247 20 5 CEBDRO C[N@H+](Cc1nccs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036551 811347346 /nfs/dbraw/zinc/34/73/46/811347346.db2.gz GMHOSYIXASCLED-UWVGGRQHSA-N 1 0 255.343 2.020 20 5 CEBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038026 811348303 /nfs/dbraw/zinc/34/83/03/811348303.db2.gz VCZKVJNOIGCKTG-RVMXOQNASA-N 1 0 266.341 2.018 20 5 CEBDRO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037546 811349018 /nfs/dbraw/zinc/34/90/18/811349018.db2.gz SGOYWLAJODZRNY-UPJWGTAASA-N 1 0 270.373 2.321 20 5 CEBDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039039 811349165 /nfs/dbraw/zinc/34/91/65/811349165.db2.gz MPRQFIQSRJXGSB-TUAOUCFPSA-N 1 0 286.372 2.094 20 5 CEBDRO C[N@H+](Cc1cscn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040365 811351366 /nfs/dbraw/zinc/35/13/66/811351366.db2.gz ZJPOKPIGGHRJLQ-ONGXEEELSA-N 1 0 255.343 2.020 20 5 CEBDRO COCC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026573 811354792 /nfs/dbraw/zinc/35/47/92/811354792.db2.gz MYYCPJHDXJKOTQ-MELADBBJSA-N 1 0 270.373 2.323 20 5 CEBDRO CCCC[N@H+](CC(=O)OCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049040 811357513 /nfs/dbraw/zinc/35/75/13/811357513.db2.gz VUJJLNHPHSSDEF-STQMWFEESA-N 1 0 286.372 2.097 20 5 CEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771286889 811954791 /nfs/dbraw/zinc/95/47/91/811954791.db2.gz HGUCAGLZEFNSGR-NXEZZACHSA-N 1 0 294.311 2.032 20 5 CEBDRO COc1ccc(C[C@@H](C)n2ccnc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170300085 812376920 /nfs/dbraw/zinc/37/69/20/812376920.db2.gz WTHDWXBXABSBBM-SNVBAGLBSA-N 1 0 290.323 2.062 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)C(C)=O)c([N+](=O)[O-])c1 ZINC001170298599 812377257 /nfs/dbraw/zinc/37/72/57/812377257.db2.gz MYEWGEHJSZHCLS-JTQLQIEISA-N 1 0 294.351 2.492 20 5 CEBDRO COc1ccc(C[C@H](C)[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC001170329788 812388940 /nfs/dbraw/zinc/38/89/40/812388940.db2.gz UMBLBAIJAUCPAE-JTQLQIEISA-N 1 0 250.298 2.240 20 5 CEBDRO COc1ccc(C[C@H](C)N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329387 812389159 /nfs/dbraw/zinc/38/91/59/812389159.db2.gz PWYDHYJNOOCJAT-LBPRGKRZSA-N 1 0 295.383 2.028 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170309395 812391318 /nfs/dbraw/zinc/39/13/18/812391318.db2.gz QGTZRIZQUCGNRB-VXGBXAGGSA-N 1 0 294.351 2.161 20 5 CEBDRO [NH3+]Cc1ccn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897589 815539858 /nfs/dbraw/zinc/53/98/58/815539858.db2.gz AQDZZFSEIGXHPZ-AWEZNQCLSA-N 1 0 286.335 2.370 20 5 CEBDRO Cc1cc(-n2cc(CC[NH3+])cn2)nc2ccc([N+](=O)[O-])cc12 ZINC001158099449 812606275 /nfs/dbraw/zinc/60/62/75/812606275.db2.gz RTEMTWJABNVPFQ-UHFFFAOYSA-N 1 0 297.318 2.138 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1COC[C@@H]1F)CC2 ZINC001172908052 815541151 /nfs/dbraw/zinc/54/11/51/815541151.db2.gz WOMQCBRTCVAARS-QEJZJMRPSA-N 1 0 294.326 2.169 20 5 CEBDRO Cc1cnc(C[NH3+])n1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158169274 812616971 /nfs/dbraw/zinc/61/69/71/812616971.db2.gz JGQNGKLDYDHQTQ-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC001172895722 815542966 /nfs/dbraw/zinc/54/29/66/815542966.db2.gz IAKPJEYAVWVLMM-FVQBIDKESA-N 1 0 290.363 2.345 20 5 CEBDRO CC(C)C[C@@H](CO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206577750 812668911 /nfs/dbraw/zinc/66/89/11/812668911.db2.gz OMYJWXXTHWZKGW-JTQLQIEISA-N 1 0 293.323 2.233 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000712555793 814766018 /nfs/dbraw/zinc/76/60/18/814766018.db2.gz HLNYXDOPEQSIBZ-LBPRGKRZSA-N 1 0 272.308 2.259 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000712572008 814767445 /nfs/dbraw/zinc/76/74/45/814767445.db2.gz LHJAKHWLXPZQLW-BXUZGUMPSA-N 1 0 263.341 2.340 20 5 CEBDRO CS[C@H]1CC[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116202355 814840067 /nfs/dbraw/zinc/84/00/67/814840067.db2.gz JDIJZRKAJRTXJS-QWRGUYRKSA-N 1 0 284.385 2.007 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1CO ZINC001173223558 815627758 /nfs/dbraw/zinc/62/77/58/815627758.db2.gz AWBJUOYLZNIHSU-DOMZBBRYSA-N 1 0 278.352 2.373 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnoc1 ZINC001173224748 815628053 /nfs/dbraw/zinc/62/80/53/815628053.db2.gz OQYXMUUQVODMCC-NSHDSACASA-N 1 0 275.308 2.346 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCN(C)C1 ZINC001173226039 815629317 /nfs/dbraw/zinc/62/93/17/815629317.db2.gz HFMKPOHHQDHOKY-IUODEOHRSA-N 1 0 277.368 2.162 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cnn(C)c1 ZINC001173234076 815633985 /nfs/dbraw/zinc/63/39/85/815633985.db2.gz MCJASWWZUFCOOA-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1COC(C)(C)OC1 ZINC001173234107 815634510 /nfs/dbraw/zinc/63/45/10/815634510.db2.gz MRIBJMIJAFYKKB-LLVKDONJSA-N 1 0 294.351 2.267 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC001173209457 815635061 /nfs/dbraw/zinc/63/50/61/815635061.db2.gz CBKXZVUVWXHKIU-ZLDLUXBVSA-N 1 0 278.352 2.276 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214581 815637064 /nfs/dbraw/zinc/63/70/64/815637064.db2.gz PJRJXJYVALZPMV-AAEUAGOBSA-N 1 0 298.408 2.229 20 5 CEBDRO CC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177695987 816608277 /nfs/dbraw/zinc/60/82/77/816608277.db2.gz DXAWBVFSFKEDPE-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO C[N@H+](CCCn1ccnc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000124327938 187132701 /nfs/dbraw/zinc/13/27/01/187132701.db2.gz AQJCSVWMFDYQCM-UHFFFAOYSA-N 1 0 288.351 2.356 20 5 CEBDRO CCOC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124475486 187139117 /nfs/dbraw/zinc/13/91/17/187139117.db2.gz JXVJFOBYVVNSGN-UHFFFAOYSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000127749268 187329953 /nfs/dbraw/zinc/32/99/53/187329953.db2.gz PUKJWXLSWIPVMS-ZDUSSCGKSA-N 1 0 293.367 2.349 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000337558771 214155498 /nfs/dbraw/zinc/15/54/98/214155498.db2.gz LIXUABIZBPRHHA-UHFFFAOYSA-N 1 0 269.276 2.014 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121694774 365604818 /nfs/dbraw/zinc/60/48/18/365604818.db2.gz TUGXGBHTUKGSSX-QMMMGPOBSA-N 1 0 271.267 2.379 20 5 CEBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000350685033 219047454 /nfs/dbraw/zinc/04/74/54/219047454.db2.gz MXRKHHJBORJNOV-UHFFFAOYSA-N 1 0 252.318 2.056 20 5 CEBDRO CSC[C@H](CCO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160290 282125477 /nfs/dbraw/zinc/12/54/77/282125477.db2.gz LHUIJYNNYKUFBQ-AAEUAGOBSA-N 1 0 298.408 2.229 20 5 CEBDRO Cc1c(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334268 346823583 /nfs/dbraw/zinc/82/35/83/346823583.db2.gz JYSKXWOZIAZDGD-BBRMVZONSA-N 1 0 289.379 2.477 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000036781462 361856177 /nfs/dbraw/zinc/85/61/77/361856177.db2.gz HPNMARBBNXXDQQ-NSHDSACASA-N 1 0 279.340 2.078 20 5 CEBDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000036959501 361874648 /nfs/dbraw/zinc/87/46/48/361874648.db2.gz IZYJSACYMIYFLE-VXGBXAGGSA-N 1 0 293.367 2.469 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H](C)O ZINC000449232677 282151162 /nfs/dbraw/zinc/15/11/62/282151162.db2.gz ISXOGSSTHUUBMK-UTUOFQBUSA-N 1 0 266.341 2.275 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000037738751 361926868 /nfs/dbraw/zinc/92/68/68/361926868.db2.gz GGCGAOXQDJNSHJ-GFCCVEGCSA-N 1 0 250.298 2.029 20 5 CEBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782986 361937578 /nfs/dbraw/zinc/93/75/78/361937578.db2.gz PMJDSXVZCRWTOT-VXGBXAGGSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccncc2)c1 ZINC000037871549 361957741 /nfs/dbraw/zinc/95/77/41/361957741.db2.gz ZDAGLBDKFMIJFL-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745526 187198320 /nfs/dbraw/zinc/19/83/20/187198320.db2.gz ZAKYQYLDKDMNPY-SWLSCSKDSA-N 1 0 294.351 2.035 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)cc1[N+](=O)[O-] ZINC000126041687 187212788 /nfs/dbraw/zinc/21/27/88/187212788.db2.gz QCDRAYAZJIEURL-JOYOIKCWSA-N 1 0 277.324 2.230 20 5 CEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449419777 282228213 /nfs/dbraw/zinc/22/82/13/282228213.db2.gz HYFQBWWHCPWBTG-UKRRQHHQSA-N 1 0 278.352 2.496 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)C2CC2)c([N+](=O)[O-])cc1O ZINC000449447264 282241052 /nfs/dbraw/zinc/24/10/52/282241052.db2.gz YELIYMVYZPRSCP-QMMMGPOBSA-N 1 0 266.297 2.197 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567795410 299092326 /nfs/dbraw/zinc/09/23/26/299092326.db2.gz ULNKEAWNJWQOGY-DOMZBBRYSA-N 1 0 292.335 2.084 20 5 CEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449462195 282246208 /nfs/dbraw/zinc/24/62/08/282246208.db2.gz UUWSULDRTHGSSK-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO CCOC(=O)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045685344 362165034 /nfs/dbraw/zinc/16/50/34/362165034.db2.gz VKBMZIVETSYPQI-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000024205127 343383141 /nfs/dbraw/zinc/38/31/41/343383141.db2.gz UGCLPEUKNYYNOU-NSHDSACASA-N 1 0 283.376 2.107 20 5 CEBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000036257419 343423171 /nfs/dbraw/zinc/42/31/71/343423171.db2.gz NCQAKZJXITZNFK-VIFPVBQESA-N 1 0 295.364 2.061 20 5 CEBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000041319202 343439488 /nfs/dbraw/zinc/43/94/88/343439488.db2.gz BZVPEKHYRXDRDK-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1OCC1CC[NH2+]CC1 ZINC000043497990 343464582 /nfs/dbraw/zinc/46/45/82/343464582.db2.gz NCIAMTFPKFODEN-UHFFFAOYSA-N 1 0 250.298 2.282 20 5 CEBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000295018288 199301924 /nfs/dbraw/zinc/30/19/24/199301924.db2.gz KHRXGPQPPGGCOG-JTQLQIEISA-N 1 0 252.314 2.234 20 5 CEBDRO Cc1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000057157607 343625238 /nfs/dbraw/zinc/62/52/38/343625238.db2.gz WIPNSFHPAUHGDX-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449583577 282292578 /nfs/dbraw/zinc/29/25/78/282292578.db2.gz BOUYLBWCFPIRBQ-YUMQZZPRSA-N 1 0 293.348 2.275 20 5 CEBDRO CC[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060575337 343660473 /nfs/dbraw/zinc/66/04/73/343660473.db2.gz BLQNOGJYZMXWJX-YPMHNXCESA-N 1 0 282.340 2.065 20 5 CEBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000273167528 192063638 /nfs/dbraw/zinc/06/36/38/192063638.db2.gz CSQMMEJNQVUDLX-JTQLQIEISA-N 1 0 295.314 2.404 20 5 CEBDRO CC(C)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000066796853 343722177 /nfs/dbraw/zinc/72/21/77/343722177.db2.gz XGJLXBAVYMZGEC-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449598865 282298597 /nfs/dbraw/zinc/29/85/97/282298597.db2.gz DRNJHDFNSZBMQT-NSHDSACASA-N 1 0 293.367 2.332 20 5 CEBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449603631 282300972 /nfs/dbraw/zinc/30/09/72/282300972.db2.gz RDZUKOHKCLXGLQ-NWDGAFQWSA-N 1 0 293.367 2.030 20 5 CEBDRO [NH3+]CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000128120896 187353313 /nfs/dbraw/zinc/35/33/13/187353313.db2.gz VLELQCAATVSXHJ-UHFFFAOYSA-N 1 0 297.742 2.059 20 5 CEBDRO Cc1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660891 343960435 /nfs/dbraw/zinc/96/04/35/343960435.db2.gz XOWUYNILRZQQHR-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078670880 343960938 /nfs/dbraw/zinc/96/09/38/343960938.db2.gz IUOZMOBWJJJREW-ZDUSSCGKSA-N 1 0 292.383 2.466 20 5 CEBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000048753668 362301171 /nfs/dbraw/zinc/30/11/71/362301171.db2.gz ALJVRNIZJPDIMY-JTQLQIEISA-N 1 0 297.380 2.179 20 5 CEBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439313 347033089 /nfs/dbraw/zinc/03/30/89/347033089.db2.gz JUVVQUIKBPAVCR-GFCCVEGCSA-N 1 0 266.345 2.339 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCO1 ZINC000101588962 344249066 /nfs/dbraw/zinc/24/90/66/344249066.db2.gz PATHNKMDUVCFJJ-ZDUSSCGKSA-N 1 0 280.324 2.262 20 5 CEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129256069 344342532 /nfs/dbraw/zinc/34/25/32/344342532.db2.gz NGFAPWYTAWNNEB-KWQFWETISA-N 1 0 297.742 2.200 20 5 CEBDRO CC[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473105 347047713 /nfs/dbraw/zinc/04/77/13/347047713.db2.gz JUJVMCWGYBZQAA-ZDUSSCGKSA-N 1 0 266.345 2.340 20 5 CEBDRO CC(C)(C)OCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000122223027 344305548 /nfs/dbraw/zinc/30/55/48/344305548.db2.gz VYIWLTRRRUJVCV-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO CC[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122585724 344306854 /nfs/dbraw/zinc/30/68/54/344306854.db2.gz GKEKLTZWYHFJLI-AAEUAGOBSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122535055 344307049 /nfs/dbraw/zinc/30/70/49/344307049.db2.gz AIGOUAKRKDOCFZ-LLVKDONJSA-N 1 0 250.298 2.282 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000122555762 344307074 /nfs/dbraw/zinc/30/70/74/344307074.db2.gz KXVADEIZZXCVAI-SECBINFHSA-N 1 0 254.261 2.112 20 5 CEBDRO CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963354 362387738 /nfs/dbraw/zinc/38/77/38/362387738.db2.gz XTSFWROCRUOQGD-SECBINFHSA-N 1 0 258.705 2.109 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC(F)(F)F ZINC000050015720 362389839 /nfs/dbraw/zinc/38/98/39/362389839.db2.gz ULBVRXLFJIOTMM-UHFFFAOYSA-N 1 0 278.230 2.263 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000156202504 344441748 /nfs/dbraw/zinc/44/17/48/344441748.db2.gz NJZAEMZQLHRKIH-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[C@H]([NH2+]CC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157376271 344445935 /nfs/dbraw/zinc/44/59/35/344445935.db2.gz XWCHYLPORWYMSI-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO [NH2+]=C(NCc1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000052048469 362463142 /nfs/dbraw/zinc/46/31/42/362463142.db2.gz XOSYMJXANPMOCA-UHFFFAOYSA-N 1 0 262.313 2.151 20 5 CEBDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248375786 344622404 /nfs/dbraw/zinc/62/24/04/344622404.db2.gz XZIXCDPSYVNMOU-DGCLKSJQSA-N 1 0 294.351 2.065 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310670873 344730990 /nfs/dbraw/zinc/73/09/90/344730990.db2.gz HLGHKEJCQDZCLX-MRVPVSSYSA-N 1 0 270.720 2.149 20 5 CEBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000315888725 344748345 /nfs/dbraw/zinc/74/83/45/344748345.db2.gz BGEWMGPVCNWAAO-JTQLQIEISA-N 1 0 299.334 2.187 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H]1CCO1 ZINC000602547150 347072627 /nfs/dbraw/zinc/07/26/27/347072627.db2.gz AJSJTPIKAVTUFO-ZDUSSCGKSA-N 1 0 280.324 2.262 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000602550871 347073322 /nfs/dbraw/zinc/07/33/22/347073322.db2.gz DOPNBDLRBJKXLP-ZDUSSCGKSA-N 1 0 286.335 2.008 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305711 344872196 /nfs/dbraw/zinc/87/21/96/344872196.db2.gz KDHWMTGIGNGTCF-VWYCJHECSA-N 1 0 250.298 2.423 20 5 CEBDRO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000584819064 344989525 /nfs/dbraw/zinc/98/95/25/344989525.db2.gz SCGUWYWKJBPBSF-CYBMUJFWSA-N 1 0 292.339 2.232 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000590053087 345111222 /nfs/dbraw/zinc/11/12/22/345111222.db2.gz XRCBINWZLMKTTK-ARTVWEGUSA-N 1 0 287.363 2.244 20 5 CEBDRO Cc1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052497 345111710 /nfs/dbraw/zinc/11/17/10/345111710.db2.gz DAPSLQRBYKQYSL-UKRRQHHQSA-N 1 0 275.352 2.039 20 5 CEBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000590723792 345168553 /nfs/dbraw/zinc/16/85/53/345168553.db2.gz RIESHLCBCVUHBD-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000591442857 345255691 /nfs/dbraw/zinc/25/56/91/345255691.db2.gz BDISTZBBKFJGIR-QWHCGFSZSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CCCC[NH2+]1 ZINC000591430007 345251975 /nfs/dbraw/zinc/25/19/75/345251975.db2.gz OJFHKQXKKLPBRV-LBPRGKRZSA-N 1 0 286.335 2.119 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000591440716 345255087 /nfs/dbraw/zinc/25/50/87/345255087.db2.gz MLGWKIAQTUEMLX-SMDDNHRTSA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1ccc([C@H](C)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591579936 345266865 /nfs/dbraw/zinc/26/68/65/345266865.db2.gz ANGZKXFEHYRMIG-DRZSPHRISA-N 1 0 281.331 2.254 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592357380 345344851 /nfs/dbraw/zinc/34/48/51/345344851.db2.gz ZGDDXWNQMIQMEL-JTQLQIEISA-N 1 0 290.279 2.078 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000593048687 345428589 /nfs/dbraw/zinc/42/85/89/345428589.db2.gz FKYMABNAVFOPLJ-UHFFFAOYSA-N 1 0 276.336 2.332 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066773 345432368 /nfs/dbraw/zinc/43/23/68/345432368.db2.gz DRBHFAXPFSVEHZ-CYBMUJFWSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592744260 345392164 /nfs/dbraw/zinc/39/21/64/345392164.db2.gz RZSGBBMRCMDCSO-ZYHUDNBSSA-N 1 0 277.324 2.182 20 5 CEBDRO CN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000593514434 345501548 /nfs/dbraw/zinc/50/15/48/345501548.db2.gz ACMCWUCJVDTGBP-UHFFFAOYSA-N 1 0 282.319 2.051 20 5 CEBDRO C[C@H](CCO)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694995 345523172 /nfs/dbraw/zinc/52/31/72/345523172.db2.gz VRUMMEZCQWTWCN-HOSRBBHYSA-N 1 0 264.325 2.311 20 5 CEBDRO Cc1c(NC(=O)NCCC2(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000593758615 345533844 /nfs/dbraw/zinc/53/38/44/345533844.db2.gz MPMPWQSKRBXDMR-UHFFFAOYSA-N 1 0 292.339 2.154 20 5 CEBDRO C[C@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594055959 345575225 /nfs/dbraw/zinc/57/52/25/345575225.db2.gz QPPUHWZEZRRTGW-LBPRGKRZSA-N 1 0 294.351 2.209 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)CC1CC1 ZINC000594499074 345639110 /nfs/dbraw/zinc/63/91/10/345639110.db2.gz AGKUYAJLEBGTCH-RISCZKNCSA-N 1 0 276.336 2.333 20 5 CEBDRO O=[N+]([O-])c1ccc(-n2cc(C[NH2+]C3CCCC3)nn2)cc1 ZINC000594640052 345664363 /nfs/dbraw/zinc/66/43/63/345664363.db2.gz FZCAORJGNBEKSH-UHFFFAOYSA-N 1 0 287.323 2.208 20 5 CEBDRO CC[C@H](C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594717705 345677645 /nfs/dbraw/zinc/67/76/45/345677645.db2.gz FIMINQICOFJRED-QWHCGFSZSA-N 1 0 296.367 2.360 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595110250 345743526 /nfs/dbraw/zinc/74/35/26/345743526.db2.gz ZQIAPDLUOGDGHP-BIMULSAOSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595230787 345746487 /nfs/dbraw/zinc/74/64/87/345746487.db2.gz UMVMSQTVFCCOGV-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293052 345755916 /nfs/dbraw/zinc/75/59/16/345755916.db2.gz WSEOYRNIAVHADE-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO Cc1cccc2[nH]c(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc21 ZINC000594930275 345706041 /nfs/dbraw/zinc/70/60/41/345706041.db2.gz DTUPNRROVKJNTM-UHFFFAOYSA-N 1 0 299.334 2.371 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000595010878 345725973 /nfs/dbraw/zinc/72/59/73/345725973.db2.gz ZNPDQBYWIQBYLE-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000595046721 345734666 /nfs/dbraw/zinc/73/46/66/345734666.db2.gz QQQJDZZGNLGFCC-VWYCJHECSA-N 1 0 280.324 2.431 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C[NH+](C)C ZINC000595052726 345735590 /nfs/dbraw/zinc/73/55/90/345735590.db2.gz URHDSZXVGDXGIC-WDEREUQCSA-N 1 0 281.356 2.204 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000595450584 345785999 /nfs/dbraw/zinc/78/59/99/345785999.db2.gz UWTAJOCMGOZPAG-GFCCVEGCSA-N 1 0 268.288 2.081 20 5 CEBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595450639 345786252 /nfs/dbraw/zinc/78/62/52/345786252.db2.gz UQDMWRMIPVUSRN-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO COC[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000595509543 345799648 /nfs/dbraw/zinc/79/96/48/345799648.db2.gz HGUZVZWLRKSPGJ-LLVKDONJSA-N 1 0 282.340 2.081 20 5 CEBDRO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660326 345841476 /nfs/dbraw/zinc/84/14/76/345841476.db2.gz FEDBOWUIHICBEF-SWLSCSKDSA-N 1 0 294.351 2.129 20 5 CEBDRO CCC(C)(C)[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000595638616 345834336 /nfs/dbraw/zinc/83/43/36/345834336.db2.gz ISOUPXNUPPSELE-JTQLQIEISA-N 1 0 254.334 2.206 20 5 CEBDRO CO[C@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595660325 345840948 /nfs/dbraw/zinc/84/09/48/345840948.db2.gz FEDBOWUIHICBEF-IUODEOHRSA-N 1 0 294.351 2.129 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595767148 345871031 /nfs/dbraw/zinc/87/10/31/345871031.db2.gz VJBQGKFGTAGLCV-TVQRCGJNSA-N 1 0 268.288 2.079 20 5 CEBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595874394 345903807 /nfs/dbraw/zinc/90/38/07/345903807.db2.gz ODXOSJDFSGXGFY-DOMZBBRYSA-N 1 0 278.352 2.088 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C[NH3+])C(F)(F)F ZINC000595909277 345911480 /nfs/dbraw/zinc/91/14/80/345911480.db2.gz RANCVBIUYMLJIF-JTQLQIEISA-N 1 0 295.236 2.055 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC2CC1(C[NH3+])C2 ZINC000595909315 345911523 /nfs/dbraw/zinc/91/15/23/345911523.db2.gz LJCXLAZHOODBHP-IFQILLTASA-N 1 0 261.325 2.079 20 5 CEBDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595931417 345914462 /nfs/dbraw/zinc/91/44/62/345914462.db2.gz WYXYMGOZFSMVTQ-JQWIXIFHSA-N 1 0 279.340 2.078 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595985851 345921037 /nfs/dbraw/zinc/92/10/37/345921037.db2.gz MPRRXIRSWQSZJB-HNNXBMFYSA-N 1 0 291.351 2.200 20 5 CEBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595983502 345921280 /nfs/dbraw/zinc/92/12/80/345921280.db2.gz PMEKOBGXPXURQR-SNVBAGLBSA-N 1 0 293.367 2.230 20 5 CEBDRO C[NH+](C)CC1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596192928 345965894 /nfs/dbraw/zinc/96/58/94/345965894.db2.gz YNFZVUQGJQZYFL-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO Cc1cc(Nc2cnn(CC[NH+](C)C)c2)c([N+](=O)[O-])s1 ZINC000596097407 345939236 /nfs/dbraw/zinc/93/92/36/345939236.db2.gz NUAMOFCJNWZHIA-UHFFFAOYSA-N 1 0 295.368 2.466 20 5 CEBDRO Cc1nn(C)c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306905 345995507 /nfs/dbraw/zinc/99/55/07/345995507.db2.gz JQEXTURFETZTIQ-LLVKDONJSA-N 1 0 295.387 2.169 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ncc1[N+](=O)[O-] ZINC000596309292 345995992 /nfs/dbraw/zinc/99/59/92/345995992.db2.gz XRDJKMQMPJSYIB-LLVKDONJSA-N 1 0 278.356 2.005 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596334494 346002297 /nfs/dbraw/zinc/00/22/97/346002297.db2.gz AKMQLPWNGCOAOB-NSHDSACASA-N 1 0 295.387 2.404 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302295 187362440 /nfs/dbraw/zinc/36/24/40/187362440.db2.gz MPYGUBXBCAQBJM-STQMWFEESA-N 1 0 264.325 2.152 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000596452438 346027574 /nfs/dbraw/zinc/02/75/74/346027574.db2.gz DIMRGYMQNBQCOY-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597071337 346123775 /nfs/dbraw/zinc/12/37/75/346123775.db2.gz USQNJXDHGDMGLA-ZFWWWQNUSA-N 1 0 276.336 2.294 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859027 346239815 /nfs/dbraw/zinc/23/98/15/346239815.db2.gz QCBKXXKCQVDIRK-CYBMUJFWSA-N 1 0 291.351 2.197 20 5 CEBDRO C[C@H](CNCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000060942152 362672557 /nfs/dbraw/zinc/67/25/57/362672557.db2.gz CYPDPCXDBKHDKY-CYBMUJFWSA-N 1 0 277.368 2.416 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647128 346391923 /nfs/dbraw/zinc/39/19/23/346391923.db2.gz NRRXASZHNOLFKK-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000599006286 346445584 /nfs/dbraw/zinc/44/55/84/346445584.db2.gz GJLWVLMTMPUWNI-GHMZBOCLSA-N 1 0 268.338 2.313 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599014819 346446393 /nfs/dbraw/zinc/44/63/93/346446393.db2.gz GUHPTCSZZSHZQP-HOMQSWHASA-N 1 0 254.261 2.001 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599093137 346459088 /nfs/dbraw/zinc/45/90/88/346459088.db2.gz OVAXYOGHYJLKPC-IRUJWGPZSA-N 1 0 250.298 2.423 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599106658 346461179 /nfs/dbraw/zinc/46/11/79/346461179.db2.gz GDUCZWSIHSUWPZ-UHFFFAOYSA-N 1 0 286.335 2.141 20 5 CEBDRO Cc1cnc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599137806 346465862 /nfs/dbraw/zinc/46/58/62/346465862.db2.gz DFAWPICTFGRZCN-LBPRGKRZSA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000063002552 362741454 /nfs/dbraw/zinc/74/14/54/362741454.db2.gz MEJVWSJWDJKRRQ-MRXNPFEDSA-N 1 0 286.331 2.461 20 5 CEBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000599671682 346559305 /nfs/dbraw/zinc/55/93/05/346559305.db2.gz QSIILHRIWFSZJX-WFASDCNBSA-N 1 0 291.351 2.021 20 5 CEBDRO CCC(O)(CC)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000599672233 346560142 /nfs/dbraw/zinc/56/01/42/346560142.db2.gz ATWAWKPFBFLDCX-UHFFFAOYSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1(F)F ZINC000599513318 346531094 /nfs/dbraw/zinc/53/10/94/346531094.db2.gz SAVZDUUBSZMEIE-NXEZZACHSA-N 1 0 288.298 2.014 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599638436 346551297 /nfs/dbraw/zinc/55/12/97/346551297.db2.gz YWDNTWMGTAAUHB-DZGCQCFKSA-N 1 0 276.336 2.189 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600679740 346672678 /nfs/dbraw/zinc/67/26/78/346672678.db2.gz OAJFCVRHQGTVMS-WCQYABFASA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1c([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000600712907 346675774 /nfs/dbraw/zinc/67/57/74/346675774.db2.gz CSURMEHXDBIZRP-GMXVVIOVSA-N 1 0 263.341 2.304 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601140554 346766964 /nfs/dbraw/zinc/76/69/64/346766964.db2.gz YKFMVBCZPKAEQP-GFCCVEGCSA-N 1 0 252.314 2.236 20 5 CEBDRO C[C@](CO)([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148489 346769837 /nfs/dbraw/zinc/76/98/37/346769837.db2.gz COEDBPOKUIVQAV-SMDDNHRTSA-N 1 0 296.392 2.145 20 5 CEBDRO O=[N+]([O-])c1ccc2nccc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601109682 346755481 /nfs/dbraw/zinc/75/54/81/346755481.db2.gz WUMKOBHXSHQXQL-NSHDSACASA-N 1 0 298.346 2.214 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601109954 346755738 /nfs/dbraw/zinc/75/57/38/346755738.db2.gz WXMGCPGJLXLDBX-NSHDSACASA-N 1 0 282.319 2.096 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC([NH+]2CCCC2)C1 ZINC000601194267 346783360 /nfs/dbraw/zinc/78/33/60/346783360.db2.gz WPIQBEBTQHTCOB-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CCCOC3)cc1 ZINC000602687847 347147008 /nfs/dbraw/zinc/14/70/08/347147008.db2.gz FKYCKRIVIIAYIS-UHFFFAOYSA-N 1 0 276.336 2.250 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602654537 347125453 /nfs/dbraw/zinc/12/54/53/347125453.db2.gz MWTVOSXLAJNTCF-TZMCWYRMSA-N 1 0 278.352 2.400 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000602792085 347199887 /nfs/dbraw/zinc/19/98/87/347199887.db2.gz UTVIUQPKQBTWLJ-CYBMUJFWSA-N 1 0 289.339 2.265 20 5 CEBDRO CCN(C#N)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602801276 347205109 /nfs/dbraw/zinc/20/51/09/347205109.db2.gz MSTZVOYKMDJHKC-LLVKDONJSA-N 1 0 262.313 2.048 20 5 CEBDRO CCN(C#N)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602806460 347207584 /nfs/dbraw/zinc/20/75/84/347207584.db2.gz UCTBSXOFXSEUIC-LLVKDONJSA-N 1 0 262.313 2.048 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1 ZINC000602807558 347207610 /nfs/dbraw/zinc/20/76/10/347207610.db2.gz VYPVRYQMFBYETC-NSHDSACASA-N 1 0 274.324 2.451 20 5 CEBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602811932 347210385 /nfs/dbraw/zinc/21/03/85/347210385.db2.gz ZZISHNDHTFSJQZ-GFCCVEGCSA-N 1 0 266.345 2.483 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000602740020 347180961 /nfs/dbraw/zinc/18/09/61/347180961.db2.gz QAOSUFHEENVYLQ-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C(C)C ZINC000602760452 347186761 /nfs/dbraw/zinc/18/67/61/347186761.db2.gz OZUWYXXKDNCKGJ-SNVBAGLBSA-N 1 0 254.334 2.076 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)C1CC1 ZINC000602763597 347188755 /nfs/dbraw/zinc/18/87/55/347188755.db2.gz QKPCUIIWUXNZAR-UHFFFAOYSA-N 1 0 266.345 2.220 20 5 CEBDRO CC[C@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602823560 347213557 /nfs/dbraw/zinc/21/35/57/347213557.db2.gz VNNPDFHGCMTWHC-NWDGAFQWSA-N 1 0 266.345 2.268 20 5 CEBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000602873434 347233761 /nfs/dbraw/zinc/23/37/61/347233761.db2.gz ONFCLYWQIIUGAF-QWHCGFSZSA-N 1 0 296.371 2.037 20 5 CEBDRO CO[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896402 347240816 /nfs/dbraw/zinc/24/08/16/347240816.db2.gz GPWJEHYXWXQVKZ-FZMZJTMJSA-N 1 0 280.324 2.269 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000065223079 362805114 /nfs/dbraw/zinc/80/51/14/362805114.db2.gz VBMCWLWSNXMXHT-AWEZNQCLSA-N 1 0 280.324 2.084 20 5 CEBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000603056839 347278144 /nfs/dbraw/zinc/27/81/44/347278144.db2.gz VLMBLPFVWMSAKV-LBPRGKRZSA-N 1 0 295.383 2.371 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185626 347303203 /nfs/dbraw/zinc/30/32/03/347303203.db2.gz KSGYGBBUEZWXBA-VHSXEESVSA-N 1 0 275.312 2.076 20 5 CEBDRO C[NH+](C)C1(CNc2ccsc2[N+](=O)[O-])CCOCC1 ZINC000609613848 347646447 /nfs/dbraw/zinc/64/64/47/347646447.db2.gz RWILWLNGAZWKJN-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO Cc1sc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610111765 347660411 /nfs/dbraw/zinc/66/04/11/347660411.db2.gz CKIVMYMRJNAKGW-UHFFFAOYSA-N 1 0 299.396 2.379 20 5 CEBDRO CC(C)CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610514349 347688165 /nfs/dbraw/zinc/68/81/65/347688165.db2.gz HLJLIKMRZQPIAZ-NSHDSACASA-N 1 0 299.396 2.425 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000610585341 347694379 /nfs/dbraw/zinc/69/43/79/347694379.db2.gz LFFZYBJBAOJSFG-FZMZJTMJSA-N 1 0 262.309 2.458 20 5 CEBDRO Cc1cnc(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000610283966 347669642 /nfs/dbraw/zinc/66/96/42/347669642.db2.gz FDEIEGDIHZJRFF-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610282891 347669682 /nfs/dbraw/zinc/66/96/82/347669682.db2.gz JGACLORPYQBMSA-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO C[C@@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611272301 347761873 /nfs/dbraw/zinc/76/18/73/347761873.db2.gz ZYPSVSCAECOPBI-GHMZBOCLSA-N 1 0 292.335 2.454 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC1 ZINC000611337217 347767462 /nfs/dbraw/zinc/76/74/62/347767462.db2.gz IUGTYAASWXDPCR-QWRGUYRKSA-N 1 0 250.298 2.343 20 5 CEBDRO COCC1(N(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611178735 347748690 /nfs/dbraw/zinc/74/86/90/347748690.db2.gz LTFDYKUPTHAKNG-UHFFFAOYSA-N 1 0 268.288 2.345 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C1CC1 ZINC000611206788 347751121 /nfs/dbraw/zinc/75/11/21/347751121.db2.gz IFYHIGCSDROMCR-YGRLFVJLSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000336842719 365916818 /nfs/dbraw/zinc/91/68/18/365916818.db2.gz VCLZUHRBPRGHLE-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO C[N@@H+]1CCCC12CCN(c1cccnc1[N+](=O)[O-])CC2 ZINC000611509822 347788200 /nfs/dbraw/zinc/78/82/00/347788200.db2.gz VFLKGYJBDHOUAV-UHFFFAOYSA-N 1 0 276.340 2.054 20 5 CEBDRO COc1cc(C[NH2+]C2(CO)CCCCC2)ccc1[N+](=O)[O-] ZINC000611516751 347789464 /nfs/dbraw/zinc/78/94/64/347789464.db2.gz QENBVLABMKDMHT-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612134770 347848342 /nfs/dbraw/zinc/84/83/42/347848342.db2.gz CRALIIMQZZFCIC-DZGBDDFRSA-N 1 0 276.336 2.359 20 5 CEBDRO Cc1c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000128836960 187393059 /nfs/dbraw/zinc/39/30/59/187393059.db2.gz UBYVDPZORLPYPC-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450420994 282602982 /nfs/dbraw/zinc/60/29/82/282602982.db2.gz CYBTVFGJPWDFGW-LLVKDONJSA-N 1 0 278.356 2.156 20 5 CEBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000568783104 299153860 /nfs/dbraw/zinc/15/38/60/299153860.db2.gz MKQNWIRLFRVYPU-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCOC1 ZINC000273448067 192154682 /nfs/dbraw/zinc/15/46/82/192154682.db2.gz OFALYGXUNTWWES-ZDUSSCGKSA-N 1 0 250.298 2.124 20 5 CEBDRO O=[N+]([O-])c1ncccc1NCC1CC[NH+](C2CC2)CC1 ZINC000618345893 348928552 /nfs/dbraw/zinc/92/85/52/348928552.db2.gz UTJBLUSUXNFKRS-UHFFFAOYSA-N 1 0 276.340 2.276 20 5 CEBDRO COCC[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000618551184 348973733 /nfs/dbraw/zinc/97/37/33/348973733.db2.gz ZXFDNUWIWBEKTB-AWEZNQCLSA-N 1 0 298.314 2.019 20 5 CEBDRO C=Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000618600490 348994227 /nfs/dbraw/zinc/99/42/27/348994227.db2.gz SVOUYPYFXFBWEG-UHFFFAOYSA-N 1 0 272.308 2.224 20 5 CEBDRO Cc1c(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339386 233176576 /nfs/dbraw/zinc/17/65/76/233176576.db2.gz GITLJDFOKVPLOZ-AAEUAGOBSA-N 1 0 263.341 2.133 20 5 CEBDRO CN(CC[NH+]1CCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352029496 219295648 /nfs/dbraw/zinc/29/56/48/219295648.db2.gz RTJNRRSFJZWVPO-UHFFFAOYSA-N 1 0 299.321 2.401 20 5 CEBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000274064351 192424890 /nfs/dbraw/zinc/42/48/90/192424890.db2.gz PDFDPFMGKIZCNP-SNVBAGLBSA-N 1 0 276.296 2.048 20 5 CEBDRO CCC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552241 180002742 /nfs/dbraw/zinc/00/27/42/180002742.db2.gz LDJQDIWIIILVEA-CYBMUJFWSA-N 1 0 293.367 2.269 20 5 CEBDRO Cc1cnc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000090692229 180024396 /nfs/dbraw/zinc/02/43/96/180024396.db2.gz GULVWBIOZNSMPT-UHFFFAOYSA-N 1 0 252.318 2.050 20 5 CEBDRO C[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271292742 191055914 /nfs/dbraw/zinc/05/59/14/191055914.db2.gz CKHFJXQZOMJWQF-UHFFFAOYSA-N 1 0 272.308 2.059 20 5 CEBDRO Cc1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000091672912 180224452 /nfs/dbraw/zinc/22/44/52/180224452.db2.gz IEEVRBFIAPPNEM-OLZOCXBDSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091672586 180224667 /nfs/dbraw/zinc/22/46/67/180224667.db2.gz AODNJKHTYOVYTB-KGLIPLIRSA-N 1 0 291.351 2.178 20 5 CEBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339713368 215310181 /nfs/dbraw/zinc/31/01/81/215310181.db2.gz ZXTBZZFREFVHCU-LBPRGKRZSA-N 1 0 291.351 2.072 20 5 CEBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000092026791 180308755 /nfs/dbraw/zinc/30/87/55/180308755.db2.gz NDMDPWJPEWGFSU-NSHDSACASA-N 1 0 276.340 2.194 20 5 CEBDRO CCc1nn(C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000092375531 180371179 /nfs/dbraw/zinc/37/11/79/180371179.db2.gz KWNLCTCNCRGPIQ-UHFFFAOYSA-N 1 0 274.324 2.181 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106466527 186120220 /nfs/dbraw/zinc/12/02/20/186120220.db2.gz FUQIUZGAINVPQB-GFCCVEGCSA-N 1 0 295.383 2.423 20 5 CEBDRO CCOCC[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000107677827 186184901 /nfs/dbraw/zinc/18/49/01/186184901.db2.gz OAZPUKIXZGTBRS-UHFFFAOYSA-N 1 0 282.340 2.332 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000109805277 186274384 /nfs/dbraw/zinc/27/43/84/186274384.db2.gz LUKGBLNBQNPPKF-AWEZNQCLSA-N 1 0 293.367 2.129 20 5 CEBDRO Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000110791463 186324646 /nfs/dbraw/zinc/32/46/46/186324646.db2.gz BMHDCNVOWIHTMP-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010169 186342372 /nfs/dbraw/zinc/34/23/72/186342372.db2.gz UETPRFVPNXITOY-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cn1cccn1 ZINC000069787027 363001423 /nfs/dbraw/zinc/00/14/23/363001423.db2.gz QJZOAXIPQMRBJQ-LBPRGKRZSA-N 1 0 274.324 2.217 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000070149088 363036518 /nfs/dbraw/zinc/03/65/18/363036518.db2.gz QQSBYAZQBXCJRS-CYBMUJFWSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070172825 363046357 /nfs/dbraw/zinc/04/63/57/363046357.db2.gz YZNGLFBIQAWBIZ-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000070177145 363048579 /nfs/dbraw/zinc/04/85/79/363048579.db2.gz JJFMCVVRPYQDTA-GWCFXTLKSA-N 1 0 292.339 2.186 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131473202 366056558 /nfs/dbraw/zinc/05/65/58/366056558.db2.gz JRIVLYKCKCCGSY-GRYCIOLGSA-N 1 0 263.341 2.325 20 5 CEBDRO Cc1ccnc(NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000070496684 363091185 /nfs/dbraw/zinc/09/11/85/363091185.db2.gz GWFRXUBEYKWMRV-NSHDSACASA-N 1 0 264.329 2.100 20 5 CEBDRO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000123109139 187071678 /nfs/dbraw/zinc/07/16/78/187071678.db2.gz GPGRXQNDHBZJOW-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000122914904 187059104 /nfs/dbraw/zinc/05/91/04/187059104.db2.gz GQFUMXAAPMSMEH-BXUZGUMPSA-N 1 0 291.351 2.150 20 5 CEBDRO Cc1c(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000070575104 363097171 /nfs/dbraw/zinc/09/71/71/363097171.db2.gz VXXOCJNBPOXBOV-WDEREUQCSA-N 1 0 277.324 2.359 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cccn1 ZINC000072631050 363152872 /nfs/dbraw/zinc/15/28/72/363152872.db2.gz NITPWOPRTNFNKZ-GFCCVEGCSA-N 1 0 274.324 2.484 20 5 CEBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292103398 198163927 /nfs/dbraw/zinc/16/39/27/198163927.db2.gz IEJZXPNMIDEFSC-HNNXBMFYSA-N 1 0 275.352 2.122 20 5 CEBDRO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000569337279 299196257 /nfs/dbraw/zinc/19/62/57/299196257.db2.gz OYSYPEVOQPPQGP-PHIMTYICSA-N 1 0 279.315 2.373 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423596 188017205 /nfs/dbraw/zinc/01/72/05/188017205.db2.gz CQFPOUWEWFEZNJ-VXGBXAGGSA-N 1 0 291.351 2.175 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423771 188017737 /nfs/dbraw/zinc/01/77/37/188017737.db2.gz CQFPOUWEWFEZNJ-NEPJUHHUSA-N 1 0 291.351 2.175 20 5 CEBDRO C[C@H](CCC[NH3+])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000295182336 199391925 /nfs/dbraw/zinc/39/19/25/199391925.db2.gz HSGBPVIAITYRPD-MRVPVSSYSA-N 1 0 285.731 2.105 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(CO)CCC2)c1 ZINC000133154364 366199423 /nfs/dbraw/zinc/19/94/23/366199423.db2.gz ACDKVQLIUIRDMX-UHFFFAOYSA-N 1 0 270.716 2.253 20 5 CEBDRO CC[NH+]1CCC(N(C)c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074739168 363380254 /nfs/dbraw/zinc/38/02/54/363380254.db2.gz WCOBIILTESOFSH-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@H]([NH2+]CCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000271777423 191321242 /nfs/dbraw/zinc/32/12/42/191321242.db2.gz KENFWZTWNQARCE-AWEZNQCLSA-N 1 0 291.351 2.258 20 5 CEBDRO COC(=O)CCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000271791490 191331078 /nfs/dbraw/zinc/33/10/78/191331078.db2.gz GYOXFZBPWPQOKG-UHFFFAOYSA-N 1 0 280.324 2.418 20 5 CEBDRO COCCOC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000075953725 363500365 /nfs/dbraw/zinc/50/03/65/363500365.db2.gz NQVOVTGIUVXWPE-ZDUSSCGKSA-N 1 0 294.351 2.080 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000134418377 366319702 /nfs/dbraw/zinc/31/97/02/366319702.db2.gz LPJUOUFPMGCNSU-CYBMUJFWSA-N 1 0 266.341 2.434 20 5 CEBDRO C[C@@H](O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338390983 366335038 /nfs/dbraw/zinc/33/50/38/366335038.db2.gz YYMKESNUBSRTSA-GFCCVEGCSA-N 1 0 266.341 2.230 20 5 CEBDRO CCOc1cccc(NCC[N@H+](C)CC)c1[N+](=O)[O-] ZINC000134917213 366373227 /nfs/dbraw/zinc/37/32/27/366373227.db2.gz GSAAGXTWLYKTKB-UHFFFAOYSA-N 1 0 267.329 2.357 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000296068831 199772268 /nfs/dbraw/zinc/77/22/68/199772268.db2.gz WMBGHRUXPYJYLH-MJBXVCDLSA-N 1 0 276.336 2.029 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCOC3)c2c1 ZINC000570756565 299276050 /nfs/dbraw/zinc/27/60/50/299276050.db2.gz BTKYADSBJRMVLM-LBPRGKRZSA-N 1 0 289.335 2.387 20 5 CEBDRO Cc1sc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294829314 199201939 /nfs/dbraw/zinc/20/19/39/199201939.db2.gz LKAHONLKWAOGMA-SNVBAGLBSA-N 1 0 297.380 2.227 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135244851 366416223 /nfs/dbraw/zinc/41/62/23/366416223.db2.gz KZZYNLVEFOVJGZ-GFCCVEGCSA-N 1 0 279.340 2.151 20 5 CEBDRO Cc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000135244084 366416260 /nfs/dbraw/zinc/41/62/60/366416260.db2.gz WBMLZYQGHFWCGQ-CQSZACIVSA-N 1 0 293.367 2.349 20 5 CEBDRO COCC[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000135167827 366403883 /nfs/dbraw/zinc/40/38/83/366403883.db2.gz DEQYSPVWYXXAOY-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO COc1cc(C[NH2+]CC[C@@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000338710551 366482506 /nfs/dbraw/zinc/48/25/06/366482506.db2.gz VTTPDOZJPMSGND-SNVBAGLBSA-N 1 0 298.339 2.127 20 5 CEBDRO CC(C)(O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000274754032 192757430 /nfs/dbraw/zinc/75/74/30/192757430.db2.gz NKLIPSFZWIEOJY-FNORWQNLSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341690596 216068937 /nfs/dbraw/zinc/06/89/37/216068937.db2.gz CWJYEBLCIZTEBQ-JTQLQIEISA-N 1 0 297.330 2.194 20 5 CEBDRO C[NH+](C)CCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149250024 366587829 /nfs/dbraw/zinc/58/78/29/366587829.db2.gz SXHGOGCGMBNWPV-UHFFFAOYSA-N 1 0 299.758 2.320 20 5 CEBDRO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1CCCC[C@H]1C ZINC000339003815 366610109 /nfs/dbraw/zinc/61/01/09/366610109.db2.gz QEYYACHUZIGROW-GHMZBOCLSA-N 1 0 281.360 2.003 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000298706078 200510465 /nfs/dbraw/zinc/51/04/65/200510465.db2.gz JCEZPFXKLITUCF-SNVBAGLBSA-N 1 0 280.328 2.057 20 5 CEBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178369538 189111458 /nfs/dbraw/zinc/11/14/58/189111458.db2.gz UOOFFKSRDATMRB-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375281 189111525 /nfs/dbraw/zinc/11/15/25/189111525.db2.gz GIRCRGOVCHFTOZ-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO C[C@H](CN(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342223659 216267907 /nfs/dbraw/zinc/26/79/07/216267907.db2.gz IQSYBPDQAGWWON-XYLWRLHESA-N 1 0 263.341 2.148 20 5 CEBDRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427358 189254832 /nfs/dbraw/zinc/25/48/32/189254832.db2.gz NLIWOQSQKJZYPY-MNOVXSKESA-N 1 0 279.340 2.160 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1nccnc1C ZINC000339531025 366702479 /nfs/dbraw/zinc/70/24/79/366702479.db2.gz UHNHQJJWKDMRLL-UHFFFAOYSA-N 1 0 286.335 2.334 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000301461079 201018612 /nfs/dbraw/zinc/01/86/12/201018612.db2.gz UPGVDNXQKIKULS-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183246585 189351975 /nfs/dbraw/zinc/35/19/75/189351975.db2.gz ZOYHUBOAFLXPPS-CYBMUJFWSA-N 1 0 292.335 2.288 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000301741995 201171312 /nfs/dbraw/zinc/17/13/12/201171312.db2.gz LMUMKPYTJGMGFP-NSHDSACASA-N 1 0 284.747 2.395 20 5 CEBDRO CN(CC1CC[NH+](C)CC1)c1sccc1[N+](=O)[O-] ZINC000301991358 201289796 /nfs/dbraw/zinc/28/97/96/201289796.db2.gz NHGOOTPXEZMKPE-UHFFFAOYSA-N 1 0 269.370 2.434 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH+](C)C)c1 ZINC000302015824 201297975 /nfs/dbraw/zinc/29/79/75/201297975.db2.gz LPNUWGKKDZMWGZ-UHFFFAOYSA-N 1 0 251.330 2.291 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000088147699 363879414 /nfs/dbraw/zinc/87/94/14/363879414.db2.gz XXJSTQSYZJPBAS-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000088503424 363901960 /nfs/dbraw/zinc/90/19/60/363901960.db2.gz FMBCYXJTQMMQMI-NSHDSACASA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000089454716 363969764 /nfs/dbraw/zinc/96/97/64/363969764.db2.gz JUJUYILOUHUWLF-MPKXVKKWSA-N 1 0 291.351 2.147 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588552 364084165 /nfs/dbraw/zinc/08/41/65/364084165.db2.gz ZXWMHWWTATYPKK-CYBMUJFWSA-N 1 0 291.351 2.133 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000092642886 364093145 /nfs/dbraw/zinc/09/31/45/364093145.db2.gz DHNXNMACANSYEY-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342748454 216508841 /nfs/dbraw/zinc/50/88/41/216508841.db2.gz JAXJPXJWJKOOBR-WDMOLILDSA-N 1 0 291.351 2.160 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000356979710 370802760 /nfs/dbraw/zinc/80/27/60/370802760.db2.gz FDVJLHYENYDHHK-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275498290 193058886 /nfs/dbraw/zinc/05/88/86/193058886.db2.gz QNSKPSJIXFTOER-AWEZNQCLSA-N 1 0 294.351 2.066 20 5 CEBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537203 193070483 /nfs/dbraw/zinc/07/04/83/193070483.db2.gz YCIAWRRZSNSAAN-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO COCCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159363719 366906336 /nfs/dbraw/zinc/90/63/36/366906336.db2.gz AGAXQAZIWYLDFN-ZDUSSCGKSA-N 1 0 295.383 2.132 20 5 CEBDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340680081 366982808 /nfs/dbraw/zinc/98/28/08/366982808.db2.gz HVBMOHWLRSZCHK-OCCSQVGLSA-N 1 0 294.351 2.209 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000162757703 367186838 /nfs/dbraw/zinc/18/68/38/367186838.db2.gz MLXOOPVBUCHVSO-YPMHNXCESA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000162960882 367207160 /nfs/dbraw/zinc/20/71/60/367207160.db2.gz UDYUIQQWFIMOHQ-IJLUTSLNSA-N 1 0 266.345 2.206 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253297 367227774 /nfs/dbraw/zinc/22/77/74/367227774.db2.gz WDYJKWVEWNLFFO-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166820213 367329635 /nfs/dbraw/zinc/32/96/35/367329635.db2.gz BJACMQTUVUVEAB-CYBMUJFWSA-N 1 0 295.383 2.214 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341470086 367348660 /nfs/dbraw/zinc/34/86/60/367348660.db2.gz LIQYISMLTZAHOF-JTQLQIEISA-N 1 0 283.759 2.384 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170735611 367403257 /nfs/dbraw/zinc/40/32/57/367403257.db2.gz IVAYOPDFXMGPTG-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CCC[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000171232495 367500172 /nfs/dbraw/zinc/50/01/72/367500172.db2.gz WLNIXCYWWKOTAN-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[C@@H]1CSCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000172590973 367781936 /nfs/dbraw/zinc/78/19/36/367781936.db2.gz PNTUMNRZFJXPOO-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO CSCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172715120 367806512 /nfs/dbraw/zinc/80/65/12/367806512.db2.gz PUQDGELOBNNXJE-UHFFFAOYSA-N 1 0 295.408 2.470 20 5 CEBDRO Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000343535539 367869302 /nfs/dbraw/zinc/86/93/02/367869302.db2.gz QEXGGNVYHBRMNM-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO COc1ccc(OCC[N@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000173546457 367921564 /nfs/dbraw/zinc/92/15/64/367921564.db2.gz HJRFONVUEJWSLX-UHFFFAOYSA-N 1 0 280.324 2.324 20 5 CEBDRO CCC[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173585163 367924422 /nfs/dbraw/zinc/92/44/22/367924422.db2.gz RRKAHTQPNACJQD-UHFFFAOYSA-N 1 0 268.313 2.324 20 5 CEBDRO C[C@H](CCNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCCC1 ZINC000343788764 368004668 /nfs/dbraw/zinc/00/46/68/368004668.db2.gz BFQVGDBAEWKKCA-LLVKDONJSA-N 1 0 281.360 2.005 20 5 CEBDRO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000181474576 368459994 /nfs/dbraw/zinc/45/99/94/368459994.db2.gz DGCMFUOEQRZTQH-ZDUSSCGKSA-N 1 0 293.323 2.086 20 5 CEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182211657 368535196 /nfs/dbraw/zinc/53/51/96/368535196.db2.gz CGSCPJOMXFHIBL-VIFPVBQESA-N 1 0 299.758 2.062 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346118751 368547757 /nfs/dbraw/zinc/54/77/57/368547757.db2.gz HEHFMAGCYSBHDX-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000346159929 368567543 /nfs/dbraw/zinc/56/75/43/368567543.db2.gz BJELMAVVPWGCEN-SECBINFHSA-N 1 0 291.307 2.021 20 5 CEBDRO CCC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185854323 368873799 /nfs/dbraw/zinc/87/37/99/368873799.db2.gz CEIGZSUYWCNBRH-GFCCVEGCSA-N 1 0 266.345 2.446 20 5 CEBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000348699078 369123103 /nfs/dbraw/zinc/12/31/03/369123103.db2.gz AGSUQBXHRRKCAZ-WAFBPQNNSA-N 1 0 264.325 2.311 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000330658910 203088624 /nfs/dbraw/zinc/08/86/24/203088624.db2.gz PIPRZNZFXLSSLT-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC(F)(F)F ZINC000188618601 369383747 /nfs/dbraw/zinc/38/37/47/369383747.db2.gz WVOFIPBNSZDGCK-SNVBAGLBSA-N 1 0 292.257 2.340 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246422989 370958876 /nfs/dbraw/zinc/95/88/76/370958876.db2.gz IIBHILGGTNGULJ-BXUZGUMPSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246548642 370975340 /nfs/dbraw/zinc/97/53/40/370975340.db2.gz AWWKIFBNYAVXSZ-KGLIPLIRSA-N 1 0 294.376 2.301 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000350129364 369512293 /nfs/dbraw/zinc/51/22/93/369512293.db2.gz ZGXQMFREEOXINW-UHFFFAOYSA-N 1 0 290.298 2.209 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ncc(C)cc1[N+](=O)[O-] ZINC000276270996 193265795 /nfs/dbraw/zinc/26/57/95/193265795.db2.gz VWNCKWJQPXKKFN-UHFFFAOYSA-N 1 0 280.372 2.466 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000351495041 369636971 /nfs/dbraw/zinc/63/69/71/369636971.db2.gz PNGKDQCMDGWOFU-ZIAGYGMSSA-N 1 0 282.315 2.375 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352716827 369852628 /nfs/dbraw/zinc/85/26/28/369852628.db2.gz HMQNRKPERRKYPT-CQSZACIVSA-N 1 0 293.342 2.402 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)C(C)C ZINC000352871472 369924421 /nfs/dbraw/zinc/92/44/21/369924421.db2.gz OKYAJILCSPNKOZ-AWEZNQCLSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000353083644 370012403 /nfs/dbraw/zinc/01/24/03/370012403.db2.gz GIRRXVIOVUOTPQ-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000194633805 370059996 /nfs/dbraw/zinc/05/99/96/370059996.db2.gz VEQBOHZSIQRCKT-CYBMUJFWSA-N 1 0 266.341 2.400 20 5 CEBDRO CCN(C)C(=O)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353189746 370063140 /nfs/dbraw/zinc/06/31/40/370063140.db2.gz GOIGPHABQZZHAT-UPZNUWHASA-N 1 0 291.351 2.064 20 5 CEBDRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000353205738 370071758 /nfs/dbraw/zinc/07/17/58/370071758.db2.gz PYFHICSIORCJLO-SNVBAGLBSA-N 1 0 268.313 2.070 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC(F)(F)F)c(F)c1 ZINC000353231014 370086444 /nfs/dbraw/zinc/08/64/44/370086444.db2.gz IXNNIYAAURMWAA-UHFFFAOYSA-N 1 0 282.193 2.360 20 5 CEBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354004732 370174169 /nfs/dbraw/zinc/17/41/69/370174169.db2.gz ZMOFLONLYFVHJH-LLVKDONJSA-N 1 0 266.345 2.159 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)n1 ZINC000222924015 370258553 /nfs/dbraw/zinc/25/85/53/370258553.db2.gz NZPIZRLMIKRNTP-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000224808746 370282913 /nfs/dbraw/zinc/28/29/13/370282913.db2.gz FLMCBUBNKUAGCS-RYUDHWBXSA-N 1 0 281.381 2.373 20 5 CEBDRO Cc1c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927646 370352954 /nfs/dbraw/zinc/35/29/54/370352954.db2.gz WFWVRLNJSVWLIS-GXTWGEPZSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1c(CN2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074347 370357592 /nfs/dbraw/zinc/35/75/92/370357592.db2.gz MMTUDTPZFVVSHV-GXFFZTMASA-N 1 0 263.341 2.072 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651660 370378514 /nfs/dbraw/zinc/37/85/14/370378514.db2.gz RCBLEODNHLARSB-VIFPVBQESA-N 1 0 284.747 2.397 20 5 CEBDRO COC[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715812 370382114 /nfs/dbraw/zinc/38/21/14/370382114.db2.gz RWPYRSGTSVKYQQ-YPMHNXCESA-N 1 0 282.340 2.215 20 5 CEBDRO COC1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000230674649 370463489 /nfs/dbraw/zinc/46/34/89/370463489.db2.gz PMUUTLQSOASCMV-FJJSSXBZSA-N 1 0 250.298 2.423 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235440728 370566357 /nfs/dbraw/zinc/56/63/57/370566357.db2.gz BLGXUQAPWMMNJI-PSASIEDQSA-N 1 0 297.742 2.119 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236839058 370638773 /nfs/dbraw/zinc/63/87/73/370638773.db2.gz BLJUMQIKVAZTFZ-CYBMUJFWSA-N 1 0 293.367 2.017 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000246964689 371039352 /nfs/dbraw/zinc/03/93/52/371039352.db2.gz JACPHNSDSWHUDY-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C(C)C ZINC000573090071 299423137 /nfs/dbraw/zinc/42/31/37/299423137.db2.gz ZBJKZPIERYKIMH-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cs1 ZINC000249453036 371323718 /nfs/dbraw/zinc/32/37/18/371323718.db2.gz CQVDRMCBSPPOBN-AXFHLTTASA-N 1 0 268.338 2.313 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252884448 371486678 /nfs/dbraw/zinc/48/66/78/371486678.db2.gz WNGPWWGDDZTOTD-DUFXMDAXSA-N 1 0 296.754 2.451 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000360966492 371569293 /nfs/dbraw/zinc/56/92/93/371569293.db2.gz PXXLAVDIGYGWSI-UHFFFAOYSA-N 1 0 283.376 2.033 20 5 CEBDRO C[C@H](C[C@H](C)O)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361044263 371617571 /nfs/dbraw/zinc/61/75/71/371617571.db2.gz RPCHFUGXGWXLBM-OXTPZFROSA-N 1 0 264.325 2.357 20 5 CEBDRO CCc1cnccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000361135119 371671734 /nfs/dbraw/zinc/67/17/34/371671734.db2.gz KLOGLBXWTLPARX-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1c(CN[C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261674652 371699805 /nfs/dbraw/zinc/69/98/05/371699805.db2.gz GGLRHCJZIMXUQC-AWEZNQCLSA-N 1 0 277.368 2.381 20 5 CEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262765887 371906106 /nfs/dbraw/zinc/90/61/06/371906106.db2.gz JEPYLBOKCINVPG-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000361650942 372001960 /nfs/dbraw/zinc/00/19/60/372001960.db2.gz CFKVSXQMGWTBQP-LJXYTEIVSA-N 1 0 276.336 2.168 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268456994 372108002 /nfs/dbraw/zinc/10/80/02/372108002.db2.gz GXEOQCQQRWKUPG-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CC(C)(C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000344222160 217105386 /nfs/dbraw/zinc/10/53/86/217105386.db2.gz SHBWWWCOAQSSJG-GFCCVEGCSA-N 1 0 293.367 2.125 20 5 CEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237565381 189882004 /nfs/dbraw/zinc/88/20/04/189882004.db2.gz WUTZOMRHYJQDRP-SNVBAGLBSA-N 1 0 293.367 2.217 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362364547 372333026 /nfs/dbraw/zinc/33/30/26/372333026.db2.gz IOISQKKAIHBRLU-JQWIXIFHSA-N 1 0 277.324 2.039 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362904910 372565773 /nfs/dbraw/zinc/56/57/73/372565773.db2.gz DLMNQOKONCLZCR-AWEZNQCLSA-N 1 0 275.352 2.265 20 5 CEBDRO Cc1c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270104930 372668096 /nfs/dbraw/zinc/66/80/96/372668096.db2.gz LRJVKJBYNQAVKX-ZFWWWQNUSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1sc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000364639382 372779077 /nfs/dbraw/zinc/77/90/77/372779077.db2.gz BODSCLNDAZSKPK-SNVBAGLBSA-N 1 0 297.380 2.179 20 5 CEBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344583264 217239620 /nfs/dbraw/zinc/23/96/20/217239620.db2.gz SWFYBNYFGNUVGC-AAEUAGOBSA-N 1 0 266.341 2.482 20 5 CEBDRO Cc1cccc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000365057288 372802237 /nfs/dbraw/zinc/80/22/37/372802237.db2.gz VLSUJGQLCRWGMF-JSGCOSHPSA-N 1 0 275.352 2.434 20 5 CEBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000270651149 372884278 /nfs/dbraw/zinc/88/42/78/372884278.db2.gz LVIUXZFMGDGKRW-UONOGXRCSA-N 1 0 295.408 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000366244891 373014195 /nfs/dbraw/zinc/01/41/95/373014195.db2.gz GPXBILKUTVIRCG-CYBMUJFWSA-N 1 0 276.336 2.372 20 5 CEBDRO COCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271045582 373088635 /nfs/dbraw/zinc/08/86/35/373088635.db2.gz QNRBDDCEPLXACS-FNORWQNLSA-N 1 0 250.298 2.186 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CO ZINC000344818125 217321521 /nfs/dbraw/zinc/32/15/21/217321521.db2.gz FDIARWOKQMPAFA-DSDFTUOUSA-N 1 0 264.325 2.216 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)C2)o1 ZINC000271124557 373132950 /nfs/dbraw/zinc/13/29/50/373132950.db2.gz ZMFVITPWYOHNOC-NSHDSACASA-N 1 0 288.303 2.421 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272515624 373528159 /nfs/dbraw/zinc/52/81/59/373528159.db2.gz GTRMKUMYXLAOKE-MDZLAQPJSA-N 1 0 264.325 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000370990107 373768429 /nfs/dbraw/zinc/76/84/29/373768429.db2.gz BPCGBOLJMYHJDA-LSDHHAIUSA-N 1 0 290.363 2.496 20 5 CEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274122343 373819161 /nfs/dbraw/zinc/81/91/61/373819161.db2.gz XEHFCCCRSHEDBS-MNOVXSKESA-N 1 0 280.324 2.272 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H](C)C1 ZINC000371893151 374000844 /nfs/dbraw/zinc/00/08/44/374000844.db2.gz DORJRJYLVBLYKN-LLVKDONJSA-N 1 0 264.325 2.372 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274626657 373990680 /nfs/dbraw/zinc/99/06/80/373990680.db2.gz AXRWQPNTYLHFFO-JTQLQIEISA-N 1 0 296.346 2.094 20 5 CEBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000275168277 374175265 /nfs/dbraw/zinc/17/52/65/374175265.db2.gz ALSVEIKDTPPEBR-RRFJBIMHSA-N 1 0 294.351 2.175 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278208015 374750133 /nfs/dbraw/zinc/75/01/33/374750133.db2.gz SNHLBNLYRVHBDQ-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCCCCO)cc1[N+](=O)[O-] ZINC000279527339 374907294 /nfs/dbraw/zinc/90/72/94/374907294.db2.gz ZBXRXMLDSPIPOK-UHFFFAOYSA-N 1 0 266.341 2.498 20 5 CEBDRO COc1cc(NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280149624 375107814 /nfs/dbraw/zinc/10/78/14/375107814.db2.gz FTFNJRUPOAMYHB-UHFFFAOYSA-N 1 0 277.324 2.277 20 5 CEBDRO C[C@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000280176357 375119299 /nfs/dbraw/zinc/11/92/99/375119299.db2.gz SSZHZUSTUZZMCS-HNNXBMFYSA-N 1 0 294.351 2.211 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000383307914 375200539 /nfs/dbraw/zinc/20/05/39/375200539.db2.gz OZXAIULUTBSZGQ-AOOOYVTPSA-N 1 0 296.758 2.079 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282520508 375507235 /nfs/dbraw/zinc/50/72/35/375507235.db2.gz PKCJDHCCQCYNAH-PEGIJTEDSA-N 1 0 282.315 2.468 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283208725 375673600 /nfs/dbraw/zinc/67/36/00/375673600.db2.gz RUSCIZOXDKSWMS-GFCCVEGCSA-N 1 0 268.288 2.249 20 5 CEBDRO C[NH+](C)C1(CNc2ccc(N)cc2[N+](=O)[O-])CCCC1 ZINC000283606412 375733268 /nfs/dbraw/zinc/73/32/68/375733268.db2.gz RFSCNEFRNLFJFQ-UHFFFAOYSA-N 1 0 278.356 2.463 20 5 CEBDRO CN(CCn1cccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286215017 375874577 /nfs/dbraw/zinc/87/45/77/375874577.db2.gz BEUHPDJMUQYKIK-UHFFFAOYSA-N 1 0 296.277 2.202 20 5 CEBDRO [NH3+]C1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCC1 ZINC000414631384 375890514 /nfs/dbraw/zinc/89/05/14/375890514.db2.gz WPJKPZVDVHEKGY-UHFFFAOYSA-N 1 0 278.243 2.122 20 5 CEBDRO Cc1ccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414650728 375900944 /nfs/dbraw/zinc/90/09/44/375900944.db2.gz BIHCFQOVZVZENR-CQSZACIVSA-N 1 0 292.339 2.152 20 5 CEBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000414790586 375973311 /nfs/dbraw/zinc/97/33/11/375973311.db2.gz POGWUVDCXZTXHV-QPJJXVBHSA-N 1 0 275.352 2.421 20 5 CEBDRO Cc1c(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414696437 375924186 /nfs/dbraw/zinc/92/41/86/375924186.db2.gz HNVCWBZVCUWKQK-KOLCDFICSA-N 1 0 292.339 2.104 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289600835 376415005 /nfs/dbraw/zinc/41/50/05/376415005.db2.gz NQNCCJAWWOKLIE-HONMWMINSA-N 1 0 291.351 2.160 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000263793828 190078956 /nfs/dbraw/zinc/07/89/56/190078956.db2.gz RGMWLOONWBUIEH-RYUDHWBXSA-N 1 0 264.325 2.360 20 5 CEBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289706745 376456543 /nfs/dbraw/zinc/45/65/43/376456543.db2.gz FCXGDUWXKBQOAJ-MNOVXSKESA-N 1 0 252.314 2.416 20 5 CEBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942892 376521565 /nfs/dbraw/zinc/52/15/65/376521565.db2.gz OWYLUCVOMKVDRA-OLZOCXBDSA-N 1 0 289.379 2.341 20 5 CEBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000557466929 376557851 /nfs/dbraw/zinc/55/78/51/376557851.db2.gz FIYAGCSWULKDRO-NEPJUHHUSA-N 1 0 293.367 2.012 20 5 CEBDRO Cc1csc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000289843108 376525082 /nfs/dbraw/zinc/52/50/82/376525082.db2.gz PKKNHFMEMIXKQZ-UHFFFAOYSA-N 1 0 292.364 2.325 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000311394209 376667172 /nfs/dbraw/zinc/66/71/72/376667172.db2.gz BLTBEBQSLVWKFC-CHWSQXEVSA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290067295 376628040 /nfs/dbraw/zinc/62/80/40/376628040.db2.gz FOVAKEVBQBQYDK-JSGCOSHPSA-N 1 0 278.352 2.496 20 5 CEBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311401081 376666715 /nfs/dbraw/zinc/66/67/15/376666715.db2.gz FXQOSPOKHJUKEJ-ZDUSSCGKSA-N 1 0 270.304 2.375 20 5 CEBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000318337198 376811550 /nfs/dbraw/zinc/81/15/50/376811550.db2.gz UFGUUNMILRRADG-UHFFFAOYSA-N 1 0 297.314 2.493 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264688532 190129374 /nfs/dbraw/zinc/12/93/74/190129374.db2.gz MBFASDPPHOUKJJ-SNVBAGLBSA-N 1 0 297.380 2.261 20 5 CEBDRO CC[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330504292 377161575 /nfs/dbraw/zinc/16/15/75/377161575.db2.gz DQMUKBPOIYCYIA-LBPRGKRZSA-N 1 0 291.351 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423245886 377166324 /nfs/dbraw/zinc/16/63/24/377166324.db2.gz YXGLDKCDBUFBFR-SWLSCSKDSA-N 1 0 275.352 2.314 20 5 CEBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000292857547 377315414 /nfs/dbraw/zinc/31/54/14/377315414.db2.gz CGDNBSQIWPMJCN-AWEZNQCLSA-N 1 0 293.367 2.154 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292875136 377327662 /nfs/dbraw/zinc/32/76/62/377327662.db2.gz WWOZRHXUZKUHQD-MRXNPFEDSA-N 1 0 289.379 2.431 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000564224944 377363358 /nfs/dbraw/zinc/36/33/58/377363358.db2.gz AJDOZAVREQXERX-LLVKDONJSA-N 1 0 279.340 2.357 20 5 CEBDRO Cc1ccnc(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265230189 190168098 /nfs/dbraw/zinc/16/80/98/190168098.db2.gz QPEBADHBPUFQKC-LBPRGKRZSA-N 1 0 278.356 2.076 20 5 CEBDRO CCC[C@]1(COC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000194922735 249342254 /nfs/dbraw/zinc/34/22/54/249342254.db2.gz KACASEXDXPSYNI-CQSZACIVSA-N 1 0 296.371 2.072 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000567589091 377846289 /nfs/dbraw/zinc/84/62/89/377846289.db2.gz WKECIAIVBOZPIP-OICCZTGUSA-N 1 0 287.363 2.293 20 5 CEBDRO C[N@H+](CC[C@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000437578332 377852462 /nfs/dbraw/zinc/85/24/62/377852462.db2.gz OAEQCJXNWXBSBR-LBPRGKRZSA-N 1 0 264.325 2.453 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000295040228 378035879 /nfs/dbraw/zinc/03/58/79/378035879.db2.gz WZUZYTPMAUQGPV-NSHDSACASA-N 1 0 290.367 2.219 20 5 CEBDRO CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447512061 378112368 /nfs/dbraw/zinc/11/23/68/378112368.db2.gz OHMGPOIKOPBCFT-GHMZBOCLSA-N 1 0 252.318 2.275 20 5 CEBDRO C[C@@]1(F)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295325306 378106594 /nfs/dbraw/zinc/10/65/94/378106594.db2.gz GWYCXIWEQZNVFW-UONOGXRCSA-N 1 0 282.315 2.452 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295956843 378369459 /nfs/dbraw/zinc/36/94/59/378369459.db2.gz JDCXJWSDCPKTLG-YOGCLGLASA-N 1 0 276.340 2.335 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000296311021 378487477 /nfs/dbraw/zinc/48/74/77/378487477.db2.gz GPFQFPGRUMMALS-JBLDHEPKSA-N 1 0 280.324 2.259 20 5 CEBDRO Cc1nc(NCC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000296622445 378595355 /nfs/dbraw/zinc/59/53/55/378595355.db2.gz UXOZURYDEPYGFI-UHFFFAOYSA-N 1 0 281.360 2.224 20 5 CEBDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450950952 378658709 /nfs/dbraw/zinc/65/87/09/378658709.db2.gz FCRXSIRNSRWNEW-GFCCVEGCSA-N 1 0 278.356 2.217 20 5 CEBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000266187719 190238559 /nfs/dbraw/zinc/23/85/59/190238559.db2.gz FGOYWUGQOCWJNJ-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000346801731 218018674 /nfs/dbraw/zinc/01/86/74/218018674.db2.gz CEWXKBWMJIMDKY-VIFPVBQESA-N 1 0 288.307 2.250 20 5 CEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000266222695 190241413 /nfs/dbraw/zinc/24/14/13/190241413.db2.gz ZPCPJKWORQBQLH-NSHDSACASA-N 1 0 295.339 2.134 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765018 378824192 /nfs/dbraw/zinc/82/41/92/378824192.db2.gz SAXGAWUYWAKZTF-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257401 378844719 /nfs/dbraw/zinc/84/47/19/378844719.db2.gz NDMDKJULXSZNPW-BXUZGUMPSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000346994110 218083475 /nfs/dbraw/zinc/08/34/75/218083475.db2.gz BSQGGGDTYJKLIX-TXEJJXNPSA-N 1 0 263.341 2.085 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278552522 194039594 /nfs/dbraw/zinc/03/95/94/194039594.db2.gz AYWMKGXINQMVOS-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571836 194050246 /nfs/dbraw/zinc/05/02/46/194050246.db2.gz CBNKHILEJCJQLM-OCCSQVGLSA-N 1 0 296.367 2.341 20 5 CEBDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571845 194050963 /nfs/dbraw/zinc/05/09/63/194050963.db2.gz CBNKHILEJCJQLM-TZMCWYRMSA-N 1 0 296.367 2.341 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH3+])C1 ZINC000347122616 218129153 /nfs/dbraw/zinc/12/91/53/218129153.db2.gz WISDEAGECRGNIJ-LBPRGKRZSA-N 1 0 293.367 2.164 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C1 ZINC000299590759 379056994 /nfs/dbraw/zinc/05/69/94/379056994.db2.gz DUZDAKZYFPHRKM-QWRGUYRKSA-N 1 0 277.324 2.264 20 5 CEBDRO Cc1nccn1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000299658138 379095901 /nfs/dbraw/zinc/09/59/01/379095901.db2.gz VADDELJERSGGHW-UHFFFAOYSA-N 1 0 280.353 2.341 20 5 CEBDRO Cc1c(CNc2cc[nH+]cc2C(N)=O)cccc1[N+](=O)[O-] ZINC000302728386 379438733 /nfs/dbraw/zinc/43/87/33/379438733.db2.gz QJNOCZWXOKMQRT-UHFFFAOYSA-N 1 0 286.291 2.009 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000304258445 379537640 /nfs/dbraw/zinc/53/76/40/379537640.db2.gz SKEJPQYWGJYRNV-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO CC[N@@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000266883176 190287135 /nfs/dbraw/zinc/28/71/35/190287135.db2.gz BEMPCFMGLGDCIK-UHFFFAOYSA-N 1 0 294.380 2.417 20 5 CEBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000347692655 218323734 /nfs/dbraw/zinc/32/37/34/218323734.db2.gz PHDPOOWLIMPGTR-CYBMUJFWSA-N 1 0 266.341 2.480 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457078149 379653848 /nfs/dbraw/zinc/65/38/48/379653848.db2.gz QOAZVMDKEMOVJM-UHFFFAOYSA-N 1 0 297.380 2.261 20 5 CEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735314 380124832 /nfs/dbraw/zinc/12/48/32/380124832.db2.gz ORKVXUPHKQGXNC-SGMGOOAPSA-N 1 0 290.367 2.156 20 5 CEBDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268197353 190385158 /nfs/dbraw/zinc/38/51/58/190385158.db2.gz WWCLTXMRASIINV-RYUDHWBXSA-N 1 0 278.356 2.075 20 5 CEBDRO COCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489391852 380183101 /nfs/dbraw/zinc/18/31/01/380183101.db2.gz ATIKMRBNXLODIP-OCCSQVGLSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)/C=C\C[NH+](C)C)cc1[N+](=O)[O-] ZINC000492072360 380439838 /nfs/dbraw/zinc/43/98/38/380439838.db2.gz IITXXJSIZJBNSB-FOQNGQEVSA-N 1 0 291.351 2.198 20 5 CEBDRO C[C@H]1C[C@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424785 380514223 /nfs/dbraw/zinc/51/42/23/380514223.db2.gz TXKSWMLEJKVCPG-QWRGUYRKSA-N 1 0 250.298 2.456 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000549261886 380597272 /nfs/dbraw/zinc/59/72/72/380597272.db2.gz WCFZLEHMWGVUIY-LLVKDONJSA-N 1 0 267.304 2.264 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000279228920 194342722 /nfs/dbraw/zinc/34/27/22/194342722.db2.gz DODOEDQTKGBZCS-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1nc(NCC23CCC[NH+]2CCC3)ccc1[N+](=O)[O-] ZINC000281012141 195068302 /nfs/dbraw/zinc/06/83/02/195068302.db2.gz QZFKYJUPDUAKHJ-UHFFFAOYSA-N 1 0 276.340 2.339 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCOCC3)cc1 ZINC000365673339 285111848 /nfs/dbraw/zinc/11/18/48/285111848.db2.gz VYYVHBQOMVTSIJ-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000302820775 285118955 /nfs/dbraw/zinc/11/89/55/285118955.db2.gz PWYXFBHJWLGMQZ-LBPRGKRZSA-N 1 0 277.299 2.184 20 5 CEBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000272869898 285118983 /nfs/dbraw/zinc/11/89/83/285118983.db2.gz ZHBGCDXFBRETHU-LLVKDONJSA-N 1 0 252.314 2.452 20 5 CEBDRO CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353765017 220316477 /nfs/dbraw/zinc/31/64/77/220316477.db2.gz ZPYFULZZWKLSIL-JTQLQIEISA-N 1 0 296.323 2.035 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000289262605 197278222 /nfs/dbraw/zinc/27/82/22/197278222.db2.gz FSXLXOAMSBEAPH-TZMCWYRMSA-N 1 0 264.325 2.248 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+](C)C ZINC000288438370 197078196 /nfs/dbraw/zinc/07/81/96/197078196.db2.gz NBDMZGSUYFEJBP-VIFPVBQESA-N 1 0 265.313 2.159 20 5 CEBDRO CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281332072 195200913 /nfs/dbraw/zinc/20/09/13/195200913.db2.gz JKRASHSVFKZZMP-ZDUSSCGKSA-N 1 0 294.351 2.475 20 5 CEBDRO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281441279 195241034 /nfs/dbraw/zinc/24/10/34/195241034.db2.gz PZGHIWJOHVKUCH-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc2[nH]c(NCCC[NH+]3CCCC3)nc2c1 ZINC000094771908 184858316 /nfs/dbraw/zinc/85/83/16/184858316.db2.gz ZJKQUQPGUOPWQC-UHFFFAOYSA-N 1 0 289.339 2.369 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[NH+]1CCCC1 ZINC000281776853 195377027 /nfs/dbraw/zinc/37/70/27/195377027.db2.gz GZJKKOOUWDKMRN-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000357752371 533344202 /nfs/dbraw/zinc/34/42/02/533344202.db2.gz KDAWAMTWVSLMST-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237143932 131007341 /nfs/dbraw/zinc/00/73/41/131007341.db2.gz FJEBORXLNQBESX-OLZOCXBDSA-N 1 0 291.351 2.014 20 5 CEBDRO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000261834750 131172333 /nfs/dbraw/zinc/17/23/33/131172333.db2.gz UZCBXUSBBNTHDZ-LLVKDONJSA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000262617449 131242209 /nfs/dbraw/zinc/24/22/09/131242209.db2.gz HACFPLMYOCXSKA-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCC2)c(F)c1 ZINC000355486994 394460768 /nfs/dbraw/zinc/46/07/68/394460768.db2.gz VILCPLCHYRVIGV-LBPRGKRZSA-N 1 0 282.315 2.375 20 5 CEBDRO C[NH+](C)CCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413023867 394465505 /nfs/dbraw/zinc/46/55/05/394465505.db2.gz KZJNNRBCZGJGKM-UHFFFAOYSA-N 1 0 292.261 2.372 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000413158070 394495224 /nfs/dbraw/zinc/49/52/24/394495224.db2.gz VHDZZOUMOARSDI-QWRGUYRKSA-N 1 0 296.346 2.438 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000305228762 394503542 /nfs/dbraw/zinc/50/35/42/394503542.db2.gz QFDAKJGXFWBRSI-QWRGUYRKSA-N 1 0 282.315 2.469 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421400015 394524327 /nfs/dbraw/zinc/52/43/27/394524327.db2.gz JIRMMMHQYBDGGR-AWEZNQCLSA-N 1 0 262.309 2.268 20 5 CEBDRO CC(C)C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071952891 394591543 /nfs/dbraw/zinc/59/15/43/394591543.db2.gz ANNAPUFFMBAWPU-UHFFFAOYSA-N 1 0 291.395 2.411 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000051554579 394556473 /nfs/dbraw/zinc/55/64/73/394556473.db2.gz UOQIUQUOZOBNIP-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO C[C@H](O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000356949487 394659461 /nfs/dbraw/zinc/65/94/61/394659461.db2.gz SEWZVZGVDFHKLP-QMDMKJMKSA-N 1 0 276.336 2.311 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000356749925 394601477 /nfs/dbraw/zinc/60/14/77/394601477.db2.gz ZBNDGARQRREGOB-NSHDSACASA-N 1 0 279.340 2.053 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000421868879 394622334 /nfs/dbraw/zinc/62/23/34/394622334.db2.gz CUVVBGGTXVMAJH-TZMCWYRMSA-N 1 0 264.325 2.333 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000421888054 394628372 /nfs/dbraw/zinc/62/83/72/394628372.db2.gz WKCLZYTZQNEZNY-KGLIPLIRSA-N 1 0 278.352 2.276 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000267200700 394673769 /nfs/dbraw/zinc/67/37/69/394673769.db2.gz JJFPHSAFKFGMFQ-UHFFFAOYSA-N 1 0 279.340 2.135 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268025644 394688508 /nfs/dbraw/zinc/68/85/08/394688508.db2.gz IYMDUZXMERPZAU-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000268963739 394704812 /nfs/dbraw/zinc/70/48/12/394704812.db2.gz WQOHHDSAEWTKRV-NSHDSACASA-N 1 0 272.308 2.278 20 5 CEBDRO CSCC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303303 394717265 /nfs/dbraw/zinc/71/72/65/394717265.db2.gz QMCCVIUGKUHZOS-ZYHUDNBSSA-N 1 0 284.381 2.359 20 5 CEBDRO CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303301 394717396 /nfs/dbraw/zinc/71/73/96/394717396.db2.gz QMCCVIUGKUHZOS-JQWIXIFHSA-N 1 0 284.381 2.359 20 5 CEBDRO CC[NH2+]CCN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414848627 394769426 /nfs/dbraw/zinc/76/94/26/394769426.db2.gz QFSWQONNKBREFB-GFCCVEGCSA-N 1 0 265.357 2.115 20 5 CEBDRO [NH3+][C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000414883860 394788320 /nfs/dbraw/zinc/78/83/20/394788320.db2.gz DSJQCQGMDWLJMT-LBPRGKRZSA-N 1 0 269.732 2.075 20 5 CEBDRO COCC[NH2+]CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414886520 394789627 /nfs/dbraw/zinc/78/96/27/394789627.db2.gz PQLYWZFLNHHADE-UHFFFAOYSA-N 1 0 295.383 2.044 20 5 CEBDRO Cc1c(OCC[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000122566862 394814989 /nfs/dbraw/zinc/81/49/89/394814989.db2.gz BHHBYVMYNGSYHK-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000415068890 394873465 /nfs/dbraw/zinc/87/34/65/394873465.db2.gz RQCUJVAQAWVRDS-AWEZNQCLSA-N 1 0 263.341 2.202 20 5 CEBDRO Cc1ccc(CNCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415071999 394874698 /nfs/dbraw/zinc/87/46/98/394874698.db2.gz UZZLTKMVZVSQBI-UHFFFAOYSA-N 1 0 263.341 2.135 20 5 CEBDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278832408 394837003 /nfs/dbraw/zinc/83/70/03/394837003.db2.gz OYWKWGORFDWLEX-TUKIKUTGSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368716 394903370 /nfs/dbraw/zinc/90/33/70/394903370.db2.gz FJODAWBATLIJSC-MDZLAQPJSA-N 1 0 263.341 2.386 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415293184 394919201 /nfs/dbraw/zinc/91/92/01/394919201.db2.gz IMUSJWQEZLILBW-LLVKDONJSA-N 1 0 292.339 2.085 20 5 CEBDRO CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423423718 394919945 /nfs/dbraw/zinc/91/99/45/394919945.db2.gz DXHATCXSFKIZLB-BARDWOONSA-N 1 0 275.352 2.243 20 5 CEBDRO C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423481609 394930298 /nfs/dbraw/zinc/93/02/98/394930298.db2.gz WZYPPHBKRMZWAG-IMSIIYSGSA-N 1 0 263.341 2.298 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415425532 394931063 /nfs/dbraw/zinc/93/10/63/394931063.db2.gz CKMPEEWVEHDJSK-JOYOIKCWSA-N 1 0 292.339 2.023 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000415508243 394939294 /nfs/dbraw/zinc/93/92/94/394939294.db2.gz UZAMJANRUPUWKW-QWRGUYRKSA-N 1 0 292.339 2.234 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415577067 394944792 /nfs/dbraw/zinc/94/47/92/394944792.db2.gz GSLVDMXAPUDJCS-LLVKDONJSA-N 1 0 294.355 2.316 20 5 CEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000423527799 394946111 /nfs/dbraw/zinc/94/61/11/394946111.db2.gz MUJBOMGBEORWBN-JTQLQIEISA-N 1 0 279.340 2.185 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153717949 395015614 /nfs/dbraw/zinc/01/56/14/395015614.db2.gz MASFMJHNOBLINP-HNNXBMFYSA-N 1 0 292.335 2.086 20 5 CEBDRO Cc1cnc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286325660 395019150 /nfs/dbraw/zinc/01/91/50/395019150.db2.gz HOAFFEAPOHTPAU-CHWSQXEVSA-N 1 0 290.367 2.361 20 5 CEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000163262078 395082199 /nfs/dbraw/zinc/08/21/99/395082199.db2.gz PWYBLAJGWFPEAA-NWDGAFQWSA-N 1 0 266.345 2.350 20 5 CEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000423958996 395035417 /nfs/dbraw/zinc/03/54/17/395035417.db2.gz WVIHXGQJOIERAK-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000343462193 395039085 /nfs/dbraw/zinc/03/90/85/395039085.db2.gz SYJLBVOLKSXKGB-MNOVXSKESA-N 1 0 264.329 2.193 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158391017 395044694 /nfs/dbraw/zinc/04/46/94/395044694.db2.gz TWPXFLLOOPDRBN-VXGBXAGGSA-N 1 0 293.371 2.158 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158391157 395045060 /nfs/dbraw/zinc/04/50/60/395045060.db2.gz TWPXFLLOOPDRBN-NWDGAFQWSA-N 1 0 293.371 2.158 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000439015318 395245196 /nfs/dbraw/zinc/24/51/96/395245196.db2.gz PGSZXBWTOKDBNO-ZDUSSCGKSA-N 1 0 296.392 2.285 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208459 395188794 /nfs/dbraw/zinc/18/87/94/395188794.db2.gz SYILTQINWPVPIB-GFCCVEGCSA-N 1 0 296.367 2.205 20 5 CEBDRO Cc1nc(NC[C@H](C(C)C)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296616921 395324160 /nfs/dbraw/zinc/32/41/60/395324160.db2.gz UMQXPXVNXZWIOV-GFCCVEGCSA-N 1 0 293.371 2.226 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCO[C@@H](C[NH3+])C1 ZINC000420394979 395369039 /nfs/dbraw/zinc/36/90/39/395369039.db2.gz SNYBWXXODTWIJX-OCCSQVGLSA-N 1 0 293.367 2.014 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)[NH3+] ZINC000442659964 395389964 /nfs/dbraw/zinc/38/99/64/395389964.db2.gz CHFKNDPBEROIOI-LLVKDONJSA-N 1 0 251.330 2.152 20 5 CEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000420360002 395346534 /nfs/dbraw/zinc/34/65/34/395346534.db2.gz GOUBAAZPZFQRCW-VDDIYKPWSA-N 1 0 269.370 2.132 20 5 CEBDRO CC1=CC[N@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000355349678 395417769 /nfs/dbraw/zinc/41/77/69/395417769.db2.gz BBHVDYHWPYJQSD-UHFFFAOYSA-N 1 0 295.364 2.038 20 5 CEBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931314 395437779 /nfs/dbraw/zinc/43/77/79/395437779.db2.gz DBTVGZNOUZEYTA-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000566230393 395506885 /nfs/dbraw/zinc/50/68/85/395506885.db2.gz MGHCZJGTFOVPGD-OAHLLOKOSA-N 1 0 293.342 2.309 20 5 CEBDRO CC1(C)CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000446063731 395479988 /nfs/dbraw/zinc/47/99/88/395479988.db2.gz ZQRLTPNKWPZQGL-UHFFFAOYSA-N 1 0 266.345 2.303 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000569035993 395572508 /nfs/dbraw/zinc/57/25/08/395572508.db2.gz WLCVQLNGWIWPAB-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000569035992 395572703 /nfs/dbraw/zinc/57/27/03/395572703.db2.gz WLCVQLNGWIWPAB-GFCCVEGCSA-N 1 0 293.367 2.381 20 5 CEBDRO COc1cc(CN2CCOCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000360095644 155217725 /nfs/dbraw/zinc/21/77/25/155217725.db2.gz BKGPNTVRJKNBKI-UHFFFAOYSA-N 1 0 292.335 2.216 20 5 CEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000228105447 153360703 /nfs/dbraw/zinc/36/07/03/153360703.db2.gz XXNLGYGBWJJMKD-DTWKUNHWSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000230670629 153399039 /nfs/dbraw/zinc/39/90/39/153399039.db2.gz LQEWPFVHRHCYAR-DGCLKSJQSA-N 1 0 264.325 2.236 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261595018 153784609 /nfs/dbraw/zinc/78/46/09/153784609.db2.gz CQGQHXPYBPBAQR-RISCZKNCSA-N 1 0 293.367 2.163 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)c(F)c1 ZINC000302762095 154194698 /nfs/dbraw/zinc/19/46/98/154194698.db2.gz KLPVPBKNGKABDJ-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000367123360 156138829 /nfs/dbraw/zinc/13/88/29/156138829.db2.gz QGIYYXVOBCLXOF-TZMCWYRMSA-N 1 0 291.351 2.021 20 5 CEBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000367163071 156143045 /nfs/dbraw/zinc/14/30/45/156143045.db2.gz AFMRSFPTMVTMCG-NEPJUHHUSA-N 1 0 276.340 2.216 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000367622350 156216488 /nfs/dbraw/zinc/21/64/88/156216488.db2.gz GTHYNRDFNNWGBF-ZRJCITRHSA-N 1 0 276.336 2.446 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374996838 157033784 /nfs/dbraw/zinc/03/37/84/157033784.db2.gz IBZCFHSDEDVSAR-LBPRGKRZSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782865 286829586 /nfs/dbraw/zinc/82/95/86/286829586.db2.gz YMMHDRFOCVMFRP-RYUDHWBXSA-N 1 0 291.351 2.256 20 5 CEBDRO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173982830 165091061 /nfs/dbraw/zinc/09/10/61/165091061.db2.gz WHEGFGCEXXLKIQ-NSHDSACASA-N 1 0 277.324 2.408 20 5 CEBDRO CCS[C@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174858398 165118071 /nfs/dbraw/zinc/11/80/71/165118071.db2.gz MGSNZRVPGAGKPT-ZDUSSCGKSA-N 1 0 298.412 2.399 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176262475 165159606 /nfs/dbraw/zinc/15/96/06/165159606.db2.gz YYEYFBPTROSOMS-NEPJUHHUSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176262519 165160498 /nfs/dbraw/zinc/16/04/98/165160498.db2.gz YYEYFBPTROSOMS-NWDGAFQWSA-N 1 0 266.345 2.302 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285120554 196201655 /nfs/dbraw/zinc/20/16/55/196201655.db2.gz KZYYIXKZJJKRIC-MISXGVKJSA-N 1 0 293.367 2.379 20 5 CEBDRO CCC[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471729 196294897 /nfs/dbraw/zinc/29/48/97/196294897.db2.gz HOENNODEJBGWLC-CABCVRRESA-N 1 0 294.351 2.177 20 5 CEBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000285754026 196388117 /nfs/dbraw/zinc/38/81/17/196388117.db2.gz VTCKYQMVRPEAEF-RKDXNWHRSA-N 1 0 286.278 2.388 20 5 CEBDRO CC[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037487136 173230296 /nfs/dbraw/zinc/23/02/96/173230296.db2.gz BDENZRXUGLKJEE-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO Cc1c(C[NH2+]C[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000038045598 174054069 /nfs/dbraw/zinc/05/40/69/174054069.db2.gz FBFVJEXSJSNMPC-LBPRGKRZSA-N 1 0 264.325 2.419 20 5 CEBDRO CCC[C@H]([NH2+]C[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060722 174071778 /nfs/dbraw/zinc/07/17/78/174071778.db2.gz YBYAZTCATBCVLI-GJZGRUSLSA-N 1 0 294.351 2.441 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCCCC2)cc1 ZINC000040676057 174373688 /nfs/dbraw/zinc/37/36/88/174373688.db2.gz HWJHCXACNQLCHU-UHFFFAOYSA-N 1 0 278.352 2.422 20 5 CEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690808 174376996 /nfs/dbraw/zinc/37/69/96/174376996.db2.gz VSIGQXINPGUTJX-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604229552 414821768 /nfs/dbraw/zinc/82/17/68/414821768.db2.gz SQZATSQYBYMNGF-NSHDSACASA-N 1 0 292.339 2.119 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044686295 175232116 /nfs/dbraw/zinc/23/21/16/175232116.db2.gz KDPSWYZFTSDVSG-ZDUSSCGKSA-N 1 0 275.352 2.230 20 5 CEBDRO CCOC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000044723758 175237411 /nfs/dbraw/zinc/23/74/11/175237411.db2.gz SZKIISRWMIDPED-NSHDSACASA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070534460 175975248 /nfs/dbraw/zinc/97/52/48/175975248.db2.gz SWMHYYJKPSWCFU-BXUZGUMPSA-N 1 0 263.341 2.154 20 5 CEBDRO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277822 176107811 /nfs/dbraw/zinc/10/78/11/176107811.db2.gz VQIPJCUNTGVWRX-TVQRCGJNSA-N 1 0 250.298 2.016 20 5 CEBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000077453817 177270262 /nfs/dbraw/zinc/27/02/62/177270262.db2.gz ICPKUCIKEVLMBA-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078614298 177360392 /nfs/dbraw/zinc/36/03/92/177360392.db2.gz XPYUIPCONRCHLL-JTQLQIEISA-N 1 0 299.396 2.362 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](C)CO ZINC000449165828 260267253 /nfs/dbraw/zinc/26/72/53/260267253.db2.gz XPEUETDROAKXDF-TUAOUCFPSA-N 1 0 266.341 2.132 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@]3(CCSC3)C2)n1 ZINC000451983063 263018507 /nfs/dbraw/zinc/01/85/07/263018507.db2.gz UNHJKKZCLMYFAY-CYBMUJFWSA-N 1 0 296.396 2.010 20 5 CEBDRO COCCOCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518999414 265291453 /nfs/dbraw/zinc/29/14/53/265291453.db2.gz AGWPVTJURQSFJR-AWEZNQCLSA-N 1 0 294.351 2.225 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514613985 266017854 /nfs/dbraw/zinc/01/78/54/266017854.db2.gz FAJUXSNXXLNQRN-MFKMUULPSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533165 270229716 /nfs/dbraw/zinc/22/97/16/270229716.db2.gz UOPBUPOVLSFZRM-CQSZACIVSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397354189 270353662 /nfs/dbraw/zinc/35/36/62/270353662.db2.gz DLVJLFRUUSXMLK-UTUOFQBUSA-N 1 0 291.351 2.040 20 5 CEBDRO COc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000398697963 270361638 /nfs/dbraw/zinc/36/16/38/270361638.db2.gz RXEJVRZBTSLHRN-WCQYABFASA-N 1 0 294.351 2.054 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423691720 270931779 /nfs/dbraw/zinc/93/17/79/270931779.db2.gz PVAMMZWVAKNLQO-NSHDSACASA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC12CC2 ZINC000424332965 271047505 /nfs/dbraw/zinc/04/75/05/271047505.db2.gz XFBKQJBQPJOQIE-ZWNOBZJWSA-N 1 0 289.335 2.454 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430224644 271365796 /nfs/dbraw/zinc/36/57/96/271365796.db2.gz WDCXHQBHUZTELN-ZDUSSCGKSA-N 1 0 280.324 2.118 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000430241662 271366482 /nfs/dbraw/zinc/36/64/82/271366482.db2.gz GWGXWFWNMRRALQ-LSDHHAIUSA-N 1 0 294.351 2.244 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000430241659 271366529 /nfs/dbraw/zinc/36/65/29/271366529.db2.gz GWGXWFWNMRRALQ-CABCVRRESA-N 1 0 294.351 2.244 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279094614 273589053 /nfs/dbraw/zinc/58/90/53/273589053.db2.gz NSFZGGHKQRSKGH-ZDUSSCGKSA-N 1 0 264.325 2.289 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408431755 274333450 /nfs/dbraw/zinc/33/34/50/274333450.db2.gz BNFXALZYTFOGLO-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540765 274335526 /nfs/dbraw/zinc/33/55/26/274335526.db2.gz CCWJPZUYQSDRHE-BXKDBHETSA-N 1 0 298.774 2.420 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261738835 275033450 /nfs/dbraw/zinc/03/34/50/275033450.db2.gz LVRUAAWYKZJXFR-GWCFXTLKSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352368869 275034423 /nfs/dbraw/zinc/03/44/23/275034423.db2.gz WIHPETYIKBTPDI-LBPRGKRZSA-N 1 0 298.346 2.214 20 5 CEBDRO CC(C)C[C@@H]([NH3+])CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000414681844 275587484 /nfs/dbraw/zinc/58/74/84/275587484.db2.gz WUKLLWOCJPRFDF-CYBMUJFWSA-N 1 0 265.357 2.400 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000195508544 276118520 /nfs/dbraw/zinc/11/85/20/276118520.db2.gz DMYJWIRIFPGCCE-MRVPVSSYSA-N 1 0 258.347 2.194 20 5 CEBDRO CC[NH2+]CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149458745 276264817 /nfs/dbraw/zinc/26/48/17/276264817.db2.gz CRKGDYNJDMJNTR-UHFFFAOYSA-N 1 0 298.774 2.469 20 5 CEBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000375595143 277033411 /nfs/dbraw/zinc/03/34/11/277033411.db2.gz CYMKDYCUDBFCAM-LLVKDONJSA-N 1 0 296.396 2.219 20 5 CEBDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414480912 277238583 /nfs/dbraw/zinc/23/85/83/277238583.db2.gz KQEHELFDMVRSHS-NSHDSACASA-N 1 0 252.314 2.357 20 5 CEBDRO COc1ccccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000271736292 277470847 /nfs/dbraw/zinc/47/08/47/277470847.db2.gz VFOXGHDZVFTODA-LLVKDONJSA-N 1 0 290.323 2.151 20 5 CEBDRO COC[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719694 277564673 /nfs/dbraw/zinc/56/46/73/277564673.db2.gz MCIMRLUEBFQNFB-HIFRSBDPSA-N 1 0 294.351 2.223 20 5 CEBDRO CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000275417584 278167983 /nfs/dbraw/zinc/16/79/83/278167983.db2.gz HEEVZSWMEAEYHM-STQMWFEESA-N 1 0 295.408 2.385 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321070 280060475 /nfs/dbraw/zinc/06/04/75/280060475.db2.gz ZLDUMZZZAXAEEV-VXGBXAGGSA-N 1 0 264.325 2.188 20 5 CEBDRO Cn1c(-c2nc(C3([NH3+])CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424349751 281152108 /nfs/dbraw/zinc/15/21/08/281152108.db2.gz WKOUCZXQKJQMRG-UHFFFAOYSA-N 1 0 291.311 2.101 20 5 CEBDRO O=C(C[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000426463898 281194217 /nfs/dbraw/zinc/19/42/17/281194217.db2.gz VIZZXLHCRBTADT-DGCLKSJQSA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430137765 281265959 /nfs/dbraw/zinc/26/59/59/281265959.db2.gz WYYZTERURLYKAU-QMDMKJMKSA-N 1 0 276.336 2.453 20 5 CEBDRO CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447527356 281832194 /nfs/dbraw/zinc/83/21/94/281832194.db2.gz GKHLFMWDHOXEFL-RWMBFGLXSA-N 1 0 296.371 2.026 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447577944 281839654 /nfs/dbraw/zinc/83/96/54/281839654.db2.gz CERHXLQLSPDGPX-XQQFMLRXSA-N 1 0 296.371 2.026 20 5 CEBDRO COC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447581595 281840708 /nfs/dbraw/zinc/84/07/08/281840708.db2.gz VLBRTSJODOKCPO-NWDGAFQWSA-N 1 0 296.371 2.290 20 5 CEBDRO COCCC[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000156911750 289204919 /nfs/dbraw/zinc/20/49/19/289204919.db2.gz CQUYULGHOJHBDX-UHFFFAOYSA-N 1 0 281.356 2.283 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@H]1CCCC[C@H]1O)C2 ZINC000305656989 289272583 /nfs/dbraw/zinc/27/25/83/289272583.db2.gz PUXJAYLLJSKIIY-LSDHHAIUSA-N 1 0 276.336 2.256 20 5 CEBDRO Cc1cc(N[C@@H]2CO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000402029782 289288919 /nfs/dbraw/zinc/28/89/19/289288919.db2.gz IAUNPVBVYRZJMC-QWRGUYRKSA-N 1 0 287.319 2.463 20 5 CEBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000459609999 290194047 /nfs/dbraw/zinc/19/40/47/290194047.db2.gz KDNLOUQMCIICHM-GWCFXTLKSA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487069912 290330033 /nfs/dbraw/zinc/33/00/33/290330033.db2.gz SZJGFRPTFBQWAK-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+]1CCCC1 ZINC000118888209 295255108 /nfs/dbraw/zinc/25/51/08/295255108.db2.gz JBNGLYNFNKJGNO-UHFFFAOYSA-N 1 0 293.367 2.131 20 5 CEBDRO C[C@]1(CO)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000530464097 298073347 /nfs/dbraw/zinc/07/33/47/298073347.db2.gz WUAZDKOVJOOXSW-NFBGWVBBSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000530464098 298073599 /nfs/dbraw/zinc/07/35/99/298073599.db2.gz WUAZDKOVJOOXSW-QZDDGCDVSA-N 1 0 276.336 2.455 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000538420069 298228001 /nfs/dbraw/zinc/22/80/01/298228001.db2.gz GOANCTPUGCKYBZ-CYBMUJFWSA-N 1 0 290.319 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N(C)C ZINC000540166790 298263485 /nfs/dbraw/zinc/26/34/85/298263485.db2.gz DUOSKEUBUCUWEQ-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000541775113 298284795 /nfs/dbraw/zinc/28/47/95/298284795.db2.gz HYLUNWDUCRGMQO-GFCCVEGCSA-N 1 0 277.368 2.335 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131942672 300413707 /nfs/dbraw/zinc/41/37/07/300413707.db2.gz FDXFGZDTYJHQIF-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160442481 304810747 /nfs/dbraw/zinc/81/07/47/304810747.db2.gz USUGHWKZIANSSK-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000514727773 313054099 /nfs/dbraw/zinc/05/40/99/313054099.db2.gz MBLHNUWNJUKGSZ-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCOCC1 ZINC000530627424 313301168 /nfs/dbraw/zinc/30/11/68/313301168.db2.gz ACEQPDVYMMGAGI-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO CCc1nncn1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000547386645 313523529 /nfs/dbraw/zinc/52/35/29/313523529.db2.gz FTTQZILVFZZACL-LLVKDONJSA-N 1 0 289.339 2.100 20 5 CEBDRO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000566091315 313849606 /nfs/dbraw/zinc/84/96/06/313849606.db2.gz XBYJPDRWLZBURL-SWLSCSKDSA-N 1 0 293.367 2.094 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574149568 314190162 /nfs/dbraw/zinc/19/01/62/314190162.db2.gz JFYZTJKGOLKTRG-JTQLQIEISA-N 1 0 289.339 2.002 20 5 CEBDRO C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000577260229 314357476 /nfs/dbraw/zinc/35/74/76/314357476.db2.gz KQTWJJICLJAOSX-UPJWGTAASA-N 1 0 296.371 2.026 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1(CO)CC1 ZINC000577865528 314422943 /nfs/dbraw/zinc/42/29/43/314422943.db2.gz DTWRYEPCEPXIAG-CYBMUJFWSA-N 1 0 276.336 2.334 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[C@@H]3CC[NH2+]C3)c2)c1 ZINC000578064071 314441703 /nfs/dbraw/zinc/44/17/03/314441703.db2.gz QPQSTAHSJULTAV-LBPRGKRZSA-N 1 0 286.335 2.458 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000382437256 321839524 /nfs/dbraw/zinc/83/95/24/321839524.db2.gz WUYAMPAQOZPDQJ-WPRPVWTQSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(OCCC2CC[NH2+]CC2)n1 ZINC000581186299 322375881 /nfs/dbraw/zinc/37/58/81/322375881.db2.gz PPLLAEBKXQGMNE-UHFFFAOYSA-N 1 0 279.340 2.375 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCF)n1 ZINC000581587726 322408026 /nfs/dbraw/zinc/40/80/26/322408026.db2.gz JZWPDIAWLOXABN-WDEREUQCSA-N 1 0 270.308 2.224 20 5 CEBDRO CCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581938873 322432443 /nfs/dbraw/zinc/43/24/43/322432443.db2.gz YNLZNKKKKIZZJY-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412093959 533807521 /nfs/dbraw/zinc/80/75/21/533807521.db2.gz SAPDEDVMLOIXFX-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000226249530 535546711 /nfs/dbraw/zinc/54/67/11/535546711.db2.gz UAQTWWPOFMHRPO-CYBMUJFWSA-N 1 0 252.314 2.236 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[NH3+] ZINC000415584467 534055091 /nfs/dbraw/zinc/05/50/91/534055091.db2.gz SODUXIHZHPNOHE-UHFFFAOYSA-N 1 0 280.328 2.072 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412046720 534095160 /nfs/dbraw/zinc/09/51/60/534095160.db2.gz RJYBNWXBKKBBFR-COPLHBTASA-N 1 0 264.325 2.359 20 5 CEBDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151454012 519757193 /nfs/dbraw/zinc/75/71/93/519757193.db2.gz JFNNJBZMIKEGOW-DOMZBBRYSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000156715743 519817490 /nfs/dbraw/zinc/81/74/90/519817490.db2.gz HRNNAOCTCITGFT-CYBMUJFWSA-N 1 0 294.355 2.432 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084440 522753311 /nfs/dbraw/zinc/75/33/11/522753311.db2.gz RKZYEABKJKGOBR-JSGCOSHPSA-N 1 0 263.341 2.340 20 5 CEBDRO COc1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063196015 524026938 /nfs/dbraw/zinc/02/69/38/524026938.db2.gz AQWIUBBJGBRLIL-YPMHNXCESA-N 1 0 293.367 2.305 20 5 CEBDRO C[C@H](CC[NH+](C)C)NCc1csc([N+](=O)[O-])c1 ZINC000049554407 524165274 /nfs/dbraw/zinc/16/52/74/524165274.db2.gz YVDRJXHJSLDGSO-SECBINFHSA-N 1 0 257.359 2.086 20 5 CEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000068913548 524507921 /nfs/dbraw/zinc/50/79/21/524507921.db2.gz LFGNUIHIRJHZMP-SECBINFHSA-N 1 0 294.311 2.398 20 5 CEBDRO O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000414669352 534848230 /nfs/dbraw/zinc/84/82/30/534848230.db2.gz ZULCNJPBBOIXCV-LLVKDONJSA-N 1 0 292.339 2.249 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070172024 525575316 /nfs/dbraw/zinc/57/53/16/525575316.db2.gz OSNDMKGJFCVDQA-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCCC1 ZINC000062075857 525577052 /nfs/dbraw/zinc/57/70/52/525577052.db2.gz BYWYKFJOIPWICS-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070172025 525580609 /nfs/dbraw/zinc/58/06/09/525580609.db2.gz OSNDMKGJFCVDQA-RYUDHWBXSA-N 1 0 291.351 2.103 20 5 CEBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183482460 525717953 /nfs/dbraw/zinc/71/79/53/525717953.db2.gz CEAMGMNIOIADMO-CYBMUJFWSA-N 1 0 284.381 2.107 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357056217 534879585 /nfs/dbraw/zinc/87/95/85/534879585.db2.gz SFJAPQHNCPVZBO-ZDUSSCGKSA-N 1 0 295.408 2.478 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000054602607 527144941 /nfs/dbraw/zinc/14/49/41/527144941.db2.gz CGFFBASNTUPQSD-AGUYFDCRSA-N 1 0 275.352 2.439 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC12CCOCC2 ZINC000365662603 527401593 /nfs/dbraw/zinc/40/15/93/527401593.db2.gz JHZWSBCZHXOPBZ-UHFFFAOYSA-N 1 0 262.309 2.350 20 5 CEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411170857 528400986 /nfs/dbraw/zinc/40/09/86/528400986.db2.gz VMTPZMWCXWOXAP-UHFFFAOYSA-N 1 0 277.324 2.408 20 5 CEBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000357577430 528832489 /nfs/dbraw/zinc/83/24/89/528832489.db2.gz CYDLNGDCCYNFHY-VIFPVBQESA-N 1 0 297.384 2.445 20 5 CEBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000412080604 528946326 /nfs/dbraw/zinc/94/63/26/528946326.db2.gz NTOCZZTVDZZVDH-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CC(C)NC(=O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192617131 529132864 /nfs/dbraw/zinc/13/28/64/529132864.db2.gz KVAAQAXSEJITPZ-AWEZNQCLSA-N 1 0 291.351 2.086 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000313087717 535362321 /nfs/dbraw/zinc/36/23/21/535362321.db2.gz QZVRGBBYLDLMMN-LBPRGKRZSA-N 1 0 250.298 2.109 20 5 CEBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271089651 536828661 /nfs/dbraw/zinc/82/86/61/536828661.db2.gz KOLPJXFEUIHZJU-SNVBAGLBSA-N 1 0 297.330 2.273 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000125208617 649871491 /nfs/dbraw/zinc/87/14/91/649871491.db2.gz MVHMDLZDKSRXNY-GFCCVEGCSA-N 1 0 276.340 2.194 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)C2CC2)c1 ZINC000734160966 574703780 /nfs/dbraw/zinc/70/37/80/574703780.db2.gz ISLWENSHYDEYMU-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO C[N@@H+](Cc1ccoc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749686178 575229472 /nfs/dbraw/zinc/22/94/72/575229472.db2.gz FWHDLRRZGHWVQA-AWEZNQCLSA-N 1 0 276.292 2.353 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000804797081 622970651 /nfs/dbraw/zinc/97/06/51/622970651.db2.gz JXENSTYBBOCVIG-LBPRGKRZSA-N 1 0 263.341 2.434 20 5 CEBDRO C[NH+](C)CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000234249749 623400630 /nfs/dbraw/zinc/40/06/30/623400630.db2.gz YXEMOPRNEGICMJ-UHFFFAOYSA-N 1 0 261.684 2.361 20 5 CEBDRO C[NH+](C)CCOCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000234267756 623461841 /nfs/dbraw/zinc/46/18/41/623461841.db2.gz YSNLSMBDTZRWEN-UHFFFAOYSA-N 1 0 287.747 2.238 20 5 CEBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091845392 627288207 /nfs/dbraw/zinc/28/82/07/627288207.db2.gz JWSJFMQVJWGUGX-UHFFFAOYSA-N 1 0 295.314 2.076 20 5 CEBDRO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000311340802 627640535 /nfs/dbraw/zinc/64/05/35/627640535.db2.gz IGCXWTNYYJKLFQ-MRVPVSSYSA-N 1 0 271.267 2.331 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000178324235 627880777 /nfs/dbraw/zinc/88/07/77/627880777.db2.gz XMJKNCCJXGQQSN-UHFFFAOYSA-N 1 0 296.323 2.035 20 5 CEBDRO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429030 634650070 /nfs/dbraw/zinc/65/00/70/634650070.db2.gz JJIDYFXBEBDGDZ-OBJOEFQTSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429026 634650211 /nfs/dbraw/zinc/65/02/11/634650211.db2.gz JJIDYFXBEBDGDZ-DYEKYZERSA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000925694689 628519610 /nfs/dbraw/zinc/51/96/10/628519610.db2.gz RXJDXTUHFDXYEE-UTUOFQBUSA-N 1 0 291.351 2.303 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CNCC[NH+]1CCCC1 ZINC000054126972 628929765 /nfs/dbraw/zinc/92/97/65/628929765.db2.gz WGPJTMDRARLNDV-UHFFFAOYSA-N 1 0 283.759 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261732416 629166230 /nfs/dbraw/zinc/16/62/30/629166230.db2.gz LILSEUWAOAHGTB-CQSZACIVSA-N 1 0 295.770 2.434 20 5 CEBDRO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000794949044 629369850 /nfs/dbraw/zinc/36/98/50/629369850.db2.gz NUXKBZJJWLGQMB-RISCZKNCSA-N 1 0 295.770 2.384 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H]1C ZINC000795102004 629441617 /nfs/dbraw/zinc/44/16/17/629441617.db2.gz OIVIUDMZBCZFGO-SNVBAGLBSA-N 1 0 281.360 2.016 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000894475320 629483189 /nfs/dbraw/zinc/48/31/89/629483189.db2.gz CAPADUQTWWOMJS-SNVBAGLBSA-N 1 0 294.355 2.283 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928427500 629502941 /nfs/dbraw/zinc/50/29/41/629502941.db2.gz MZVWGZJRCWHHEP-NWDGAFQWSA-N 1 0 291.351 2.034 20 5 CEBDRO CCC[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[NH2+]1 ZINC000895057625 629831384 /nfs/dbraw/zinc/83/13/84/629831384.db2.gz GVICKFUFWUEZBS-SECBINFHSA-N 1 0 255.343 2.235 20 5 CEBDRO C=C/C=C/CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895540251 630242368 /nfs/dbraw/zinc/24/23/68/630242368.db2.gz AHAVYNXPZQJODA-ONEGZZNKSA-N 1 0 262.313 2.217 20 5 CEBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](CF)C1)OCCO2 ZINC000895575503 630255783 /nfs/dbraw/zinc/25/57/83/630255783.db2.gz UVHFJKKDYPFOQO-SNVBAGLBSA-N 1 0 296.298 2.157 20 5 CEBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1[N+](=O)[O-] ZINC000895649371 630283886 /nfs/dbraw/zinc/28/38/86/630283886.db2.gz PSBSWKVHGYBVMX-WFASDCNBSA-N 1 0 276.336 2.285 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000895739062 630319751 /nfs/dbraw/zinc/31/97/51/630319751.db2.gz ATSUXOREZZOFQR-SCZZXKLOSA-N 1 0 283.303 2.247 20 5 CEBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000895769698 630337575 /nfs/dbraw/zinc/33/75/75/630337575.db2.gz GNVHRLPCVDWXDB-SECBINFHSA-N 1 0 287.266 2.312 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1C ZINC000895833690 630370959 /nfs/dbraw/zinc/37/09/59/630370959.db2.gz CSHWUGAIVAYULX-LBPRGKRZSA-N 1 0 291.351 2.036 20 5 CEBDRO CN(C)C1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000895963335 630420317 /nfs/dbraw/zinc/42/03/17/630420317.db2.gz MONKPMOVVWSYGP-UHFFFAOYSA-N 1 0 274.280 2.196 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C(C)(C)C)c1C ZINC000896506916 630585761 /nfs/dbraw/zinc/58/57/61/630585761.db2.gz QTGSBUPYCJFYSY-UHFFFAOYSA-N 1 0 293.367 2.330 20 5 CEBDRO CCn1cnc2c1CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC000896660272 630624369 /nfs/dbraw/zinc/62/43/69/630624369.db2.gz MNAMMWBCTKANQJ-UHFFFAOYSA-N 1 0 287.323 2.077 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000801517347 631280991 /nfs/dbraw/zinc/28/09/91/631280991.db2.gz NQVZEXDKQUYLFT-CYBMUJFWSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCCO)C2CC2)cc1F ZINC000801518101 631281800 /nfs/dbraw/zinc/28/18/00/631281800.db2.gz VKILELKDRFEFQT-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@@H+]1C ZINC000801526772 631283527 /nfs/dbraw/zinc/28/35/27/631283527.db2.gz XBVIKJGPUVXMBU-MNOVXSKESA-N 1 0 281.331 2.258 20 5 CEBDRO Cc1cc(N(C)CC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000897419792 631338146 /nfs/dbraw/zinc/33/81/46/631338146.db2.gz SWXQSFGWNOVJKR-UHFFFAOYSA-N 1 0 280.372 2.322 20 5 CEBDRO CC(C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000803494190 631573832 /nfs/dbraw/zinc/57/38/32/631573832.db2.gz YHQWHZSONIJENQ-LLVKDONJSA-N 1 0 286.353 2.286 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897840598 631939463 /nfs/dbraw/zinc/93/94/63/631939463.db2.gz FPYCVXPNEYLJBS-XGTXGMFGSA-N 1 0 276.336 2.215 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(Cl)c1 ZINC000898203240 632084505 /nfs/dbraw/zinc/08/45/05/632084505.db2.gz GYPCKAGGFGUMJA-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO CSC1(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809734982 632134517 /nfs/dbraw/zinc/13/45/17/632134517.db2.gz PENVTIGNMWVHCY-UHFFFAOYSA-N 1 0 281.381 2.256 20 5 CEBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810853159 632290808 /nfs/dbraw/zinc/29/08/08/632290808.db2.gz PSIQPCAFYSGXOH-KGLIPLIRSA-N 1 0 290.319 2.378 20 5 CEBDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000927006840 632414183 /nfs/dbraw/zinc/41/41/83/632414183.db2.gz XFDUANXQDUAENB-NSHDSACASA-N 1 0 292.335 2.399 20 5 CEBDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084908 632451683 /nfs/dbraw/zinc/45/16/83/632451683.db2.gz OGKKJMNGHXUXNY-RISCZKNCSA-N 1 0 280.324 2.051 20 5 CEBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N+](=O)[O-] ZINC000899871721 633064114 /nfs/dbraw/zinc/06/41/14/633064114.db2.gz TVUKXYGBGOPKLY-VIFPVBQESA-N 1 0 287.157 2.246 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817132024 633590596 /nfs/dbraw/zinc/59/05/96/633590596.db2.gz YCRRQYTUKCRIMW-NSHDSACASA-N 1 0 294.311 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000819066015 634058472 /nfs/dbraw/zinc/05/84/72/634058472.db2.gz QYZZTRVLXZZUPT-AWEZNQCLSA-N 1 0 296.392 2.361 20 5 CEBDRO CSCC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819088165 634065425 /nfs/dbraw/zinc/06/54/25/634065425.db2.gz SBTBREIAIJSYQI-GWCFXTLKSA-N 1 0 284.381 2.359 20 5 CEBDRO CCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819137452 634080572 /nfs/dbraw/zinc/08/05/72/634080572.db2.gz AHTWJHCMWNLZPB-CYBMUJFWSA-N 1 0 264.325 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCS2)c1 ZINC000819149167 634083286 /nfs/dbraw/zinc/08/32/86/634083286.db2.gz GHHRRRKOFKJODI-STQMWFEESA-N 1 0 282.365 2.113 20 5 CEBDRO C[N@@H+]1CC[C@H](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000901908820 634359394 /nfs/dbraw/zinc/35/93/94/634359394.db2.gz MUBUMZLBFPTMFR-SNVBAGLBSA-N 1 0 288.307 2.139 20 5 CEBDRO O=C(CC[N@@H+]1CCC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000902996853 634930289 /nfs/dbraw/zinc/93/02/89/634930289.db2.gz XXGWZODLQRNXQK-NSHDSACASA-N 1 0 295.314 2.357 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)c1 ZINC000822654613 634963990 /nfs/dbraw/zinc/96/39/90/634963990.db2.gz NXHDPYXUHPLBMM-RISCZKNCSA-N 1 0 286.291 2.112 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903100379 634969447 /nfs/dbraw/zinc/96/94/47/634969447.db2.gz RHMHKVPJGVKEFK-PWSUYJOCSA-N 1 0 282.340 2.415 20 5 CEBDRO CO[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000903130744 634984433 /nfs/dbraw/zinc/98/44/33/634984433.db2.gz OJPLBXRSCATDDX-KGLIPLIRSA-N 1 0 264.325 2.294 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000903179437 635000463 /nfs/dbraw/zinc/00/04/63/635000463.db2.gz QDGFLACKXPMHOI-BFVZDQMLSA-N 1 0 282.340 2.413 20 5 CEBDRO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000822814712 635002025 /nfs/dbraw/zinc/00/20/25/635002025.db2.gz ULJCXYJZUHIZLV-CYBMUJFWSA-N 1 0 299.415 2.059 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903300624 635047971 /nfs/dbraw/zinc/04/79/71/635047971.db2.gz JUISPSFXDIXIBT-MISXGVKJSA-N 1 0 293.367 2.347 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000903322123 635055750 /nfs/dbraw/zinc/05/57/50/635055750.db2.gz LMHJXMDJDFAURV-YPMHNXCESA-N 1 0 293.367 2.348 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485743 635151881 /nfs/dbraw/zinc/15/18/81/635151881.db2.gz PRUDRBNFKPQCDK-HNNXBMFYSA-N 1 0 289.379 2.402 20 5 CEBDRO C[NH2+]CCN(Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000903572478 635169330 /nfs/dbraw/zinc/16/93/30/635169330.db2.gz RSBCWUOSOGQVLE-UHFFFAOYSA-N 1 0 269.320 2.164 20 5 CEBDRO O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000905029530 635793430 /nfs/dbraw/zinc/79/34/30/635793430.db2.gz XNKLVUJQFWRZPC-CQSZACIVSA-N 1 0 297.786 2.343 20 5 CEBDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000905126052 635835648 /nfs/dbraw/zinc/83/56/48/635835648.db2.gz CQNBPFMZPHIZEY-CABZTGNLSA-N 1 0 272.732 2.282 20 5 CEBDRO CC[C@@H](CSc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905178771 635850795 /nfs/dbraw/zinc/85/07/95/635850795.db2.gz DIHGZEQUSOOAKF-NSHDSACASA-N 1 0 254.355 2.424 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905365404 636246472 /nfs/dbraw/zinc/24/64/72/636246472.db2.gz PJPRXPVEZAVTGK-LLVKDONJSA-N 1 0 293.150 2.283 20 5 CEBDRO C[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000905642694 636378413 /nfs/dbraw/zinc/37/84/13/636378413.db2.gz HWRXJDHZRCJBHT-TVQRCGJNSA-N 1 0 288.294 2.304 20 5 CEBDRO CC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905643934 636379310 /nfs/dbraw/zinc/37/93/10/636379310.db2.gz OPFWVPSEVCFHKS-WDEREUQCSA-N 1 0 252.314 2.059 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000906094035 636595167 /nfs/dbraw/zinc/59/51/67/636595167.db2.gz LHVADHXMTSGWLJ-UWVGGRQHSA-N 1 0 265.313 2.285 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876545036 650316099 /nfs/dbraw/zinc/31/60/99/650316099.db2.gz FVCRTIUEPLNPCY-SMYYYNMVSA-N 1 0 289.335 2.398 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876545035 650316226 /nfs/dbraw/zinc/31/62/26/650316226.db2.gz FVCRTIUEPLNPCY-PZBABLGHSA-N 1 0 289.335 2.398 20 5 CEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837925174 639444914 /nfs/dbraw/zinc/44/49/14/639444914.db2.gz YSAGBVRYAZHAKZ-LBPRGKRZSA-N 1 0 286.372 2.240 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168634105 639574003 /nfs/dbraw/zinc/57/40/03/639574003.db2.gz JGRMQNDQUVBTDS-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO CC(C)C[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227442448 639590389 /nfs/dbraw/zinc/59/03/89/639590389.db2.gz KNIOMPFKGXVRFT-LBPRGKRZSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000228082597 639614280 /nfs/dbraw/zinc/61/42/80/639614280.db2.gz VOYNEQAAHSPRAK-RKDXNWHRSA-N 1 0 272.732 2.497 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[NH2+]2)cc1Cl ZINC000841036059 639627497 /nfs/dbraw/zinc/62/74/97/639627497.db2.gz NSKNZHFIDLBZIM-SNVBAGLBSA-N 1 0 269.732 2.090 20 5 CEBDRO C[C@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841049388 639632384 /nfs/dbraw/zinc/63/23/84/639632384.db2.gz DCHSKVTXFOTWHQ-MRVPVSSYSA-N 1 0 257.721 2.075 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCC[NH2+]CC1 ZINC000841057389 639635358 /nfs/dbraw/zinc/63/53/58/639635358.db2.gz KCULOBMTPOGUGX-GFCCVEGCSA-N 1 0 283.759 2.480 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000841089408 639653630 /nfs/dbraw/zinc/65/36/30/639653630.db2.gz HBXGEYUHHMSADS-LLVKDONJSA-N 1 0 283.759 2.480 20 5 CEBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233305 639713922 /nfs/dbraw/zinc/71/39/22/639713922.db2.gz QJAKLNCSSLDAGG-SSDOTTSWSA-N 1 0 286.719 2.059 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877025738 650536400 /nfs/dbraw/zinc/53/64/00/650536400.db2.gz ULXNADRBDZUMST-ZUYNKMSQSA-N 1 0 264.329 2.273 20 5 CEBDRO C[NH2+]C[C@H](C)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000842578135 640106284 /nfs/dbraw/zinc/10/62/84/640106284.db2.gz URHSXFZRKDOCOU-YVFTVSHDSA-N 1 0 288.307 2.471 20 5 CEBDRO CCCC[C@H](COC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877049069 650547069 /nfs/dbraw/zinc/54/70/69/650547069.db2.gz AMMPNVFRWTVFOS-PNESKVBLSA-N 1 0 296.371 2.290 20 5 CEBDRO O=[N+]([O-])c1ccccc1Cc1noc(C[NH2+]CC2CC2)n1 ZINC000843171323 640322806 /nfs/dbraw/zinc/32/28/06/640322806.db2.gz ZXZKMFIMMIMVQT-UHFFFAOYSA-N 1 0 288.307 2.068 20 5 CEBDRO C[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])CCc2ccccc21 ZINC000844742188 640822958 /nfs/dbraw/zinc/82/29/58/640822958.db2.gz NDSLRRDUUYWXPM-GFCCVEGCSA-N 1 0 286.335 2.411 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877185854 650615195 /nfs/dbraw/zinc/61/51/95/650615195.db2.gz WAUHPXNHZSKFTD-STQMWFEESA-N 1 0 278.352 2.414 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC34CCCC4)C2)c1 ZINC000877476289 650739401 /nfs/dbraw/zinc/73/94/01/650739401.db2.gz AIXPEDCVGBHHBW-GCZXYKMCSA-N 1 0 276.340 2.417 20 5 CEBDRO Cc1c(C[NH+]2CC([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000877488329 650746268 /nfs/dbraw/zinc/74/62/68/650746268.db2.gz FBDRQVXIORUZDD-ZDUSSCGKSA-N 1 0 276.336 2.372 20 5 CEBDRO COc1cc(C[NH2+][C@H]2C=CCC2)c([N+](=O)[O-])cc1O ZINC000850358565 642681069 /nfs/dbraw/zinc/68/10/69/642681069.db2.gz SBHZVNANEUMKKL-JTQLQIEISA-N 1 0 264.281 2.117 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCn2ccnn2)c1 ZINC000126569762 650775501 /nfs/dbraw/zinc/77/55/01/650775501.db2.gz YNLBFBZMDSMJSZ-UHFFFAOYSA-N 1 0 295.730 2.020 20 5 CEBDRO CC[C@@H](C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)OC ZINC000877559371 650787943 /nfs/dbraw/zinc/78/79/43/650787943.db2.gz WAARZZGPSDMOFS-NPZBDFSRSA-N 1 0 296.371 2.146 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000922557325 643127817 /nfs/dbraw/zinc/12/78/17/643127817.db2.gz OCEPQKFPVAWBGB-BXUZGUMPSA-N 1 0 293.367 2.176 20 5 CEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CSC1 ZINC000877634747 650825683 /nfs/dbraw/zinc/82/56/83/650825683.db2.gz RQKICWVGBUTLLW-SECBINFHSA-N 1 0 295.364 2.017 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1F ZINC000852501491 643446410 /nfs/dbraw/zinc/44/64/10/643446410.db2.gz NLJYJXNMGXCADK-OAHLLOKOSA-N 1 0 294.326 2.471 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852584350 643482984 /nfs/dbraw/zinc/48/29/84/643482984.db2.gz LKUWPWLAZWINRP-QWHCGFSZSA-N 1 0 280.299 2.127 20 5 CEBDRO [NH3+][C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000853016566 643620256 /nfs/dbraw/zinc/62/02/56/643620256.db2.gz IRZYFVWJOUMCOA-VXNVDRBHSA-N 1 0 291.685 2.263 20 5 CEBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000923441211 643717559 /nfs/dbraw/zinc/71/75/59/643717559.db2.gz IQUNIMQMSCKBRN-AVGNSLFASA-N 1 0 293.367 2.044 20 5 CEBDRO COC(=O)C1CC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000877721578 650870102 /nfs/dbraw/zinc/87/01/02/650870102.db2.gz SAEYNSUOXXYUMR-UHFFFAOYSA-N 1 0 298.726 2.289 20 5 CEBDRO CCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492608 643787725 /nfs/dbraw/zinc/78/77/25/643787725.db2.gz WAWJDLUTWCFSIM-UHFFFAOYSA-N 1 0 275.312 2.153 20 5 CEBDRO CCC(N)=[NH+]OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853656712 643849935 /nfs/dbraw/zinc/84/99/35/643849935.db2.gz YUENTTMVWCSNCR-UHFFFAOYSA-N 1 0 259.212 2.281 20 5 CEBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000853825334 643911485 /nfs/dbraw/zinc/91/14/85/643911485.db2.gz KENMPCJZZKPMSR-UHFFFAOYSA-N 1 0 269.732 2.246 20 5 CEBDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000877917579 650947267 /nfs/dbraw/zinc/94/72/67/650947267.db2.gz YIPXOROAOFUWJR-BJHJDKERSA-N 1 0 264.325 2.452 20 5 CEBDRO COC1([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000839659448 644765069 /nfs/dbraw/zinc/76/50/69/644765069.db2.gz DUXLRODHNIGLOL-FZMZJTMJSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1nc(NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000760470672 645161188 /nfs/dbraw/zinc/16/11/88/645161188.db2.gz QTSGOYQZYHMTBM-SNVBAGLBSA-N 1 0 264.329 2.194 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761091492 645237319 /nfs/dbraw/zinc/23/73/19/645237319.db2.gz KIIYBKIHMVRHBM-SMDDNHRTSA-N 1 0 289.335 2.326 20 5 CEBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858823712 645263652 /nfs/dbraw/zinc/26/36/52/645263652.db2.gz YKNRTNPGARDRHQ-VHSXEESVSA-N 1 0 294.311 2.080 20 5 CEBDRO CCN(CC[NH3+])C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859615400 645538245 /nfs/dbraw/zinc/53/82/45/645538245.db2.gz JOUDCLVKYNUXBM-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)C1 ZINC000765770675 645807653 /nfs/dbraw/zinc/80/76/53/645807653.db2.gz PAEVXQADUTZUKO-GXTWGEPZSA-N 1 0 277.368 2.210 20 5 CEBDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943856 645824379 /nfs/dbraw/zinc/82/43/79/645824379.db2.gz NEXOKFXITKSDDD-WLRWDXFRSA-N 1 0 284.381 2.322 20 5 CEBDRO CC(C)[C@H](O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303811 651060122 /nfs/dbraw/zinc/06/01/22/651060122.db2.gz ZQLNTPIOIVALTH-OAHLLOKOSA-N 1 0 278.352 2.360 20 5 CEBDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302930 651060174 /nfs/dbraw/zinc/06/01/74/651060174.db2.gz BDCACFHUYVPRAT-NWDGAFQWSA-N 1 0 276.336 2.378 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000863483641 646739658 /nfs/dbraw/zinc/73/96/58/646739658.db2.gz PAOFEIWVJAJXKA-QWHCGFSZSA-N 1 0 283.759 2.478 20 5 CEBDRO CC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000863670671 646785576 /nfs/dbraw/zinc/78/55/76/646785576.db2.gz QMMFQDOMBBEVNO-ZCFIWIBFSA-N 1 0 268.298 2.377 20 5 CEBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000864618350 647065626 /nfs/dbraw/zinc/06/56/26/647065626.db2.gz AQXMEDFKZMDMQP-JTQLQIEISA-N 1 0 292.339 2.104 20 5 CEBDRO C[N@H+](Cc1cn(CC(C)(C)[N+](=O)[O-])nn1)C1CCCCC1 ZINC000864641827 647074543 /nfs/dbraw/zinc/07/45/43/647074543.db2.gz CTUJEQLTSCCAFK-UHFFFAOYSA-N 1 0 295.387 2.098 20 5 CEBDRO CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593797 647076574 /nfs/dbraw/zinc/07/65/74/647076574.db2.gz ZABJFGHFZMDBMG-SMDDNHRTSA-N 1 0 264.325 2.360 20 5 CEBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000776593279 647077109 /nfs/dbraw/zinc/07/71/09/647077109.db2.gz FQFHVBQSUWAIIE-OLZOCXBDSA-N 1 0 282.365 2.066 20 5 CEBDRO C[C@@H]1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000777445448 647137610 /nfs/dbraw/zinc/13/76/10/647137610.db2.gz MGONFYJZWRXZTH-UEKVPHQBSA-N 1 0 294.351 2.174 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865442489 647295218 /nfs/dbraw/zinc/29/52/18/647295218.db2.gz YXEUXWXCVFPTNZ-SNVBAGLBSA-N 1 0 299.346 2.368 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000866113683 647616031 /nfs/dbraw/zinc/61/60/31/647616031.db2.gz CIQCTWCIVKNYGU-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866204415 647667384 /nfs/dbraw/zinc/66/73/84/647667384.db2.gz CNXFWTZHAJCDAS-KOLCDFICSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1C ZINC000866242661 647690434 /nfs/dbraw/zinc/69/04/34/647690434.db2.gz QJVLPKJOFYJZIL-RISCZKNCSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCOC1 ZINC000866261765 647701467 /nfs/dbraw/zinc/70/14/67/647701467.db2.gz ZKFDAJFHKIKQOI-ZWNOBZJWSA-N 1 0 282.315 2.434 20 5 CEBDRO C[C@@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269467 647708364 /nfs/dbraw/zinc/70/83/64/647708364.db2.gz VDLHEOHPVQSSGC-UWVGGRQHSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)C1CC1 ZINC000866299359 647722254 /nfs/dbraw/zinc/72/22/54/647722254.db2.gz JECYGHYGJLIBFR-HZMBPMFUSA-N 1 0 296.342 2.416 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cncn2)cc1Cl ZINC000783620964 647739281 /nfs/dbraw/zinc/73/92/81/647739281.db2.gz QGUZAARHZNTJAK-UHFFFAOYSA-N 1 0 295.730 2.020 20 5 CEBDRO CO[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345046 647747415 /nfs/dbraw/zinc/74/74/15/647747415.db2.gz FRPPKCYHGZFQQL-NXEZZACHSA-N 1 0 270.304 2.289 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CCO)CC1 ZINC000866344808 647747915 /nfs/dbraw/zinc/74/79/15/647747915.db2.gz ZJUJBDIFENMPLR-NSHDSACASA-N 1 0 296.342 2.417 20 5 CEBDRO Cc1ccc(CN[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000866660404 647859337 /nfs/dbraw/zinc/85/93/37/647859337.db2.gz FDYLOTZTEMZVIH-AWEZNQCLSA-N 1 0 263.341 2.120 20 5 CEBDRO CO[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785573709 647937166 /nfs/dbraw/zinc/93/71/66/647937166.db2.gz SYWFCCMGJXYHHE-LBPRGKRZSA-N 1 0 293.367 2.188 20 5 CEBDRO CCN(CC1CC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867946641 647998321 /nfs/dbraw/zinc/99/83/21/647998321.db2.gz JOYABNVYNPEBAV-OAHLLOKOSA-N 1 0 291.351 2.027 20 5 CEBDRO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508470 648196537 /nfs/dbraw/zinc/19/65/37/648196537.db2.gz UZENLDJAMBYSAH-ZANVPECISA-N 1 0 291.307 2.154 20 5 CEBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788690317 648215390 /nfs/dbraw/zinc/21/53/90/648215390.db2.gz WYRXPOKMFWYHHY-MNOVXSKESA-N 1 0 281.356 2.236 20 5 CEBDRO C[NH+](C)CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000791915593 648583618 /nfs/dbraw/zinc/58/36/18/648583618.db2.gz GZFOXBJLSHVOIO-UHFFFAOYSA-N 1 0 286.715 2.357 20 5 CEBDRO Cc1cc(F)cc(C(=O)OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000791991984 648591657 /nfs/dbraw/zinc/59/16/57/648591657.db2.gz HGNDQQQQYDZSBB-UHFFFAOYSA-N 1 0 284.287 2.151 20 5 CEBDRO C[C@H](NC1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019087 649242845 /nfs/dbraw/zinc/24/28/45/649242845.db2.gz SDWNLFPLXXDQNS-JTQLQIEISA-N 1 0 281.331 2.479 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872052000 649254929 /nfs/dbraw/zinc/25/49/29/649254929.db2.gz MAXIWKNFUSLOKF-SECBINFHSA-N 1 0 270.304 2.403 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129540 649287430 /nfs/dbraw/zinc/28/74/30/649287430.db2.gz KYRCECLEBXAOLL-JFGNBEQYSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000873057737 649545765 /nfs/dbraw/zinc/54/57/65/649545765.db2.gz ZGLCPMUGZDMYJM-YPMHNXCESA-N 1 0 291.351 2.037 20 5 CEBDRO CC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124390128 649555604 /nfs/dbraw/zinc/55/56/04/649555604.db2.gz RHTNSXKDWSLMLY-SNVBAGLBSA-N 1 0 258.705 2.109 20 5 CEBDRO CC[C@@H](O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873136439 649566772 /nfs/dbraw/zinc/56/67/72/649566772.db2.gz BDCDKQSWDHEZBW-LLVKDONJSA-N 1 0 252.314 2.072 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccc([N+](=O)[O-])cc1 ZINC000878660526 651155685 /nfs/dbraw/zinc/15/56/85/651155685.db2.gz UVVJYFZPGZAAIO-GXFFZTMASA-N 1 0 287.323 2.024 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879570018 651323558 /nfs/dbraw/zinc/32/35/58/651323558.db2.gz DHXJMYOIQFZUPE-SMDDNHRTSA-N 1 0 293.342 2.260 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000880237235 651406282 /nfs/dbraw/zinc/40/62/82/651406282.db2.gz UACPEASFLOVVFJ-RISCZKNCSA-N 1 0 282.315 2.310 20 5 CEBDRO [NH3+]CC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC1 ZINC000129368971 651933102 /nfs/dbraw/zinc/93/31/02/651933102.db2.gz JJTASBBCGMODPP-UHFFFAOYSA-N 1 0 288.307 2.415 20 5 CEBDRO CCN1CC[C@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000883358032 652441517 /nfs/dbraw/zinc/44/15/17/652441517.db2.gz ATAKKDJZYXKGKT-ZDUSSCGKSA-N 1 0 277.368 2.395 20 5 CEBDRO CC[NH+](CC)CCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000800084012 652645152 /nfs/dbraw/zinc/64/51/52/652645152.db2.gz XEFSRLMTUNNZBA-UHFFFAOYSA-N 1 0 294.351 2.412 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000884318014 652793050 /nfs/dbraw/zinc/79/30/50/652793050.db2.gz JWTJZUUFUGGGNE-ZDUSSCGKSA-N 1 0 293.367 2.154 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000884356120 652809286 /nfs/dbraw/zinc/80/92/86/652809286.db2.gz YZMMKYKIDIZTSQ-CHWSQXEVSA-N 1 0 291.351 2.013 20 5 CEBDRO CCOC(=O)c1ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228107488 806132629 /nfs/dbraw/zinc/13/26/29/806132629.db2.gz VHELQZVWPDFOQS-NSHDSACASA-O 1 0 282.360 2.042 20 5 CEBDRO Cc1nc(O[C@H](C)C[N+](C)(C)C)c2cccc(O)c2n1 ZINC001228832557 806348455 /nfs/dbraw/zinc/34/84/55/806348455.db2.gz JJKLPHYQVRGSAJ-SNVBAGLBSA-O 1 0 276.360 2.117 20 5 CEBDRO CC1(Nc2nc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168185742 806386397 /nfs/dbraw/zinc/38/63/97/806386397.db2.gz LDBJGHVSFZYXCB-UHFFFAOYSA-N 1 0 270.720 2.197 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160412115 806869630 /nfs/dbraw/zinc/86/96/30/806869630.db2.gz BPKZZIONBZSYSK-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO C[N+](C)(C)CCO[C@H]1CCc2c1nccc2Cl ZINC001224770466 806945681 /nfs/dbraw/zinc/94/56/81/806945681.db2.gz AYIWLWHKJKBUBV-LBPRGKRZSA-N 1 0 255.769 2.445 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOC2CCC2)c1 ZINC000690699831 802659356 /nfs/dbraw/zinc/65/93/56/802659356.db2.gz BQBNFFIUAVPOOI-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000694322892 803530614 /nfs/dbraw/zinc/53/06/14/803530614.db2.gz NZVXHPXKRWBDTL-OLZOCXBDSA-N 1 0 250.298 2.170 20 5 CEBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001218380300 803592125 /nfs/dbraw/zinc/59/21/25/803592125.db2.gz AAKDLGOALMXYHW-LHLIQPBNSA-N 1 0 276.214 2.353 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccoc2)cc1 ZINC000692724120 803823514 /nfs/dbraw/zinc/82/35/14/803823514.db2.gz JQKHBRDZJPNOHV-AWEZNQCLSA-N 1 0 276.292 2.054 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccoc2)cc1 ZINC000692724121 803824117 /nfs/dbraw/zinc/82/41/17/803824117.db2.gz JQKHBRDZJPNOHV-CQSZACIVSA-N 1 0 276.292 2.054 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C[NH3+])C(C)(C)C ZINC000302267937 804847217 /nfs/dbraw/zinc/84/72/17/804847217.db2.gz GQYUOFHRYBWYGR-JTQLQIEISA-N 1 0 252.318 2.084 20 5 CEBDRO COc1cccc(OC)c1O[C@H](C)C[N+](C)(C)C ZINC001225338939 804865919 /nfs/dbraw/zinc/86/59/19/804865919.db2.gz ACILTMGDPKOTCC-LLVKDONJSA-N 1 0 254.350 2.177 20 5 CEBDRO Cc1c(-c2noc([C@@H]3[NH2+]C[C@@H]4C[C@@H]43)n2)cccc1[N+](=O)[O-] ZINC001118900088 815053777 /nfs/dbraw/zinc/05/37/77/815053777.db2.gz IUPIQJWPTJBWNV-PTOFAABTSA-N 1 0 286.291 2.234 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000721776658 805402768 /nfs/dbraw/zinc/40/27/68/805402768.db2.gz NXWDHJFARMUSPV-ZDUSSCGKSA-N 1 0 278.352 2.496 20 5 CEBDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000721788889 805420022 /nfs/dbraw/zinc/42/00/22/805420022.db2.gz OFWWJIVKUVVBRW-NSHDSACASA-N 1 0 282.315 2.327 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698568445 807247291 /nfs/dbraw/zinc/24/72/91/807247291.db2.gz GLQFBQVLVZLTFG-LBPRGKRZSA-N 1 0 274.267 2.009 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716730926 815144091 /nfs/dbraw/zinc/14/40/91/815144091.db2.gz NMPFTXTUMIWRIE-SNVBAGLBSA-N 1 0 294.685 2.354 20 5 CEBDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000699831941 807865755 /nfs/dbraw/zinc/86/57/55/807865755.db2.gz AKJXLJCYBVFYNY-GXFFZTMASA-N 1 0 280.324 2.118 20 5 CEBDRO CCC1(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[NH2+]C1 ZINC001168583719 808671984 /nfs/dbraw/zinc/67/19/84/808671984.db2.gz SMKUQYMRIMNUON-UHFFFAOYSA-N 1 0 260.297 2.240 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000186401433 808740787 /nfs/dbraw/zinc/74/07/87/808740787.db2.gz QCOBBRTUFAXCGO-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001120726146 815263527 /nfs/dbraw/zinc/26/35/27/815263527.db2.gz BPGLAUHQGPGHPU-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627804 809333509 /nfs/dbraw/zinc/33/35/09/809333509.db2.gz PMNHTUORKISZEZ-JTQLQIEISA-N 1 0 297.742 2.072 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000700615012 809333633 /nfs/dbraw/zinc/33/36/33/809333633.db2.gz SPMKZQBIAAPFEQ-MNOVXSKESA-N 1 0 297.742 2.104 20 5 CEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700627529 809333773 /nfs/dbraw/zinc/33/37/73/809333773.db2.gz BRSBFMDAIDCULZ-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700631644 809334622 /nfs/dbraw/zinc/33/46/22/809334622.db2.gz KRWNZZKHHVQIIY-JTQLQIEISA-N 1 0 299.758 2.351 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701042063 809383711 /nfs/dbraw/zinc/38/37/11/809383711.db2.gz LPBHUNYNCDNXGN-ZJUUUORDSA-N 1 0 297.742 2.104 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000704631706 809742819 /nfs/dbraw/zinc/74/28/19/809742819.db2.gz YERQBNGSMAFOBD-WDEREUQCSA-N 1 0 297.742 2.119 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707492581 809914159 /nfs/dbraw/zinc/91/41/59/809914159.db2.gz KOTDVSIIFTWJBR-DKTWLAJQSA-N 1 0 270.716 2.109 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710966870 810007936 /nfs/dbraw/zinc/00/79/36/810007936.db2.gz ZVJSQUONWBXDGF-XYPYZODXSA-N 1 0 277.324 2.359 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000711223052 810050548 /nfs/dbraw/zinc/05/05/48/810050548.db2.gz DLNIHTOUMZJSHY-LBPRGKRZSA-N 1 0 262.309 2.396 20 5 CEBDRO COC(C)(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000711889306 810105097 /nfs/dbraw/zinc/10/50/97/810105097.db2.gz ZWKBITVHULYNAI-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001119817028 810547834 /nfs/dbraw/zinc/54/78/34/810547834.db2.gz MLFALJAVSLFMDK-KBPBESRZSA-N 1 0 282.315 2.254 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)nc2n1C ZINC001231041057 810580996 /nfs/dbraw/zinc/58/09/96/810580996.db2.gz JZLVIYUOISYAEU-VIFPVBQESA-N 1 0 283.783 2.095 20 5 CEBDRO C[NH+](C)C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000119289746 810767860 /nfs/dbraw/zinc/76/78/60/810767860.db2.gz XPHVSZUOFOLHIA-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO Cc1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)cc([N+](=O)[O-])c1 ZINC001122600073 815429578 /nfs/dbraw/zinc/42/95/78/815429578.db2.gz RFKHHSCIDYEBGP-VXGBXAGGSA-N 1 0 277.324 2.215 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3CC[C@@H]2O)C1 ZINC001168976343 811305143 /nfs/dbraw/zinc/30/51/43/811305143.db2.gz CWYUJBCOOCNCAJ-XTBFLFJDSA-N 1 0 290.363 2.070 20 5 CEBDRO [NH3+]Cc1ccc2ncn([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168977675 811306680 /nfs/dbraw/zinc/30/66/80/811306680.db2.gz LERJLAUXJJSLKA-RYUDHWBXSA-N 1 0 274.324 2.113 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)nc1 ZINC001168978626 811308823 /nfs/dbraw/zinc/30/88/23/811308823.db2.gz TVCVTRUFAHJVOM-RWMBFGLXSA-N 1 0 263.341 2.486 20 5 CEBDRO Cc1ccc(C(=O)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168982915 811309288 /nfs/dbraw/zinc/30/92/88/811309288.db2.gz JFHHWXGKXSEKCV-GXTWGEPZSA-N 1 0 276.336 2.213 20 5 CEBDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168958065 811312470 /nfs/dbraw/zinc/31/24/70/811312470.db2.gz LLZFMKHPROOCNA-STQMWFEESA-N 1 0 264.325 2.230 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001168955476 811312958 /nfs/dbraw/zinc/31/29/58/811312958.db2.gz ARURXBABGDFWNC-GHMZBOCLSA-N 1 0 254.355 2.326 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC001168963693 811317001 /nfs/dbraw/zinc/31/70/01/811317001.db2.gz PSLURXCLIAQEHB-YUELXQCFSA-N 1 0 278.352 2.145 20 5 CEBDRO CCOc1ccnc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991554 811323207 /nfs/dbraw/zinc/32/32/07/811323207.db2.gz HKNDJIWNGIRULP-NEPJUHHUSA-N 1 0 279.340 2.015 20 5 CEBDRO Cc1cccnc1C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999072 811326634 /nfs/dbraw/zinc/32/66/34/811326634.db2.gz RSKDOSSKEOATRO-ZIAGYGMSSA-N 1 0 289.379 2.457 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(CC3CCC3)cn2)C1 ZINC001168998495 811327532 /nfs/dbraw/zinc/32/75/32/811327532.db2.gz NREMURIXVJDRTL-KBPBESRZSA-N 1 0 292.383 2.218 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2Cl)C1 ZINC001169000912 811328368 /nfs/dbraw/zinc/32/83/68/811328368.db2.gz ZKQSYPRFKLPHSC-COPLHBTASA-N 1 0 298.770 2.408 20 5 CEBDRO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@@H]12 ZINC001169007586 811332666 /nfs/dbraw/zinc/33/26/66/811332666.db2.gz OIBNIIQAQUOFNJ-DGAVXFQQSA-N 1 0 280.368 2.265 20 5 CEBDRO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169012294 811335177 /nfs/dbraw/zinc/33/51/77/811335177.db2.gz OYIAASCMUYNFHJ-QWHCGFSZSA-N 1 0 288.351 2.212 20 5 CEBDRO C[N@H+](CCOc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027113 811338889 /nfs/dbraw/zinc/33/88/89/811338889.db2.gz PDMLVXXDKHWJIX-KGLIPLIRSA-N 1 0 278.352 2.443 20 5 CEBDRO C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052545 811356590 /nfs/dbraw/zinc/35/65/90/811356590.db2.gz HDIQQQHQNWKEMP-CFVMTHIKSA-N 1 0 290.363 2.367 20 5 CEBDRO CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[C@@](C)(C[NH3+])C1 ZINC001169138927 811400711 /nfs/dbraw/zinc/40/07/11/811400711.db2.gz WSBRVJRXWJNZOC-QMTHXVAHSA-N 1 0 293.371 2.340 20 5 CEBDRO C[C@H]([NH3+])c1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001169230998 811443655 /nfs/dbraw/zinc/44/36/55/811443655.db2.gz CNJHJQMYPPBFRK-QMMMGPOBSA-N 1 0 271.280 2.282 20 5 CEBDRO C[C@@H](COC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N+](=O)[O-] ZINC001122950037 815456900 /nfs/dbraw/zinc/45/69/00/815456900.db2.gz FBPGOZUIFABWSQ-NSHDSACASA-N 1 0 296.323 2.088 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169564836 811569365 /nfs/dbraw/zinc/56/93/65/811569365.db2.gz WJRQCDYMCZLLMN-MRVPVSSYSA-N 1 0 270.720 2.197 20 5 CEBDRO CCOC(=O)c1ccc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169726318 811628399 /nfs/dbraw/zinc/62/83/99/811628399.db2.gz RXVGQOPFYXVGFD-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO CO[C@@H](C)CNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001169778479 811656000 /nfs/dbraw/zinc/65/60/00/811656000.db2.gz QSVSXEOSPRPQAR-JTQLQIEISA-N 1 0 279.340 2.030 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771286890 811954641 /nfs/dbraw/zinc/95/46/41/811954641.db2.gz HGUCAGLZEFNSGR-UWVGGRQHSA-N 1 0 294.311 2.032 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@]2(C)CCC[NH2+]C2)n1 ZINC001156967888 811975612 /nfs/dbraw/zinc/97/56/12/811975612.db2.gz KINFJUBTWYRZMJ-AWEZNQCLSA-N 1 0 278.356 2.185 20 5 CEBDRO C[NH+]1CC(CNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001170253729 812374181 /nfs/dbraw/zinc/37/41/81/812374181.db2.gz QIRMJLQHYMJVJA-UHFFFAOYSA-N 1 0 290.298 2.256 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC001170299733 812376978 /nfs/dbraw/zinc/37/69/78/812376978.db2.gz VUIOYUBUFZPQFR-PSOPSSQASA-N 1 0 294.351 2.037 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH+]2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327747 812386432 /nfs/dbraw/zinc/38/64/32/812386432.db2.gz HLWFQLKNGIOYGE-LLVKDONJSA-N 1 0 264.325 2.486 20 5 CEBDRO COC[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896886 815538542 /nfs/dbraw/zinc/53/85/42/815538542.db2.gz TWDPRFRMCKUSLL-FZMZJTMJSA-N 1 0 278.352 2.467 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCF)CC2 ZINC001172899077 815539554 /nfs/dbraw/zinc/53/95/54/815539554.db2.gz LCSGDLJTTLFWSD-LBPRGKRZSA-N 1 0 252.289 2.401 20 5 CEBDRO COC(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OC ZINC001172901151 815539636 /nfs/dbraw/zinc/53/96/36/815539636.db2.gz KCCHPDNEUPJBOR-ZDUSSCGKSA-N 1 0 294.351 2.051 20 5 CEBDRO O=C1CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902158 815539759 /nfs/dbraw/zinc/53/97/59/815539759.db2.gz WFMPPBJVVCDWER-AWEZNQCLSA-N 1 0 288.347 2.411 20 5 CEBDRO CC(C)(O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895453 815542487 /nfs/dbraw/zinc/54/24/87/815542487.db2.gz DMWTYLORSDXMCG-ZDUSSCGKSA-N 1 0 278.352 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC001172895723 815542826 /nfs/dbraw/zinc/54/28/26/815542826.db2.gz IAKPJEYAVWVLMM-NUEKZKHPSA-N 1 0 290.363 2.345 20 5 CEBDRO CCOCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895231 815542959 /nfs/dbraw/zinc/54/29/59/815542959.db2.gz BCBWPCLXXZTOPE-CQSZACIVSA-N 1 0 278.352 2.468 20 5 CEBDRO CO[C@@H](C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913846 815543782 /nfs/dbraw/zinc/54/37/82/815543782.db2.gz ZLDIIJGURRTSHT-FZMZJTMJSA-N 1 0 278.352 2.467 20 5 CEBDRO C[C@@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001158348890 812667358 /nfs/dbraw/zinc/66/73/58/812667358.db2.gz MVBNPAIZUUWQDH-SECBINFHSA-N 1 0 283.291 2.348 20 5 CEBDRO C[C@@]1(C[NH3+])CCCN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001158674695 812889184 /nfs/dbraw/zinc/88/91/84/812889184.db2.gz AQEQEYUNBKRUQZ-LBPRGKRZSA-N 1 0 284.747 2.208 20 5 CEBDRO C[C@H](CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132971503 813069074 /nfs/dbraw/zinc/06/90/74/813069074.db2.gz QVNCHWRCHDOJHF-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)[NH3+] ZINC001170890766 813619690 /nfs/dbraw/zinc/61/96/90/813619690.db2.gz GZBWKHNCJSTEOW-SECBINFHSA-N 1 0 253.302 2.143 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[C@H]2F)c1F ZINC001173180984 815617143 /nfs/dbraw/zinc/61/71/43/815617143.db2.gz AHHNOEGRKNIWMI-FXBDTBDDSA-N 1 0 286.278 2.374 20 5 CEBDRO COc1ccc(OC[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000697086748 814644985 /nfs/dbraw/zinc/64/49/85/814644985.db2.gz MAXYJSBKGNMLHN-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000712613325 814758032 /nfs/dbraw/zinc/75/80/32/814758032.db2.gz GVNLKDGZUUKVAT-SECBINFHSA-N 1 0 253.277 2.240 20 5 CEBDRO CN1CC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000712544733 814764422 /nfs/dbraw/zinc/76/44/22/814764422.db2.gz ZABDRJRSNAUBKR-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000712567489 814767129 /nfs/dbraw/zinc/76/71/29/814767129.db2.gz YDECJRIMFDTHMM-AAEUAGOBSA-N 1 0 263.341 2.258 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000712571766 814767535 /nfs/dbraw/zinc/76/75/35/814767535.db2.gz YCWDKMFJAQHMCN-GFCCVEGCSA-N 1 0 283.759 2.432 20 5 CEBDRO C[C@H]([NH2+]CCOC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000714981496 814920268 /nfs/dbraw/zinc/92/02/68/814920268.db2.gz CEILUKMWVZWUKM-JTQLQIEISA-N 1 0 250.298 2.424 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216813 815623462 /nfs/dbraw/zinc/62/34/62/815623462.db2.gz NEYFVCQQWCEXGG-GHMZBOCLSA-N 1 0 252.314 2.150 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001173221254 815626620 /nfs/dbraw/zinc/62/66/20/815626620.db2.gz GQTPFPISQUMKKL-XUJVJEKNSA-N 1 0 278.352 2.229 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](C)C1 ZINC001173226489 815631661 /nfs/dbraw/zinc/63/16/61/815631661.db2.gz MAPGQYVIZYNZBW-STQMWFEESA-N 1 0 278.352 2.494 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccncn1 ZINC001173235957 815634591 /nfs/dbraw/zinc/63/45/91/815634591.db2.gz CZIKURMUADBOBP-GFCCVEGCSA-N 1 0 286.335 2.448 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](O)C1 ZINC001173211586 815635656 /nfs/dbraw/zinc/63/56/56/815635656.db2.gz TUDKQVJMIJFPBG-JKOKRWQUSA-N 1 0 264.325 2.029 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001176524240 816433822 /nfs/dbraw/zinc/43/38/22/816433822.db2.gz MZKXBOWHBDBJKD-CYBMUJFWSA-N 1 0 284.319 2.374 20 5 CEBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000032243847 361734107 /nfs/dbraw/zinc/73/41/07/361734107.db2.gz PKRZMDINKYPJKQ-UHFFFAOYSA-N 1 0 283.328 2.036 20 5 CEBDRO O=C(NCC[NH+]1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337431289 214077769 /nfs/dbraw/zinc/07/77/69/214077769.db2.gz ZBJMKNZFNJUCLG-UHFFFAOYSA-N 1 0 298.730 2.075 20 5 CEBDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601289942 346813869 /nfs/dbraw/zinc/81/38/69/346813869.db2.gz WYXITYXQGBKMJS-FOGDFJRCSA-N 1 0 250.298 2.016 20 5 CEBDRO O=[N+]([O-])c1cccc(N2CCN(c3ccccn3)CC2)c1 ZINC000035804323 361823783 /nfs/dbraw/zinc/82/37/83/361823783.db2.gz OONUOTCSJWPUKC-UHFFFAOYSA-N 1 0 284.319 2.316 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977015 361877019 /nfs/dbraw/zinc/87/70/19/361877019.db2.gz OZNVGSLOEDOTOY-UONOGXRCSA-N 1 0 291.351 2.304 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000037647802 361917950 /nfs/dbraw/zinc/91/79/50/361917950.db2.gz HESZXJQQZMZZES-SECBINFHSA-N 1 0 253.277 2.098 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000037668390 361919578 /nfs/dbraw/zinc/91/95/78/361919578.db2.gz RTALSCDTFWTLDZ-JMSVASOKSA-N 1 0 277.368 2.413 20 5 CEBDRO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766564 361933068 /nfs/dbraw/zinc/93/30/68/361933068.db2.gz IBZFGDZHDUGURI-MFKMUULPSA-N 1 0 279.340 2.290 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000037775636 361935750 /nfs/dbraw/zinc/93/57/50/361935750.db2.gz ODSIHZOWZIWRGQ-SNVBAGLBSA-N 1 0 260.297 2.179 20 5 CEBDRO CC[NH+]1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000037977179 361969476 /nfs/dbraw/zinc/96/94/76/361969476.db2.gz KSYJCOYCXUVQIA-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000037997234 361976926 /nfs/dbraw/zinc/97/69/26/361976926.db2.gz OWOXIMMYAZTXAK-LBPRGKRZSA-N 1 0 293.367 2.298 20 5 CEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847726 290663482 /nfs/dbraw/zinc/66/34/82/290663482.db2.gz OZMYRMZEHMHGHY-HUUCEWRRSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H]([NH2+]CCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000041118895 362019827 /nfs/dbraw/zinc/01/98/27/362019827.db2.gz PKYTZQKBHBKSTR-NSHDSACASA-N 1 0 260.297 2.142 20 5 CEBDRO CCC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000127545088 365752870 /nfs/dbraw/zinc/75/28/70/365752870.db2.gz COTULEYNNZXVGY-UHFFFAOYSA-N 1 0 268.313 2.454 20 5 CEBDRO Cc1c(NC(=O)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000043348059 343463179 /nfs/dbraw/zinc/46/31/79/343463179.db2.gz NWXQYMGZPSBHKB-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000046784023 343504149 /nfs/dbraw/zinc/50/41/49/343504149.db2.gz ZTOVVFDEBDQUTB-CYBMUJFWSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336724200 365786612 /nfs/dbraw/zinc/78/66/12/365786612.db2.gz BECMFPOTUFETRT-APPZFPTMSA-N 1 0 258.368 2.497 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057159885 343625963 /nfs/dbraw/zinc/62/59/63/343625963.db2.gz BNCNOERAUQWSPZ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067682982 343741810 /nfs/dbraw/zinc/74/18/10/343741810.db2.gz JJGUVWPVRHQYEU-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000066808976 343722334 /nfs/dbraw/zinc/72/23/34/343722334.db2.gz MMKXVPLSVVUSGH-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(CC12CC(C1)C[NH2+]2)C1CC1 ZINC000602017644 346960729 /nfs/dbraw/zinc/96/07/29/346960729.db2.gz QFXJPUQTQMDNCW-UHFFFAOYSA-N 1 0 287.363 2.311 20 5 CEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068801100 343773757 /nfs/dbraw/zinc/77/37/57/343773757.db2.gz ZOZIGTBQYRYAHV-UHFFFAOYSA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000602024548 346963637 /nfs/dbraw/zinc/96/36/37/346963637.db2.gz AXIYXGIJNRMGLX-UHFFFAOYSA-N 1 0 277.324 2.184 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[NH+](C)C ZINC000602082475 346969658 /nfs/dbraw/zinc/96/96/58/346969658.db2.gz DZBVQWDZPNVYMP-GFCCVEGCSA-N 1 0 293.367 2.282 20 5 CEBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000076605174 343893817 /nfs/dbraw/zinc/89/38/17/343893817.db2.gz GDVHFQMCHUDRSB-LBPRGKRZSA-N 1 0 266.345 2.378 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000076776116 343898050 /nfs/dbraw/zinc/89/80/50/343898050.db2.gz GQLJBWGFKXLGIM-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000048336223 362257225 /nfs/dbraw/zinc/25/72/25/362257225.db2.gz GFELWXGKPODYGH-SNVBAGLBSA-N 1 0 280.324 2.144 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000078424892 343952282 /nfs/dbraw/zinc/95/22/82/343952282.db2.gz VEQMVRLVCKSYSD-ZDUSSCGKSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1cnc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000078626834 343959359 /nfs/dbraw/zinc/95/93/59/343959359.db2.gz JZEZRJLEEPUWHQ-UHFFFAOYSA-N 1 0 299.334 2.020 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)c1 ZINC000092582726 344195501 /nfs/dbraw/zinc/19/55/01/344195501.db2.gz HMLQBCJCOCGGEJ-UHFFFAOYSA-N 1 0 285.319 2.495 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000092656563 344198302 /nfs/dbraw/zinc/19/83/02/344198302.db2.gz IXIYVBKXOOVCHW-ZDUSSCGKSA-N 1 0 290.367 2.220 20 5 CEBDRO COc1cc(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000113541768 344277613 /nfs/dbraw/zinc/27/76/13/344277613.db2.gz PZVSRJZDEMTYLK-UHFFFAOYSA-N 1 0 279.340 2.134 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000119046021 344293092 /nfs/dbraw/zinc/29/30/92/344293092.db2.gz AHGWRFVDTFIZNG-GHMZBOCLSA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000126380517 344323595 /nfs/dbraw/zinc/32/35/95/344323595.db2.gz RGVHAGBVOOJQQL-SNVBAGLBSA-N 1 0 252.314 2.264 20 5 CEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449709847 282337309 /nfs/dbraw/zinc/33/73/09/282337309.db2.gz KKDTZICWPHPXMB-RKDXNWHRSA-N 1 0 297.742 2.105 20 5 CEBDRO Cc1cc(OC[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000123456675 344310183 /nfs/dbraw/zinc/31/01/83/344310183.db2.gz YQOSOBIOJOMIOF-VIFPVBQESA-N 1 0 254.261 2.031 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000151742810 344422994 /nfs/dbraw/zinc/42/29/94/344422994.db2.gz BDILARRJONESKU-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO C[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414824871 529978261 /nfs/dbraw/zinc/97/82/61/529978261.db2.gz ROFLOZVLIZFSQA-UHFFFAOYSA-N 1 0 275.308 2.164 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000144375729 344407345 /nfs/dbraw/zinc/40/73/45/344407345.db2.gz MNDFBAHKJVAEDB-OAHLLOKOSA-N 1 0 275.352 2.265 20 5 CEBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000147864578 344412780 /nfs/dbraw/zinc/41/27/80/344412780.db2.gz DSUSAMFPTAKRFW-UHFFFAOYSA-N 1 0 293.367 2.363 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000161460397 344464427 /nfs/dbraw/zinc/46/44/27/344464427.db2.gz RDXKUKRXXDNHEO-GHMZBOCLSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)n1 ZINC000162722503 344468685 /nfs/dbraw/zinc/46/86/85/344468685.db2.gz YYZJTJLCAVLFMQ-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000228560388 344560740 /nfs/dbraw/zinc/56/07/40/344560740.db2.gz UWWZBEKIGXSVGN-SNVBAGLBSA-N 1 0 274.280 2.378 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000228560318 344561146 /nfs/dbraw/zinc/56/11/46/344561146.db2.gz GSPUOCLQPPSHNR-SECBINFHSA-N 1 0 260.253 2.069 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000051896546 362447448 /nfs/dbraw/zinc/44/74/48/362447448.db2.gz LUCYJOYPUOSAGO-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCO1 ZINC000237947610 344604645 /nfs/dbraw/zinc/60/46/45/344604645.db2.gz RHZUFVKRCZNSSM-YIALFULDSA-N 1 0 262.309 2.377 20 5 CEBDRO C[NH2+][C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000053201359 362486462 /nfs/dbraw/zinc/48/64/62/362486462.db2.gz XSMVZWAEMCRTMM-AAEUAGOBSA-N 1 0 263.341 2.340 20 5 CEBDRO C[N@@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310670874 344730764 /nfs/dbraw/zinc/73/07/64/344730764.db2.gz HLGHKEJCQDZCLX-QMMMGPOBSA-N 1 0 270.720 2.149 20 5 CEBDRO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCC[NH2+]CC1 ZINC000310686165 344731094 /nfs/dbraw/zinc/73/10/94/344731094.db2.gz MMCPBMHBGGHDDN-QMMMGPOBSA-N 1 0 270.720 2.197 20 5 CEBDRO CCN(CC[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602535582 347069408 /nfs/dbraw/zinc/06/94/08/347069408.db2.gz QJSCHTVKVVWWAZ-UHFFFAOYSA-N 1 0 293.348 2.230 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293359088 344691945 /nfs/dbraw/zinc/69/19/45/344691945.db2.gz ZUFFTIKJGUSWTF-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159706 344709603 /nfs/dbraw/zinc/70/96/03/344709603.db2.gz DUVDABPIFSPMDJ-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602549575 347072352 /nfs/dbraw/zinc/07/23/52/347072352.db2.gz FDHUBRARBNNQKP-AWEZNQCLSA-N 1 0 291.307 2.252 20 5 CEBDRO C[C@H]1CCC[C@]1(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000327965700 344754634 /nfs/dbraw/zinc/75/46/34/344754634.db2.gz DTLWPDNXGHUJLU-WFASDCNBSA-N 1 0 278.352 2.278 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449756020 282355902 /nfs/dbraw/zinc/35/59/02/282355902.db2.gz VDHDYZPQRWLCLE-ZDUSSCGKSA-N 1 0 291.351 2.028 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602545144 347071681 /nfs/dbraw/zinc/07/16/81/347071681.db2.gz NKAWMEBRZZYJSK-WDEREUQCSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602554725 347074570 /nfs/dbraw/zinc/07/45/70/347074570.db2.gz OHKXBULZPMPMOV-KCJUWKMLSA-N 1 0 297.742 2.119 20 5 CEBDRO CC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776080 282363324 /nfs/dbraw/zinc/36/33/24/282363324.db2.gz OCNNNPYLQGXYMN-ZHZWZMEUSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402270397 344872276 /nfs/dbraw/zinc/87/22/76/344872276.db2.gz DLQZGIACANENLU-PWSUYJOCSA-N 1 0 250.298 2.170 20 5 CEBDRO Cc1cncc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000402807880 344873777 /nfs/dbraw/zinc/87/37/77/344873777.db2.gz CNFKTMKQYAFLHH-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000449793514 282370555 /nfs/dbraw/zinc/37/05/55/282370555.db2.gz XDNBDZMBHNWBCQ-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000586773526 345020622 /nfs/dbraw/zinc/02/06/22/345020622.db2.gz QDCIZLYHCDUIQE-ZDUSSCGKSA-N 1 0 264.325 2.248 20 5 CEBDRO COCCC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000054364665 362532651 /nfs/dbraw/zinc/53/26/51/362532651.db2.gz PAQKVUJXXJORTP-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590053010 345111364 /nfs/dbraw/zinc/11/13/64/345111364.db2.gz SBASYWMVHFPIMG-HIFRSBDPSA-N 1 0 275.352 2.039 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590404089 345133908 /nfs/dbraw/zinc/13/39/08/345133908.db2.gz TWRPIRFNIFECFS-RISCZKNCSA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590403353 345133920 /nfs/dbraw/zinc/13/39/20/345133920.db2.gz QOGYMTRESLSRJE-AAEUAGOBSA-N 1 0 291.351 2.068 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448915 345257182 /nfs/dbraw/zinc/25/71/82/345257182.db2.gz QCRJLPUBRYTFQM-GWCFXTLKSA-N 1 0 295.770 2.432 20 5 CEBDRO O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591435506 345253195 /nfs/dbraw/zinc/25/31/95/345253195.db2.gz CCCUIJZIBLMOLK-TXEJJXNPSA-N 1 0 298.346 2.474 20 5 CEBDRO Cc1cccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000591435857 345253745 /nfs/dbraw/zinc/25/37/45/345253745.db2.gz XSTYXYXANLTFKI-TXEJJXNPSA-N 1 0 261.325 2.234 20 5 CEBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1[N+](=O)[O-] ZINC000591436565 345253787 /nfs/dbraw/zinc/25/37/87/345253787.db2.gz BUZDDJKQXIHRDI-YPMHNXCESA-N 1 0 261.325 2.091 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591438641 345254684 /nfs/dbraw/zinc/25/46/84/345254684.db2.gz OULZQVOPQGCALC-XHDPSFHLSA-N 1 0 298.346 2.331 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972134 345207736 /nfs/dbraw/zinc/20/77/36/345207736.db2.gz HKOMRZDSJZACCI-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972297 345208401 /nfs/dbraw/zinc/20/84/01/345208401.db2.gz FNYNYNBNPJJWFH-DOMZBBRYSA-N 1 0 292.335 2.084 20 5 CEBDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577850 345265843 /nfs/dbraw/zinc/26/58/43/345265843.db2.gz IWIASBHJNNYHDC-AAEUAGOBSA-N 1 0 263.341 2.388 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000591673100 345273399 /nfs/dbraw/zinc/27/33/99/345273399.db2.gz MXRXRMKGPKNTQE-SNVBAGLBSA-N 1 0 299.277 2.087 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000591830121 345286459 /nfs/dbraw/zinc/28/64/59/345286459.db2.gz LMXUDAYTUXHWBJ-VHSXEESVSA-N 1 0 267.354 2.187 20 5 CEBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374393 345347106 /nfs/dbraw/zinc/34/71/06/345347106.db2.gz DTJSUWNEFWYGCG-AAEUAGOBSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000592374824 345347494 /nfs/dbraw/zinc/34/74/94/345347494.db2.gz LLTWUEHIXUAGPG-YPMHNXCESA-N 1 0 266.341 2.482 20 5 CEBDRO CC(C)([NH2+]Cc1ccc(N)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000592429251 345351624 /nfs/dbraw/zinc/35/16/24/345351624.db2.gz CPYGCIWROGJPCZ-UHFFFAOYSA-N 1 0 286.335 2.427 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592432855 345353034 /nfs/dbraw/zinc/35/30/34/345353034.db2.gz ZBWIJIDFUOCRQB-YQRAZLAVSA-N 1 0 287.363 2.292 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593070930 345433164 /nfs/dbraw/zinc/43/31/64/345433164.db2.gz YHWZPFSWQNHTBY-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CF)CC2)c1 ZINC000295112973 199351411 /nfs/dbraw/zinc/35/14/11/199351411.db2.gz ITDUDVMHTPFUTP-CQSZACIVSA-N 1 0 282.315 2.310 20 5 CEBDRO CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592832146 345402012 /nfs/dbraw/zinc/40/20/12/345402012.db2.gz RNSRQDJVDXOBHB-NSHDSACASA-N 1 0 297.380 2.213 20 5 CEBDRO Cc1ccnc(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593515342 345501521 /nfs/dbraw/zinc/50/15/21/345501521.db2.gz GGPAPPPGSNZDMW-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725268 345527758 /nfs/dbraw/zinc/52/77/58/345527758.db2.gz WXRSHENIRGHLQH-IUODEOHRSA-N 1 0 294.351 2.095 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725269 345527942 /nfs/dbraw/zinc/52/79/42/345527942.db2.gz WXRSHENIRGHLQH-SWLSCSKDSA-N 1 0 294.351 2.095 20 5 CEBDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593724412 345527964 /nfs/dbraw/zinc/52/79/64/345527964.db2.gz VRWDRKXYAHESJY-NEPJUHHUSA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000593903305 345550798 /nfs/dbraw/zinc/55/07/98/345550798.db2.gz ZEEFCWPDOLMANA-NSHDSACASA-N 1 0 277.324 2.231 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000594016801 345566678 /nfs/dbraw/zinc/56/66/78/345566678.db2.gz IOUGMAJLYDSNGZ-AWEZNQCLSA-N 1 0 294.351 2.340 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000594495720 345638193 /nfs/dbraw/zinc/63/81/93/345638193.db2.gz URQFIQARTQUOMJ-AWEZNQCLSA-N 1 0 286.335 2.459 20 5 CEBDRO CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505493 345639701 /nfs/dbraw/zinc/63/97/01/345639701.db2.gz WTSLQSLLNMVYDH-RISCZKNCSA-N 1 0 275.352 2.266 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cnccn1 ZINC000594503125 345639780 /nfs/dbraw/zinc/63/97/80/345639780.db2.gz TVYSPUMTZMQORI-AWEZNQCLSA-N 1 0 284.319 2.204 20 5 CEBDRO CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507505 345640138 /nfs/dbraw/zinc/64/01/38/345640138.db2.gz FNUHZHFHSXJKEI-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510193 345640949 /nfs/dbraw/zinc/64/09/49/345640949.db2.gz ARTSBJBSLKTUIV-SKDRFNHKSA-N 1 0 264.325 2.331 20 5 CEBDRO COc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594592248 345653758 /nfs/dbraw/zinc/65/37/58/345653758.db2.gz OQCBNHSKRCYYLV-KLPPZKSPSA-N 1 0 279.340 2.356 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCOCC3)nc2c1 ZINC000602580519 347086940 /nfs/dbraw/zinc/08/69/40/347086940.db2.gz FCZDEVSMSVHQTE-SNVBAGLBSA-N 1 0 291.307 2.395 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595089866 345740659 /nfs/dbraw/zinc/74/06/59/345740659.db2.gz PVBNKSQUAOPDFR-NWANDNLSSA-N 1 0 288.347 2.475 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](O)C1)CCCC2 ZINC000595105777 345742737 /nfs/dbraw/zinc/74/27/37/345742737.db2.gz YOFBSAPUGOSLPJ-UXIGCNINSA-N 1 0 276.336 2.475 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595307149 345759228 /nfs/dbraw/zinc/75/92/28/345759228.db2.gz SQQDBRNQGWYTQZ-ZDUSSCGKSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1CCC[NH3+] ZINC000595258080 345750166 /nfs/dbraw/zinc/75/01/66/345750166.db2.gz INEXVVJLPXPGIP-GHMZBOCLSA-N 1 0 295.339 2.167 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CCO[C@H]2CC2(F)F)cs1 ZINC000594970137 345719641 /nfs/dbraw/zinc/71/96/41/345719641.db2.gz CMBKYTWBCPUMAW-QMMMGPOBSA-N 1 0 278.280 2.170 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594993542 345722770 /nfs/dbraw/zinc/72/27/70/345722770.db2.gz BOORRLSTCLNGCI-NEPJUHHUSA-N 1 0 254.261 2.001 20 5 CEBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594994503 345723152 /nfs/dbraw/zinc/72/31/52/345723152.db2.gz HDPGNMCNZKRORG-GFCCVEGCSA-N 1 0 264.325 2.500 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[NH+](C)C ZINC000595006136 345724568 /nfs/dbraw/zinc/72/45/68/345724568.db2.gz HZPXNWPFXYNSHL-LLVKDONJSA-N 1 0 281.356 2.206 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000595005296 345724852 /nfs/dbraw/zinc/72/48/52/345724852.db2.gz BMVRKZZRVFGXGA-JQWIXIFHSA-N 1 0 280.324 2.433 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000595014344 345726816 /nfs/dbraw/zinc/72/68/16/345726816.db2.gz OQCZXOSGJRWBNB-CYBMUJFWSA-N 1 0 272.308 2.416 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000595017709 345728050 /nfs/dbraw/zinc/72/80/50/345728050.db2.gz NDJVENSLNUIFOF-RYUDHWBXSA-N 1 0 293.367 2.348 20 5 CEBDRO COCC1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595030319 345730940 /nfs/dbraw/zinc/73/09/40/345730940.db2.gz QDYXOUVJESTFDM-JTQLQIEISA-N 1 0 280.324 2.433 20 5 CEBDRO COC[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC000595405099 345775385 /nfs/dbraw/zinc/77/53/85/345775385.db2.gz SSOUECBEQOJKDW-OAHLLOKOSA-N 1 0 294.351 2.221 20 5 CEBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457896 345788420 /nfs/dbraw/zinc/78/84/20/345788420.db2.gz CWSPIQVBBWZOOM-BXKDBHETSA-N 1 0 268.288 2.249 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CC(n3cccn3)C2)c1 ZINC000602580830 347087843 /nfs/dbraw/zinc/08/78/43/347087843.db2.gz PAKWQXFIRAHFRR-UHFFFAOYSA-N 1 0 286.335 2.327 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595751429 345866693 /nfs/dbraw/zinc/86/66/93/345866693.db2.gz QJHRVAJYDDZREZ-HNNXBMFYSA-N 1 0 276.336 2.332 20 5 CEBDRO COc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000595756456 345868256 /nfs/dbraw/zinc/86/82/56/345868256.db2.gz GFULTDXRMTWBFV-WFASDCNBSA-N 1 0 292.335 2.072 20 5 CEBDRO O=C(CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595812666 345883210 /nfs/dbraw/zinc/88/32/10/345883210.db2.gz YIYIGUMVXNDWSN-VXGBXAGGSA-N 1 0 289.335 2.265 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595907046 345910798 /nfs/dbraw/zinc/91/07/98/345910798.db2.gz DVGPSEGKYMFHIC-GZMMTYOYSA-N 1 0 291.273 2.477 20 5 CEBDRO CSc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595945872 345916716 /nfs/dbraw/zinc/91/67/16/345916716.db2.gz PSSUFSJDQIJMRO-UHFFFAOYSA-N 1 0 297.380 2.126 20 5 CEBDRO CCC(CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070524 345932186 /nfs/dbraw/zinc/93/21/86/345932186.db2.gz QOCZCOZIBFSFES-GFCCVEGCSA-N 1 0 296.371 2.474 20 5 CEBDRO O=c1[nH]ccc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000596075637 345934107 /nfs/dbraw/zinc/93/41/07/345934107.db2.gz LVFJTYRLKNPOSB-UHFFFAOYSA-N 1 0 294.355 2.420 20 5 CEBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596117128 345943572 /nfs/dbraw/zinc/94/35/72/345943572.db2.gz WFLVKVBMFBEZPY-NSHDSACASA-N 1 0 299.396 2.487 20 5 CEBDRO O=c1[nH]ccc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596244034 345979036 /nfs/dbraw/zinc/97/90/36/345979036.db2.gz NVGJXVSCBSRMOO-UHFFFAOYSA-N 1 0 294.355 2.373 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NCCN(C)CCC[NH+](C)C ZINC000596423700 346020160 /nfs/dbraw/zinc/02/01/60/346020160.db2.gz AKXZOXDLDOXEMD-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596309798 345996181 /nfs/dbraw/zinc/99/61/81/345996181.db2.gz WQAWDSZZQHYNNP-NSHDSACASA-N 1 0 295.387 2.404 20 5 CEBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000596453698 346027796 /nfs/dbraw/zinc/02/77/96/346027796.db2.gz LYNCYYRBQNZYJG-SNVBAGLBSA-N 1 0 280.328 2.057 20 5 CEBDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000596654007 346072978 /nfs/dbraw/zinc/07/29/78/346072978.db2.gz NJMRREUFFALWLC-KOLCDFICSA-N 1 0 251.330 2.162 20 5 CEBDRO CC[C@H](NCC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596655294 346073006 /nfs/dbraw/zinc/07/30/06/346073006.db2.gz UJXNIFKSBXUSEI-WPBUFGDCSA-N 1 0 275.352 2.388 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000311545033 201890517 /nfs/dbraw/zinc/89/05/17/201890517.db2.gz ZEBXHCXXXNJKSS-QWHCGFSZSA-N 1 0 264.325 2.236 20 5 CEBDRO COCCC1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597183546 346143485 /nfs/dbraw/zinc/14/34/85/346143485.db2.gz KEQALTRCTRKPIP-UHFFFAOYSA-N 1 0 264.325 2.372 20 5 CEBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000597946635 346255911 /nfs/dbraw/zinc/25/59/11/346255911.db2.gz QYJKGSSTYSRYBY-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO CC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000295144527 199370370 /nfs/dbraw/zinc/37/03/70/199370370.db2.gz QIFGSDDNKOOJPY-GFCCVEGCSA-N 1 0 252.314 2.106 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676750 346398836 /nfs/dbraw/zinc/39/88/36/346398836.db2.gz KEFWSCZSXZKNTM-FZMZJTMJSA-N 1 0 278.352 2.354 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645113 346391201 /nfs/dbraw/zinc/39/12/01/346391201.db2.gz DREPUWVESRPLBS-DGCLKSJQSA-N 1 0 294.351 2.054 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645111 346391570 /nfs/dbraw/zinc/39/15/70/346391570.db2.gz DREPUWVESRPLBS-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598645115 346391620 /nfs/dbraw/zinc/39/16/20/346391620.db2.gz DREPUWVESRPLBS-YPMHNXCESA-N 1 0 294.351 2.054 20 5 CEBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000339221414 215020634 /nfs/dbraw/zinc/02/06/34/215020634.db2.gz BCEXSVPYOHINSD-JQWIXIFHSA-N 1 0 278.308 2.151 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913234 346433369 /nfs/dbraw/zinc/43/33/69/346433369.db2.gz FVIFGALCPPTMBH-RNFRBKRXSA-N 1 0 286.719 2.105 20 5 CEBDRO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598914357 346433442 /nfs/dbraw/zinc/43/34/42/346433442.db2.gz BGNWIWCHRKUSKI-MRVPVSSYSA-N 1 0 298.730 2.061 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916458 346433822 /nfs/dbraw/zinc/43/38/22/346433822.db2.gz ZFYXUZVCLTUZCL-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598916615 346433896 /nfs/dbraw/zinc/43/38/96/346433896.db2.gz GNWRMTQHVCSOKY-MRVPVSSYSA-N 1 0 298.730 2.074 20 5 CEBDRO C/C=C\C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599078047 346456456 /nfs/dbraw/zinc/45/64/56/346456456.db2.gz DBHOJZCSLBXGHJ-DQOJRVPBSA-N 1 0 264.329 2.441 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC2COC2)cccc1[N+](=O)[O-] ZINC000599080783 346457091 /nfs/dbraw/zinc/45/70/91/346457091.db2.gz KEYRXCBTBVOBHD-SNVBAGLBSA-N 1 0 250.298 2.200 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599082869 346457210 /nfs/dbraw/zinc/45/72/10/346457210.db2.gz VGSWACKJDLVLII-JBLDHEPKSA-N 1 0 280.324 2.025 20 5 CEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000602600058 347094499 /nfs/dbraw/zinc/09/44/99/347094499.db2.gz GZJWQQRTUSGWFM-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602594034 347092338 /nfs/dbraw/zinc/09/23/38/347092338.db2.gz OGCMAYMBLHWOQC-UHFFFAOYSA-N 1 0 290.367 2.491 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000063191412 362755773 /nfs/dbraw/zinc/75/57/73/362755773.db2.gz YBLUIVUYPWCVCI-WCQYABFASA-N 1 0 263.341 2.297 20 5 CEBDRO C[NH2+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1 ZINC000600823564 346697529 /nfs/dbraw/zinc/69/75/29/346697529.db2.gz GRUOJHYUVHCBEF-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601139759 346766250 /nfs/dbraw/zinc/76/62/50/346766250.db2.gz JFJMSHDXOSPNQD-GFCCVEGCSA-N 1 0 282.340 2.244 20 5 CEBDRO CN1CC[NH+](CCCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601104378 346753141 /nfs/dbraw/zinc/75/31/41/346753141.db2.gz UUFFDIXZPSGTCH-UHFFFAOYSA-N 1 0 298.412 2.096 20 5 CEBDRO C[C@H](O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602638305 347117833 /nfs/dbraw/zinc/11/78/33/347117833.db2.gz PNIXQLURBRCALU-QMMMGPOBSA-N 1 0 292.257 2.474 20 5 CEBDRO Cn1cc(C[N@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])n1 ZINC000602720325 347169946 /nfs/dbraw/zinc/16/99/46/347169946.db2.gz BSATUGDZSMVXNG-UHFFFAOYSA-N 1 0 278.356 2.340 20 5 CEBDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667126 347132023 /nfs/dbraw/zinc/13/20/23/347132023.db2.gz NTKUDPPGPWINCH-CZUORRHYSA-N 1 0 291.395 2.409 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000602801666 347205175 /nfs/dbraw/zinc/20/51/75/347205175.db2.gz YUQDCZKPZYXBDN-LLVKDONJSA-N 1 0 289.339 2.188 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1cnccn1 ZINC000602821908 347213650 /nfs/dbraw/zinc/21/36/50/347213650.db2.gz CBYUVKGGTFPCBO-UHFFFAOYSA-N 1 0 286.335 2.102 20 5 CEBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205481 347309128 /nfs/dbraw/zinc/30/91/28/347309128.db2.gz CUDHCDRQOQJZNX-NSHDSACASA-N 1 0 295.368 2.342 20 5 CEBDRO C[NH2+][C@@H](C)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220314 347312391 /nfs/dbraw/zinc/31/23/91/347312391.db2.gz SRCZIOMBZYUQIL-UWVGGRQHSA-N 1 0 275.312 2.076 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220313 347312474 /nfs/dbraw/zinc/31/24/74/347312474.db2.gz SRCZIOMBZYUQIL-NXEZZACHSA-N 1 0 275.312 2.076 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431130 347368617 /nfs/dbraw/zinc/36/86/17/347368617.db2.gz FCNGOOADPIOJEB-VXGBXAGGSA-N 1 0 283.759 2.464 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000608782020 347615836 /nfs/dbraw/zinc/61/58/36/347615836.db2.gz GYWIOCXJWKVQMA-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000609964872 347656155 /nfs/dbraw/zinc/65/61/55/347656155.db2.gz GBOOXDPPTBZPJW-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000336838598 365910747 /nfs/dbraw/zinc/91/07/47/365910747.db2.gz NHKSQBKNVQHLIE-PWSUYJOCSA-N 1 0 281.331 2.306 20 5 CEBDRO CC(C)([NH2+]Cc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000610575211 347692579 /nfs/dbraw/zinc/69/25/79/347692579.db2.gz NWGIYTMVHRVZKL-UHFFFAOYSA-N 1 0 260.297 2.343 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610585881 347694399 /nfs/dbraw/zinc/69/43/99/347694399.db2.gz SXSVYHHTPXVDOK-UHFFFAOYSA-N 1 0 279.296 2.251 20 5 CEBDRO COC[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000610604901 347695272 /nfs/dbraw/zinc/69/52/72/347695272.db2.gz DQHVLOZBHIQBFU-JTQLQIEISA-N 1 0 256.327 2.267 20 5 CEBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762499 347711957 /nfs/dbraw/zinc/71/19/57/347711957.db2.gz QGGLPLHEKMLZMA-FZMZJTMJSA-N 1 0 289.335 2.408 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337474 347767439 /nfs/dbraw/zinc/76/74/39/347767439.db2.gz MSJGISWCQMLZDW-ZWNOBZJWSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000611407615 347774602 /nfs/dbraw/zinc/77/46/02/347774602.db2.gz VOPJUHOMAPAUAM-NSHDSACASA-N 1 0 287.319 2.144 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611091804 347739157 /nfs/dbraw/zinc/73/91/57/347739157.db2.gz RQFJPXDYPGRRKR-LBPRGKRZSA-N 1 0 293.367 2.129 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C1CC1 ZINC000611206785 347750957 /nfs/dbraw/zinc/75/09/57/347750957.db2.gz IFYHIGCSDROMCR-HZMBPMFUSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254428 347759418 /nfs/dbraw/zinc/75/94/18/347759418.db2.gz OBHOWZCHQOCTNQ-UHFFFAOYSA-N 1 0 278.308 2.350 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CC2)c(Cl)c1 ZINC000612187534 347854842 /nfs/dbraw/zinc/85/48/42/347854842.db2.gz SRFUSPJSTNKXAD-NSHDSACASA-N 1 0 284.743 2.499 20 5 CEBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013116 179379589 /nfs/dbraw/zinc/37/95/89/179379589.db2.gz WYNKBTBDGOSZEX-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000615085034 348278929 /nfs/dbraw/zinc/27/89/29/348278929.db2.gz SZVOFRDPSVWSNN-HNNXBMFYSA-N 1 0 294.351 2.126 20 5 CEBDRO CC[C@H]([NH2+]CC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000128888900 187396961 /nfs/dbraw/zinc/39/69/61/187396961.db2.gz GKSBQBWZUUTDBN-AWEZNQCLSA-N 1 0 294.351 2.177 20 5 CEBDRO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273458480 192159395 /nfs/dbraw/zinc/15/93/95/192159395.db2.gz MLTJGBKXEWHCTJ-UHFFFAOYSA-N 1 0 298.318 2.197 20 5 CEBDRO C[C@@H](C(=O)NCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617728987 348775074 /nfs/dbraw/zinc/77/50/74/348775074.db2.gz DHRJCUHIRNYSAW-GFCCVEGCSA-N 1 0 293.367 2.156 20 5 CEBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])s1 ZINC000619574051 349201732 /nfs/dbraw/zinc/20/17/32/349201732.db2.gz MADUGBUDRKLHIG-UHFFFAOYSA-N 1 0 295.364 2.015 20 5 CEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000411048281 233214172 /nfs/dbraw/zinc/21/41/72/233214172.db2.gz OJESYYQVOITWOS-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO CC[N@H+](CCCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271220517 191010518 /nfs/dbraw/zinc/01/05/18/191010518.db2.gz YYJSYDRSRXKNLO-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691980 180024888 /nfs/dbraw/zinc/02/48/88/180024888.db2.gz BRQJWQUTRJSBHW-LLVKDONJSA-N 1 0 264.329 2.194 20 5 CEBDRO C[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000090720467 180030871 /nfs/dbraw/zinc/03/08/71/180030871.db2.gz XUFGGAHQBXCYFY-KOLCDFICSA-N 1 0 269.370 2.229 20 5 CEBDRO COCCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091102029 180098362 /nfs/dbraw/zinc/09/83/62/180098362.db2.gz VZTFFVIHMQLFOC-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO CC[N@H+](C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000091461612 180161782 /nfs/dbraw/zinc/16/17/82/180161782.db2.gz TWTOGNUPGBNDMN-UHFFFAOYSA-N 1 0 271.292 2.106 20 5 CEBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC(O)C1 ZINC000091463410 180162351 /nfs/dbraw/zinc/16/23/51/180162351.db2.gz VXMMALUAVZZVRR-UHFFFAOYSA-N 1 0 284.743 2.451 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CC ZINC000091558041 180190723 /nfs/dbraw/zinc/19/07/23/180190723.db2.gz DIGBHRPBFGAYRB-LLVKDONJSA-N 1 0 281.360 2.016 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000091556644 180190740 /nfs/dbraw/zinc/19/07/40/180190740.db2.gz GZZMDPVTROHUCG-NSHDSACASA-N 1 0 295.387 2.406 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000271328980 191076490 /nfs/dbraw/zinc/07/64/90/191076490.db2.gz PXVQGWSMHPZRNV-CYBMUJFWSA-N 1 0 279.340 2.036 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000412100330 233339193 /nfs/dbraw/zinc/33/91/93/233339193.db2.gz XMYUBJCMBGRIGL-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101313 233339256 /nfs/dbraw/zinc/33/92/56/233339256.db2.gz YQNUUWZCTSSGJB-CMPLNLGQSA-N 1 0 282.315 2.327 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271347388 191086727 /nfs/dbraw/zinc/08/67/27/191086727.db2.gz NWRLRNMBCBPMSD-UHFFFAOYSA-N 1 0 286.335 2.102 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339710142 215309502 /nfs/dbraw/zinc/30/95/02/215309502.db2.gz FZGNHHPEGIDVFP-WDEREUQCSA-N 1 0 278.356 2.339 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000092026792 180308515 /nfs/dbraw/zinc/30/85/15/180308515.db2.gz NDMDPWJPEWGFSU-LLVKDONJSA-N 1 0 276.340 2.194 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(OC)C1 ZINC000352202676 219360527 /nfs/dbraw/zinc/36/05/27/219360527.db2.gz LOCJSKNXJKIOAI-UHFFFAOYSA-N 1 0 280.324 2.213 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000106469753 186119993 /nfs/dbraw/zinc/11/99/93/186119993.db2.gz QEKSWYLNXLDROD-NSHDSACASA-N 1 0 293.367 2.176 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000111158493 186363105 /nfs/dbraw/zinc/36/31/05/186363105.db2.gz CZCVJKWBGVOHSG-VXGBXAGGSA-N 1 0 281.381 2.373 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CC[NH3+] ZINC000070149972 363038841 /nfs/dbraw/zinc/03/88/41/363038841.db2.gz LSCYOLXIASAOLM-ZDUSSCGKSA-N 1 0 293.367 2.307 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000070252120 363061043 /nfs/dbraw/zinc/06/10/43/363061043.db2.gz YGXKKGDFTYAHOI-GFCCVEGCSA-N 1 0 289.335 2.231 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000070445255 363082727 /nfs/dbraw/zinc/08/27/27/363082727.db2.gz NYUHAAUMBXSYAN-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000070496162 363091581 /nfs/dbraw/zinc/09/15/81/363091581.db2.gz CVRNSOLKPBYXGC-VXGBXAGGSA-N 1 0 276.340 2.337 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318792 187026261 /nfs/dbraw/zinc/02/62/61/187026261.db2.gz VIRKPLISKMVXNQ-DGCLKSJQSA-N 1 0 275.352 2.310 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+](C)C ZINC000291875699 198092646 /nfs/dbraw/zinc/09/26/46/198092646.db2.gz OADGOLWYWCMNAT-SNVBAGLBSA-N 1 0 279.340 2.407 20 5 CEBDRO Cc1nc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124121929 187123187 /nfs/dbraw/zinc/12/31/87/187123187.db2.gz HUHICJRJOXKRHR-NSHDSACASA-N 1 0 264.329 2.100 20 5 CEBDRO COc1cc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000291900701 198100070 /nfs/dbraw/zinc/10/00/70/198100070.db2.gz PWMOXYSCGWWAJA-JTQLQIEISA-N 1 0 297.355 2.222 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000132145188 187611466 /nfs/dbraw/zinc/61/14/66/187611466.db2.gz CXPRLYSSZRKQTH-WCQYABFASA-N 1 0 264.325 2.152 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000072858094 363171321 /nfs/dbraw/zinc/17/13/21/363171321.db2.gz VRAQVXYPDYMLQT-CYBMUJFWSA-N 1 0 277.368 2.368 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494281091 290966785 /nfs/dbraw/zinc/96/67/85/290966785.db2.gz BKYUHJCXCOZOEX-RISCZKNCSA-N 1 0 280.324 2.131 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000155337264 188199917 /nfs/dbraw/zinc/19/99/17/188199917.db2.gz LNTRHPBKJVEQBH-YPMHNXCESA-N 1 0 291.351 2.053 20 5 CEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000155556909 188213852 /nfs/dbraw/zinc/21/38/52/188213852.db2.gz QAEKURRIHCGHSW-FZMZJTMJSA-N 1 0 291.351 2.053 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132021961 366110466 /nfs/dbraw/zinc/11/04/66/366110466.db2.gz MTOGWPZDQAWYSC-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000293045557 198507224 /nfs/dbraw/zinc/50/72/24/198507224.db2.gz RDDRXAZFEYISLS-LBPRGKRZSA-N 1 0 252.314 2.234 20 5 CEBDRO C[NH+](C)CCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000074165182 363302541 /nfs/dbraw/zinc/30/25/41/363302541.db2.gz WUSIWWAQVSUMPG-UHFFFAOYSA-N 1 0 265.313 2.265 20 5 CEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000132718058 366166664 /nfs/dbraw/zinc/16/66/64/366166664.db2.gz VJFPGEWDXHNPCP-DTORHVGOSA-N 1 0 297.742 2.071 20 5 CEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000271743016 191301303 /nfs/dbraw/zinc/30/13/03/191301303.db2.gz AHFKEXPMNBLGSM-UHFFFAOYSA-N 1 0 265.288 2.408 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000133415828 366222193 /nfs/dbraw/zinc/22/21/93/366222193.db2.gz CZPJWZHXBKNION-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000451625162 283055827 /nfs/dbraw/zinc/05/58/27/283055827.db2.gz UKPKDSAVVGOJQB-DGCLKSJQSA-N 1 0 280.324 2.131 20 5 CEBDRO Cc1ccc(NCCC[NH2+][C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000578232245 314459995 /nfs/dbraw/zinc/45/99/95/314459995.db2.gz MUOILUNNNQAGRR-VXGBXAGGSA-N 1 0 281.356 2.064 20 5 CEBDRO CCOc1cccc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000134917789 366372594 /nfs/dbraw/zinc/37/25/94/366372594.db2.gz LDFZSWJBJYQITF-UHFFFAOYSA-N 1 0 279.340 2.500 20 5 CEBDRO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527694 299263081 /nfs/dbraw/zinc/26/30/81/299263081.db2.gz QZGXLPWESFQWMK-SMDDNHRTSA-N 1 0 277.368 2.369 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000414664023 236437472 /nfs/dbraw/zinc/43/74/72/236437472.db2.gz SRJDMZMMNPNWKB-WDEREUQCSA-N 1 0 292.339 2.234 20 5 CEBDRO CCC[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000294913271 199244493 /nfs/dbraw/zinc/24/44/93/199244493.db2.gz BRRVERAZXVBGGR-CYBMUJFWSA-N 1 0 266.341 2.230 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C1 ZINC000294922207 199251540 /nfs/dbraw/zinc/25/15/40/199251540.db2.gz TWJVGJLWFWUMOL-WCFLWFBJSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415509737 236677912 /nfs/dbraw/zinc/67/79/12/236677912.db2.gz XCBNKWBILDHTSV-WDEREUQCSA-N 1 0 292.339 2.165 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000578412449 366488924 /nfs/dbraw/zinc/48/89/24/366488924.db2.gz CNQXVJUCBIIFNS-BZNIZROVSA-N 1 0 298.346 2.283 20 5 CEBDRO CCN(CCC[NH+](C)C)c1cc(OC)ccc1[N+](=O)[O-] ZINC000338706006 366481508 /nfs/dbraw/zinc/48/15/08/366481508.db2.gz QRIRRONCSQJNKL-UHFFFAOYSA-N 1 0 281.356 2.381 20 5 CEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890139 366528836 /nfs/dbraw/zinc/52/88/36/366528836.db2.gz VEEJPWXJLXZWLH-ABAIWWIYSA-N 1 0 287.319 2.374 20 5 CEBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000352820180 219662484 /nfs/dbraw/zinc/66/24/84/219662484.db2.gz YQWAHNTXCUKFNG-MFKMUULPSA-N 1 0 282.365 2.315 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417352618 237091464 /nfs/dbraw/zinc/09/14/64/237091464.db2.gz GOASHHQRIZUNAU-QKCSRTOESA-N 1 0 264.325 2.467 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417356375 237094667 /nfs/dbraw/zinc/09/46/67/237094667.db2.gz PLKZYKHRPSASPV-XHVZSJERSA-N 1 0 250.298 2.159 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000149572895 366590745 /nfs/dbraw/zinc/59/07/45/366590745.db2.gz GQGJQDMUQMBRDS-ZYHUDNBSSA-N 1 0 250.298 2.170 20 5 CEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151791307 366666737 /nfs/dbraw/zinc/66/67/37/366666737.db2.gz OYJCCSPCZNMBRU-UHFFFAOYSA-N 1 0 285.369 2.069 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)C(C)C ZINC000151938816 366677965 /nfs/dbraw/zinc/67/79/65/366677965.db2.gz UNPWPVAXPZUJLY-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000299035421 200587903 /nfs/dbraw/zinc/58/79/03/200587903.db2.gz BBEVAZGQWAGGSE-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089820 216215439 /nfs/dbraw/zinc/21/54/39/216215439.db2.gz BMGDTWAXPKMNHR-UHIISALHSA-N 1 0 293.342 2.293 20 5 CEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000299549321 200773002 /nfs/dbraw/zinc/77/30/02/200773002.db2.gz BZRRDGNHSPYAEF-LBPRGKRZSA-N 1 0 278.356 2.380 20 5 CEBDRO CC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000179873365 189225070 /nfs/dbraw/zinc/22/50/70/189225070.db2.gz AYXVXGJEVWJFFX-HNNXBMFYSA-N 1 0 291.351 2.085 20 5 CEBDRO Cc1ccc(NC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000454147746 283640153 /nfs/dbraw/zinc/64/01/53/283640153.db2.gz OCUMCJNUFCSITB-UHFFFAOYSA-N 1 0 294.355 2.365 20 5 CEBDRO Cc1cnc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301466655 201018866 /nfs/dbraw/zinc/01/88/66/201018866.db2.gz XSVPXWBHCLYZKK-GFCCVEGCSA-N 1 0 264.329 2.050 20 5 CEBDRO CC[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000029912086 361693284 /nfs/dbraw/zinc/69/32/84/361693284.db2.gz GLZWRMPMBOLBKG-UHFFFAOYSA-N 1 0 263.297 2.018 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090181198 364046495 /nfs/dbraw/zinc/04/64/95/364046495.db2.gz DQDSOIRQQOLBBI-ZYHUDNBSSA-N 1 0 289.335 2.009 20 5 CEBDRO COC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774895 364295146 /nfs/dbraw/zinc/29/51/46/364295146.db2.gz TYLPBCOBWHPHAV-NSHDSACASA-N 1 0 268.288 2.202 20 5 CEBDRO COc1cc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000104246544 364687997 /nfs/dbraw/zinc/68/79/97/364687997.db2.gz XULVVNNUSVFABH-UHFFFAOYSA-N 1 0 265.313 2.110 20 5 CEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000115439518 365005095 /nfs/dbraw/zinc/00/50/95/365005095.db2.gz YRHXRAAHARYOOO-SNVBAGLBSA-N 1 0 297.380 2.070 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119990703 365357636 /nfs/dbraw/zinc/35/76/36/365357636.db2.gz LAQXYMCNHYXQBQ-GFCCVEGCSA-N 1 0 282.365 2.411 20 5 CEBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275825477 193138331 /nfs/dbraw/zinc/13/83/31/193138331.db2.gz FRRPSUNEBVVTFH-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2CCc1ccc([N+](=O)[O-])cc1 ZINC000582677946 366944348 /nfs/dbraw/zinc/94/43/48/366944348.db2.gz XWPOJYMFACGCBL-UHFFFAOYSA-N 1 0 289.379 2.341 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159627296 366934524 /nfs/dbraw/zinc/93/45/24/366934524.db2.gz IIBHILGGTNGULJ-FZMZJTMJSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000161865898 367117292 /nfs/dbraw/zinc/11/72/92/367117292.db2.gz IBVMLGCLXKSCTI-LLVKDONJSA-N 1 0 279.340 2.114 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])c(CC)nn1C ZINC000341136576 367190393 /nfs/dbraw/zinc/19/03/93/367190393.db2.gz IDZBRXBNNMCPMH-LLVKDONJSA-N 1 0 297.403 2.423 20 5 CEBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000341204049 367219063 /nfs/dbraw/zinc/21/90/63/367219063.db2.gz OZDGQHZCVBYSMF-CMPLNLGQSA-N 1 0 292.339 2.199 20 5 CEBDRO C[C@@H](O)CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167349569 367338449 /nfs/dbraw/zinc/33/84/49/367338449.db2.gz HQNHARDNQBJKSC-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171686987 367593220 /nfs/dbraw/zinc/59/32/20/367593220.db2.gz ODSYGTYHFTXENE-LLVKDONJSA-N 1 0 282.365 2.411 20 5 CEBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000343247281 367723823 /nfs/dbraw/zinc/72/38/23/367723823.db2.gz GUDXDCYZBNWCFB-UHFFFAOYSA-N 1 0 278.356 2.302 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009148 370868368 /nfs/dbraw/zinc/86/83/68/370868368.db2.gz CCCMGOBMTSEDBQ-MJVIPROJSA-N 1 0 263.341 2.196 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172977823 367852757 /nfs/dbraw/zinc/85/27/57/367852757.db2.gz FNFLUCAHHYYSFJ-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173054766 367865156 /nfs/dbraw/zinc/86/51/56/367865156.db2.gz XXFCOZWEJFTOHT-LLVKDONJSA-N 1 0 293.367 2.301 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343452730 367824527 /nfs/dbraw/zinc/82/45/27/367824527.db2.gz ORRGJICCQFNDQY-DGCLKSJQSA-N 1 0 291.351 2.116 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343471239 367833161 /nfs/dbraw/zinc/83/31/61/367833161.db2.gz WAJNJTSGTPDTLH-YPMHNXCESA-N 1 0 291.351 2.116 20 5 CEBDRO COCCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173444901 367910887 /nfs/dbraw/zinc/91/08/87/367910887.db2.gz WWOQNCARLFFCEU-CYBMUJFWSA-N 1 0 295.383 2.214 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000353283044 220006797 /nfs/dbraw/zinc/00/67/97/220006797.db2.gz OMCUKZGEBAFOSI-ZDUSSCGKSA-N 1 0 291.351 2.084 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000343904896 368067374 /nfs/dbraw/zinc/06/73/74/368067374.db2.gz AFOKDYOIHHVCKU-GFCCVEGCSA-N 1 0 278.356 2.006 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000174863805 368074140 /nfs/dbraw/zinc/07/41/40/368074140.db2.gz GXSPNNQSAJVEPX-LLVKDONJSA-N 1 0 254.334 2.158 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000343973294 368097946 /nfs/dbraw/zinc/09/79/46/368097946.db2.gz QGXRIEHZLLPHCZ-GFCCVEGCSA-N 1 0 278.356 2.006 20 5 CEBDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000175770334 368175775 /nfs/dbraw/zinc/17/57/75/368175775.db2.gz XBFVXAIHLYCVQG-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO C[C@H](c1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176195908 368210288 /nfs/dbraw/zinc/21/02/88/368210288.db2.gz HLPJYICVQCHKRF-GFCCVEGCSA-N 1 0 274.324 2.484 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)cc1 ZINC000178263266 368294484 /nfs/dbraw/zinc/29/44/84/368294484.db2.gz ZTTZWIYAVNVYOR-UHFFFAOYSA-N 1 0 267.304 2.076 20 5 CEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181349567 368447655 /nfs/dbraw/zinc/44/76/55/368447655.db2.gz AZNHJZVPCLXKLI-GFCCVEGCSA-N 1 0 287.319 2.107 20 5 CEBDRO COC(=O)C(C)(C)N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000346004301 368514839 /nfs/dbraw/zinc/51/48/39/368514839.db2.gz CAFXWRWJZXQGKD-UHFFFAOYSA-N 1 0 280.324 2.287 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000330615657 203040805 /nfs/dbraw/zinc/04/08/05/203040805.db2.gz UWXIWJNYMVFZTP-UHFFFAOYSA-N 1 0 278.352 2.496 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000347138821 368799954 /nfs/dbraw/zinc/79/99/54/368799954.db2.gz VBPZFGQNTZSVAL-QTLSWZBMSA-N 1 0 287.363 2.434 20 5 CEBDRO Cc1c(C[NH+]2CCC(C)(CO)CC2)cccc1[N+](=O)[O-] ZINC000186972332 369078492 /nfs/dbraw/zinc/07/84/92/369078492.db2.gz BLSJWYLTFXZWRL-UHFFFAOYSA-N 1 0 278.352 2.498 20 5 CEBDRO [NH3+]CCN(Cc1cncc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348921824 369200840 /nfs/dbraw/zinc/20/08/40/369200840.db2.gz OWABWPVAGDDEFU-UHFFFAOYSA-N 1 0 290.298 2.094 20 5 CEBDRO Cc1ncccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348934765 369203475 /nfs/dbraw/zinc/20/34/75/369203475.db2.gz NOWQJUHRZXKOLQ-UHFFFAOYSA-N 1 0 286.335 2.264 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)CO ZINC000349274514 369286916 /nfs/dbraw/zinc/28/69/16/369286916.db2.gz GADPSYBCQKZTIL-SEVUFMINSA-N 1 0 264.325 2.311 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188799869 369411200 /nfs/dbraw/zinc/41/12/00/369411200.db2.gz KDMSBUDDTGJCMQ-QDFGCFFBSA-N 1 0 276.336 2.359 20 5 CEBDRO CCCN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000189207442 369475045 /nfs/dbraw/zinc/47/50/45/369475045.db2.gz DQNLKCSCZYNPFX-UHFFFAOYSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897384 203365131 /nfs/dbraw/zinc/36/51/31/203365131.db2.gz HMDBPGPLQRMIMN-TXEJJXNPSA-N 1 0 291.351 2.084 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000330897526 203366058 /nfs/dbraw/zinc/36/60/58/203366058.db2.gz MCKWSWXYUIAGBB-UHFFFAOYSA-N 1 0 291.351 2.071 20 5 CEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000276195665 193240047 /nfs/dbraw/zinc/24/00/47/193240047.db2.gz JGPXIJYZIPTKFX-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC(O)C1 ZINC000190138123 369597598 /nfs/dbraw/zinc/59/75/98/369597598.db2.gz IZLABVSGZHLTKR-CDWSIMAYSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1ccc(CCNc2ncc([N+](=O)[O-])s2)cn1 ZINC000190328307 369614184 /nfs/dbraw/zinc/61/41/84/369614184.db2.gz DYJDXMDHHHPUPW-UHFFFAOYSA-N 1 0 264.310 2.409 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190331772 369614202 /nfs/dbraw/zinc/61/42/02/369614202.db2.gz GMAMQPYOQUGNKN-SNVBAGLBSA-N 1 0 284.385 2.219 20 5 CEBDRO C[C@H](CO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192724341 369846311 /nfs/dbraw/zinc/84/63/11/369846311.db2.gz ZQWWANXWVHSXJG-IINYFYTJSA-N 1 0 264.325 2.190 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000193620264 369963545 /nfs/dbraw/zinc/96/35/45/369963545.db2.gz GKLHEHNWVDRZLF-GWCFXTLKSA-N 1 0 291.351 2.028 20 5 CEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCCO)c1 ZINC000193257525 369913381 /nfs/dbraw/zinc/91/33/81/369913381.db2.gz CODVNSDUPMMIMR-UHFFFAOYSA-N 1 0 290.266 2.058 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1cn[nH]c1 ZINC000353224526 370081893 /nfs/dbraw/zinc/08/18/93/370081893.db2.gz KECXSIMTZZMBMW-HYXAFXHYSA-N 1 0 272.308 2.163 20 5 CEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354079010 370207351 /nfs/dbraw/zinc/20/73/51/370207351.db2.gz BHSUYPROVSZDTM-GFCCVEGCSA-N 1 0 279.315 2.407 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000227072290 370356641 /nfs/dbraw/zinc/35/66/41/370356641.db2.gz WYEUGNKQPSCCLN-IACUBPJLSA-N 1 0 276.336 2.498 20 5 CEBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000354428445 370358252 /nfs/dbraw/zinc/35/82/52/370358252.db2.gz LKBRJUIJLQUBDQ-VFFGBVLKSA-N 1 0 264.325 2.311 20 5 CEBDRO CCNC(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000277161668 193571530 /nfs/dbraw/zinc/57/15/30/193571530.db2.gz GZTRCCRDSCRJHP-UHFFFAOYSA-N 1 0 297.380 2.052 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230221996 370446518 /nfs/dbraw/zinc/44/65/18/370446518.db2.gz INFFVOMYJNYRMR-ZDUSSCGKSA-N 1 0 252.314 2.236 20 5 CEBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230377261 370458845 /nfs/dbraw/zinc/45/88/45/370458845.db2.gz XGBQILGWXYMBRI-CQSZACIVSA-N 1 0 264.325 2.332 20 5 CEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000232977067 370515601 /nfs/dbraw/zinc/51/56/01/370515601.db2.gz YGJWJHLZVFYBSO-JTQLQIEISA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231486738 370481048 /nfs/dbraw/zinc/48/10/48/370481048.db2.gz UIUUYUZVYGVSOD-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000231883613 370497351 /nfs/dbraw/zinc/49/73/51/370497351.db2.gz GQNYPTLYKUVWSQ-UHFFFAOYSA-N 1 0 291.351 2.004 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000234889101 370547480 /nfs/dbraw/zinc/54/74/80/370547480.db2.gz SRHOKAXQALZXMY-ZFWWWQNUSA-N 1 0 292.335 2.261 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236599312 370595332 /nfs/dbraw/zinc/59/53/32/370595332.db2.gz HYLJXTSBEQBHCQ-SECBINFHSA-N 1 0 285.369 2.068 20 5 CEBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550073 370596522 /nfs/dbraw/zinc/59/65/22/370596522.db2.gz FQXKWKLJUYTCAE-QWRGUYRKSA-N 1 0 266.345 2.339 20 5 CEBDRO CC(C)(C)CC[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236610564 370596783 /nfs/dbraw/zinc/59/67/83/370596783.db2.gz NZWXDIOYJDAXJG-KGLIPLIRSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000235441817 370566266 /nfs/dbraw/zinc/56/62/66/370566266.db2.gz BZUCERVLTXVKDE-SMDDNHRTSA-N 1 0 280.324 2.131 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000235695994 370574761 /nfs/dbraw/zinc/57/47/61/370574761.db2.gz ZJSKZSVCSDRJNB-GVXVVHGQSA-N 1 0 291.351 2.160 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236051612 370582849 /nfs/dbraw/zinc/58/28/49/370582849.db2.gz VLIIMGYJDKMKTN-SECBINFHSA-N 1 0 284.747 2.445 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236788880 370627572 /nfs/dbraw/zinc/62/75/72/370627572.db2.gz DACPXDHNCGXURV-UHFFFAOYSA-N 1 0 299.758 2.496 20 5 CEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247742642 371139983 /nfs/dbraw/zinc/13/99/83/371139983.db2.gz XFCOGUVPXSTYAB-WCQYABFASA-N 1 0 291.351 2.114 20 5 CEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247385214 371101500 /nfs/dbraw/zinc/10/15/00/371101500.db2.gz QAEKURRIHCGHSW-SMDDNHRTSA-N 1 0 291.351 2.053 20 5 CEBDRO Cc1nc2cc(Cn3cc([N+](=O)[O-])c(C)cc3=O)ccc2[nH]1 ZINC000358854566 371248866 /nfs/dbraw/zinc/24/88/66/371248866.db2.gz PCPHTTTWGLOCKJ-UHFFFAOYSA-N 1 0 298.302 2.298 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000248984734 371279012 /nfs/dbraw/zinc/27/90/12/371279012.db2.gz DXCUYGHABZAGOA-GNXNZQSNSA-N 1 0 264.325 2.329 20 5 CEBDRO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249521680 371330549 /nfs/dbraw/zinc/33/05/49/371330549.db2.gz NPQZZQFGHRRDRX-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000359040861 371313617 /nfs/dbraw/zinc/31/36/17/371313617.db2.gz INXIIPOLKSUCEJ-CQSZACIVSA-N 1 0 263.341 2.169 20 5 CEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000359219997 371381768 /nfs/dbraw/zinc/38/17/68/371381768.db2.gz IBMLDNHGNBLLEV-LBPRGKRZSA-N 1 0 291.351 2.117 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH+](C)C)C1 ZINC000360949232 371555850 /nfs/dbraw/zinc/55/58/50/371555850.db2.gz HOHNMPPKRYJGGO-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO COc1ccc(CN2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261601009 371673347 /nfs/dbraw/zinc/67/33/47/371673347.db2.gz ZUNFEAZGZNAYSS-YPMHNXCESA-N 1 0 293.367 2.163 20 5 CEBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000261564609 371650714 /nfs/dbraw/zinc/65/07/14/371650714.db2.gz DEOWVGORPWJGTO-RISCZKNCSA-N 1 0 263.341 2.154 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC=CCC1 ZINC000344072986 217038561 /nfs/dbraw/zinc/03/85/61/217038561.db2.gz SPRBBQULEHEBTN-CYBMUJFWSA-N 1 0 291.351 2.045 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361416510 371837053 /nfs/dbraw/zinc/83/70/53/371837053.db2.gz SQHIBRRYDORIND-AWEZNQCLSA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000344146344 217073335 /nfs/dbraw/zinc/07/33/35/217073335.db2.gz PTOYFSCYAOJJSW-WCQYABFASA-N 1 0 264.325 2.188 20 5 CEBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000266311486 372042425 /nfs/dbraw/zinc/04/24/25/372042425.db2.gz DLJYDVKZVZLPDW-LBPRGKRZSA-N 1 0 279.340 2.134 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908289 372282625 /nfs/dbraw/zinc/28/26/25/372282625.db2.gz HGIURCQFZPRIKJ-SMDDNHRTSA-N 1 0 296.392 2.422 20 5 CEBDRO COc1cc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000269346953 372425134 /nfs/dbraw/zinc/42/51/34/372425134.db2.gz INQVUJOXEXUDRT-UHFFFAOYSA-N 1 0 283.303 2.249 20 5 CEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000269621879 372509458 /nfs/dbraw/zinc/50/94/58/372509458.db2.gz BDOUUKOJQLARCM-MJVIPROJSA-N 1 0 296.392 2.454 20 5 CEBDRO CCC[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269630372 372511015 /nfs/dbraw/zinc/51/10/15/372511015.db2.gz FHBFQUKBUYARGW-CYBMUJFWSA-N 1 0 252.314 2.360 20 5 CEBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775643 372562081 /nfs/dbraw/zinc/56/20/81/372562081.db2.gz DIPIRQVDAOQHRM-JSGCOSHPSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000269772577 372562775 /nfs/dbraw/zinc/56/27/75/372562775.db2.gz BUXYFWJEBBYTCU-CHWSQXEVSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513982 220129605 /nfs/dbraw/zinc/12/96/05/220129605.db2.gz SVQNJZSASNGIKU-GXFFZTMASA-N 1 0 264.325 2.264 20 5 CEBDRO COC[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000344798162 217313905 /nfs/dbraw/zinc/31/39/05/217313905.db2.gz RIOWJNAEQKEPPG-WASHYIJTSA-N 1 0 294.351 2.249 20 5 CEBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271038735 373084408 /nfs/dbraw/zinc/08/44/08/373084408.db2.gz MJUKYGDPFJMURI-UHFFFAOYSA-N 1 0 277.368 2.163 20 5 CEBDRO C[N@@H+](Cc1cccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271047433 373090538 /nfs/dbraw/zinc/09/05/38/373090538.db2.gz WBKIFRSNDVZRBD-OAHLLOKOSA-N 1 0 287.319 2.155 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271163740 373152937 /nfs/dbraw/zinc/15/29/37/373152937.db2.gz FCSDEANEZFOJPX-LBPRGKRZSA-N 1 0 250.298 2.124 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC(C)C ZINC000344864275 217338226 /nfs/dbraw/zinc/33/82/26/217338226.db2.gz RYTNCHUHDXEWMW-KPKJPENVSA-N 1 0 291.351 2.112 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271674281 373196633 /nfs/dbraw/zinc/19/66/33/373196633.db2.gz XSUZSUGIIZOCIK-SMDDNHRTSA-N 1 0 263.341 2.371 20 5 CEBDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000272531234 373535114 /nfs/dbraw/zinc/53/51/14/373535114.db2.gz JGBBZDAASVYROV-ZDUSSCGKSA-N 1 0 289.339 2.305 20 5 CEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000369672075 373486284 /nfs/dbraw/zinc/48/62/84/373486284.db2.gz XMBJAXPUMBHYLY-UHFFFAOYSA-N 1 0 287.323 2.023 20 5 CEBDRO C[C@@H](O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555921 373548634 /nfs/dbraw/zinc/54/86/34/373548634.db2.gz SEWZVZGVDFHKLP-HRLNJXSSSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1nc(N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272897289 373700502 /nfs/dbraw/zinc/70/05/02/373700502.db2.gz IILRTYCWSFTCNZ-JTQLQIEISA-N 1 0 276.340 2.361 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000371863973 373995075 /nfs/dbraw/zinc/99/50/75/373995075.db2.gz JSBSVNLRJZTGTN-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607258 373983325 /nfs/dbraw/zinc/98/33/25/373983325.db2.gz MXYHDTIOLSWPFU-UWVGGRQHSA-N 1 0 298.314 2.257 20 5 CEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274928025 374098142 /nfs/dbraw/zinc/09/81/42/374098142.db2.gz NNPWIYUGRODOKA-YUELXQCFSA-N 1 0 294.351 2.185 20 5 CEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275191069 374180593 /nfs/dbraw/zinc/18/05/93/374180593.db2.gz OWQYUHBUYQNQOH-SNVBAGLBSA-N 1 0 276.296 2.048 20 5 CEBDRO CCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584473 374385160 /nfs/dbraw/zinc/38/51/60/374385160.db2.gz LJHVISYVEJDGSR-NSHDSACASA-N 1 0 252.318 2.228 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000377278506 374829903 /nfs/dbraw/zinc/82/99/03/374829903.db2.gz QDSLBOPDSWZQIR-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000377769544 374947459 /nfs/dbraw/zinc/94/74/59/374947459.db2.gz ANYHYGAWDDKNMX-LBPRGKRZSA-N 1 0 286.335 2.273 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000378192887 375038362 /nfs/dbraw/zinc/03/83/62/375038362.db2.gz WFDXGQOIKLNWLF-PBINXNQUSA-N 1 0 295.364 2.141 20 5 CEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000382433987 375186420 /nfs/dbraw/zinc/18/64/20/375186420.db2.gz TZIGMQBWOLKBDU-GZMMTYOYSA-N 1 0 297.742 2.105 20 5 CEBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573532 375190827 /nfs/dbraw/zinc/19/08/27/375190827.db2.gz SZWLDYVCJYJXPP-HUUCEWRRSA-N 1 0 296.367 2.423 20 5 CEBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000386545348 375262352 /nfs/dbraw/zinc/26/23/52/375262352.db2.gz FNGXAYUNEVDAGW-AAEUAGOBSA-N 1 0 263.341 2.215 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000386813539 375266842 /nfs/dbraw/zinc/26/68/42/375266842.db2.gz SEIFNRXGDVBYEQ-UFBFGSQYSA-N 1 0 272.732 2.497 20 5 CEBDRO CC[N@H+](CCOCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000282108175 375404977 /nfs/dbraw/zinc/40/49/77/375404977.db2.gz PTLMCVZMYGSWLY-ZDUSSCGKSA-N 1 0 296.367 2.295 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000408463389 375489360 /nfs/dbraw/zinc/48/93/60/375489360.db2.gz BPRKZWYDHWNEKJ-ZWNOBZJWSA-N 1 0 294.330 2.049 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCC3)CC2)cc1F ZINC000283155153 375665979 /nfs/dbraw/zinc/66/59/79/375665979.db2.gz ORHJADQYWYUSGQ-UHFFFAOYSA-N 1 0 293.342 2.404 20 5 CEBDRO COCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000284038746 375799084 /nfs/dbraw/zinc/79/90/84/375799084.db2.gz OPXITDOSQJOSOV-UHFFFAOYSA-N 1 0 280.324 2.262 20 5 CEBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414537423 375840623 /nfs/dbraw/zinc/84/06/23/375840623.db2.gz YZCWDIAURMFAKF-KBPBESRZSA-N 1 0 266.341 2.480 20 5 CEBDRO CCCC[C@H](C[NH3+])NCc1csc([N+](=O)[O-])c1 ZINC000414818129 376004550 /nfs/dbraw/zinc/00/45/50/376004550.db2.gz UUWJOZXCWFTLGJ-SNVBAGLBSA-N 1 0 257.359 2.263 20 5 CEBDRO C[NH2+][C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261774983 190044348 /nfs/dbraw/zinc/04/43/48/190044348.db2.gz PNTGACMMBMQBEQ-MRVPVSSYSA-N 1 0 293.348 2.147 20 5 CEBDRO CC[NH+](CC)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287138168 376157676 /nfs/dbraw/zinc/15/76/76/376157676.db2.gz XGGWEOZBGKCTBJ-UHFFFAOYSA-N 1 0 295.368 2.353 20 5 CEBDRO CC(C)[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574070848 299476252 /nfs/dbraw/zinc/47/62/52/299476252.db2.gz AEBHKQPQHLIDLF-OCCSQVGLSA-N 1 0 296.367 2.216 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)O ZINC000264107918 190091278 /nfs/dbraw/zinc/09/12/78/190091278.db2.gz SLBRAZAZDULBJK-SNVBAGLBSA-N 1 0 252.314 2.359 20 5 CEBDRO COc1cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305878404 376525662 /nfs/dbraw/zinc/52/56/62/376525662.db2.gz SNHNIRLKUFSTTP-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000311394212 376666123 /nfs/dbraw/zinc/66/61/23/376666123.db2.gz BLTBEBQSLVWKFC-STQMWFEESA-N 1 0 264.325 2.236 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420256606 376666247 /nfs/dbraw/zinc/66/62/47/376666247.db2.gz VGZYDSQZWHISFN-JQWIXIFHSA-N 1 0 286.335 2.377 20 5 CEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cn1 ZINC000420268054 376679943 /nfs/dbraw/zinc/67/99/43/376679943.db2.gz DMLKNHINVWKNKG-ZDUSSCGKSA-N 1 0 287.323 2.059 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423246669 377165927 /nfs/dbraw/zinc/16/59/27/377165927.db2.gz ZRFDNONGMSMHKG-LSDHHAIUSA-N 1 0 289.379 2.258 20 5 CEBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000292822381 377298873 /nfs/dbraw/zinc/29/88/73/377298873.db2.gz XEBLIIFQGSPCNI-GFCCVEGCSA-N 1 0 293.367 2.237 20 5 CEBDRO Cc1cccc(N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293243099 377488399 /nfs/dbraw/zinc/48/83/99/377488399.db2.gz ZLDSPWQYSBOBNT-GFCCVEGCSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332073476 377509533 /nfs/dbraw/zinc/50/95/33/377509533.db2.gz DOZDYFUOLYHYMH-GFCCVEGCSA-N 1 0 288.307 2.276 20 5 CEBDRO C[N@H+](CCC1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135302366 249317751 /nfs/dbraw/zinc/31/77/51/249317751.db2.gz TXZOFVGSYKQOQG-UHFFFAOYSA-N 1 0 277.324 2.265 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186931040 249337028 /nfs/dbraw/zinc/33/70/28/249337028.db2.gz ZHRZNULIVJGQAV-SUNKGSAMSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293616357 377659634 /nfs/dbraw/zinc/65/96/34/377659634.db2.gz JKNYLKMGGVEFAV-MNOVXSKESA-N 1 0 252.314 2.325 20 5 CEBDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000293753915 377740869 /nfs/dbraw/zinc/74/08/69/377740869.db2.gz QOKNOUWWYPCMIM-LLVKDONJSA-N 1 0 289.339 2.007 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CCC[NH3+] ZINC000293743568 377736245 /nfs/dbraw/zinc/73/62/45/377736245.db2.gz VFAPTARPRFKJBO-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO C[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294056733 377889253 /nfs/dbraw/zinc/88/92/53/377889253.db2.gz JTLKNDTYCWDGGV-UHFFFAOYSA-N 1 0 292.257 2.428 20 5 CEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443508547 378057026 /nfs/dbraw/zinc/05/70/26/378057026.db2.gz ITRZCNGRPTVOHJ-NSHDSACASA-N 1 0 296.396 2.219 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295226493 378059271 /nfs/dbraw/zinc/05/92/71/378059271.db2.gz WHZPVXJESAPXCS-JTQLQIEISA-N 1 0 282.340 2.195 20 5 CEBDRO Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568454 378216557 /nfs/dbraw/zinc/21/65/57/378216557.db2.gz QZEILGWSMMIACY-MNOVXSKESA-N 1 0 293.371 2.226 20 5 CEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000450350000 378370471 /nfs/dbraw/zinc/37/04/71/378370471.db2.gz QBKHHTXTIXZTFV-AAEUAGOBSA-N 1 0 278.356 2.156 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450351952 378370859 /nfs/dbraw/zinc/37/08/59/378370859.db2.gz UUSIJDXZJWQOQU-CMPLNLGQSA-N 1 0 293.371 2.002 20 5 CEBDRO Cn1cccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000266145949 190234542 /nfs/dbraw/zinc/23/45/42/190234542.db2.gz IYGRWSZEXSFAEF-UHFFFAOYSA-N 1 0 259.309 2.266 20 5 CEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453300158 378859457 /nfs/dbraw/zinc/85/94/57/378859457.db2.gz VLVTWEXBCAAOJK-CORIIIEPSA-N 1 0 294.351 2.297 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037949 218101207 /nfs/dbraw/zinc/10/12/07/218101207.db2.gz GEMJYPIWPBPIMG-OCCSQVGLSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1c(NC(=O)N[C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000299392038 378979981 /nfs/dbraw/zinc/97/99/81/378979981.db2.gz UWSPCHLVAQVKEK-JTQLQIEISA-N 1 0 294.355 2.365 20 5 CEBDRO CC(C)c1ccc(CN(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347117356 218128520 /nfs/dbraw/zinc/12/85/20/218128520.db2.gz UKSKXHRBUDKANK-LLVKDONJSA-N 1 0 265.357 2.497 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000347363559 218205856 /nfs/dbraw/zinc/20/58/56/218205856.db2.gz RWGGDCMEXJUPAV-INDWDQIESA-N 1 0 276.336 2.455 20 5 CEBDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772391 194148983 /nfs/dbraw/zinc/14/89/83/194148983.db2.gz NFWRRRLKXSXEPB-NEPJUHHUSA-N 1 0 282.340 2.033 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCO)CC1 ZINC000518583584 379396687 /nfs/dbraw/zinc/39/66/87/379396687.db2.gz PMGKSMJAGCIDMP-UHFFFAOYSA-N 1 0 294.351 2.068 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[C@H]1O ZINC000305294331 379702417 /nfs/dbraw/zinc/70/24/17/379702417.db2.gz GBLFCDKHRGRLGU-BXUZGUMPSA-N 1 0 282.315 2.327 20 5 CEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735311 380124859 /nfs/dbraw/zinc/12/48/59/380124859.db2.gz ORKVXUPHKQGXNC-OBJOEFQTSA-N 1 0 290.367 2.156 20 5 CEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H](C)C1 ZINC000488739483 380126534 /nfs/dbraw/zinc/12/65/34/380126534.db2.gz WMVOUIBVZOXTNQ-BZPMIXESSA-N 1 0 290.367 2.156 20 5 CEBDRO Cc1cc(C(=O)N2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000549725606 380608980 /nfs/dbraw/zinc/60/89/80/380608980.db2.gz ASLRDCJNQNXMGY-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000280912520 195025894 /nfs/dbraw/zinc/02/58/94/195025894.db2.gz SFGJGGQYYKZOLN-IAQYHMDHSA-N 1 0 289.335 2.231 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266279043 285095851 /nfs/dbraw/zinc/09/58/51/285095851.db2.gz SXCOBXCLRIKLTA-GFCCVEGCSA-N 1 0 277.299 2.184 20 5 CEBDRO CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353765018 220315742 /nfs/dbraw/zinc/31/57/42/220315742.db2.gz ZPYFULZZWKLSIL-SNVBAGLBSA-N 1 0 296.323 2.035 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000575854704 299573645 /nfs/dbraw/zinc/57/36/45/299573645.db2.gz GKAFAFGVNWHQBE-CYBMUJFWSA-N 1 0 296.758 2.223 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414784094 285159383 /nfs/dbraw/zinc/15/93/83/285159383.db2.gz QTHDQRAOBVCOBB-YDBFETGOSA-N 1 0 287.363 2.292 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000152425341 285165986 /nfs/dbraw/zinc/16/59/86/285165986.db2.gz IYOYARBCZNUMRS-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000288771601 197162218 /nfs/dbraw/zinc/16/22/18/197162218.db2.gz IIJDUXOVEWSJLI-AAEUAGOBSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1cnc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281712420 195347579 /nfs/dbraw/zinc/34/75/79/195347579.db2.gz CNAQUZKUDLOIFO-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000281825219 195397988 /nfs/dbraw/zinc/39/79/88/195397988.db2.gz KKYIOYIQZURUKW-UHFFFAOYSA-N 1 0 294.311 2.399 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000189686333 130007798 /nfs/dbraw/zinc/00/77/98/130007798.db2.gz QGURFZYOAVBYBB-SECBINFHSA-N 1 0 270.358 2.195 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC000190397272 130098511 /nfs/dbraw/zinc/09/85/11/130098511.db2.gz YKRSPZDQEIIEAU-UHFFFAOYSA-N 1 0 266.345 2.158 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237471366 131033944 /nfs/dbraw/zinc/03/39/44/131033944.db2.gz KTMZWVDHIKNLLG-IAQYHMDHSA-N 1 0 291.351 2.080 20 5 CEBDRO COc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421015552 394463792 /nfs/dbraw/zinc/46/37/92/394463792.db2.gz XEIVWYWNAWDWHT-ZDUSSCGKSA-N 1 0 293.367 2.129 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413026201 394466701 /nfs/dbraw/zinc/46/67/01/394466701.db2.gz TYLVVUQSUUUMOS-UHFFFAOYSA-N 1 0 270.308 2.129 20 5 CEBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000413129835 394488280 /nfs/dbraw/zinc/48/82/80/394488280.db2.gz YEWBOUVVRCUOKA-UHFFFAOYSA-N 1 0 282.319 2.415 20 5 CEBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000355736606 394516337 /nfs/dbraw/zinc/51/63/37/394516337.db2.gz FUFLYKUNLAUDCC-UTUOFQBUSA-N 1 0 266.345 2.158 20 5 CEBDRO C[N@@H+]1CCC[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000044534316 394506724 /nfs/dbraw/zinc/50/67/24/394506724.db2.gz AIOVMDAKLKIRQQ-CYBMUJFWSA-N 1 0 263.341 2.026 20 5 CEBDRO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421703785 394570084 /nfs/dbraw/zinc/57/00/84/394570084.db2.gz NALZAOOYPXKBTL-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413325870 394527350 /nfs/dbraw/zinc/52/73/50/394527350.db2.gz UVGWHLRNPRAJNI-JTQLQIEISA-N 1 0 282.319 2.048 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821111 394654125 /nfs/dbraw/zinc/65/41/25/394654125.db2.gz RVLCIJMJOKHMLX-GFCCVEGCSA-N 1 0 250.298 2.063 20 5 CEBDRO CC1(C)C[C@H](N[C@H]2CC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000331550241 394631857 /nfs/dbraw/zinc/63/18/57/394631857.db2.gz IHYBRUJFRHKDSH-HZMBPMFUSA-N 1 0 275.352 2.269 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264404759 394639391 /nfs/dbraw/zinc/63/93/91/394639391.db2.gz KJODQDDWFVJATN-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1sc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356882313 394642137 /nfs/dbraw/zinc/64/21/37/394642137.db2.gz YFMCHDZYIIYHOW-UHFFFAOYSA-N 1 0 297.380 2.131 20 5 CEBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000270611118 394736660 /nfs/dbraw/zinc/73/66/60/394736660.db2.gz ZCZSWIHPOBPABM-UHFFFAOYSA-N 1 0 279.340 2.021 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422725971 394742120 /nfs/dbraw/zinc/74/21/20/394742120.db2.gz CWCZHXYGPTVYLJ-GFCCVEGCSA-N 1 0 291.351 2.002 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(O)C1 ZINC000267294450 394675736 /nfs/dbraw/zinc/67/57/36/394675736.db2.gz AQOWPBIAMKUSRA-ZWNOBZJWSA-N 1 0 250.298 2.113 20 5 CEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000267289227 394675804 /nfs/dbraw/zinc/67/58/04/394675804.db2.gz QYIVYGJCVHFQQI-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO CC[N@@H+]1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268210564 394691017 /nfs/dbraw/zinc/69/10/17/394691017.db2.gz QIIVIURLTYAHPA-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO Cc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268448448 394695121 /nfs/dbraw/zinc/69/51/21/394695121.db2.gz FLTCHKUESBAPKS-PWSUYJOCSA-N 1 0 278.356 2.075 20 5 CEBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063283 394710988 /nfs/dbraw/zinc/71/09/88/394710988.db2.gz YHXGIXYOARTHSS-CMPLNLGQSA-N 1 0 289.339 2.234 20 5 CEBDRO Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000269077832 394711352 /nfs/dbraw/zinc/71/13/52/394711352.db2.gz CKSDUYNNPBUGKU-TZMCWYRMSA-N 1 0 290.367 2.219 20 5 CEBDRO [NH3+]C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414879207 394783856 /nfs/dbraw/zinc/78/38/56/394783856.db2.gz IDLCQOGDHTZTCG-UTCJRWHESA-N 1 0 261.325 2.079 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CNCC[C@H]1CCC[NH2+]1 ZINC000414910455 394799703 /nfs/dbraw/zinc/79/97/03/394799703.db2.gz VODUQOMUYHMMIX-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000415063911 394870745 /nfs/dbraw/zinc/87/07/45/394870745.db2.gz JBAVOXMXXAWOGZ-AWEZNQCLSA-N 1 0 281.331 2.341 20 5 CEBDRO [NH3+]C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000415063672 394871188 /nfs/dbraw/zinc/87/11/88/394871188.db2.gz IQPYYRMIAJWEKG-LLVKDONJSA-N 1 0 269.370 2.263 20 5 CEBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000127371927 394851190 /nfs/dbraw/zinc/85/11/90/394851190.db2.gz FZCLTNQAGYEGKU-SNVBAGLBSA-N 1 0 297.380 2.294 20 5 CEBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000127384138 394851212 /nfs/dbraw/zinc/85/12/12/394851212.db2.gz ILGMPTUADZRELF-CQSZACIVSA-N 1 0 279.340 2.088 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000415040941 394859799 /nfs/dbraw/zinc/85/97/99/394859799.db2.gz OUDMBCYYGQSWDY-CYBMUJFWSA-N 1 0 263.341 2.133 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+][C@H]1C ZINC000423386788 394909361 /nfs/dbraw/zinc/90/93/61/394909361.db2.gz RRHUKSXBEKLHPZ-DYEKYZERSA-N 1 0 277.368 2.256 20 5 CEBDRO Cc1cccc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000365057289 394918249 /nfs/dbraw/zinc/91/82/49/394918249.db2.gz VLSUJGQLCRWGMF-OCCSQVGLSA-N 1 0 275.352 2.434 20 5 CEBDRO CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444432 394923312 /nfs/dbraw/zinc/92/33/12/394923312.db2.gz LUSSDPGVPMHCTD-NRUUGDAUSA-N 1 0 251.330 2.371 20 5 CEBDRO Cc1cc(NC(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000415414076 394929212 /nfs/dbraw/zinc/92/92/12/394929212.db2.gz FGEPSPRBMCIKHS-SNVBAGLBSA-N 1 0 280.328 2.152 20 5 CEBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415480657 394935911 /nfs/dbraw/zinc/93/59/11/394935911.db2.gz HWUAGKIJAPJJEF-SECBINFHSA-N 1 0 294.355 2.189 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415507322 394938884 /nfs/dbraw/zinc/93/88/84/394938884.db2.gz SVLXCZUHWPTFTH-CQSZACIVSA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415504884 394938960 /nfs/dbraw/zinc/93/89/60/394938960.db2.gz PSWBLYPCVCSAQE-MNOVXSKESA-N 1 0 292.339 2.152 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423536537 394947986 /nfs/dbraw/zinc/94/79/86/394947986.db2.gz ZOHJJMPHXKIPGI-NEPJUHHUSA-N 1 0 291.351 2.021 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415761081 394961272 /nfs/dbraw/zinc/96/12/72/394961272.db2.gz LADLJJDGCHUJJF-VIFPVBQESA-N 1 0 280.328 2.016 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162617142 395077018 /nfs/dbraw/zinc/07/70/18/395077018.db2.gz ZTTAHMMPQNENCM-NSHDSACASA-N 1 0 266.345 2.440 20 5 CEBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000374986560 395089265 /nfs/dbraw/zinc/08/92/65/395089265.db2.gz JLHIZOGKPMYVPE-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427132212 395093382 /nfs/dbraw/zinc/09/33/82/395093382.db2.gz ANGCNMZMWCDNCV-UONOGXRCSA-N 1 0 275.352 2.087 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000343462195 395039230 /nfs/dbraw/zinc/03/92/30/395039230.db2.gz SYJLBVOLKSXKGB-WDEREUQCSA-N 1 0 264.329 2.193 20 5 CEBDRO Nc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000287456018 395041544 /nfs/dbraw/zinc/04/15/44/395041544.db2.gz RVYVJOTXHPEDQV-ZDUSSCGKSA-N 1 0 290.367 2.242 20 5 CEBDRO CN(c1ncccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376173124 395111792 /nfs/dbraw/zinc/11/17/92/395111792.db2.gz IKVDCQFWYBTWHL-FOSCPWQOSA-N 1 0 276.340 2.051 20 5 CEBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000348276955 395141207 /nfs/dbraw/zinc/14/12/07/395141207.db2.gz QFPVRLSIMRRBKA-GFCCVEGCSA-N 1 0 250.298 2.206 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000430232010 395164193 /nfs/dbraw/zinc/16/41/93/395164193.db2.gz DXHHLOVUANEJOQ-ZWNOBZJWSA-N 1 0 280.324 2.118 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000349929208 395176122 /nfs/dbraw/zinc/17/61/22/395176122.db2.gz AJWYXGZXDPQJIR-NSHDSACASA-N 1 0 294.355 2.445 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000351509826 395225665 /nfs/dbraw/zinc/22/56/65/395225665.db2.gz MWRWZFZUTQGQGM-UWVGGRQHSA-N 1 0 267.304 2.263 20 5 CEBDRO CC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000433145208 395202465 /nfs/dbraw/zinc/20/24/65/395202465.db2.gz FXYKWPWUECAEIG-ZIAGYGMSSA-N 1 0 293.367 2.393 20 5 CEBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[N@H+](C)C1CC1 ZINC000186784851 395294417 /nfs/dbraw/zinc/29/44/17/395294417.db2.gz ODRBOASZSIONTH-UHFFFAOYSA-N 1 0 277.368 2.163 20 5 CEBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186913163 395296186 /nfs/dbraw/zinc/29/61/86/395296186.db2.gz VUGCVANEPHSRLA-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])cc1F ZINC000420294301 395300342 /nfs/dbraw/zinc/30/03/42/395300342.db2.gz YZEDFAMYSNALEE-AYBYRNOTSA-N 1 0 280.303 2.057 20 5 CEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000420629660 395392928 /nfs/dbraw/zinc/39/29/28/395392928.db2.gz CTTROCFYGRYXFB-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO Cc1c(CN2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420328942 395331239 /nfs/dbraw/zinc/33/12/39/395331239.db2.gz ILRHAGDMRFHQFR-CQSZACIVSA-N 1 0 281.331 2.037 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(F)cc(F)c1 ZINC000444697843 395447179 /nfs/dbraw/zinc/44/71/79/395447179.db2.gz ZICHSAHAMQNXEQ-UHFFFAOYSA-N 1 0 296.277 2.202 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000205413453 395472855 /nfs/dbraw/zinc/47/28/55/395472855.db2.gz BFAURZSJVDRGSE-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CSCC[NH+](C)C ZINC000446569351 395493844 /nfs/dbraw/zinc/49/38/44/395493844.db2.gz NBAMUEZAEUKVNS-UHFFFAOYSA-N 1 0 270.354 2.398 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451258846 395600197 /nfs/dbraw/zinc/60/01/97/395600197.db2.gz RXPYFAYTXIEZRX-DOMZBBRYSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449430167 395547872 /nfs/dbraw/zinc/54/78/72/395547872.db2.gz WXKRMVUVSHKSEK-SCRDCRAPSA-N 1 0 278.352 2.276 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449508282 395551887 /nfs/dbraw/zinc/55/18/87/395551887.db2.gz UXSGCBITSIFMIB-RISCZKNCSA-N 1 0 264.325 2.452 20 5 CEBDRO CC[NH+](CC)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450206997 395566407 /nfs/dbraw/zinc/56/64/07/395566407.db2.gz AJFMRFUMFNFYKR-UHFFFAOYSA-N 1 0 288.351 2.319 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301089334 296516776 /nfs/dbraw/zinc/51/67/76/296516776.db2.gz KIWBAFXUYKHPQF-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360048218 155202540 /nfs/dbraw/zinc/20/25/40/155202540.db2.gz RXXBKOIFAFRHEN-LLVKDONJSA-N 1 0 281.331 2.430 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CC=CCC1 ZINC000360101467 155216498 /nfs/dbraw/zinc/21/64/98/155216498.db2.gz LCBYRVPATXSOJN-UHFFFAOYSA-N 1 0 265.288 2.408 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453680 153323237 /nfs/dbraw/zinc/32/32/37/153323237.db2.gz WPPACHWCCUIGDR-GZMMTYOYSA-N 1 0 274.267 2.180 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224379871 153323747 /nfs/dbraw/zinc/32/37/47/153323747.db2.gz BIGYIKRDWSOGQG-NSHDSACASA-N 1 0 252.339 2.438 20 5 CEBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825858 153350311 /nfs/dbraw/zinc/35/03/11/153350311.db2.gz FMOJILSTZHSLPE-CHWSQXEVSA-N 1 0 264.325 2.498 20 5 CEBDRO CC(=O)c1cc(N(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000228261208 153363306 /nfs/dbraw/zinc/36/33/06/153363306.db2.gz YOILOCYQQLBMLO-ZDUSSCGKSA-N 1 0 291.351 2.328 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230162134 153385325 /nfs/dbraw/zinc/38/53/25/153385325.db2.gz ITZXIYNHJOQIPE-NSHDSACASA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cs1 ZINC000230667236 153399381 /nfs/dbraw/zinc/39/93/81/153399381.db2.gz AMUXYIREFOYAQD-GXSJLCMTSA-N 1 0 270.354 2.297 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000360880592 155395443 /nfs/dbraw/zinc/39/54/43/155395443.db2.gz YMMDVDGPKHDTKQ-UHFFFAOYSA-N 1 0 293.371 2.158 20 5 CEBDRO C[NH2+]C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000261580835 153772248 /nfs/dbraw/zinc/77/22/48/153772248.db2.gz FPIOMFJPGDYLNH-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO Cc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000331840045 154216137 /nfs/dbraw/zinc/21/61/37/154216137.db2.gz SXQQWBQKQKMIRK-DZGCQCFKSA-N 1 0 275.352 2.087 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C(F)(F)F)cs1 ZINC000349326135 154314731 /nfs/dbraw/zinc/31/47/31/154314731.db2.gz CXDHIYUKUKAWRQ-SSDOTTSWSA-N 1 0 284.259 2.059 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](O)CC1 ZINC000354748452 154350932 /nfs/dbraw/zinc/35/09/32/154350932.db2.gz QICPKDPRTFPVDM-XSHSDMCLSA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@H](O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000354871201 154359489 /nfs/dbraw/zinc/35/94/89/154359489.db2.gz MCMCRJIZIUUPGL-NSHDSACASA-N 1 0 252.314 2.188 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000356981480 154367939 /nfs/dbraw/zinc/36/79/39/154367939.db2.gz QPKJOKOXRMFDME-UWVGGRQHSA-N 1 0 269.370 2.181 20 5 CEBDRO Cc1c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357076286 154374703 /nfs/dbraw/zinc/37/47/03/154374703.db2.gz WRDBWOLCTIXZCU-STQMWFEESA-N 1 0 277.368 2.428 20 5 CEBDRO C[C@@H]1CC[C@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000368077870 156280468 /nfs/dbraw/zinc/28/04/68/156280468.db2.gz WPLKBHHSOLSPBI-OCCSQVGLSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000368521704 156358425 /nfs/dbraw/zinc/35/84/25/156358425.db2.gz HXTGTYKUCBLMIP-GXTWGEPZSA-N 1 0 262.309 2.206 20 5 CEBDRO COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000376028677 157180078 /nfs/dbraw/zinc/18/00/78/157180078.db2.gz KRQIMLDHZPWGSF-GXTWGEPZSA-N 1 0 292.335 2.214 20 5 CEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000166677702 162350839 /nfs/dbraw/zinc/35/08/39/162350839.db2.gz CDMIGSRYIAPWRM-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170915821 162373419 /nfs/dbraw/zinc/37/34/19/162373419.db2.gz BUXIGLPEWVPZPX-NSHDSACASA-N 1 0 279.340 2.288 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000167080811 165036101 /nfs/dbraw/zinc/03/61/01/165036101.db2.gz RBAZAMSJUSLGDM-BDAKNGLRSA-N 1 0 272.732 2.355 20 5 CEBDRO CC[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176259698 165159415 /nfs/dbraw/zinc/15/94/15/165159415.db2.gz OVVABFUPFPGQFJ-GFCCVEGCSA-N 1 0 266.345 2.446 20 5 CEBDRO CCC[C@@H]([NH2+]CCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199284 171063089 /nfs/dbraw/zinc/06/30/89/171063089.db2.gz QJPOBPMPDUSSMV-CQSZACIVSA-N 1 0 282.340 2.035 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000020208268 171071926 /nfs/dbraw/zinc/07/19/26/171071926.db2.gz NRMVTNUCGFPDFY-GXFFZTMASA-N 1 0 250.298 2.252 20 5 CEBDRO CCC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285338602 196254628 /nfs/dbraw/zinc/25/46/28/196254628.db2.gz OOMISYADYLXNIZ-UHFFFAOYSA-N 1 0 264.325 2.438 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285446462 196286668 /nfs/dbraw/zinc/28/66/68/196286668.db2.gz XSMXNFPALRWHQB-ISVAXAHUSA-N 1 0 286.278 2.388 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037176999 173010787 /nfs/dbraw/zinc/01/07/87/173010787.db2.gz ZLTXUHOMVFKIGR-GWCFXTLKSA-N 1 0 250.298 2.424 20 5 CEBDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177061 173010867 /nfs/dbraw/zinc/01/08/67/173010867.db2.gz UZENUEZWKYPTNS-NSHDSACASA-N 1 0 279.340 2.018 20 5 CEBDRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000038075618 174086008 /nfs/dbraw/zinc/08/60/08/174086008.db2.gz URUMMLITRJUARZ-LLVKDONJSA-N 1 0 291.351 2.162 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000040600055 174350280 /nfs/dbraw/zinc/35/02/80/174350280.db2.gz WJMIHHBKRUSACL-LBPRGKRZSA-N 1 0 293.367 2.035 20 5 CEBDRO CC(C)(C)[NH2+]CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676258 174373843 /nfs/dbraw/zinc/37/38/43/174373843.db2.gz OLHJWWRSZYBGOH-UHFFFAOYSA-N 1 0 293.367 2.032 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C)C ZINC000070944213 176016265 /nfs/dbraw/zinc/01/62/65/176016265.db2.gz VSPPSLIFVPTIJQ-UHFFFAOYSA-N 1 0 265.313 2.182 20 5 CEBDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000071332048 176125200 /nfs/dbraw/zinc/12/52/00/176125200.db2.gz HOALABZSALFBIQ-CYBMUJFWSA-N 1 0 293.367 2.177 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078260937 177329114 /nfs/dbraw/zinc/32/91/14/177329114.db2.gz KDPJDOQYGCSJJN-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447546603 260039484 /nfs/dbraw/zinc/03/94/84/260039484.db2.gz XHFGXJIUASEQQR-UPJWGTAASA-N 1 0 296.371 2.026 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000086697971 260396469 /nfs/dbraw/zinc/39/64/69/260396469.db2.gz BMWSRHGHCCXNMP-LBPRGKRZSA-N 1 0 252.314 2.355 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000395267852 270346095 /nfs/dbraw/zinc/34/60/95/270346095.db2.gz JWDXESNHXOVMOJ-NRUUGDAUSA-N 1 0 252.314 2.405 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397398621 270353370 /nfs/dbraw/zinc/35/33/70/270353370.db2.gz HZHBIZQWRUAUDR-NQBHXWOUSA-N 1 0 291.351 2.040 20 5 CEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397407325 270354513 /nfs/dbraw/zinc/35/45/13/270354513.db2.gz MIZLBQQXEVKPIJ-WZRBSPASSA-N 1 0 291.351 2.040 20 5 CEBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420137105 270471999 /nfs/dbraw/zinc/47/19/99/270471999.db2.gz KIVABPUZHXMVTD-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1C[NH2+]C1 ZINC000420265312 270498279 /nfs/dbraw/zinc/49/82/79/270498279.db2.gz UXFJRKLLGBLJPV-UHFFFAOYSA-N 1 0 284.319 2.065 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420274349 270500797 /nfs/dbraw/zinc/50/07/97/270500797.db2.gz FRWBQJXMUJUXGL-QWRGUYRKSA-N 1 0 281.360 2.049 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420958892 270576961 /nfs/dbraw/zinc/57/69/61/270576961.db2.gz DSWHHMDQQPAQHZ-OUJBWJOFSA-N 1 0 250.298 2.016 20 5 CEBDRO CCOc1ccc([C@H](C)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423178702 270861252 /nfs/dbraw/zinc/86/12/52/270861252.db2.gz GJNODWXIZBUFGE-NSHDSACASA-N 1 0 293.367 2.396 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)C(C)(C)C ZINC000430220387 271365309 /nfs/dbraw/zinc/36/53/09/271365309.db2.gz PRSVLYSEBMGLMP-AWEZNQCLSA-N 1 0 296.367 2.490 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000430245578 271366410 /nfs/dbraw/zinc/36/64/10/271366410.db2.gz UBCIVNIUPXUNJD-QWRGUYRKSA-N 1 0 294.351 2.337 20 5 CEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](C)[NH3+] ZINC000430292133 271371642 /nfs/dbraw/zinc/37/16/42/271371642.db2.gz WHLWNBZGIXTDDB-LLVKDONJSA-N 1 0 279.340 2.069 20 5 CEBDRO C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000430571592 271393078 /nfs/dbraw/zinc/39/30/78/271393078.db2.gz OFUAGHGCCNMTQI-IINYFYTJSA-N 1 0 281.331 2.293 20 5 CEBDRO CCC[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000176902809 273614371 /nfs/dbraw/zinc/61/43/71/273614371.db2.gz PNBPGTJUNJRZFC-UHFFFAOYSA-N 1 0 297.330 2.275 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000295961608 273744254 /nfs/dbraw/zinc/74/42/54/273744254.db2.gz JNEGEEODTQTIDM-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374863 274232613 /nfs/dbraw/zinc/23/26/13/274232613.db2.gz WDVSLCXLQJTLCU-QWRGUYRKSA-N 1 0 289.339 2.113 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530027 274296139 /nfs/dbraw/zinc/29/61/39/274296139.db2.gz ZWKLOCOFPIENEB-TXEJJXNPSA-N 1 0 279.340 2.019 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362091015 274353030 /nfs/dbraw/zinc/35/30/30/274353030.db2.gz QZJPQHGGVRSAHT-NXEZZACHSA-N 1 0 284.743 2.308 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000133503436 274395092 /nfs/dbraw/zinc/39/50/92/274395092.db2.gz DXSDZEWRXINXKV-NXEZZACHSA-N 1 0 262.313 2.027 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)O1 ZINC000296842922 274406044 /nfs/dbraw/zinc/40/60/44/274406044.db2.gz OIJVAOBCXSLYKY-LNLATYFQSA-N 1 0 290.323 2.127 20 5 CEBDRO C[C@H](F)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351846096 274501274 /nfs/dbraw/zinc/50/12/74/274501274.db2.gz ZTGKRWIJLVBURB-LBPRGKRZSA-N 1 0 281.331 2.465 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)n1 ZINC000408169743 274686231 /nfs/dbraw/zinc/68/62/31/274686231.db2.gz ALCZVAYRARQIHZ-UHFFFAOYSA-N 1 0 290.367 2.281 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO)CCCC2 ZINC000417305772 275038068 /nfs/dbraw/zinc/03/80/68/275038068.db2.gz XPPVJVWTRSZVKK-CQSZACIVSA-N 1 0 264.325 2.334 20 5 CEBDRO CCC[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298116444 276040119 /nfs/dbraw/zinc/04/01/19/276040119.db2.gz OSLXPPZBWNIDNR-LBPRGKRZSA-N 1 0 278.356 2.300 20 5 CEBDRO CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274869808 276165264 /nfs/dbraw/zinc/16/52/64/276165264.db2.gz WRYPQCNELPKCBO-UHFFFAOYSA-N 1 0 289.339 2.003 20 5 CEBDRO C[NH+](C)CC1(Nc2nc3sccn3c2[N+](=O)[O-])CCC1 ZINC000282061788 276782329 /nfs/dbraw/zinc/78/23/29/276782329.db2.gz ZYWFRXCZJRCVOX-UHFFFAOYSA-N 1 0 295.368 2.200 20 5 CEBDRO C[NH+](C)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000170844065 276837649 /nfs/dbraw/zinc/83/76/49/276837649.db2.gz RYUOXCHMLTWKIE-LLVKDONJSA-N 1 0 286.335 2.283 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272628124 277146030 /nfs/dbraw/zinc/14/60/30/277146030.db2.gz MRUUXRLFSBWQPV-IUODEOHRSA-N 1 0 275.352 2.121 20 5 CEBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179190481 278247247 /nfs/dbraw/zinc/24/72/47/278247247.db2.gz YCFGNMXRWOQVCU-QMMMGPOBSA-N 1 0 293.348 2.229 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH+]1C ZINC000339623357 278776498 /nfs/dbraw/zinc/77/64/98/278776498.db2.gz XILIECGNXRIABH-VXGBXAGGSA-N 1 0 263.341 2.119 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000356977100 279102992 /nfs/dbraw/zinc/10/29/92/279102992.db2.gz CFEJEHCMCDEFMD-WDEREUQCSA-N 1 0 281.331 2.258 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266209435 279398551 /nfs/dbraw/zinc/39/85/51/279398551.db2.gz MHKUKKRLHINCJR-QWHCGFSZSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338792371 279882022 /nfs/dbraw/zinc/88/20/22/279882022.db2.gz GYKDHJMRNYMLBO-UWVGGRQHSA-N 1 0 267.304 2.263 20 5 CEBDRO CC[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000134235409 280015698 /nfs/dbraw/zinc/01/56/98/280015698.db2.gz PUTMZQYKZJFUBG-UHFFFAOYSA-N 1 0 297.330 2.194 20 5 CEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000356979712 280112167 /nfs/dbraw/zinc/11/21/67/280112167.db2.gz FDVJLHYENYDHHK-RYUDHWBXSA-N 1 0 263.341 2.119 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000297326315 280335829 /nfs/dbraw/zinc/33/58/29/280335829.db2.gz HHVJHXDTSHDAAQ-MJVIPROJSA-N 1 0 291.351 2.101 20 5 CEBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000249059078 280381802 /nfs/dbraw/zinc/38/18/02/280381802.db2.gz HLCNMVXNSVKCBS-BXUZGUMPSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000301589300 281013626 /nfs/dbraw/zinc/01/36/26/281013626.db2.gz XYCWCSKEUXELFG-ZDUSSCGKSA-N 1 0 273.336 2.354 20 5 CEBDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464549 281048048 /nfs/dbraw/zinc/04/80/48/281048048.db2.gz MEPFDYWAFMFWPE-JQWIXIFHSA-N 1 0 251.330 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423946800 281107845 /nfs/dbraw/zinc/10/78/45/281107845.db2.gz JUCZHDIUJCPOJZ-AWEZNQCLSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccc1[N+](=O)[O-] ZINC000424418193 281157530 /nfs/dbraw/zinc/15/75/30/281157530.db2.gz PHOMHNOZTDADIK-VXGBXAGGSA-N 1 0 292.339 2.295 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCC1)CCC2 ZINC000447541417 281834462 /nfs/dbraw/zinc/83/44/62/281834462.db2.gz MHTORLLSRPFGSV-CQSZACIVSA-N 1 0 276.336 2.477 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000155926958 289185655 /nfs/dbraw/zinc/18/56/55/289185655.db2.gz HUBINGZCUSERKP-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO C[NH+](C)C1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000421685503 289294871 /nfs/dbraw/zinc/29/48/71/289294871.db2.gz SBUSPIUUCDMODE-UHFFFAOYSA-N 1 0 297.380 2.259 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242752 290021899 /nfs/dbraw/zinc/02/18/99/290021899.db2.gz BRHSFPZLXXZJCQ-OPQQBVKSSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380387 290131635 /nfs/dbraw/zinc/13/16/35/290131635.db2.gz BJCBDRBWRWMIRJ-JSGCOSHPSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459802765 290245671 /nfs/dbraw/zinc/24/56/71/290245671.db2.gz YXGMTWCJDZGMRK-NSHDSACASA-N 1 0 290.323 2.058 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279721858 290267507 /nfs/dbraw/zinc/26/75/07/290267507.db2.gz IYDGQWIBMYISIY-ZWNOBZJWSA-N 1 0 264.325 2.359 20 5 CEBDRO Cc1cnc(N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487065043 290329957 /nfs/dbraw/zinc/32/99/57/290329957.db2.gz QCQCHUFIKBTYQB-ZDUSSCGKSA-N 1 0 278.356 2.075 20 5 CEBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269459 290355299 /nfs/dbraw/zinc/35/52/99/290355299.db2.gz APCZWYPXOZXHMV-QWRGUYRKSA-N 1 0 264.325 2.329 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000530495452 298074423 /nfs/dbraw/zinc/07/44/23/298074423.db2.gz LYXACRGZBGYDHL-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540822408 298268657 /nfs/dbraw/zinc/26/86/57/298268657.db2.gz HJHXRNLNYCPQMY-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000540918115 298270781 /nfs/dbraw/zinc/27/07/81/298270781.db2.gz GIPPJZAOJFQLBP-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184308 298328908 /nfs/dbraw/zinc/32/89/08/298328908.db2.gz NXJPXLYINNWCGQ-DOMZBBRYSA-N 1 0 294.351 2.359 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000557004434 298563250 /nfs/dbraw/zinc/56/32/50/298563250.db2.gz WEEAWVZOFVZVLV-LLVKDONJSA-N 1 0 292.339 2.106 20 5 CEBDRO Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000562832557 298715676 /nfs/dbraw/zinc/71/56/76/298715676.db2.gz VGRHGPSFCAKFRV-ZDUSSCGKSA-N 1 0 267.304 2.041 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264589193 304810755 /nfs/dbraw/zinc/81/07/55/304810755.db2.gz LHBJLQZRLABJCI-CYBMUJFWSA-N 1 0 290.367 2.445 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000517287618 313107906 /nfs/dbraw/zinc/10/79/06/313107906.db2.gz VLGTVUSSVFJYNA-ABAIWWIYSA-N 1 0 298.346 2.283 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000564451213 313764823 /nfs/dbraw/zinc/76/48/23/313764823.db2.gz JMANOCQAEBEFIH-NXEZZACHSA-N 1 0 290.323 2.280 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCn2ccnc2C1 ZINC000570174906 314029730 /nfs/dbraw/zinc/02/97/30/314029730.db2.gz GRYDHQJPHUYMCQ-RISCZKNCSA-N 1 0 298.346 2.383 20 5 CEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577109695 314342623 /nfs/dbraw/zinc/34/26/23/314342623.db2.gz JWFJHPAZLVHKPU-BDAKNGLRSA-N 1 0 299.758 2.033 20 5 CEBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578745552 314512474 /nfs/dbraw/zinc/51/24/74/314512474.db2.gz GBSPIBNNXIZUSP-VXGBXAGGSA-N 1 0 298.346 2.189 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579454266 314587469 /nfs/dbraw/zinc/58/74/69/314587469.db2.gz GOLABOOGERQSJI-STQMWFEESA-N 1 0 298.346 2.331 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000383326009 321847389 /nfs/dbraw/zinc/84/73/89/321847389.db2.gz XHWOUBSFGJAZEP-UHFFFAOYSA-N 1 0 279.340 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCO2)c(F)c1 ZINC000386676129 321872887 /nfs/dbraw/zinc/87/28/87/321872887.db2.gz XQCZIMUHRIJFJT-LLVKDONJSA-N 1 0 254.261 2.003 20 5 CEBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000584390505 329325155 /nfs/dbraw/zinc/32/51/55/329325155.db2.gz IDLVVSXUKOGMAM-ZDEQEGDKSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157481613 533831344 /nfs/dbraw/zinc/83/13/44/533831344.db2.gz HDXLMQLGWALGBJ-NSHDSACASA-N 1 0 264.325 2.408 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691959 533846302 /nfs/dbraw/zinc/84/63/02/533846302.db2.gz GVNAZNOUZQVQHG-MFKMUULPSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000414496086 533909288 /nfs/dbraw/zinc/90/92/88/533909288.db2.gz CTIOKGNYURRSHL-WCBMZHEXSA-N 1 0 298.364 2.293 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000067949174 522035296 /nfs/dbraw/zinc/03/52/96/522035296.db2.gz NRJRGERZXGHYSA-NSHDSACASA-N 1 0 276.296 2.298 20 5 CEBDRO C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000070175313 524238570 /nfs/dbraw/zinc/23/85/70/524238570.db2.gz MIJYSSLPZAUYPC-MWLCHTKSSA-N 1 0 269.370 2.216 20 5 CEBDRO C[C@@H](CC[NH+](C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000049553541 524476380 /nfs/dbraw/zinc/47/63/80/524476380.db2.gz UXWFJRUKPFZHCG-NSHDSACASA-N 1 0 251.330 2.025 20 5 CEBDRO C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163898190 524508777 /nfs/dbraw/zinc/50/87/77/524508777.db2.gz RFINJYMKXDAPMK-PWSUYJOCSA-N 1 0 281.331 2.151 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000183637325 525893824 /nfs/dbraw/zinc/89/38/24/525893824.db2.gz BUWVSKKEPGRWIJ-SNVBAGLBSA-N 1 0 279.340 2.065 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000156422079 527389590 /nfs/dbraw/zinc/38/95/90/527389590.db2.gz MAWGWRMRJQYZGV-VIFPVBQESA-N 1 0 265.288 2.383 20 5 CEBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000357561348 528832653 /nfs/dbraw/zinc/83/26/53/528832653.db2.gz CGIYLMXGUKGPIN-VIFPVBQESA-N 1 0 284.335 2.457 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414528253 529186824 /nfs/dbraw/zinc/18/68/24/529186824.db2.gz NXZAVSPLFGBZSK-TZMCWYRMSA-N 1 0 266.341 2.480 20 5 CEBDRO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000742238921 575012765 /nfs/dbraw/zinc/01/27/65/575012765.db2.gz IREXJDIRJFIJIB-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049671 575147395 /nfs/dbraw/zinc/14/73/95/575147395.db2.gz UWEPGVRCQHSFEU-ZWNOBZJWSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@@H](C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083630 575245869 /nfs/dbraw/zinc/24/58/69/575245869.db2.gz WLJXAMWAYSVECN-SWLSCSKDSA-N 1 0 296.367 2.374 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCC3)sc2c1 ZINC000751941564 575301924 /nfs/dbraw/zinc/30/19/24/575301924.db2.gz VEPFLFPLNYGEAK-UHFFFAOYSA-N 1 0 278.337 2.322 20 5 CEBDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050370373 623402785 /nfs/dbraw/zinc/40/27/85/623402785.db2.gz XJESGZXGRURKNP-QWHCGFSZSA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000167445466 625661454 /nfs/dbraw/zinc/66/14/54/625661454.db2.gz DZVHJZHGUFJXOZ-DGCLKSJQSA-N 1 0 282.365 2.113 20 5 CEBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2OC)C1 ZINC000891968029 624206169 /nfs/dbraw/zinc/20/61/69/624206169.db2.gz TVPIYSZBRVMVHW-NSHDSACASA-N 1 0 294.355 2.142 20 5 CEBDRO CC[NH+](CC)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176719566 624598595 /nfs/dbraw/zinc/59/85/95/624598595.db2.gz SJNULPHGHZDLKN-UHFFFAOYSA-N 1 0 297.330 2.114 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000892288493 624643140 /nfs/dbraw/zinc/64/31/40/624643140.db2.gz QNPFCTICXPJDAU-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO CC(C)[NH2+]CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218906 624678040 /nfs/dbraw/zinc/67/80/40/624678040.db2.gz KCNVIOGWXZEEKT-UHFFFAOYSA-N 1 0 282.325 2.247 20 5 CEBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479548 624777037 /nfs/dbraw/zinc/77/70/37/624777037.db2.gz IOWNBVJTIPUBQC-RYUDHWBXSA-N 1 0 282.340 2.297 20 5 CEBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000052926395 625065095 /nfs/dbraw/zinc/06/50/95/625065095.db2.gz ATEREYUDUNLLAX-UHFFFAOYSA-N 1 0 291.351 2.133 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000235838681 625771840 /nfs/dbraw/zinc/77/18/40/625771840.db2.gz JMNVUBDXSQKXLN-ZDUSSCGKSA-N 1 0 291.351 2.151 20 5 CEBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000177923591 625915554 /nfs/dbraw/zinc/91/55/54/625915554.db2.gz VYSUMGFTQONEAM-UHFFFAOYSA-N 1 0 266.297 2.026 20 5 CEBDRO CN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042545420 634495820 /nfs/dbraw/zinc/49/58/20/634495820.db2.gz MBKMJOHZPHSYRR-SNVBAGLBSA-N 1 0 269.732 2.042 20 5 CEBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nc1 ZINC000893067906 627976475 /nfs/dbraw/zinc/97/64/75/627976475.db2.gz MULCLVCKFQXAMA-UHFFFAOYSA-N 1 0 287.319 2.331 20 5 CEBDRO Cn1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000893330440 628339163 /nfs/dbraw/zinc/33/91/63/628339163.db2.gz YDNOALPZOSXMRK-UHFFFAOYSA-N 1 0 286.335 2.496 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000312643861 628358189 /nfs/dbraw/zinc/35/81/89/628358189.db2.gz DJALQEQZWFHVBF-PWSUYJOCSA-N 1 0 286.278 2.406 20 5 CEBDRO C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430689 634652813 /nfs/dbraw/zinc/65/28/13/634652813.db2.gz QBUPBRDTKZRBHU-SMDDNHRTSA-N 1 0 277.368 2.428 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCSCC2)cc1 ZINC000776595804 628501278 /nfs/dbraw/zinc/50/12/78/628501278.db2.gz SDKYRRBSIFALMB-ZDUSSCGKSA-N 1 0 282.365 2.067 20 5 CEBDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000902447652 634670422 /nfs/dbraw/zinc/67/04/22/634670422.db2.gz UWDAKUKNCLZFHF-ZWNOBZJWSA-N 1 0 263.341 2.243 20 5 CEBDRO Cc1ccc(CN[C@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732933 628687439 /nfs/dbraw/zinc/68/74/39/628687439.db2.gz HGKLVLHFYLOSEL-KBPBESRZSA-N 1 0 275.352 2.263 20 5 CEBDRO CC1(C)C[NH2+]CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000261564653 628939197 /nfs/dbraw/zinc/93/91/97/628939197.db2.gz DJJXSDXRBLJTPB-CYBMUJFWSA-N 1 0 263.341 2.073 20 5 CEBDRO CCOC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178577847 628952239 /nfs/dbraw/zinc/95/22/39/628952239.db2.gz NQQZIWNKRJNLFO-HNNXBMFYSA-N 1 0 294.351 2.129 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCC2)no1 ZINC000261754890 629183229 /nfs/dbraw/zinc/18/32/29/629183229.db2.gz MADNCIVUXWPVOW-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000894720627 629607616 /nfs/dbraw/zinc/60/76/16/629607616.db2.gz WXPJWLLSQXCVDJ-GFCCVEGCSA-N 1 0 293.371 2.147 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636059 634755896 /nfs/dbraw/zinc/75/58/96/634755896.db2.gz DURHMDMTXATTPE-GXTWGEPZSA-N 1 0 290.323 2.011 20 5 CEBDRO C[C@@H]1[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928457056 629722289 /nfs/dbraw/zinc/72/22/89/629722289.db2.gz OUIDKAUUKQPXBN-LDYMZIIASA-N 1 0 297.742 2.071 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049084271 629751203 /nfs/dbraw/zinc/75/12/03/629751203.db2.gz YQEJDWDFOJPQJF-WCQYABFASA-N 1 0 263.341 2.258 20 5 CEBDRO CCC[C@@H]1CN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895058406 629832213 /nfs/dbraw/zinc/83/22/13/629832213.db2.gz KSEHEZVYOKGLKC-CYBMUJFWSA-N 1 0 291.351 2.376 20 5 CEBDRO CC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000895119850 629922253 /nfs/dbraw/zinc/92/22/53/629922253.db2.gz IEIWGTIZHGOHQC-WAFBPQNNSA-N 1 0 292.335 2.397 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895435315 630183747 /nfs/dbraw/zinc/18/37/47/630183747.db2.gz ZPAHSBJIKIMXTJ-JGZJWPJOSA-N 1 0 298.726 2.289 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000895740941 630320736 /nfs/dbraw/zinc/32/07/36/630320736.db2.gz UWZLIKYAHVBORR-GXFFZTMASA-N 1 0 279.340 2.246 20 5 CEBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895736308 630326632 /nfs/dbraw/zinc/32/66/32/630326632.db2.gz KDXGHQXUDNNYKT-SKDRFNHKSA-N 1 0 277.324 2.302 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000895769037 630338405 /nfs/dbraw/zinc/33/84/05/630338405.db2.gz LXBOUDUPPXPHHF-LBPRGKRZSA-N 1 0 272.308 2.259 20 5 CEBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000895771294 630339912 /nfs/dbraw/zinc/33/99/12/630339912.db2.gz JTGPMUSRYSFJME-VIFPVBQESA-N 1 0 287.266 2.312 20 5 CEBDRO [NH3+]CC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(F)F ZINC000841074113 634821789 /nfs/dbraw/zinc/82/17/89/634821789.db2.gz LOOISQKRLIBGRM-SECBINFHSA-N 1 0 293.701 2.320 20 5 CEBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896517757 630587093 /nfs/dbraw/zinc/58/70/93/630587093.db2.gz JCUHFTMTQPKMGH-NSHDSACASA-N 1 0 297.380 2.322 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609145 630611722 /nfs/dbraw/zinc/61/17/22/630611722.db2.gz WUNYKNUGJMQZMR-VIFPVBQESA-N 1 0 298.339 2.212 20 5 CEBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799371444 631021182 /nfs/dbraw/zinc/02/11/82/631021182.db2.gz CAMLPUXIDIMUDS-ZNMIVQPWSA-N 1 0 294.351 2.175 20 5 CEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCC1 ZINC000801540531 631285853 /nfs/dbraw/zinc/28/58/53/631285853.db2.gz BEKGHJIGVHPOBJ-UHFFFAOYSA-N 1 0 268.288 2.081 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])nc1 ZINC000897419807 631338034 /nfs/dbraw/zinc/33/80/34/631338034.db2.gz UIXQTAANXBJDFA-UHFFFAOYSA-N 1 0 266.345 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000904420813 635632858 /nfs/dbraw/zinc/63/28/58/635632858.db2.gz GZCHRGXVIIIING-GFCCVEGCSA-N 1 0 292.339 2.023 20 5 CEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000804378002 631672887 /nfs/dbraw/zinc/67/28/87/631672887.db2.gz XMLOXJLEDCCCHN-SECBINFHSA-N 1 0 292.295 2.152 20 5 CEBDRO O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011750 631728309 /nfs/dbraw/zinc/72/83/09/631728309.db2.gz UQBGGSVFJYUNSM-SECBINFHSA-N 1 0 298.730 2.122 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1 ZINC000925313830 631791133 /nfs/dbraw/zinc/79/11/33/631791133.db2.gz QHPISPMAMSODFG-AWEZNQCLSA-N 1 0 292.335 2.023 20 5 CEBDRO Cc1nn(CN2CC(C)(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000840183893 632132187 /nfs/dbraw/zinc/13/21/87/632132187.db2.gz OWAVTVCCZLDVKC-SECBINFHSA-N 1 0 266.345 2.486 20 5 CEBDRO CC[C@@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000322643538 632234472 /nfs/dbraw/zinc/23/44/72/632234472.db2.gz UZMGBFBJVPVQTN-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565850 633032776 /nfs/dbraw/zinc/03/27/76/633032776.db2.gz BRHXWAZUHWSNHJ-PWSUYJOCSA-N 1 0 279.340 2.397 20 5 CEBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815583047 633034795 /nfs/dbraw/zinc/03/47/95/633034795.db2.gz VSRFHWNXNJIXBC-VIFPVBQESA-N 1 0 275.312 2.059 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]CC1(C)C ZINC000900021557 633185481 /nfs/dbraw/zinc/18/54/81/633185481.db2.gz XUKNWLTUYSEZLK-NSHDSACASA-N 1 0 265.313 2.013 20 5 CEBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962254 633804911 /nfs/dbraw/zinc/80/49/11/633804911.db2.gz KAAKUVNEKWSKSK-PWSUYJOCSA-N 1 0 280.372 2.345 20 5 CEBDRO O=[N+]([O-])c1ccccc1-c1cc(C[C@@H]2CC[NH2+]C2)on1 ZINC000901396753 634089748 /nfs/dbraw/zinc/08/97/48/634089748.db2.gz XMROVTOXAPYYBI-JTQLQIEISA-N 1 0 273.292 2.402 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CS1 ZINC000819367936 634158102 /nfs/dbraw/zinc/15/81/02/634158102.db2.gz LVJALXMYRDSFOK-CDMKHQONSA-N 1 0 282.365 2.112 20 5 CEBDRO CO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000819375160 634161615 /nfs/dbraw/zinc/16/16/15/634161615.db2.gz PZHHHCNQBZGZKJ-HUUCEWRRSA-N 1 0 296.367 2.279 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903103589 634971118 /nfs/dbraw/zinc/97/11/18/634971118.db2.gz KKKABYFCVLPIBJ-QWRGUYRKSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153895 634991707 /nfs/dbraw/zinc/99/17/07/634991707.db2.gz PJKVJZFDKNJRHX-QCZZGDTMSA-N 1 0 294.351 2.413 20 5 CEBDRO CC[C@@H](N)c1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000822863964 635015277 /nfs/dbraw/zinc/01/52/77/635015277.db2.gz WDUPZCXOGYKRRR-SNVBAGLBSA-N 1 0 276.296 2.287 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000903218181 635020882 /nfs/dbraw/zinc/02/08/82/635020882.db2.gz JRKCJDTWKRTUJK-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903221114 635022329 /nfs/dbraw/zinc/02/23/29/635022329.db2.gz YKNQCLSDRUEDCY-VXGBXAGGSA-N 1 0 291.351 2.114 20 5 CEBDRO C[C@H](C[NH2+][C@@H](C)c1cnnn1C)c1ccccc1[N+](=O)[O-] ZINC000903246178 635027716 /nfs/dbraw/zinc/02/77/16/635027716.db2.gz RVUVQMGTQLINAP-MNOVXSKESA-N 1 0 289.339 2.178 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](O)C1CC1 ZINC000903413046 635106225 /nfs/dbraw/zinc/10/62/25/635106225.db2.gz YYNHIIRDRZUEBC-BONVTDFDSA-N 1 0 296.342 2.416 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000903796999 635275181 /nfs/dbraw/zinc/27/51/81/635275181.db2.gz ZWVKHYLOSHXNIS-ZFWWWQNUSA-N 1 0 275.352 2.298 20 5 CEBDRO C[NH2+][C@H](C)Cc1noc(-c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000904076963 635438185 /nfs/dbraw/zinc/43/81/85/635438185.db2.gz LQTGNEBQOKHYSM-SECBINFHSA-N 1 0 290.323 2.412 20 5 CEBDRO [NH3+]CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000904405219 635612533 /nfs/dbraw/zinc/61/25/33/635612533.db2.gz IYXDPSFXDMMGEJ-JTQLQIEISA-N 1 0 283.759 2.419 20 5 CEBDRO CC(C)COc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905068642 635810423 /nfs/dbraw/zinc/81/04/23/635810423.db2.gz QASNILGRSQOUMU-UHFFFAOYSA-N 1 0 252.314 2.088 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000905276412 636204076 /nfs/dbraw/zinc/20/40/76/636204076.db2.gz XYBUAZVTGBQVJN-MGCOHNPYSA-N 1 0 254.717 2.452 20 5 CEBDRO Cc1cc(NCC[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000905331482 636235499 /nfs/dbraw/zinc/23/54/99/636235499.db2.gz WLVZRVQNIQRGMW-UHFFFAOYSA-N 1 0 293.367 2.158 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@]23C[C@H]2CCC3)cc1 ZINC000905621610 636347621 /nfs/dbraw/zinc/34/76/21/636347621.db2.gz WACZAXJLUQBDKI-SNPRPXQTSA-N 1 0 276.336 2.408 20 5 CEBDRO COC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000905615294 636358881 /nfs/dbraw/zinc/35/88/81/636358881.db2.gz AOWPBFYOZMYNLW-DZGCQCFKSA-N 1 0 296.367 2.136 20 5 CEBDRO C[N@@H+]1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000906508118 636758541 /nfs/dbraw/zinc/75/85/41/636758541.db2.gz VIDPHJKMIMLSDJ-CYBMUJFWSA-N 1 0 294.351 2.340 20 5 CEBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000876527959 650305359 /nfs/dbraw/zinc/30/53/59/650305359.db2.gz IEDUGMMGSWDSOU-LBPRGKRZSA-N 1 0 299.330 2.182 20 5 CEBDRO C[NH2+]CCCOc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000830391864 637055335 /nfs/dbraw/zinc/05/53/35/637055335.db2.gz NTSRUVCDBDXSMW-UHFFFAOYSA-N 1 0 262.668 2.376 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541004 650313862 /nfs/dbraw/zinc/31/38/62/650313862.db2.gz VBQAKQBSDNJBDE-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)CC1 ZINC000876540819 650313897 /nfs/dbraw/zinc/31/38/97/650313897.db2.gz NVFHBOIBQURAMR-UHFFFAOYSA-N 1 0 264.325 2.168 20 5 CEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830837962 637174536 /nfs/dbraw/zinc/17/45/36/637174536.db2.gz DOGNDEHMVDPLQU-LBPRGKRZSA-N 1 0 299.415 2.059 20 5 CEBDRO Cc1ccc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000876546090 650316826 /nfs/dbraw/zinc/31/68/26/650316826.db2.gz XZWGQCLQBSQVOF-PZBABLGHSA-N 1 0 289.335 2.398 20 5 CEBDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000924842727 638457667 /nfs/dbraw/zinc/45/76/67/638457667.db2.gz VFCMJZJJQLZHFD-SNVBAGLBSA-N 1 0 282.340 2.100 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000876792530 650433849 /nfs/dbraw/zinc/43/38/49/650433849.db2.gz XEGMERQOHZTADX-AWEZNQCLSA-N 1 0 264.325 2.168 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000876835073 650453460 /nfs/dbraw/zinc/45/34/60/650453460.db2.gz RRENKDHGVMOANT-CMPLNLGQSA-N 1 0 291.351 2.082 20 5 CEBDRO Cc1nc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000876913165 650483345 /nfs/dbraw/zinc/48/33/45/650483345.db2.gz BPVLZCXJBJFKMY-UHFFFAOYSA-N 1 0 293.352 2.050 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036719 639627562 /nfs/dbraw/zinc/62/75/62/639627562.db2.gz WIIWRUBHMNFMLG-LLVKDONJSA-N 1 0 269.732 2.090 20 5 CEBDRO C[NH2+]CCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102960 639672596 /nfs/dbraw/zinc/67/25/96/639672596.db2.gz DPSWQPGURQGFFW-UHFFFAOYSA-N 1 0 271.748 2.290 20 5 CEBDRO [NH3+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000841233212 639714007 /nfs/dbraw/zinc/71/40/07/639714007.db2.gz OLUNHTBNJKUDEM-MRVPVSSYSA-N 1 0 298.730 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CCCCO)C1CC1 ZINC000172351551 639760244 /nfs/dbraw/zinc/76/02/44/639760244.db2.gz ZOIQHXPBQDTHEY-UHFFFAOYSA-N 1 0 282.315 2.471 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063167953 639836116 /nfs/dbraw/zinc/83/61/16/639836116.db2.gz NDCYULZJOHVIDQ-ZDUSSCGKSA-N 1 0 292.339 2.201 20 5 CEBDRO C[C@H]1CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173527009 639864123 /nfs/dbraw/zinc/86/41/23/639864123.db2.gz DTEJPRGMPYCSMP-NSHDSACASA-N 1 0 287.323 2.295 20 5 CEBDRO CC(C)(C)[S@](=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877054476 650550839 /nfs/dbraw/zinc/55/08/39/650550839.db2.gz FLUPLUOJULGJPT-HXUWFJFHSA-N 1 0 298.408 2.274 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000843056864 640258615 /nfs/dbraw/zinc/25/86/15/640258615.db2.gz BDFILDLRQIBZMD-VHSXEESVSA-N 1 0 283.759 2.417 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000843116038 640286400 /nfs/dbraw/zinc/28/64/00/640286400.db2.gz NLKKEFQQNAGELN-KKUMJFAQSA-N 1 0 296.367 2.013 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000843147589 640306005 /nfs/dbraw/zinc/30/60/05/640306005.db2.gz BMOISSUQTQMCII-GFCCVEGCSA-N 1 0 291.311 2.246 20 5 CEBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843148296 640307572 /nfs/dbraw/zinc/30/75/72/640307572.db2.gz PGDFDRSWALLBJW-JTQLQIEISA-N 1 0 277.284 2.004 20 5 CEBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000877097140 650570434 /nfs/dbraw/zinc/57/04/34/650570434.db2.gz BJHSAMZGBHTUSS-JTQLQIEISA-N 1 0 293.367 2.312 20 5 CEBDRO Cc1c(Cc2noc(C(C)(C)C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843192375 640343393 /nfs/dbraw/zinc/34/33/93/640343393.db2.gz TULXVBVQFDHIHJ-UHFFFAOYSA-N 1 0 290.323 2.113 20 5 CEBDRO Cc1c(-c2noc([C@@]3(C)CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238231 640364613 /nfs/dbraw/zinc/36/46/13/640364613.db2.gz LLVJXFBPBJVXCI-AWEZNQCLSA-N 1 0 288.307 2.204 20 5 CEBDRO Cc1ncc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711392 640442074 /nfs/dbraw/zinc/44/20/74/640442074.db2.gz YCWOJQZKISAMHW-ZDUSSCGKSA-N 1 0 293.348 2.183 20 5 CEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000917838151 640920589 /nfs/dbraw/zinc/92/05/89/640920589.db2.gz JJSYJVRAEOVWIW-JTQLQIEISA-N 1 0 297.380 2.261 20 5 CEBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918378708 640957733 /nfs/dbraw/zinc/95/77/33/640957733.db2.gz QXNQMYXQEKPDRR-NSHDSACASA-N 1 0 252.318 2.054 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000918734888 640987744 /nfs/dbraw/zinc/98/77/44/640987744.db2.gz BILPWQMNBMHALU-NSHDSACASA-N 1 0 289.339 2.139 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CCF)cc1Cl ZINC000846098984 641181085 /nfs/dbraw/zinc/18/10/85/641181085.db2.gz WEJZZAZEFSATEL-SECBINFHSA-N 1 0 276.695 2.058 20 5 CEBDRO C[C@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846111259 641185835 /nfs/dbraw/zinc/18/58/35/641185835.db2.gz NMMRQDMQMNIPJB-SECBINFHSA-N 1 0 272.732 2.451 20 5 CEBDRO Cc1cc(C(=O)OCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000920841264 641205953 /nfs/dbraw/zinc/20/59/53/641205953.db2.gz MBSICWHXJPVNPY-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000877242280 650639530 /nfs/dbraw/zinc/63/95/30/650639530.db2.gz MBCOEIAFCZVZSN-KLPPZKSPSA-N 1 0 299.330 2.215 20 5 CEBDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183899319 641811769 /nfs/dbraw/zinc/81/17/69/641811769.db2.gz DLXNZRPMRDBNIK-LLVKDONJSA-N 1 0 280.324 2.399 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCCCC[NH3+])c1 ZINC000877441737 650723685 /nfs/dbraw/zinc/72/36/85/650723685.db2.gz QECTWIYPCMIGNX-UHFFFAOYSA-N 1 0 293.367 2.494 20 5 CEBDRO C[C@@H]1CCCN(C(=[NH2+])NCCc2ccccc2[N+](=O)[O-])C1 ZINC000849010005 642226812 /nfs/dbraw/zinc/22/68/12/642226812.db2.gz SUMIDLGFIUBNMX-GFCCVEGCSA-N 1 0 290.367 2.394 20 5 CEBDRO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CCC1 ZINC000849016382 642232442 /nfs/dbraw/zinc/23/24/42/642232442.db2.gz RRTJDUSAIOXAQZ-UHFFFAOYSA-N 1 0 296.758 2.457 20 5 CEBDRO CCCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849021954 642235894 /nfs/dbraw/zinc/23/58/94/642235894.db2.gz NORIOPKSPJYRBI-UHFFFAOYSA-N 1 0 264.329 2.317 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000921619852 642276740 /nfs/dbraw/zinc/27/67/40/642276740.db2.gz QLIUHJQFKVAJFI-UHFFFAOYSA-N 1 0 278.287 2.051 20 5 CEBDRO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000849330806 642333012 /nfs/dbraw/zinc/33/30/12/642333012.db2.gz CORXINHXMSCOSU-KCPJHIHWSA-N 1 0 294.351 2.175 20 5 CEBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850312716 642664419 /nfs/dbraw/zinc/66/44/19/642664419.db2.gz ZDLGKADRVAYREL-GZZJDILISA-N 1 0 292.335 2.443 20 5 CEBDRO CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001002192588 642758747 /nfs/dbraw/zinc/75/87/47/642758747.db2.gz NUXIPUXVACIKDF-UHFFFAOYSA-N 1 0 291.351 2.085 20 5 CEBDRO CC[C@@H]1C[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877564697 650791790 /nfs/dbraw/zinc/79/17/90/650791790.db2.gz JFMXNIOBYHGMOU-QKEWWQLBSA-N 1 0 264.329 2.131 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000922557327 643127721 /nfs/dbraw/zinc/12/77/21/643127721.db2.gz OCEPQKFPVAWBGB-RISCZKNCSA-N 1 0 293.367 2.176 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC[C@H]3CC3(F)F)C2)c1 ZINC000877648469 650832163 /nfs/dbraw/zinc/83/21/63/650832163.db2.gz ZBOMTYHXKUIVBN-IDKOKCKLSA-N 1 0 286.282 2.130 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@H]1CCOC1 ZINC000922939269 643461867 /nfs/dbraw/zinc/46/18/67/643461867.db2.gz NFMYQYXVXBVQAO-KQIUPUNMSA-N 1 0 292.335 2.003 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000852587065 643484202 /nfs/dbraw/zinc/48/42/02/643484202.db2.gz RGPXDVSFOBFWHM-XUJVJEKNSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000923441120 643717589 /nfs/dbraw/zinc/71/75/89/643717589.db2.gz HYOQPRHOJHGNGT-FRRDWIJNSA-N 1 0 293.367 2.044 20 5 CEBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923533824 643753980 /nfs/dbraw/zinc/75/39/80/643753980.db2.gz IVUFNYWIRVWHKQ-MRXNPFEDSA-N 1 0 289.379 2.355 20 5 CEBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000877723320 650871643 /nfs/dbraw/zinc/87/16/43/650871643.db2.gz YVZBPOXJRKNECQ-XUJVJEKNSA-N 1 0 290.319 2.026 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111829537 643965920 /nfs/dbraw/zinc/96/59/20/643965920.db2.gz PRDBFASKPBVSRC-SNVBAGLBSA-N 1 0 299.758 2.351 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)CC[C@H]21 ZINC000877744824 650891785 /nfs/dbraw/zinc/89/17/85/650891785.db2.gz YFBNZKSLPWQCEI-NWDGAFQWSA-N 1 0 281.381 2.182 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C/C=C\Cl)CC2 ZINC000754217869 644342147 /nfs/dbraw/zinc/34/21/47/644342147.db2.gz FTIFYQCZZXVXQM-IWQZZHSRSA-N 1 0 253.689 2.100 20 5 CEBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000877827570 650923960 /nfs/dbraw/zinc/92/39/60/650923960.db2.gz CBILISHKIUSSAI-ZOWXZIJZSA-N 1 0 294.351 2.297 20 5 CEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761097503 645240060 /nfs/dbraw/zinc/24/00/60/645240060.db2.gz TTWYXKBDVALFLY-PWSUYJOCSA-N 1 0 278.308 2.076 20 5 CEBDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000858812144 645262445 /nfs/dbraw/zinc/26/24/45/645262445.db2.gz LLBSZVIHMZWHTK-SNVBAGLBSA-N 1 0 299.758 2.035 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849348 645816395 /nfs/dbraw/zinc/81/63/95/645816395.db2.gz PAOZLWFXPYXVLP-BXKDBHETSA-N 1 0 293.348 2.436 20 5 CEBDRO C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[NH2+]1 ZINC000863649223 646776217 /nfs/dbraw/zinc/77/62/17/646776217.db2.gz AXYOFPVWBPITOC-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO Cc1ccc(-c2noc(C3=CC[C@H]([NH3+])C3)n2)cc1[N+](=O)[O-] ZINC000863660372 646783210 /nfs/dbraw/zinc/78/32/10/646783210.db2.gz XFLZVMURQZNRHB-NSHDSACASA-N 1 0 286.291 2.458 20 5 CEBDRO C[C@H]1CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775180558 646929055 /nfs/dbraw/zinc/92/90/55/646929055.db2.gz ZZDDXRHZQGCXLX-WCBMZHEXSA-N 1 0 260.297 2.359 20 5 CEBDRO CC[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589251 647075983 /nfs/dbraw/zinc/07/59/83/647075983.db2.gz QMHGOIPTSIGZJJ-UONOGXRCSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000779858466 647365686 /nfs/dbraw/zinc/36/56/86/647365686.db2.gz FNMIFOOEVGTAPL-NSHDSACASA-N 1 0 252.318 2.178 20 5 CEBDRO Cc1nn(CN2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000779865159 647366893 /nfs/dbraw/zinc/36/68/93/647366893.db2.gz MXTDSWSHOGTKDW-LLVKDONJSA-N 1 0 252.318 2.035 20 5 CEBDRO Cc1ccc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000865905616 647531255 /nfs/dbraw/zinc/53/12/55/647531255.db2.gz PYIWBMGYVZZJTP-OLZOCXBDSA-N 1 0 275.352 2.291 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000865914390 647534084 /nfs/dbraw/zinc/53/40/84/647534084.db2.gz KSLNHEBBSGJFJF-UHFFFAOYSA-N 1 0 294.311 2.033 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000866228174 647681853 /nfs/dbraw/zinc/68/18/53/647681853.db2.gz GNGAOLDVWMEGTA-SNVBAGLBSA-N 1 0 292.314 2.188 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C1CC1 ZINC000866264903 647704245 /nfs/dbraw/zinc/70/42/45/647704245.db2.gz UWJAAAVSRSOOCQ-MEBBXXQBSA-N 1 0 296.342 2.416 20 5 CEBDRO CC(C)[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267947 647706672 /nfs/dbraw/zinc/70/66/72/647706672.db2.gz JIGPHFNUTHHWFP-QMTHXVAHSA-N 1 0 284.331 2.271 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC2)cc1Cl ZINC000783596206 647734922 /nfs/dbraw/zinc/73/49/22/647734922.db2.gz HZPLOKZKFPXPIZ-SNVBAGLBSA-N 1 0 270.716 2.374 20 5 CEBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783601847 647735601 /nfs/dbraw/zinc/73/56/01/647735601.db2.gz UWKGGDANYRJJOM-VIFPVBQESA-N 1 0 295.730 2.018 20 5 CEBDRO C[C@@H](O)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866349855 647750098 /nfs/dbraw/zinc/75/00/98/647750098.db2.gz PTCDFSKSXCYXPY-WDEREUQCSA-N 1 0 284.331 2.416 20 5 CEBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866396811 647772071 /nfs/dbraw/zinc/77/20/71/647772071.db2.gz AAPAPUFRWTVJCE-OASPWFOLSA-N 1 0 282.315 2.432 20 5 CEBDRO COCCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121120693 647834886 /nfs/dbraw/zinc/83/48/86/647834886.db2.gz BVBZSCXXRQLMPD-UHFFFAOYSA-N 1 0 292.339 2.179 20 5 CEBDRO C[C@@H]1CCC[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956703 648001002 /nfs/dbraw/zinc/00/10/02/648001002.db2.gz SDDOCIDSSUTYFP-WDBKCZKBSA-N 1 0 291.351 2.074 20 5 CEBDRO Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868008163 648019643 /nfs/dbraw/zinc/01/96/43/648019643.db2.gz GTGJLJADJBPOHP-NSHDSACASA-N 1 0 291.351 2.021 20 5 CEBDRO CC[S@@](=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000786811450 648046497 /nfs/dbraw/zinc/04/64/97/648046497.db2.gz DBDYHBVRBRVNRP-RGFVMQALSA-N 1 0 296.392 2.356 20 5 CEBDRO C[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000786927100 648056687 /nfs/dbraw/zinc/05/66/87/648056687.db2.gz NPDBXGBSELYVEQ-QMMMGPOBSA-N 1 0 292.257 2.474 20 5 CEBDRO CC(C)[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788591519 648205406 /nfs/dbraw/zinc/20/54/06/648205406.db2.gz YXBMEPRCMJFPQD-LLVKDONJSA-N 1 0 280.372 2.168 20 5 CEBDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000791564907 648543824 /nfs/dbraw/zinc/54/38/24/648543824.db2.gz BOYWTISUHRMPNS-BREBYQMCSA-N 1 0 250.298 2.111 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC23CCC3)c1 ZINC000872250079 649328456 /nfs/dbraw/zinc/32/84/56/649328456.db2.gz FPQBBANYSBPEEN-OLZOCXBDSA-N 1 0 262.309 2.160 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCOC1 ZINC000873046388 649542239 /nfs/dbraw/zinc/54/22/39/649542239.db2.gz LGRDAGIWRDHWCM-LBPRGKRZSA-N 1 0 264.325 2.480 20 5 CEBDRO Cc1c(C[NH2+]CCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873048935 649544268 /nfs/dbraw/zinc/54/42/68/649544268.db2.gz SBCVWPRMUDBJFQ-CYBMUJFWSA-N 1 0 294.351 2.046 20 5 CEBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058572 649546214 /nfs/dbraw/zinc/54/62/14/649546214.db2.gz QQBBSNSSQUMRQT-BXUZGUMPSA-N 1 0 298.408 2.414 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000873063156 649547258 /nfs/dbraw/zinc/54/72/58/649547258.db2.gz MAYOSBMFJWGURQ-SWLSCSKDSA-N 1 0 278.352 2.462 20 5 CEBDRO Cc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000878317814 651064969 /nfs/dbraw/zinc/06/49/69/651064969.db2.gz SGDSOZQQVWWSME-LBPRGKRZSA-N 1 0 263.341 2.039 20 5 CEBDRO Cc1ccc(C[N@@H+](CCOCCO)C(C)C)cc1[N+](=O)[O-] ZINC000878567677 651132446 /nfs/dbraw/zinc/13/24/46/651132446.db2.gz CFLAFKCKDRXVLK-UHFFFAOYSA-N 1 0 296.367 2.123 20 5 CEBDRO CCO[C@H]1C[C@H](N(C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253570 651151539 /nfs/dbraw/zinc/15/15/39/651151539.db2.gz FQGIVYYRLAWCSY-RYUDHWBXSA-N 1 0 294.355 2.028 20 5 CEBDRO CO[C@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317197 651282943 /nfs/dbraw/zinc/28/29/43/651282943.db2.gz CCFORZKCKUOOOA-WFASDCNBSA-N 1 0 294.351 2.473 20 5 CEBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322118 651285310 /nfs/dbraw/zinc/28/53/10/651285310.db2.gz QIWACLORZUXHNU-KCPJHIHWSA-N 1 0 294.351 2.128 20 5 CEBDRO CC1(F)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879381970 651295275 /nfs/dbraw/zinc/29/52/75/651295275.db2.gz NWJOIYVYCFPUEC-ZDUSSCGKSA-N 1 0 282.315 2.452 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880143052 651391717 /nfs/dbraw/zinc/39/17/17/651391717.db2.gz XPIVPANLGSKLGQ-ZIAGYGMSSA-N 1 0 293.342 2.402 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148920 651393400 /nfs/dbraw/zinc/39/34/00/651393400.db2.gz PUSYCOMLCCENAI-LBPRGKRZSA-N 1 0 294.351 2.196 20 5 CEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880300226 651419867 /nfs/dbraw/zinc/41/98/67/651419867.db2.gz PQUVUKCQLQVLMD-SNVBAGLBSA-N 1 0 296.298 2.173 20 5 CEBDRO Cc1noc(C[NH2+][C@@H]2CCC[C@]23CCCO3)c1[N+](=O)[O-] ZINC000880499800 651451155 /nfs/dbraw/zinc/45/11/55/651451155.db2.gz UWZIZQDXNPPICJ-YPMHNXCESA-N 1 0 281.312 2.083 20 5 CEBDRO CC(=O)c1c(NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000881843537 651899855 /nfs/dbraw/zinc/89/98/55/651899855.db2.gz GWCPCPXMMSAYJA-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882032051 651942834 /nfs/dbraw/zinc/94/28/34/651942834.db2.gz AGYKYEGWYXTRBM-NSHDSACASA-N 1 0 296.346 2.297 20 5 CEBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882383163 652052618 /nfs/dbraw/zinc/05/26/18/652052618.db2.gz NLHSWDZKQYEXGY-SECBINFHSA-N 1 0 270.308 2.270 20 5 CEBDRO CC(=O)c1c(NC[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882391954 652056523 /nfs/dbraw/zinc/05/65/23/652056523.db2.gz FTVSSCYMFXLFJI-JTQLQIEISA-N 1 0 279.340 2.407 20 5 CEBDRO CC1(C)CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000130340490 652243184 /nfs/dbraw/zinc/24/31/84/652243184.db2.gz JBWRQXZCSOPPRZ-UHFFFAOYSA-N 1 0 286.335 2.331 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000882959025 652289581 /nfs/dbraw/zinc/28/95/81/652289581.db2.gz SAKPUZQSKCAQLA-LLVKDONJSA-N 1 0 294.355 2.283 20 5 CEBDRO CC1([NH+]2CCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000882964180 652294631 /nfs/dbraw/zinc/29/46/31/652294631.db2.gz VKLAARGNWZZTBF-UHFFFAOYSA-N 1 0 282.369 2.116 20 5 CEBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000883181894 652392125 /nfs/dbraw/zinc/39/21/25/652392125.db2.gz NGAZQNJHWAVYQA-UKRRQHHQSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883356124 652440492 /nfs/dbraw/zinc/44/04/92/652440492.db2.gz GQOKDKFQVCYGML-BXUZGUMPSA-N 1 0 275.352 2.266 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000884244555 652764875 /nfs/dbraw/zinc/76/48/75/652764875.db2.gz HITNFGRCHVGLRG-VXGBXAGGSA-N 1 0 291.351 2.021 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[NH2+]CC2)c1C ZINC000884265697 652773674 /nfs/dbraw/zinc/77/36/74/652773674.db2.gz QRMBXBGXTZTOOB-LBPRGKRZSA-N 1 0 291.351 2.084 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000134757792 652873087 /nfs/dbraw/zinc/87/30/87/652873087.db2.gz LLAAHJCTHJVTEL-TZMCWYRMSA-N 1 0 262.309 2.327 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000216143709 652967895 /nfs/dbraw/zinc/96/78/95/652967895.db2.gz JIMVPMKKUZADCQ-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001164642314 719168656 /nfs/dbraw/zinc/16/86/56/719168656.db2.gz XJDBMFKOCUGGMF-IUCAKERBSA-N 1 0 284.747 2.172 20 5 CEBDRO Cc1cnc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078625727 719329442 /nfs/dbraw/zinc/32/94/42/719329442.db2.gz DUEAHSVYSZGNPP-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1c(C)c(N2CC[NH+](CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC001164654332 719334569 /nfs/dbraw/zinc/33/45/69/719334569.db2.gz NPEWGKJEVIADOI-UHFFFAOYSA-N 1 0 292.383 2.385 20 5 CEBDRO CC[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762890 805725495 /nfs/dbraw/zinc/72/54/95/805725495.db2.gz DVHFKHXVVXXMJQ-ZDUSSCGKSA-N 1 0 250.298 2.458 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000300570173 806507284 /nfs/dbraw/zinc/50/72/84/806507284.db2.gz DWWQSYYWRGZRDP-ZANVPECISA-N 1 0 268.288 2.391 20 5 CEBDRO CC/C(C)=C/C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126752066 806517202 /nfs/dbraw/zinc/51/72/02/806517202.db2.gz LZENDTIZYARGDE-ZRDIBKRKSA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160412225 806869843 /nfs/dbraw/zinc/86/98/43/806869843.db2.gz BPKZZIONBZSYSK-SECBINFHSA-N 1 0 299.758 2.318 20 5 CEBDRO C[N+](C)(C)CCO[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001224773260 806949746 /nfs/dbraw/zinc/94/97/46/806949746.db2.gz GUSLCMGKOPHFRA-IYBDPMFKSA-N 1 0 264.389 2.457 20 5 CEBDRO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135110602 803156050 /nfs/dbraw/zinc/15/60/50/803156050.db2.gz PKWXFTTVLFHCMB-GFCCVEGCSA-N 1 0 291.351 2.258 20 5 CEBDRO Cc1cccc(CO[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001217859812 803474367 /nfs/dbraw/zinc/47/43/67/803474367.db2.gz HKHKFSCROFFFAL-LBPRGKRZSA-N 1 0 250.298 2.172 20 5 CEBDRO Cc1ccc(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217977181 803523167 /nfs/dbraw/zinc/52/31/67/803523167.db2.gz MPURQNLEBWOYOW-DGCLKSJQSA-N 1 0 268.288 2.372 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000694622258 803574318 /nfs/dbraw/zinc/57/43/18/803574318.db2.gz LHBJANRMHWBCJA-FAAHXZRKSA-N 1 0 276.336 2.406 20 5 CEBDRO C[NH2+]CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167724245 803675724 /nfs/dbraw/zinc/67/57/24/803675724.db2.gz MEPFVWRUPUUVIN-UHFFFAOYSA-N 1 0 263.219 2.245 20 5 CEBDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000698567948 807247682 /nfs/dbraw/zinc/24/76/82/807247682.db2.gz DKEGLAPJSYVXRA-QPUJVOFHSA-N 1 0 274.267 2.262 20 5 CEBDRO CCC1(Nc2cc(F)cc(F)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168583084 808669423 /nfs/dbraw/zinc/66/94/23/808669423.db2.gz FXXMVAOZXRSWFP-UHFFFAOYSA-N 1 0 257.240 2.037 20 5 CEBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000700608726 809331368 /nfs/dbraw/zinc/33/13/68/809331368.db2.gz MHXVETOCFBYKCO-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702049951 809490510 /nfs/dbraw/zinc/49/05/10/809490510.db2.gz NEZWSFOOGWUPPY-GHMZBOCLSA-N 1 0 297.742 2.104 20 5 CEBDRO O=C(NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702065681 809491974 /nfs/dbraw/zinc/49/19/74/809491974.db2.gz WDLIYASCSDKGIF-UHFFFAOYSA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706499392 809827688 /nfs/dbraw/zinc/82/76/88/809827688.db2.gz LJUBFBZDHQTDFV-DTWKUNHWSA-N 1 0 297.742 2.071 20 5 CEBDRO CC[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000710630320 810001688 /nfs/dbraw/zinc/00/16/88/810001688.db2.gz AGNZILQBGIIHCV-AWEZNQCLSA-N 1 0 282.315 2.471 20 5 CEBDRO CN(CC[NH3+])c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001163690717 810165205 /nfs/dbraw/zinc/16/52/05/810165205.db2.gz SMHPKVGKJYNKKM-UHFFFAOYSA-N 1 0 280.715 2.191 20 5 CEBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001119817035 810548634 /nfs/dbraw/zinc/54/86/34/810548634.db2.gz MLFALJAVSLFMDK-UONOGXRCSA-N 1 0 282.315 2.254 20 5 CEBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871880 810561432 /nfs/dbraw/zinc/56/14/32/810561432.db2.gz HFSHQCKFMXGIBS-MRVPVSSYSA-N 1 0 271.704 2.116 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155558642 811084600 /nfs/dbraw/zinc/08/46/00/811084600.db2.gz FWLGMEWBCMMLQH-SECBINFHSA-N 1 0 294.311 2.447 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC001168976261 811305305 /nfs/dbraw/zinc/30/53/05/811305305.db2.gz CDTLWDDZJMIHNV-KWCYVHTRSA-N 1 0 275.352 2.494 20 5 CEBDRO [NH3+]Cc1ccc2ncn([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168977671 811306119 /nfs/dbraw/zinc/30/61/19/811306119.db2.gz LERJLAUXJJSLKA-NEPJUHHUSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC001168977751 811306510 /nfs/dbraw/zinc/30/65/10/811306510.db2.gz LPDKKPYDOGHLOB-JSGCOSHPSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC001168958560 811312386 /nfs/dbraw/zinc/31/23/86/811312386.db2.gz OGAXPXZZMUDASX-OCCSQVGLSA-N 1 0 266.316 2.403 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001168958014 811312855 /nfs/dbraw/zinc/31/28/55/811312855.db2.gz KXALDWAFCXEPMQ-WCQYABFASA-N 1 0 252.289 2.361 20 5 CEBDRO COC(=O)CCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168961851 811315477 /nfs/dbraw/zinc/31/54/77/811315477.db2.gz KGNDJVNPINJXAP-QWHCGFSZSA-N 1 0 286.372 2.145 20 5 CEBDRO CCOC(CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OCC ZINC001168961939 811315821 /nfs/dbraw/zinc/31/58/21/811315821.db2.gz LKHCMEFQDDVBRN-STQMWFEESA-N 1 0 288.388 2.201 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001168965287 811316822 /nfs/dbraw/zinc/31/68/22/811316822.db2.gz YZBZPNNHQMWDSR-QWRGUYRKSA-N 1 0 269.732 2.270 20 5 CEBDRO Cc1ccn2c(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cnc2c1 ZINC001168964997 811317531 /nfs/dbraw/zinc/31/75/31/811317531.db2.gz XBILMAIFISXFPT-CHWSQXEVSA-N 1 0 288.351 2.178 20 5 CEBDRO Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cnc12 ZINC001168963930 811317784 /nfs/dbraw/zinc/31/77/84/811317784.db2.gz QQEKIDHAVVJMIC-QWHCGFSZSA-N 1 0 288.351 2.178 20 5 CEBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(O)c1 ZINC001168967137 811318657 /nfs/dbraw/zinc/31/86/57/811318657.db2.gz NQCUQPBJBAZUDZ-GVXVVHGQSA-N 1 0 264.325 2.488 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC001168967604 811319342 /nfs/dbraw/zinc/31/93/42/811319342.db2.gz RDXRXPQPSMIMEB-LSDHHAIUSA-N 1 0 278.352 2.238 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001168973410 811321859 /nfs/dbraw/zinc/32/18/59/811321859.db2.gz OPVKZEWHAFDPLG-VXGBXAGGSA-N 1 0 282.315 2.369 20 5 CEBDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168997554 811326739 /nfs/dbraw/zinc/32/67/39/811326739.db2.gz DHUMMSMFJZFZSI-NWDGAFQWSA-N 1 0 279.340 2.015 20 5 CEBDRO NC(=[NH2+])N(c1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997771 811327563 /nfs/dbraw/zinc/32/75/63/811327563.db2.gz FQZKWXAQGZSLOE-BXKDBHETSA-N 1 0 296.758 2.485 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC001169007144 811331653 /nfs/dbraw/zinc/33/16/53/811331653.db2.gz LLVCANXGBXUPMI-ZBFHGGJFSA-N 1 0 289.379 2.254 20 5 CEBDRO Nc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169010206 811334425 /nfs/dbraw/zinc/33/44/25/811334425.db2.gz ZVLRCCDXASIIIQ-BXUZGUMPSA-N 1 0 275.352 2.293 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ncccc32)C1 ZINC001168986862 811335810 /nfs/dbraw/zinc/33/58/10/811335810.db2.gz FOGKOHKAKOCIIL-GYSYKLTISA-N 1 0 261.325 2.104 20 5 CEBDRO COCCc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168987478 811336176 /nfs/dbraw/zinc/33/61/76/811336176.db2.gz IYILSVFCJHXJQC-JKSUJKDBSA-N 1 0 292.379 2.411 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001168988100 811337204 /nfs/dbraw/zinc/33/72/04/811337204.db2.gz NUKUOIGVOLOTRP-MWLCHTKSSA-N 1 0 269.732 2.270 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCCCCCCO)C1 ZINC001168988329 811337296 /nfs/dbraw/zinc/33/72/96/811337296.db2.gz QWUKFQVHDAUBQB-ZIAGYGMSSA-N 1 0 272.389 2.354 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034188 811345379 /nfs/dbraw/zinc/34/53/79/811345379.db2.gz FVUWYTJMWRNJQB-YNEHKIRRSA-N 1 0 298.383 2.095 20 5 CEBDRO COc1cccc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169046825 811356354 /nfs/dbraw/zinc/35/63/54/811356354.db2.gz NNCLPQJZNUZORO-GXTWGEPZSA-N 1 0 290.363 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(-n2ncc3c2cccc3C[NH3+])n1 ZINC001169191376 811424124 /nfs/dbraw/zinc/42/41/24/811424124.db2.gz FFNXPRNJJKJJQE-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1COCCN1C ZINC001169653758 811607397 /nfs/dbraw/zinc/60/73/97/811607397.db2.gz KVWVOAHIKYPZQU-MRXNPFEDSA-N 1 0 292.447 2.025 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169717578 811641542 /nfs/dbraw/zinc/64/15/42/811641542.db2.gz DJACBGONEZTNOJ-UHFFFAOYSA-N 1 0 291.355 2.385 20 5 CEBDRO C[NH+](C)CCC(C)(C)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001169717646 811641549 /nfs/dbraw/zinc/64/15/49/811641549.db2.gz GXPXCWDWTKHJPA-UHFFFAOYSA-N 1 0 291.355 2.385 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC001170293428 812375106 /nfs/dbraw/zinc/37/51/06/812375106.db2.gz KVIRAYFPSYDKJE-VIFPVBQESA-N 1 0 250.298 2.286 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318661 812384492 /nfs/dbraw/zinc/38/44/92/812384492.db2.gz QZVPXKAKZSGHRL-VXGBXAGGSA-N 1 0 295.383 2.061 20 5 CEBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001170309385 812392848 /nfs/dbraw/zinc/39/28/48/812392848.db2.gz QGTZRIZQUCGNRB-RYUDHWBXSA-N 1 0 294.351 2.161 20 5 CEBDRO C[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C[C@H](C)[NH2+]1 ZINC001158177110 812625053 /nfs/dbraw/zinc/62/50/53/812625053.db2.gz RHWLOPKWTQBTJN-PHIMTYICSA-N 1 0 286.335 2.330 20 5 CEBDRO [NH3+]Cc1nccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895185 815542620 /nfs/dbraw/zinc/54/26/20/815542620.db2.gz ALZXJHPGDQYFLF-CYBMUJFWSA-N 1 0 286.335 2.370 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896000 815542813 /nfs/dbraw/zinc/54/28/13/815542813.db2.gz KNSHAULZDAVWOE-GDBMZVCRSA-N 1 0 292.379 2.449 20 5 CEBDRO Cc1cc(Cl)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159054865 813206655 /nfs/dbraw/zinc/20/66/55/813206655.db2.gz UQBUIPWMOUIURV-UHFFFAOYSA-N 1 0 272.736 2.125 20 5 CEBDRO CC[C@]([NH3+])(CO)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001170863174 813559785 /nfs/dbraw/zinc/55/97/85/813559785.db2.gz BQWJTZCYHRNAFD-SNVBAGLBSA-N 1 0 293.245 2.083 20 5 CEBDRO CC[C@@]([NH3+])(CO)Nc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170864991 813561286 /nfs/dbraw/zinc/56/12/86/813561286.db2.gz BKYVFVKLFBESBW-AWEZNQCLSA-N 1 0 297.355 2.160 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000754081038 814118667 /nfs/dbraw/zinc/11/86/67/814118667.db2.gz WVCLQXMMNNRTTN-GFCCVEGCSA-N 1 0 263.341 2.434 20 5 CEBDRO [NH3+]C/C=C/CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160976810 814302361 /nfs/dbraw/zinc/30/23/61/814302361.db2.gz JALZOVWHCNKBQD-OWOJBTEDSA-N 1 0 277.111 2.223 20 5 CEBDRO CC1(C)CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001161038574 814436790 /nfs/dbraw/zinc/43/67/90/814436790.db2.gz XPDDWYDPQZHXOC-JTQLQIEISA-N 1 0 291.355 2.062 20 5 CEBDRO CCC(=O)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185518 815617323 /nfs/dbraw/zinc/61/73/23/815617323.db2.gz ZSGDLQLVFFVSAH-VIFPVBQESA-N 1 0 298.314 2.242 20 5 CEBDRO Cc1c(NC[C@@H]2CCCC[NH2+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171334763 814587758 /nfs/dbraw/zinc/58/77/58/814587758.db2.gz PQAXWSDOPWCMFF-JTQLQIEISA-N 1 0 294.311 2.365 20 5 CEBDRO COc1cc(NC[C@H]2CCCC[NH2+]2)cc([N+](=O)[O-])c1C ZINC001171336086 814608392 /nfs/dbraw/zinc/60/83/92/814608392.db2.gz XCFOMYCERQJLAH-LLVKDONJSA-N 1 0 279.340 2.466 20 5 CEBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001116711234 814877571 /nfs/dbraw/zinc/87/75/71/814877571.db2.gz XQQNBWYMCGFSTI-ZDUSSCGKSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC001173218253 815625149 /nfs/dbraw/zinc/62/51/49/815625149.db2.gz PJIDHEJYARJDPX-NSHDSACASA-N 1 0 287.319 2.416 20 5 CEBDRO COCC[NH+](CCOC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223583 815627468 /nfs/dbraw/zinc/62/74/68/815627468.db2.gz BBNVFDHGAYEMRF-ZDUSSCGKSA-N 1 0 296.367 2.121 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC001173224829 815630124 /nfs/dbraw/zinc/63/01/24/815630124.db2.gz HBSBATUUNXUTPL-XJKCOSOUSA-N 1 0 291.395 2.456 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ncncc2C1 ZINC001173227013 815630607 /nfs/dbraw/zinc/63/06/07/815630607.db2.gz MBXIFRFOBKZRHI-LBPRGKRZSA-N 1 0 298.346 2.374 20 5 CEBDRO CC[N@H+](CCN(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229260 815630743 /nfs/dbraw/zinc/63/07/43/815630743.db2.gz SDBSNKTUWMZIHH-ZDUSSCGKSA-N 1 0 279.384 2.409 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC12COC2 ZINC001173228455 815631425 /nfs/dbraw/zinc/63/14/25/815631425.db2.gz XDLQRHOMRMQHQT-GFCCVEGCSA-N 1 0 276.336 2.391 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cncc2C1 ZINC001173234005 815632583 /nfs/dbraw/zinc/63/25/83/815632583.db2.gz NVNLCGWOZSVHQU-LBPRGKRZSA-N 1 0 286.335 2.238 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CCC1 ZINC001173234164 815634002 /nfs/dbraw/zinc/63/40/02/815634002.db2.gz OCKDGVRJZBPVFW-NSHDSACASA-N 1 0 264.325 2.030 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncco1 ZINC001173213084 815636569 /nfs/dbraw/zinc/63/65/69/815636569.db2.gz DPNQKUGNXHIMGR-JTQLQIEISA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149434085 816772873 /nfs/dbraw/zinc/77/28/73/816772873.db2.gz BPFYCHDMFPSDEX-RKDXNWHRSA-N 1 0 284.747 2.207 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294952375 199268234 /nfs/dbraw/zinc/26/82/34/199268234.db2.gz FLAXRNAZPABLBM-SNVBAGLBSA-N 1 0 265.313 2.230 20 5 CEBDRO C[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000124425694 187137296 /nfs/dbraw/zinc/13/72/96/187137296.db2.gz VNNZDAMOVYOQNJ-UHFFFAOYSA-N 1 0 274.324 2.313 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000449079683 282092122 /nfs/dbraw/zinc/09/21/22/282092122.db2.gz ZVHJHGVLTTYIBE-NSHDSACASA-N 1 0 274.324 2.049 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000601292315 346813969 /nfs/dbraw/zinc/81/39/69/346813969.db2.gz URTHQKYDTFDVLG-SDDRHHMPSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298504 346815136 /nfs/dbraw/zinc/81/51/36/346815136.db2.gz IXNCJIDXXWGFFQ-KCJUWKMLSA-N 1 0 274.267 2.262 20 5 CEBDRO Cc1cccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000127729060 187329555 /nfs/dbraw/zinc/32/95/55/187329555.db2.gz OCMFODHCXUQNEQ-CYBMUJFWSA-N 1 0 293.367 2.349 20 5 CEBDRO [NH3+][C@H]1CCCCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000601324119 346820601 /nfs/dbraw/zinc/82/06/01/346820601.db2.gz JIXUILUPCLBFHF-ZDUSSCGKSA-N 1 0 293.367 2.177 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601327994 346822038 /nfs/dbraw/zinc/82/20/38/346822038.db2.gz CINNFBVZYCADAI-RISCZKNCSA-N 1 0 295.770 2.480 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000601329213 346822325 /nfs/dbraw/zinc/82/23/25/346822325.db2.gz HHWCSKNOGNPZDM-WCQYABFASA-N 1 0 293.367 2.304 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449194159 282138263 /nfs/dbraw/zinc/13/82/63/282138263.db2.gz OQHCQDWTGJUOSK-WCQYABFASA-N 1 0 266.341 2.276 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738349 361925600 /nfs/dbraw/zinc/92/56/00/361925600.db2.gz PMARLHZKPRKDBT-MNOVXSKESA-N 1 0 250.298 2.282 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751759 361928978 /nfs/dbraw/zinc/92/89/78/361928978.db2.gz ANRAAQMQDRQAQG-LLVKDONJSA-N 1 0 279.340 2.032 20 5 CEBDRO O=C(CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000567694004 299077386 /nfs/dbraw/zinc/07/73/86/299077386.db2.gz FJXGGIBPLLIONB-ZSBIGDGJSA-N 1 0 289.335 2.312 20 5 CEBDRO CC1CC[NH+](CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000040772192 361997375 /nfs/dbraw/zinc/99/73/75/361997375.db2.gz UDIPRVXYTURXMN-UHFFFAOYSA-N 1 0 283.397 2.478 20 5 CEBDRO CC1CC[NH+](CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000040771697 361997462 /nfs/dbraw/zinc/99/74/62/361997462.db2.gz RHCSJTSBGAHSAA-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000449284190 282171442 /nfs/dbraw/zinc/17/14/42/282171442.db2.gz OIFZFKHXJPOQRR-KOLCDFICSA-N 1 0 288.294 2.132 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)CC[NH+](C)C ZINC000080607169 344016352 /nfs/dbraw/zinc/01/63/52/344016352.db2.gz PKIFXBVRUNTNSG-LLVKDONJSA-N 1 0 281.356 2.493 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCCOC1 ZINC000449332543 282190482 /nfs/dbraw/zinc/19/04/82/282190482.db2.gz RWRAWDBTVLNNRY-GFCCVEGCSA-N 1 0 276.336 2.462 20 5 CEBDRO CCc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000174233255 529604273 /nfs/dbraw/zinc/60/42/73/529604273.db2.gz ZKKRZNDNJQSBQZ-UHFFFAOYSA-N 1 0 293.367 2.227 20 5 CEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000041926624 362053257 /nfs/dbraw/zinc/05/32/57/362053257.db2.gz RODWJFKTTJVLMW-UHFFFAOYSA-N 1 0 279.340 2.055 20 5 CEBDRO COc1ccc(C[N@H+](C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000449423923 282230429 /nfs/dbraw/zinc/23/04/29/282230429.db2.gz OOOOHVPZLGVWPG-UHFFFAOYSA-N 1 0 282.340 2.054 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000449419778 282228327 /nfs/dbraw/zinc/22/83/27/282228327.db2.gz HYFQBWWHCPWBTG-ZFWWWQNUSA-N 1 0 278.352 2.496 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000031825834 343410791 /nfs/dbraw/zinc/41/07/91/343410791.db2.gz YPOIHVMEZFDEII-GFCCVEGCSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032662877 343414632 /nfs/dbraw/zinc/41/46/32/343414632.db2.gz XPNOHLZXZATDJY-GFCCVEGCSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000127894125 187339476 /nfs/dbraw/zinc/33/94/76/187339476.db2.gz GJGWZUYYLUWUIO-UHFFFAOYSA-N 1 0 277.324 2.361 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000449506795 282262863 /nfs/dbraw/zinc/26/28/63/282262863.db2.gz LGAUOVGVOFTJEW-JKSUJKDBSA-N 1 0 290.363 2.482 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000449517400 282269030 /nfs/dbraw/zinc/26/90/30/282269030.db2.gz KBUDOIXXWOJVQJ-DURLZJIISA-N 1 0 287.363 2.244 20 5 CEBDRO Cc1cc(OCc2nc(C(C)(C)[NH3+])no2)ccc1[N+](=O)[O-] ZINC000043402659 343463710 /nfs/dbraw/zinc/46/37/10/343463710.db2.gz WLSVMKUOPSNAEN-UHFFFAOYSA-N 1 0 292.295 2.059 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000294994609 199290197 /nfs/dbraw/zinc/29/01/97/199290197.db2.gz HYDNRSFHRKSPKL-KOLCDFICSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444301 343499376 /nfs/dbraw/zinc/49/93/76/343499376.db2.gz JVHOASRTMNMORA-JSGCOSHPSA-N 1 0 294.351 2.209 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@H](C)O ZINC000449543719 282278074 /nfs/dbraw/zinc/27/80/74/282278074.db2.gz OTCLNRAJSNYSMO-GWCFXTLKSA-N 1 0 282.340 2.243 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCC[NH2+]CC3)c21 ZINC000601985515 346950622 /nfs/dbraw/zinc/95/06/22/346950622.db2.gz XVZGFHLPPVNOSQ-SNVBAGLBSA-N 1 0 287.323 2.092 20 5 CEBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000295057295 199322768 /nfs/dbraw/zinc/32/27/68/199322768.db2.gz NZEFFWYHBIJCTI-AWEZNQCLSA-N 1 0 293.367 2.187 20 5 CEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449583575 282292524 /nfs/dbraw/zinc/29/25/24/282292524.db2.gz BOUYLBWCFPIRBQ-SFYZADRCSA-N 1 0 293.348 2.275 20 5 CEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000066139596 343708267 /nfs/dbraw/zinc/70/82/67/343708267.db2.gz ZCTMRMCUVOICOD-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000351517424 219111983 /nfs/dbraw/zinc/11/19/83/219111983.db2.gz NULVNGVITFLDKA-HUUCEWRRSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000602133271 346980808 /nfs/dbraw/zinc/98/08/08/346980808.db2.gz QXYGZKIREHKFGO-RISCZKNCSA-N 1 0 291.351 2.256 20 5 CEBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000072947623 343816599 /nfs/dbraw/zinc/81/65/99/343816599.db2.gz BZIORQQRGBAIET-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000048336384 362258072 /nfs/dbraw/zinc/25/80/72/362258072.db2.gz QVDHAMZWHNTADB-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)C1 ZINC000048417261 362268073 /nfs/dbraw/zinc/26/80/73/362268073.db2.gz WGTHMNLIZGWSDD-MFKMUULPSA-N 1 0 250.298 2.113 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000078563053 343957196 /nfs/dbraw/zinc/95/71/96/343957196.db2.gz UNITZBGZAZEVDE-CYBMUJFWSA-N 1 0 292.383 2.466 20 5 CEBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000090910075 344146407 /nfs/dbraw/zinc/14/64/07/344146407.db2.gz XGQLBOFCJBIBAT-LLVKDONJSA-N 1 0 272.308 2.278 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000117179795 344288826 /nfs/dbraw/zinc/28/88/26/344288826.db2.gz ZRXQZOORRJAESI-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000122627702 344307548 /nfs/dbraw/zinc/30/75/48/344307548.db2.gz LACASCSUUMVZQG-ZWNOBZJWSA-N 1 0 292.339 2.186 20 5 CEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132572943 344364513 /nfs/dbraw/zinc/36/45/13/344364513.db2.gz ZIAUBXFSDAAESB-NSHDSACASA-N 1 0 297.742 2.120 20 5 CEBDRO Cc1nc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000273194807 192071531 /nfs/dbraw/zinc/07/15/31/192071531.db2.gz DJKKZZIZXZOUHB-LBPRGKRZSA-N 1 0 292.383 2.465 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209512635 344530630 /nfs/dbraw/zinc/53/06/30/344530630.db2.gz BZQPIINOPZGVBT-PELKAZGASA-N 1 0 267.716 2.046 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000050163078 362407284 /nfs/dbraw/zinc/40/72/84/362407284.db2.gz YHGLPXGVXAFVSY-NWDGAFQWSA-N 1 0 291.351 2.021 20 5 CEBDRO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000225725537 344547306 /nfs/dbraw/zinc/54/73/06/344547306.db2.gz SVXTZSBHNKIPJV-JQWIXIFHSA-N 1 0 262.313 2.029 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CCSC2)cc1 ZINC000226380295 344549544 /nfs/dbraw/zinc/54/95/44/344549544.db2.gz OOOVSFLEQPJWKQ-LLVKDONJSA-N 1 0 282.365 2.316 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236736631 344597097 /nfs/dbraw/zinc/59/70/97/344597097.db2.gz PFTFXASFRBHCQV-DGCLKSJQSA-N 1 0 293.367 2.454 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051895576 362446524 /nfs/dbraw/zinc/44/65/24/362446524.db2.gz OCVNZAOHFFTDTE-LBPRGKRZSA-N 1 0 264.325 2.189 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC[C@H]2O)cs1 ZINC000052001314 362458652 /nfs/dbraw/zinc/45/86/52/362458652.db2.gz JJZMBCHRDJIKKN-VHSXEESVSA-N 1 0 256.327 2.049 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286077769 344679374 /nfs/dbraw/zinc/67/93/74/344679374.db2.gz MDHKIOYXEBKMOU-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO COc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000315022020 344747222 /nfs/dbraw/zinc/74/72/22/344747222.db2.gz YUBWYNBXOBHMLQ-TXEJJXNPSA-N 1 0 291.351 2.039 20 5 CEBDRO C[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000411144812 530053884 /nfs/dbraw/zinc/05/38/84/530053884.db2.gz ATEAKYXKHIEPLC-UHFFFAOYSA-N 1 0 283.759 2.386 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CCO)CCC2)cc1 ZINC000602569338 347082411 /nfs/dbraw/zinc/08/24/11/347082411.db2.gz QCGKGALDKRLNJB-UHFFFAOYSA-N 1 0 278.352 2.280 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602574696 347083871 /nfs/dbraw/zinc/08/38/71/347083871.db2.gz YNUNDLLSINMLLI-NWDGAFQWSA-N 1 0 291.351 2.000 20 5 CEBDRO CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449780884 282364939 /nfs/dbraw/zinc/36/49/39/282364939.db2.gz GUTOJVITGRTRPO-GXTWGEPZSA-N 1 0 292.335 2.157 20 5 CEBDRO CCC[N@H+](CC)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401171968 344867237 /nfs/dbraw/zinc/86/72/37/344867237.db2.gz UAHHUWRKTWEKGW-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401228018 344867743 /nfs/dbraw/zinc/86/77/43/344867743.db2.gz YUERJGCYRIMOMJ-SNVBAGLBSA-N 1 0 282.319 2.415 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC000584745669 344982771 /nfs/dbraw/zinc/98/27/71/344982771.db2.gz PNTMRLPQPNRLSA-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071893 345037536 /nfs/dbraw/zinc/03/75/36/345037536.db2.gz NJIXMNMFUCIGPC-NWDGAFQWSA-N 1 0 276.340 2.053 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000588817906 345056061 /nfs/dbraw/zinc/05/60/61/345056061.db2.gz DHGXQBBMRZAMPS-GFCCVEGCSA-N 1 0 293.371 2.016 20 5 CEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057156376 362572164 /nfs/dbraw/zinc/57/21/64/362572164.db2.gz SQRXFXFYZPINIV-LLVKDONJSA-N 1 0 297.355 2.428 20 5 CEBDRO CC1(C)COC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590761759 345176604 /nfs/dbraw/zinc/17/66/04/345176604.db2.gz WYTUVUMZGFEURG-CQSZACIVSA-N 1 0 294.351 2.378 20 5 CEBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590403358 345133838 /nfs/dbraw/zinc/13/38/38/345133838.db2.gz QOGYMTRESLSRJE-WCQYABFASA-N 1 0 291.351 2.068 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243927 345233925 /nfs/dbraw/zinc/23/39/25/345233925.db2.gz XMNDYJSINDKEFD-VXGBXAGGSA-N 1 0 291.351 2.080 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCCC[NH2+]1 ZINC000591275623 345236575 /nfs/dbraw/zinc/23/65/75/345236575.db2.gz LGXGRHIAOSHVPB-BRLPQQTGSA-N 1 0 275.352 2.340 20 5 CEBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cs1 ZINC000591282602 345237143 /nfs/dbraw/zinc/23/71/43/345237143.db2.gz CJFPCHAJPZGLOD-LLVKDONJSA-N 1 0 281.381 2.421 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282641 345237574 /nfs/dbraw/zinc/23/75/74/345237574.db2.gz JRBAVSRYXVSLER-CYBMUJFWSA-N 1 0 275.352 2.359 20 5 CEBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)c(F)c1 ZINC000591138779 345223697 /nfs/dbraw/zinc/22/36/97/345223697.db2.gz QLCBZDGEDPMRKO-UHFFFAOYSA-N 1 0 282.319 2.417 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC[C@@H]1CCOC1)CC2 ZINC000592097771 345321314 /nfs/dbraw/zinc/32/13/14/345321314.db2.gz KREVEDXPQGBYPK-GFCCVEGCSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374395 345346808 /nfs/dbraw/zinc/34/68/08/345346808.db2.gz DTJSUWNEFWYGCG-WCQYABFASA-N 1 0 296.367 2.490 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000592437243 345353350 /nfs/dbraw/zinc/35/33/50/345353350.db2.gz DGXTVCLJJGGWSL-AWEZNQCLSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1c(CN2CC[NH2+][C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592485066 345359614 /nfs/dbraw/zinc/35/96/14/345359614.db2.gz PZNYNWHHJSUIBX-CQSZACIVSA-N 1 0 277.368 2.333 20 5 CEBDRO CC(C)([NH3+])CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000592533401 345368815 /nfs/dbraw/zinc/36/88/15/345368815.db2.gz FQKKJCCFBMEMJO-UHFFFAOYSA-N 1 0 277.324 2.001 20 5 CEBDRO Cc1cc(C(=O)N2CCCCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000602578230 347086248 /nfs/dbraw/zinc/08/62/48/347086248.db2.gz LUWZSOYRWBFADL-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2cnn(C[C@H]3CC[NH2+]C3)c2)cc1 ZINC000592158508 345332770 /nfs/dbraw/zinc/33/27/70/345332770.db2.gz JUMKLUOXOSGXIZ-NSHDSACASA-N 1 0 272.308 2.068 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592753609 345393173 /nfs/dbraw/zinc/39/31/73/345393173.db2.gz YTCCZIAFUJYFJL-JTNHKYCSSA-N 1 0 291.351 2.112 20 5 CEBDRO Cc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593316084 345465363 /nfs/dbraw/zinc/46/53/63/345465363.db2.gz REZRGDAGRDMDBU-HOCLYGCPSA-N 1 0 289.379 2.464 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CCO ZINC000593694738 345523104 /nfs/dbraw/zinc/52/31/04/345523104.db2.gz RBTGXXJYXGXGSQ-LLVKDONJSA-N 1 0 252.314 2.106 20 5 CEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593884608 345548216 /nfs/dbraw/zinc/54/82/16/345548216.db2.gz TYUWYEWJTGVDKV-UHFFFAOYSA-N 1 0 291.351 2.153 20 5 CEBDRO CN(C)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594515062 345642079 /nfs/dbraw/zinc/64/20/79/345642079.db2.gz DTUABFPRSZCITP-ZDUSSCGKSA-N 1 0 275.352 2.266 20 5 CEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000059035239 362645634 /nfs/dbraw/zinc/64/56/34/362645634.db2.gz PPEGOUDLZCMTKM-UHFFFAOYSA-N 1 0 253.277 2.240 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCC[C@H]2CCO2)c1 ZINC000602580365 347087137 /nfs/dbraw/zinc/08/71/37/347087137.db2.gz MUPSJXWROMDGPY-AWEZNQCLSA-N 1 0 264.325 2.296 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000594736088 345681931 /nfs/dbraw/zinc/68/19/31/345681931.db2.gz PGMDGDXECKLAAB-VHDGCEQUSA-N 1 0 289.379 2.258 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069917 345739543 /nfs/dbraw/zinc/73/95/43/345739543.db2.gz TVDXAZLKZLOOTJ-QWRGUYRKSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595232903 345746885 /nfs/dbraw/zinc/74/68/85/345746885.db2.gz DJNGXTYDRDTYOR-GFCCVEGCSA-N 1 0 294.355 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594927170 345705197 /nfs/dbraw/zinc/70/51/97/345705197.db2.gz YUEUCEAPSZEXPN-UHFFFAOYSA-N 1 0 272.308 2.027 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000594970795 345719676 /nfs/dbraw/zinc/71/96/76/345719676.db2.gz NICCYKCTDYEKEV-NSHDSACASA-N 1 0 272.251 2.109 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)[NH+](C)C ZINC000595012073 345726985 /nfs/dbraw/zinc/72/69/85/345726985.db2.gz NDBFUOSPMSIVEJ-GHMZBOCLSA-N 1 0 281.356 2.204 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000595032050 345731585 /nfs/dbraw/zinc/73/15/85/345731585.db2.gz GJQWBLCZJGCKFH-LLVKDONJSA-N 1 0 294.351 2.417 20 5 CEBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595553542 345811307 /nfs/dbraw/zinc/81/13/07/345811307.db2.gz XQNHXLHGDHYVSB-MNOVXSKESA-N 1 0 282.315 2.184 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443488 345783953 /nfs/dbraw/zinc/78/39/53/345783953.db2.gz ATJZIINVYMXYEO-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595689305 345849877 /nfs/dbraw/zinc/84/98/77/345849877.db2.gz PBSHTIPPJHTZAU-GASCZTMLSA-N 1 0 276.336 2.453 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595847573 345898022 /nfs/dbraw/zinc/89/80/22/345898022.db2.gz HJAFRTKDIDMKDD-BETUJISGSA-N 1 0 292.335 2.287 20 5 CEBDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595848022 345898101 /nfs/dbraw/zinc/89/81/01/345898101.db2.gz KTWOQJZOZGVQCH-XBXGTLAGSA-N 1 0 292.335 2.021 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(C)CO ZINC000595871961 345902723 /nfs/dbraw/zinc/90/27/23/345902723.db2.gz JEWNRYJPBLGZLI-IINYFYTJSA-N 1 0 282.315 2.184 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)[NH3+] ZINC000595903332 345910901 /nfs/dbraw/zinc/91/09/01/345910901.db2.gz VJSFIGSFNSFILB-JTQLQIEISA-N 1 0 251.330 2.325 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC2CC1(C[NH3+])C2 ZINC000595903064 345911111 /nfs/dbraw/zinc/91/11/11/345911111.db2.gz GYNGKJIAYWTKHN-XIKARTHZSA-N 1 0 275.352 2.387 20 5 CEBDRO Cc1cccc(NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596086608 345936546 /nfs/dbraw/zinc/93/65/46/345936546.db2.gz UALYTILFHQOUSJ-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596090920 345938104 /nfs/dbraw/zinc/93/81/04/345938104.db2.gz SCEWYWUYGPONAG-SECBINFHSA-N 1 0 295.314 2.391 20 5 CEBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596104745 345940585 /nfs/dbraw/zinc/94/05/85/345940585.db2.gz MUFRHLDXMXCIRP-JTQLQIEISA-N 1 0 298.412 2.013 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596122700 345944570 /nfs/dbraw/zinc/94/45/70/345944570.db2.gz BFOCEWOPVPSBIQ-AWEZNQCLSA-N 1 0 292.339 2.031 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596124470 345945355 /nfs/dbraw/zinc/94/53/55/345945355.db2.gz XOXWHDWQYLJQAV-CQSZACIVSA-N 1 0 292.339 2.085 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NCC[C@@H](C)[NH+](C)C ZINC000596431040 346021779 /nfs/dbraw/zinc/02/17/79/346021779.db2.gz MISBGJSHKSYYHU-SNVBAGLBSA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCO ZINC000449186747 260285504 /nfs/dbraw/zinc/28/55/04/260285504.db2.gz JVNPTHJKVWWTLP-NWDGAFQWSA-N 1 0 266.341 2.276 20 5 CEBDRO Cc1sc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597998092 346265773 /nfs/dbraw/zinc/26/57/73/346265773.db2.gz OZGCGGLUZRPOFV-QMMMGPOBSA-N 1 0 285.369 2.035 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCCC1 ZINC000060847467 362669925 /nfs/dbraw/zinc/66/99/25/362669925.db2.gz CVUIJEHSYPXDDH-UHFFFAOYSA-N 1 0 253.277 2.242 20 5 CEBDRO [NH3+]CC1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000314492319 201927566 /nfs/dbraw/zinc/92/75/66/201927566.db2.gz CLPWPAWLDDULLO-UHFFFAOYSA-N 1 0 291.351 2.090 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000599008170 346445611 /nfs/dbraw/zinc/44/56/11/346445611.db2.gz VKFJOUJQFXVXAS-DKTWLAJQSA-N 1 0 270.716 2.109 20 5 CEBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598996330 346443951 /nfs/dbraw/zinc/44/39/51/346443951.db2.gz GJADOTGOXSXCQH-OLZOCXBDSA-N 1 0 250.298 2.252 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599082365 346457313 /nfs/dbraw/zinc/45/73/13/346457313.db2.gz PZWXHMABLUHDTE-UTUOFQBUSA-N 1 0 264.325 2.325 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12CCC2 ZINC000602596208 347093417 /nfs/dbraw/zinc/09/34/17/347093417.db2.gz NOAJUVIJWBJIPK-LLVKDONJSA-N 1 0 278.356 2.340 20 5 CEBDRO CC[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178484 346473784 /nfs/dbraw/zinc/47/37/84/346473784.db2.gz HMXBQRNJJYZSKG-DTWKUNHWSA-N 1 0 284.747 2.220 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCSCC2)c1 ZINC000129023279 365819381 /nfs/dbraw/zinc/81/93/81/365819381.db2.gz FDERTXCRLKDRQZ-CYBMUJFWSA-N 1 0 282.365 2.067 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000063191971 362755697 /nfs/dbraw/zinc/75/56/97/362755697.db2.gz RRLCLVSPXKEXSC-GXSJLCMTSA-N 1 0 269.370 2.358 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+]C12CCC2 ZINC000600676029 346671394 /nfs/dbraw/zinc/67/13/94/346671394.db2.gz ROSXWQGHVKGVQZ-GFCCVEGCSA-N 1 0 277.324 2.300 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1C(C)C ZINC000600713549 346675814 /nfs/dbraw/zinc/67/58/14/346675814.db2.gz BWIJDXHSITVSNZ-CQSZACIVSA-N 1 0 293.367 2.033 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600777088 346688621 /nfs/dbraw/zinc/68/86/21/346688621.db2.gz YUDAVONSQQLJQU-IYBDPMFKSA-N 1 0 289.379 2.335 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000601116373 346756984 /nfs/dbraw/zinc/75/69/84/346756984.db2.gz RYNGXHJTRAARQX-LBPRGKRZSA-N 1 0 294.330 2.194 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000601189570 346781513 /nfs/dbraw/zinc/78/15/13/346781513.db2.gz SHDWCGDDCQIDDT-GFCCVEGCSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814624 365856840 /nfs/dbraw/zinc/85/68/40/365856840.db2.gz XPYWANCBCZLWIA-MWLCHTKSSA-N 1 0 268.288 2.391 20 5 CEBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](C2CC2)CC1 ZINC000601101758 346753629 /nfs/dbraw/zinc/75/36/29/346753629.db2.gz SHCKEGAGQUMNOB-UHFFFAOYSA-N 1 0 280.303 2.168 20 5 CEBDRO C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000601228583 346796224 /nfs/dbraw/zinc/79/62/24/346796224.db2.gz PHAXIZPPEDERNX-UHFFFAOYSA-N 1 0 292.339 2.153 20 5 CEBDRO CC[C@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602637702 347117027 /nfs/dbraw/zinc/11/70/27/347117027.db2.gz PFDWBUZZDKTIRT-CQSZACIVSA-N 1 0 292.339 2.376 20 5 CEBDRO C[C@@H](F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602673994 347135908 /nfs/dbraw/zinc/13/59/08/347135908.db2.gz FTLUWFSHOZHIQN-LLVKDONJSA-N 1 0 296.346 2.296 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H](O)C(F)(F)F)cc1 ZINC000602658487 347127774 /nfs/dbraw/zinc/12/77/74/347127774.db2.gz YWKMKOGLFCAGLU-LLVKDONJSA-N 1 0 292.257 2.040 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000602773329 347192549 /nfs/dbraw/zinc/19/25/49/347192549.db2.gz NTALVVZHYURCBL-ZDUSSCGKSA-N 1 0 278.356 2.364 20 5 CEBDRO CCN(C#N)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602801277 347204822 /nfs/dbraw/zinc/20/48/22/347204822.db2.gz MSTZVOYKMDJHKC-NSHDSACASA-N 1 0 262.313 2.048 20 5 CEBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801121 347205162 /nfs/dbraw/zinc/20/51/62/347205162.db2.gz ZZVMGRRNCHCMGV-KOLCDFICSA-N 1 0 252.318 2.091 20 5 CEBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810781 347208924 /nfs/dbraw/zinc/20/89/24/347208924.db2.gz JCRMVAHKEQNNEQ-CKYFFXLPSA-N 1 0 266.345 2.243 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCCC1 ZINC000602811978 347210121 /nfs/dbraw/zinc/21/01/21/347210121.db2.gz QYHNBDVKHNUTQA-JTQLQIEISA-N 1 0 266.345 2.268 20 5 CEBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814426 347211180 /nfs/dbraw/zinc/21/11/80/347211180.db2.gz ARDHKQNBTPQUGJ-QWHCGFSZSA-N 1 0 296.371 2.012 20 5 CEBDRO CCC[C@@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732116 347175876 /nfs/dbraw/zinc/17/58/76/347175876.db2.gz OGRDKDQNXDLJMS-LSDHHAIUSA-N 1 0 296.367 2.207 20 5 CEBDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602761002 347187801 /nfs/dbraw/zinc/18/78/01/347187801.db2.gz SSIFYDFOFOMEGM-VXGBXAGGSA-N 1 0 264.325 2.452 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000602764268 347188731 /nfs/dbraw/zinc/18/87/31/347188731.db2.gz VTIWKFBLYGMUPO-JTQLQIEISA-N 1 0 278.356 2.363 20 5 CEBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602832693 347217355 /nfs/dbraw/zinc/21/73/55/347217355.db2.gz VRCLHMJNQBMAMB-WDEREUQCSA-N 1 0 284.385 2.092 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185820 347303417 /nfs/dbraw/zinc/30/34/17/347303417.db2.gz NZTKMMVXZZHPGD-QMTHXVAHSA-N 1 0 289.339 2.451 20 5 CEBDRO C[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000603427058 347367860 /nfs/dbraw/zinc/36/78/60/347367860.db2.gz LNQJTLNYKZVVIY-NEPJUHHUSA-N 1 0 266.345 2.350 20 5 CEBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccco1 ZINC000603837390 347390758 /nfs/dbraw/zinc/39/07/58/347390758.db2.gz NDTSHJHLMMGTJQ-LLVKDONJSA-N 1 0 276.296 2.298 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](C2CC2)CC1 ZINC000603845312 347391474 /nfs/dbraw/zinc/39/14/74/347391474.db2.gz YEASXPKAJGIVFZ-UHFFFAOYSA-N 1 0 262.313 2.029 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2cccnc2[N+](=O)[O-])C1 ZINC000603858026 347392616 /nfs/dbraw/zinc/39/26/16/347392616.db2.gz AEPOIWRZCMRHMK-LLVKDONJSA-N 1 0 264.329 2.134 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604441891 347415979 /nfs/dbraw/zinc/41/59/79/347415979.db2.gz UCDQCWBSLJXQNQ-UHFFFAOYSA-N 1 0 285.369 2.179 20 5 CEBDRO CN1CCC[N@H+](CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000604527089 347419532 /nfs/dbraw/zinc/41/95/32/347419532.db2.gz DKVDNAUQIJNLNF-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000604561527 347423698 /nfs/dbraw/zinc/42/36/98/347423698.db2.gz ASZXYTVDDGFQGW-LBPRGKRZSA-N 1 0 291.351 2.197 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609513187 347641489 /nfs/dbraw/zinc/64/14/89/347641489.db2.gz JKJAYSIMOBDHNH-LLVKDONJSA-N 1 0 264.329 2.276 20 5 CEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609833626 347652396 /nfs/dbraw/zinc/65/23/96/347652396.db2.gz PYMKHJLOPBZUHZ-ZDUSSCGKSA-N 1 0 291.351 2.199 20 5 CEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000610585340 347694066 /nfs/dbraw/zinc/69/40/66/347694066.db2.gz LFFZYBJBAOJSFG-BXUZGUMPSA-N 1 0 262.309 2.458 20 5 CEBDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585531 347694143 /nfs/dbraw/zinc/69/41/43/347694143.db2.gz RXSYHIDMXCIJKF-YPMHNXCESA-N 1 0 289.335 2.408 20 5 CEBDRO COC[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000610604902 347695480 /nfs/dbraw/zinc/69/54/80/347695480.db2.gz DQHVLOZBHIQBFU-SNVBAGLBSA-N 1 0 256.327 2.267 20 5 CEBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cn[nH]c2)cc1 ZINC000610271184 347667420 /nfs/dbraw/zinc/66/74/20/347667420.db2.gz HJSKJJDCKPUEGU-UHFFFAOYSA-N 1 0 274.324 2.430 20 5 CEBDRO CC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611092521 347738807 /nfs/dbraw/zinc/73/88/07/347738807.db2.gz XIASSDZOVYHJDF-LLVKDONJSA-N 1 0 281.331 2.260 20 5 CEBDRO CO[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611984177 347831405 /nfs/dbraw/zinc/83/14/05/347831405.db2.gz PDLCLODNCKEJJI-CYBMUJFWSA-N 1 0 280.324 2.301 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917082 219246478 /nfs/dbraw/zinc/24/64/78/219246478.db2.gz LGQBAPIVSGJJAV-KGLIPLIRSA-N 1 0 291.351 2.256 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000614597261 348220095 /nfs/dbraw/zinc/22/00/95/348220095.db2.gz NKPBPUBUIAQFMW-CYBMUJFWSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000351952127 219262755 /nfs/dbraw/zinc/26/27/55/219262755.db2.gz RCRJLLUFIVRNPP-NEPJUHHUSA-N 1 0 277.368 2.428 20 5 CEBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000295152035 199374245 /nfs/dbraw/zinc/37/42/45/199374245.db2.gz RFSFUCPWLSRYAO-OAHLLOKOSA-N 1 0 294.351 2.462 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000066812436 362885977 /nfs/dbraw/zinc/88/59/77/362885977.db2.gz LVCLVZRRIQMQBQ-SNVBAGLBSA-N 1 0 252.318 2.132 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCC2)n1 ZINC000128912397 187398664 /nfs/dbraw/zinc/39/86/64/187398664.db2.gz JCNHEJDLYBKDFG-UHFFFAOYSA-N 1 0 264.329 2.196 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000273477715 192167213 /nfs/dbraw/zinc/16/72/13/192167213.db2.gz RVPYLXFHXLWAIR-LBPRGKRZSA-N 1 0 274.324 2.278 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000273477713 192167572 /nfs/dbraw/zinc/16/75/72/192167572.db2.gz RVPYLXFHXLWAIR-GFCCVEGCSA-N 1 0 274.324 2.278 20 5 CEBDRO CC[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000618308943 348923698 /nfs/dbraw/zinc/92/36/98/348923698.db2.gz YQAFJIJDEHXPTR-AWEZNQCLSA-N 1 0 290.323 2.130 20 5 CEBDRO Cc1c(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000339622043 215274000 /nfs/dbraw/zinc/27/40/00/215274000.db2.gz MBUZFFDTAYJLOE-VXGBXAGGSA-N 1 0 277.368 2.428 20 5 CEBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090651074 180017994 /nfs/dbraw/zinc/01/79/94/180017994.db2.gz KHNGMLJWOYZMSJ-LBPRGKRZSA-N 1 0 294.351 2.441 20 5 CEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000411907032 233297245 /nfs/dbraw/zinc/29/72/45/233297245.db2.gz FAGBJQICIBSGJF-XBFCOCLRSA-N 1 0 294.351 2.046 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CC ZINC000091558039 180190803 /nfs/dbraw/zinc/19/08/03/180190803.db2.gz DIGBHRPBFGAYRB-NSHDSACASA-N 1 0 281.360 2.016 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000412101320 233339091 /nfs/dbraw/zinc/33/90/91/233339091.db2.gz YQNUUWZCTSSGJB-ZYHUDNBSSA-N 1 0 282.315 2.327 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091549313 180189133 /nfs/dbraw/zinc/18/91/33/180189133.db2.gz LLTPZCHHGWHGMP-LLVKDONJSA-N 1 0 293.371 2.016 20 5 CEBDRO COCC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106468840 186119679 /nfs/dbraw/zinc/11/96/79/186119679.db2.gz HEAWLDGRMFOPCG-JTQLQIEISA-N 1 0 268.313 2.118 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC(OC)C1 ZINC000352212756 219365821 /nfs/dbraw/zinc/36/58/21/219365821.db2.gz RRMCNWXOSQLOFA-UHFFFAOYSA-N 1 0 280.324 2.213 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107687769 186186269 /nfs/dbraw/zinc/18/62/69/186186269.db2.gz KIEXZMUULBLKSF-LBPRGKRZSA-N 1 0 294.351 2.462 20 5 CEBDRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352223305 219369728 /nfs/dbraw/zinc/36/97/28/219369728.db2.gz VAZXBIZCONKAKB-GFCCVEGCSA-N 1 0 280.324 2.214 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000110791447 186324146 /nfs/dbraw/zinc/32/41/46/186324146.db2.gz LSIWGVHTGQBXPH-GFCCVEGCSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1c(CN2C[C@H](C)[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000070078109 363029868 /nfs/dbraw/zinc/02/98/68/363029868.db2.gz NEUPAVLKBYAOKD-QWRGUYRKSA-N 1 0 263.341 2.085 20 5 CEBDRO COc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150176 363038812 /nfs/dbraw/zinc/03/88/12/363038812.db2.gz NYHRFULBFJIPEZ-ZDUSSCGKSA-N 1 0 293.367 2.307 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070172735 363045982 /nfs/dbraw/zinc/04/59/82/363045982.db2.gz FECSELBOADMUMA-NEPJUHHUSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000291753982 198081041 /nfs/dbraw/zinc/08/10/41/198081041.db2.gz FZCDGFFPZQZYNC-JTQLQIEISA-N 1 0 279.340 2.407 20 5 CEBDRO CO[C@]1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123237057 187079684 /nfs/dbraw/zinc/07/96/84/187079684.db2.gz KMHRWUSBEHDOBJ-RISCZKNCSA-N 1 0 280.324 2.051 20 5 CEBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291984808 198125836 /nfs/dbraw/zinc/12/58/36/198125836.db2.gz WMGJZQYKEBUVTI-AWEZNQCLSA-N 1 0 294.351 2.473 20 5 CEBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000192546829 539890365 /nfs/dbraw/zinc/89/03/65/539890365.db2.gz NYNREJNKDGBUDL-UHFFFAOYSA-N 1 0 272.374 2.219 20 5 CEBDRO C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000134507795 187754856 /nfs/dbraw/zinc/75/48/56/187754856.db2.gz PGSNDHIXMDHBAI-RYUDHWBXSA-N 1 0 291.351 2.162 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000292144059 198180634 /nfs/dbraw/zinc/18/06/34/198180634.db2.gz SWJAFDSRLKMTGL-NSHDSACASA-N 1 0 279.340 2.151 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000494459060 290974587 /nfs/dbraw/zinc/97/45/87/290974587.db2.gz TVYSZQIPLMHUJJ-JSGCOSHPSA-N 1 0 280.299 2.391 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000153716114 188098740 /nfs/dbraw/zinc/09/87/40/188098740.db2.gz CPCUBTSTBRFROJ-SNVBAGLBSA-N 1 0 282.340 2.415 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCCC1 ZINC000159704606 188437168 /nfs/dbraw/zinc/43/71/68/188437168.db2.gz YWDPFOMMJIZNJN-UHFFFAOYSA-N 1 0 293.367 2.411 20 5 CEBDRO Nc1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000293071732 198516735 /nfs/dbraw/zinc/51/67/35/198516735.db2.gz NDASPJOWWSGEMQ-GFCCVEGCSA-N 1 0 290.367 2.099 20 5 CEBDRO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743052 299216625 /nfs/dbraw/zinc/21/66/25/299216625.db2.gz FNJKJTHCRVLLFE-FZMZJTMJSA-N 1 0 286.335 2.457 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH+](C)C ZINC000569745480 299216759 /nfs/dbraw/zinc/21/67/59/299216759.db2.gz WNPOYISEFTUURI-SNVBAGLBSA-N 1 0 267.329 2.213 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000133261716 366209489 /nfs/dbraw/zinc/20/94/89/366209489.db2.gz JNQWGLZMAZRHEP-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000452123112 283195425 /nfs/dbraw/zinc/19/54/25/283195425.db2.gz IBDCXLLMCFKGAX-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000134822794 366363099 /nfs/dbraw/zinc/36/30/99/366363099.db2.gz BOGRCNXEYWRRHT-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575908447 366374656 /nfs/dbraw/zinc/37/46/56/366374656.db2.gz YZHXNOACIGWZHH-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000414654499 236434602 /nfs/dbraw/zinc/43/46/02/236434602.db2.gz GCZRBPNJCMPAEC-WDEREUQCSA-N 1 0 292.339 2.104 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000340879185 215746692 /nfs/dbraw/zinc/74/66/92/215746692.db2.gz TYYTYEXJUPAMNE-QWRGUYRKSA-N 1 0 281.360 2.014 20 5 CEBDRO CN(C(=O)C[N@H+](C)CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135280138 366421296 /nfs/dbraw/zinc/42/12/96/366421296.db2.gz OMHDJGAHKQEFMV-UHFFFAOYSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000294866444 199220958 /nfs/dbraw/zinc/22/09/58/199220958.db2.gz OXKYFBNBBJTDNG-ZDUSSCGKSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@]1(C)CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000135709928 366470299 /nfs/dbraw/zinc/47/02/99/366470299.db2.gz RVJSLQKXLBFFIW-OAHLLOKOSA-N 1 0 294.351 2.475 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000338755897 366505429 /nfs/dbraw/zinc/50/54/29/366505429.db2.gz KTYYMHYPLUQVML-UHFFFAOYSA-N 1 0 281.360 2.006 20 5 CEBDRO C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000136335001 366509247 /nfs/dbraw/zinc/50/92/47/366509247.db2.gz ZXXPSWNZSXTOKM-QMMMGPOBSA-N 1 0 258.705 2.061 20 5 CEBDRO CC[C@@H](COC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000079713260 363624173 /nfs/dbraw/zinc/62/41/73/363624173.db2.gz TVAQWCCCPDEJHE-LBPRGKRZSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000417396987 237108877 /nfs/dbraw/zinc/10/88/77/237108877.db2.gz GOVZKVRUHNOYJM-FMKPAKJESA-N 1 0 290.363 2.419 20 5 CEBDRO CCC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341606148 216031420 /nfs/dbraw/zinc/03/14/20/216031420.db2.gz ALENVJYJKQTUMP-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)cs1 ZINC000418135395 237315823 /nfs/dbraw/zinc/31/58/23/237315823.db2.gz PBFHGQQZULKOCV-VIFPVBQESA-N 1 0 291.323 2.085 20 5 CEBDRO C[N@@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148504922 366583281 /nfs/dbraw/zinc/58/32/81/366583281.db2.gz RGFZNEQDUWXOMA-VIFPVBQESA-N 1 0 284.747 2.397 20 5 CEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000151895810 366674376 /nfs/dbraw/zinc/67/43/76/366674376.db2.gz XLBIKZKZJASACY-UHFFFAOYSA-N 1 0 293.367 2.315 20 5 CEBDRO COC(=O)[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177447879 189052482 /nfs/dbraw/zinc/05/24/82/189052482.db2.gz ZFLOQYMSLCOMDA-HNNXBMFYSA-N 1 0 292.335 2.022 20 5 CEBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000353039673 219816056 /nfs/dbraw/zinc/81/60/56/219816056.db2.gz QZNAJGXAGLGADK-YPMHNXCESA-N 1 0 264.325 2.357 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000571514063 299312646 /nfs/dbraw/zinc/31/26/46/299312646.db2.gz XEIMUJDFZPKXQH-LERXQTSPSA-N 1 0 264.325 2.467 20 5 CEBDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179568562 189202753 /nfs/dbraw/zinc/20/27/53/189202753.db2.gz OYMGBLXVNZXQON-SNVBAGLBSA-N 1 0 266.297 2.008 20 5 CEBDRO Cc1c([C@H](C)[NH2+]CC2(C)OCCO2)cccc1[N+](=O)[O-] ZINC000179568190 189202918 /nfs/dbraw/zinc/20/29/18/189202918.db2.gz AWPZONRQCRGOCT-NSHDSACASA-N 1 0 280.324 2.317 20 5 CEBDRO CCNC(=O)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000453600971 283604064 /nfs/dbraw/zinc/60/40/64/283604064.db2.gz FUTRRZYRDIVIRA-VQHVLOKHSA-N 1 0 291.351 2.112 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299618384 200804907 /nfs/dbraw/zinc/80/49/07/200804907.db2.gz JRYFRNDCCMJNJV-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414377 189254291 /nfs/dbraw/zinc/25/42/91/189254291.db2.gz MVKFXZOLEDGEBX-BXUZGUMPSA-N 1 0 282.340 2.031 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301204039 200936800 /nfs/dbraw/zinc/93/68/00/200936800.db2.gz QUHVAKPXTNRPBN-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000579909415 366719897 /nfs/dbraw/zinc/71/98/97/366719897.db2.gz BCXWLLQVNBCVDH-CYBMUJFWSA-N 1 0 282.340 2.364 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1O ZINC000342299233 216299313 /nfs/dbraw/zinc/29/93/13/216299313.db2.gz LKYBPSUQJGYYSQ-UWVGGRQHSA-N 1 0 284.287 2.289 20 5 CEBDRO CC[NH+]1CCC(CCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301471422 201020484 /nfs/dbraw/zinc/02/04/84/201020484.db2.gz TUEZLLKXNZXWJJ-UHFFFAOYSA-N 1 0 295.387 2.171 20 5 CEBDRO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C[NH+](C)C ZINC000581604499 366799870 /nfs/dbraw/zinc/79/98/70/366799870.db2.gz LDQCFZIMYJYVAY-LLVKDONJSA-N 1 0 292.383 2.478 20 5 CEBDRO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183235186 189351291 /nfs/dbraw/zinc/35/12/91/189351291.db2.gz SLAGCSZFROIEDH-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000183361681 189356629 /nfs/dbraw/zinc/35/66/29/189356629.db2.gz ZRMCZIWFEOJNSV-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183681010 189365575 /nfs/dbraw/zinc/36/55/75/189365575.db2.gz XFMDZMIFQOEHSO-UHFFFAOYSA-N 1 0 252.314 2.372 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061729 363795072 /nfs/dbraw/zinc/79/50/72/363795072.db2.gz KQMFSVCZSYHIHA-AAEUAGOBSA-N 1 0 291.351 2.175 20 5 CEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302204364 201394572 /nfs/dbraw/zinc/39/45/72/201394572.db2.gz CLIADTDFFQTAGR-GFCCVEGCSA-N 1 0 293.371 2.307 20 5 CEBDRO Cc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000237604005 370737230 /nfs/dbraw/zinc/73/72/30/370737230.db2.gz YMWBJBYIRBAMTP-UHFFFAOYSA-N 1 0 291.351 2.295 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCOC1)CCO2 ZINC000356535291 370745459 /nfs/dbraw/zinc/74/54/59/370745459.db2.gz XYJXNUPPMHCNPB-LBPRGKRZSA-N 1 0 292.335 2.216 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237907446 370759033 /nfs/dbraw/zinc/75/90/33/370759033.db2.gz YHVHJDSEAVCTKR-OAHLLOKOSA-N 1 0 297.314 2.248 20 5 CEBDRO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000094339629 364266014 /nfs/dbraw/zinc/26/60/14/364266014.db2.gz NAMBNEOURABTRI-PSASIEDQSA-N 1 0 297.742 2.058 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094949212 364313336 /nfs/dbraw/zinc/31/33/36/364313336.db2.gz KQMOAGRQBDUOMR-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO CC[C@@H](CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094949739 364315168 /nfs/dbraw/zinc/31/51/68/364315168.db2.gz PXUOLZOQPVCQMI-NSHDSACASA-N 1 0 252.314 2.093 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097439288 364500660 /nfs/dbraw/zinc/50/06/60/364500660.db2.gz CDQIADIPEPSYFU-WDEREUQCSA-N 1 0 252.314 2.264 20 5 CEBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111404588 364735350 /nfs/dbraw/zinc/73/53/50/364735350.db2.gz QFVKZEVATQUMSV-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000114197394 364930184 /nfs/dbraw/zinc/93/01/84/364930184.db2.gz NSLHFLVAMJWVDS-UHFFFAOYSA-N 1 0 294.351 2.411 20 5 CEBDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119019155 365201203 /nfs/dbraw/zinc/20/12/03/365201203.db2.gz ALNQUDWNOJKBPY-DOMZBBRYSA-N 1 0 294.351 2.441 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@@H+]1CCCOCC1 ZINC000275453149 193044217 /nfs/dbraw/zinc/04/42/17/193044217.db2.gz LUPVQWSAXKZACG-UHFFFAOYSA-N 1 0 299.758 2.382 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000159197681 366888134 /nfs/dbraw/zinc/88/81/34/366888134.db2.gz AHAUPRFDQWNRIJ-VHSXEESVSA-N 1 0 250.298 2.349 20 5 CEBDRO C[NH+](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120136534 365378983 /nfs/dbraw/zinc/37/89/83/365378983.db2.gz KJTOKRWFYVEXDE-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000340584926 366945088 /nfs/dbraw/zinc/94/50/88/366945088.db2.gz WCFJIZZEVWSBGK-CYBMUJFWSA-N 1 0 291.351 2.069 20 5 CEBDRO Cc1c(CN2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000582779510 366955770 /nfs/dbraw/zinc/95/57/70/366955770.db2.gz NKVRSCZTOMRPHG-UHFFFAOYSA-N 1 0 275.352 2.231 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162034319 367131378 /nfs/dbraw/zinc/13/13/78/367131378.db2.gz LUCKLKYJGBGPGM-NSHDSACASA-N 1 0 293.323 2.233 20 5 CEBDRO Cc1cc(NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000341039921 367144038 /nfs/dbraw/zinc/14/40/38/367144038.db2.gz FYWFUPJCQSWXMT-UHFFFAOYSA-N 1 0 294.399 2.199 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000162614320 367173728 /nfs/dbraw/zinc/17/37/28/367173728.db2.gz YFOPXYJQSAYTGJ-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1C ZINC000245457785 370822339 /nfs/dbraw/zinc/82/23/39/370822339.db2.gz UMVSTAGFFTWGDQ-WDEREUQCSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245467454 370825507 /nfs/dbraw/zinc/82/55/07/370825507.db2.gz ZMFRHSADRNERLS-RISCZKNCSA-N 1 0 289.335 2.184 20 5 CEBDRO Cc1nn(C)c(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341135965 367189283 /nfs/dbraw/zinc/18/92/83/367189283.db2.gz ZDBGPNNTOAUCRN-PHIMTYICSA-N 1 0 295.387 2.312 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163247839 367227836 /nfs/dbraw/zinc/22/78/36/367227836.db2.gz GMRXVFCFTLXYLT-CMPLNLGQSA-N 1 0 250.298 2.109 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000163253417 367227861 /nfs/dbraw/zinc/22/78/61/367227861.db2.gz WDYJKWVEWNLFFO-UWVGGRQHSA-N 1 0 283.759 2.417 20 5 CEBDRO C[C@H](O)CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167349444 367338651 /nfs/dbraw/zinc/33/86/51/367338651.db2.gz HQNHARDNQBJKSC-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512538 367355220 /nfs/dbraw/zinc/35/52/20/367355220.db2.gz BCTSYEQMDGZFFD-LXIMFEHMSA-N 1 0 270.354 2.012 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512719 367355747 /nfs/dbraw/zinc/35/57/47/367355747.db2.gz BCTSYEQMDGZFFD-RAALSFIWSA-N 1 0 270.354 2.012 20 5 CEBDRO CO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000170818410 367423072 /nfs/dbraw/zinc/42/30/72/367423072.db2.gz ZBCBCSQHASNRFO-ZDUSSCGKSA-N 1 0 250.298 2.206 20 5 CEBDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009149 370868966 /nfs/dbraw/zinc/86/89/66/370868966.db2.gz CCCMGOBMTSEDBQ-SUNKGSAMSA-N 1 0 263.341 2.196 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000343521059 367861650 /nfs/dbraw/zinc/86/16/50/367861650.db2.gz FWIROSUTBYQARS-CYBMUJFWSA-N 1 0 294.351 2.209 20 5 CEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000174114426 367986221 /nfs/dbraw/zinc/98/62/21/367986221.db2.gz HXAAOUARDUDDOS-AWEZNQCLSA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C ZINC000173986598 367968309 /nfs/dbraw/zinc/96/83/09/367968309.db2.gz UMVSTAGFFTWGDQ-MNOVXSKESA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622399 299388417 /nfs/dbraw/zinc/38/84/17/299388417.db2.gz UUXZFLMXAIOQSM-UHIISALHSA-N 1 0 263.341 2.243 20 5 CEBDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181826389 368497529 /nfs/dbraw/zinc/49/75/29/368497529.db2.gz QYMCQIDJWBJYCS-NWDGAFQWSA-N 1 0 293.367 2.469 20 5 CEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182211677 368535567 /nfs/dbraw/zinc/53/55/67/368535567.db2.gz CGSCPJOMXFHIBL-SECBINFHSA-N 1 0 299.758 2.062 20 5 CEBDRO C[NH+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330560567 202973229 /nfs/dbraw/zinc/97/32/29/202973229.db2.gz YRINOZMHJSQDNX-UHFFFAOYSA-N 1 0 291.351 2.009 20 5 CEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184736766 368715512 /nfs/dbraw/zinc/71/55/12/368715512.db2.gz FKQDPUFOMOYMID-WDEREUQCSA-N 1 0 280.324 2.272 20 5 CEBDRO COc1ccc(CNc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000358157495 370928274 /nfs/dbraw/zinc/92/82/74/370928274.db2.gz VYHPBFYWSBCOLE-UHFFFAOYSA-N 1 0 273.292 2.341 20 5 CEBDRO [NH3+]CCN(Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000348901873 369194742 /nfs/dbraw/zinc/19/47/42/369194742.db2.gz ARHPCXJIZFDFPU-UHFFFAOYSA-N 1 0 287.319 2.266 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000188171145 369311478 /nfs/dbraw/zinc/31/14/78/369311478.db2.gz YMKWSRMJNDENIX-HNNXBMFYSA-N 1 0 294.351 2.126 20 5 CEBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000349403044 369319286 /nfs/dbraw/zinc/31/92/86/369319286.db2.gz BFPZYMVFZAWDAS-HQWBGCBWSA-N 1 0 276.336 2.311 20 5 CEBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188829611 369415599 /nfs/dbraw/zinc/41/55/99/369415599.db2.gz MUSVXZQXUOPJFS-OAHLLOKOSA-N 1 0 294.351 2.141 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897385 203365257 /nfs/dbraw/zinc/36/52/57/203365257.db2.gz HMDBPGPLQRMIMN-VXGBXAGGSA-N 1 0 291.351 2.084 20 5 CEBDRO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000190260788 369608598 /nfs/dbraw/zinc/60/85/98/369608598.db2.gz BAOCBWKVHYEJGQ-UHFFFAOYSA-N 1 0 282.340 2.080 20 5 CEBDRO C([C@@H]1CCC2(CCCCC2)O1)[N+]12CCN(CC1)CC2 ZINC000191697987 369734486 /nfs/dbraw/zinc/73/44/86/369734486.db2.gz RKPMUIFJIBSKKI-HNNXBMFYSA-N 1 0 265.421 2.014 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541416 369778690 /nfs/dbraw/zinc/77/86/90/369778690.db2.gz XMSUEMFVIOIFGI-CYBMUJFWSA-N 1 0 294.351 2.462 20 5 CEBDRO CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193735574 369976041 /nfs/dbraw/zinc/97/60/41/369976041.db2.gz XNCAIRDTWNIADA-GFCCVEGCSA-N 1 0 295.295 2.114 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194625657 370058578 /nfs/dbraw/zinc/05/85/78/370058578.db2.gz FGOFHCNTRXTQMK-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805629 296153628 /nfs/dbraw/zinc/15/36/28/296153628.db2.gz JQIXTIVECOKMID-ABAIWWIYSA-N 1 0 294.351 2.033 20 5 CEBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000221258299 370239381 /nfs/dbraw/zinc/23/93/81/370239381.db2.gz IJUGBFVGLGACHZ-SNVBAGLBSA-N 1 0 253.277 2.240 20 5 CEBDRO CC(C)[N@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000221788264 370245983 /nfs/dbraw/zinc/24/59/83/370245983.db2.gz GYZHXYQKGRNNLI-UHFFFAOYSA-N 1 0 265.357 2.415 20 5 CEBDRO CCOC(=O)c1cc(NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000277012224 193530811 /nfs/dbraw/zinc/53/08/11/193530811.db2.gz BDTZMZSZYGKBLH-SNVBAGLBSA-N 1 0 295.339 2.134 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000217371126 370195735 /nfs/dbraw/zinc/19/57/35/370195735.db2.gz SYSPLXDBRLCNFI-GFCCVEGCSA-N 1 0 265.357 2.415 20 5 CEBDRO C[N@@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889838 370388067 /nfs/dbraw/zinc/38/80/67/370388067.db2.gz JHJQHAIWZZOSDP-MRVPVSSYSA-N 1 0 271.267 2.237 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000229913928 370433291 /nfs/dbraw/zinc/43/32/91/370433291.db2.gz NEHFVPVXXSDCMD-IINYFYTJSA-N 1 0 264.325 2.106 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C(C)C ZINC000231041046 370474066 /nfs/dbraw/zinc/47/40/66/370474066.db2.gz JVVRDNVXGHRULK-ZDUSSCGKSA-N 1 0 282.340 2.100 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(F)c1 ZINC000355486992 370572079 /nfs/dbraw/zinc/57/20/79/370572079.db2.gz VILCPLCHYRVIGV-GFCCVEGCSA-N 1 0 282.315 2.375 20 5 CEBDRO Cc1cnc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000358331517 371017342 /nfs/dbraw/zinc/01/73/42/371017342.db2.gz GMNMXSAXVFVTET-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247047891 371054262 /nfs/dbraw/zinc/05/42/62/371054262.db2.gz MAAJAZWLRHNHRD-JMSVASOKSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000248889005 371264455 /nfs/dbraw/zinc/26/44/55/371264455.db2.gz APCZWYPXOZXHMV-GNXNZQSNSA-N 1 0 264.325 2.329 20 5 CEBDRO C[C@H]1c2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000361063578 371628493 /nfs/dbraw/zinc/62/84/93/371628493.db2.gz SJNOGXJBFCZLEH-NSHDSACASA-N 1 0 272.308 2.368 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000361168949 371695812 /nfs/dbraw/zinc/69/58/12/371695812.db2.gz GCUMUUGHWCCRHL-LBPRGKRZSA-N 1 0 293.371 2.005 20 5 CEBDRO [NH3+]C1(c2noc(Cc3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000261894318 371765618 /nfs/dbraw/zinc/76/56/18/371765618.db2.gz XTSBVNCWKPRAGR-UHFFFAOYSA-N 1 0 288.307 2.297 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000262496870 371868668 /nfs/dbraw/zinc/86/86/68/371868668.db2.gz WWCYGWYLKQHJSV-SECBINFHSA-N 1 0 297.380 2.045 20 5 CEBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361592770 371961727 /nfs/dbraw/zinc/96/17/27/371961727.db2.gz WRDDJQSRXAPVCL-AWEZNQCLSA-N 1 0 264.325 2.248 20 5 CEBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361597566 371965805 /nfs/dbraw/zinc/96/58/05/371965805.db2.gz ZGOHIDQFBQAEQW-CYBMUJFWSA-N 1 0 280.324 2.084 20 5 CEBDRO COc1cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344136786 217067608 /nfs/dbraw/zinc/06/76/08/217067608.db2.gz VAQCFQYJYBHPJH-AAEUAGOBSA-N 1 0 294.351 2.196 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000361663794 372013424 /nfs/dbraw/zinc/01/34/24/372013424.db2.gz WWOQMWKZRDHUNR-AAEUAGOBSA-N 1 0 294.351 2.054 20 5 CEBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268701943 372185477 /nfs/dbraw/zinc/18/54/77/372185477.db2.gz BUGSPRSTWAFZPI-WDEREUQCSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000362732875 372506724 /nfs/dbraw/zinc/50/67/24/372506724.db2.gz IDNHIMUKGSOSMH-NEPJUHHUSA-N 1 0 291.351 2.116 20 5 CEBDRO C[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000344408263 217184354 /nfs/dbraw/zinc/18/43/54/217184354.db2.gz KPZIZQSZSCLFOK-DRDHIDPGSA-N 1 0 276.336 2.359 20 5 CEBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729985 372549988 /nfs/dbraw/zinc/54/99/88/372549988.db2.gz XMMMYLUMMSJDNP-BXUZGUMPSA-N 1 0 264.325 2.330 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270085219 372659151 /nfs/dbraw/zinc/65/91/51/372659151.db2.gz JPIBZGMVEDQPLM-WFASDCNBSA-N 1 0 294.351 2.066 20 5 CEBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000270170651 372687640 /nfs/dbraw/zinc/68/76/40/372687640.db2.gz UHVCLXQWJZVKEU-GXTWGEPZSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000366252114 373015653 /nfs/dbraw/zinc/01/56/53/373015653.db2.gz REXHEWUAQHUCGY-GFCCVEGCSA-N 1 0 262.309 2.063 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000271061910 373099760 /nfs/dbraw/zinc/09/97/60/373099760.db2.gz CFWSTIHXSNLXEV-SNVBAGLBSA-N 1 0 268.313 2.027 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000573666326 299449820 /nfs/dbraw/zinc/44/98/20/299449820.db2.gz LTCVUQOXJCQJHE-BIBXISHDSA-N 1 0 296.392 2.465 20 5 CEBDRO CCOc1cc(CN2CCOC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000372812715 374203800 /nfs/dbraw/zinc/20/38/00/374203800.db2.gz QXNFDSNHYKRIGK-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000276812722 374309740 /nfs/dbraw/zinc/30/97/40/374309740.db2.gz DWYCCENDWFDHQB-DFBGVHRSSA-N 1 0 294.351 2.310 20 5 CEBDRO CCOc1cc(C[N@H+](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276974463 374365628 /nfs/dbraw/zinc/36/56/28/374365628.db2.gz XJIBKDYYCFTKBV-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000277291842 374466720 /nfs/dbraw/zinc/46/67/20/374466720.db2.gz OGNHMNXHLPGTTG-CYBMUJFWSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374541725 374595254 /nfs/dbraw/zinc/59/52/54/374595254.db2.gz PNXSECSAZSXYOF-ZDUSSCGKSA-N 1 0 286.335 2.273 20 5 CEBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631154 374585500 /nfs/dbraw/zinc/58/55/00/374585500.db2.gz YYZUNGBFPKIWTC-GXSJLCMTSA-N 1 0 291.307 2.251 20 5 CEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CC[NH+](C)C ZINC000277892123 374677407 /nfs/dbraw/zinc/67/74/07/374677407.db2.gz DMWPHJWSJGBSDP-UHFFFAOYSA-N 1 0 299.758 2.190 20 5 CEBDRO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000253148762 189985616 /nfs/dbraw/zinc/98/56/16/189985616.db2.gz BDXRYBJYZSDKDK-JTNHKYCSSA-N 1 0 291.351 2.160 20 5 CEBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000388238880 375284519 /nfs/dbraw/zinc/28/45/19/375284519.db2.gz DFYNFJXZPLFYLH-GXSJLCMTSA-N 1 0 267.304 2.046 20 5 CEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408084669 375404393 /nfs/dbraw/zinc/40/43/93/375404393.db2.gz SDYPZZCJACRNAD-WDEREUQCSA-N 1 0 292.339 2.151 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000282161158 375417531 /nfs/dbraw/zinc/41/75/31/375417531.db2.gz UFVOHMJCYBZAKN-LERXQTSPSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282386176 375471871 /nfs/dbraw/zinc/47/18/71/375471871.db2.gz ORJKKPQPAZYFOG-NILFDRSVSA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC(C)(C)O ZINC000282415243 375478703 /nfs/dbraw/zinc/47/87/03/375478703.db2.gz IWILMDDJFVJSQZ-UHFFFAOYSA-N 1 0 266.341 2.230 20 5 CEBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCO1 ZINC000282609065 375528973 /nfs/dbraw/zinc/52/89/73/375528973.db2.gz YQODGMBOQIEKIA-OCCSQVGLSA-N 1 0 298.314 2.018 20 5 CEBDRO C[C@H]1CCC[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283435410 375707826 /nfs/dbraw/zinc/70/78/26/375707826.db2.gz CPNLQKVRMLNDPM-NSHDSACASA-N 1 0 278.356 2.321 20 5 CEBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162580 375819911 /nfs/dbraw/zinc/81/99/11/375819911.db2.gz PWWSYMJRWZXFDH-RBZYPMLTSA-N 1 0 281.356 2.235 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414535664 375841254 /nfs/dbraw/zinc/84/12/54/375841254.db2.gz WQKDHPJUEXPQBC-KBPBESRZSA-N 1 0 266.341 2.480 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286130485 375853037 /nfs/dbraw/zinc/85/30/37/375853037.db2.gz WKZHLIYDOILIQE-JTQLQIEISA-N 1 0 299.321 2.399 20 5 CEBDRO O=[N+]([O-])c1cc(F)c(CN2CCCC[C@@H]2CO)c(F)c1 ZINC000286133317 375853452 /nfs/dbraw/zinc/85/34/52/375853452.db2.gz WOEVNFIGAYVMPC-SECBINFHSA-N 1 0 286.278 2.220 20 5 CEBDRO [NH3+]C1(c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCC1 ZINC000414630711 375888312 /nfs/dbraw/zinc/88/83/12/375888312.db2.gz VCPZDJYDBGTXMT-UHFFFAOYSA-N 1 0 299.290 2.464 20 5 CEBDRO Cc1ccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414650611 375900404 /nfs/dbraw/zinc/90/04/04/375900404.db2.gz BBFNOESGOSHCRY-ZDUSSCGKSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414663004 375905865 /nfs/dbraw/zinc/90/58/65/375905865.db2.gz RUCVRHKCDGVYGH-WDEREUQCSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1ccc(NC(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414668031 375909797 /nfs/dbraw/zinc/90/97/97/375909797.db2.gz YLULHIPHNBYUAH-CQSZACIVSA-N 1 0 294.355 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000414577678 375866940 /nfs/dbraw/zinc/86/69/40/375866940.db2.gz OZEFFZJPJNPQKJ-CMPLNLGQSA-N 1 0 282.315 2.375 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])C(C)C ZINC000414786359 375969406 /nfs/dbraw/zinc/96/94/06/375969406.db2.gz AUPFVYLBHKRAMX-ZDUSSCGKSA-N 1 0 281.356 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(CNC2CC[NH2+]CC2)c(Cl)c1 ZINC000414790662 375973008 /nfs/dbraw/zinc/97/30/08/375973008.db2.gz PLLNDDYCHFRCKA-UHFFFAOYSA-N 1 0 269.732 2.090 20 5 CEBDRO Cc1c(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000414715258 375937341 /nfs/dbraw/zinc/93/73/41/375937341.db2.gz WFXPRDCSRYTIFN-VHSXEESVSA-N 1 0 292.339 2.117 20 5 CEBDRO CCCC[C@H](C[NH3+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414808729 375995620 /nfs/dbraw/zinc/99/56/20/375995620.db2.gz FTBCKPGWGAGDGZ-GFCCVEGCSA-N 1 0 281.356 2.211 20 5 CEBDRO CCC([NH3+])(CC)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414813121 375999452 /nfs/dbraw/zinc/99/94/52/375999452.db2.gz SJETXXFPWNMRJF-UHFFFAOYSA-N 1 0 269.320 2.341 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289600832 376415014 /nfs/dbraw/zinc/41/50/14/376415014.db2.gz NQNCCJAWWOKLIE-GDLCADMTSA-N 1 0 291.351 2.160 20 5 CEBDRO Cc1nn(C)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289670103 376439890 /nfs/dbraw/zinc/43/98/90/376439890.db2.gz YZEHYFJNKZXFMA-UHFFFAOYSA-N 1 0 288.351 2.311 20 5 CEBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263771468 190078126 /nfs/dbraw/zinc/07/81/26/190078126.db2.gz WOYNJFZJMOAUSP-LLVKDONJSA-N 1 0 250.298 2.315 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)C1CCCC1 ZINC000289713686 376458496 /nfs/dbraw/zinc/45/84/96/376458496.db2.gz YRWZUEDSPVOMPI-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccno1 ZINC000556823839 376498327 /nfs/dbraw/zinc/49/83/27/376498327.db2.gz USLSJMRZIAXQCK-UHFFFAOYSA-N 1 0 261.281 2.257 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305844989 376519215 /nfs/dbraw/zinc/51/92/15/376519215.db2.gz SGJAOCUDUMZAHQ-YPMHNXCESA-N 1 0 294.351 2.339 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887408 376531000 /nfs/dbraw/zinc/53/10/00/376531000.db2.gz YWAWHLVEDVELDU-GXTWGEPZSA-N 1 0 294.351 2.209 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1COC ZINC000420185342 376596832 /nfs/dbraw/zinc/59/68/32/376596832.db2.gz BOCHSBKOTRYGRI-JTQLQIEISA-N 1 0 267.329 2.009 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000310838115 376639657 /nfs/dbraw/zinc/63/96/57/376639657.db2.gz AMMVYTNIBWZMIY-MWLCHTKSSA-N 1 0 250.298 2.492 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CCCC[NH3+] ZINC000312436700 376715100 /nfs/dbraw/zinc/71/51/00/376715100.db2.gz BRZLETQXCROOGJ-LLVKDONJSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[NH2+]CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000562746967 376993445 /nfs/dbraw/zinc/99/34/45/376993445.db2.gz RCVMDHBPQNBATC-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136220 377105088 /nfs/dbraw/zinc/10/50/88/377105088.db2.gz MQSTWYOOHPHWHP-OAHLLOKOSA-N 1 0 275.352 2.170 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000330439393 377132088 /nfs/dbraw/zinc/13/20/88/377132088.db2.gz ZWZWNKPNELWPOF-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1c([C@@H](C)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244440 377165013 /nfs/dbraw/zinc/16/50/13/377165013.db2.gz XMMLOUIQBRFZRL-NEPJUHHUSA-N 1 0 263.341 2.306 20 5 CEBDRO CCC[NH2+]CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423314816 377242445 /nfs/dbraw/zinc/24/24/45/377242445.db2.gz WPCNLHKXUICSIO-LLVKDONJSA-N 1 0 251.330 2.245 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000563638706 377271474 /nfs/dbraw/zinc/27/14/74/377271474.db2.gz SCDXNFCYGKKELG-GXFFZTMASA-N 1 0 262.309 2.351 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000292942044 377364327 /nfs/dbraw/zinc/36/43/27/377364327.db2.gz BGSVXYINVCENHS-LBPRGKRZSA-N 1 0 291.351 2.185 20 5 CEBDRO C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC000278157066 193847619 /nfs/dbraw/zinc/84/76/19/193847619.db2.gz AUVRODISVJSROS-RKDXNWHRSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000564712294 377436691 /nfs/dbraw/zinc/43/66/91/377436691.db2.gz IDBYSVSIXSFRSF-VXGBXAGGSA-N 1 0 293.367 2.155 20 5 CEBDRO Cc1noc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332078318 377512404 /nfs/dbraw/zinc/51/24/04/377512404.db2.gz HLECMWIHBFULIO-LBPRGKRZSA-N 1 0 288.307 2.276 20 5 CEBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293336469 377526159 /nfs/dbraw/zinc/52/61/59/377526159.db2.gz GVZZFFMGAFZLKI-MNOVXSKESA-N 1 0 250.298 2.314 20 5 CEBDRO C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354647 377532603 /nfs/dbraw/zinc/53/26/03/377532603.db2.gz HCLCFENMCGZTNZ-RYUDHWBXSA-N 1 0 265.357 2.443 20 5 CEBDRO CCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000265592437 190192283 /nfs/dbraw/zinc/19/22/83/190192283.db2.gz ZTSYOXKCWUNRDJ-UHFFFAOYSA-N 1 0 274.324 2.409 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)CC ZINC000313187066 249389281 /nfs/dbraw/zinc/38/92/81/249389281.db2.gz ZDDADNVCKWFSIZ-OLZOCXBDSA-N 1 0 270.304 2.373 20 5 CEBDRO Cc1ccc(C[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432367959 377755065 /nfs/dbraw/zinc/75/50/65/377755065.db2.gz JUKDJYPXOOOKGV-UHFFFAOYSA-N 1 0 264.325 2.154 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000293883010 377805395 /nfs/dbraw/zinc/80/53/95/377805395.db2.gz VNPKNVWSOQGEGX-CYBMUJFWSA-N 1 0 280.324 2.261 20 5 CEBDRO CCN1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293919279 377826326 /nfs/dbraw/zinc/82/63/26/377826326.db2.gz XHFOXRLMUTYORD-NSHDSACASA-N 1 0 292.383 2.312 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)CO ZINC000294675218 378006956 /nfs/dbraw/zinc/00/69/56/378006956.db2.gz BFHBQIDKNASZLK-UHFFFAOYSA-N 1 0 296.367 2.492 20 5 CEBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000295233758 378063484 /nfs/dbraw/zinc/06/34/84/378063484.db2.gz XGBPLHUFIOMUTC-SECBINFHSA-N 1 0 270.304 2.325 20 5 CEBDRO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447597330 378124227 /nfs/dbraw/zinc/12/42/27/378124227.db2.gz FCAMXJSSXDRNDP-CHWSQXEVSA-N 1 0 296.371 2.290 20 5 CEBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295712543 378275176 /nfs/dbraw/zinc/27/51/76/378275176.db2.gz SBFOBIXLECXPLQ-JTQLQIEISA-N 1 0 281.360 2.226 20 5 CEBDRO CCOc1cc(C[NH2+][C@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733248 378281773 /nfs/dbraw/zinc/28/17/73/378281773.db2.gz MCMDHFOVLIPUJH-WDEREUQCSA-N 1 0 282.340 2.100 20 5 CEBDRO CCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295637020 378245808 /nfs/dbraw/zinc/24/58/08/378245808.db2.gz XZBQNJYIUPHUFF-UHFFFAOYSA-N 1 0 293.371 2.370 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000266104604 190230698 /nfs/dbraw/zinc/23/06/98/190230698.db2.gz ZOSRDKCPPNEKFC-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450458790 378429671 /nfs/dbraw/zinc/42/96/71/378429671.db2.gz JHFVNRWBHCPZCO-GFCCVEGCSA-N 1 0 294.351 2.209 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000296311024 378487633 /nfs/dbraw/zinc/48/76/33/378487633.db2.gz GPFQFPGRUMMALS-JFGNBEQYSA-N 1 0 280.324 2.259 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268691 378849165 /nfs/dbraw/zinc/84/91/65/378849165.db2.gz ZXSOJJJGJYSBEV-IUODEOHRSA-N 1 0 296.367 2.341 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCO2)n1 ZINC000453288761 378855890 /nfs/dbraw/zinc/85/58/90/378855890.db2.gz QAONDLKXNZTAEY-UPJWGTAASA-N 1 0 294.355 2.044 20 5 CEBDRO CC[N@H+](CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299148090 378917655 /nfs/dbraw/zinc/91/76/55/378917655.db2.gz WYEIXQAZPQPYBN-UHFFFAOYSA-N 1 0 268.313 2.072 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997886 218085419 /nfs/dbraw/zinc/08/54/19/218085419.db2.gz DPTYVBSKZWOJMQ-BXUZGUMPSA-N 1 0 293.367 2.163 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000347353723 218200893 /nfs/dbraw/zinc/20/08/93/218200893.db2.gz GUJJQKLOGHHHCJ-INDWDQIESA-N 1 0 276.336 2.455 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000266538220 190265277 /nfs/dbraw/zinc/26/52/77/190265277.db2.gz PAIYHIYTJGIKQD-QWHCGFSZSA-N 1 0 294.351 2.129 20 5 CEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000456199684 379340969 /nfs/dbraw/zinc/34/09/69/379340969.db2.gz KUAIMOJSDHGMRA-UHFFFAOYSA-N 1 0 293.367 2.445 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000518533275 379392106 /nfs/dbraw/zinc/39/21/06/379392106.db2.gz SKEPELKGKYVHGU-UWVGGRQHSA-N 1 0 280.328 2.151 20 5 CEBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000302910943 379477223 /nfs/dbraw/zinc/47/72/23/379477223.db2.gz ZKCCTJBIOKLZMV-CQSZACIVSA-N 1 0 290.367 2.315 20 5 CEBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304261136 379539692 /nfs/dbraw/zinc/53/96/92/379539692.db2.gz TZLGZZZVQHXUGO-AWEZNQCLSA-N 1 0 282.340 2.244 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C(C)C ZINC000304004220 379509008 /nfs/dbraw/zinc/50/90/08/379509008.db2.gz SGEINMNHYBQVGV-NSHDSACASA-N 1 0 282.340 2.195 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000304004218 379509316 /nfs/dbraw/zinc/50/93/16/379509316.db2.gz SGEINMNHYBQVGV-LLVKDONJSA-N 1 0 282.340 2.195 20 5 CEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCC[C@@H]1O ZINC000305294333 379702763 /nfs/dbraw/zinc/70/27/63/379702763.db2.gz GBLFCDKHRGRLGU-RISCZKNCSA-N 1 0 282.315 2.327 20 5 CEBDRO C[N@H+](CCCCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457190397 379705326 /nfs/dbraw/zinc/70/53/26/379705326.db2.gz VCCSYCVNHWUMED-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000267916442 190362951 /nfs/dbraw/zinc/36/29/51/190362951.db2.gz BQWBADFQOOZPDH-SNVBAGLBSA-N 1 0 294.355 2.283 20 5 CEBDRO COCC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268050392 190372426 /nfs/dbraw/zinc/37/24/26/190372426.db2.gz SIBZVMNOSVANAL-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000488758630 380134146 /nfs/dbraw/zinc/13/41/46/380134146.db2.gz APZGRFHYJLAACZ-HNNXBMFYSA-N 1 0 290.367 2.139 20 5 CEBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489393997 380184117 /nfs/dbraw/zinc/18/41/17/380184117.db2.gz CXZYDIDSBYVHRV-WFASDCNBSA-N 1 0 294.351 2.221 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000543739753 380342182 /nfs/dbraw/zinc/34/21/82/380342182.db2.gz KUMFFTMHXBFTEF-JTQLQIEISA-N 1 0 289.339 2.223 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000551226629 380638343 /nfs/dbraw/zinc/63/83/43/380638343.db2.gz HAKJAPDKVVFDRD-BNOWGMLFSA-N 1 0 294.351 2.094 20 5 CEBDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279284587 194367523 /nfs/dbraw/zinc/36/75/23/194367523.db2.gz OUJAWKRQCIWKJB-AGIUHOORSA-N 1 0 294.351 2.113 20 5 CEBDRO O=[N+]([O-])c1cccnc1NCC12CCC[NH+]1CCC2 ZINC000280986181 195057746 /nfs/dbraw/zinc/05/77/46/195057746.db2.gz NWNJSEVTRMMWEX-UHFFFAOYSA-N 1 0 262.313 2.030 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cs1 ZINC000271447244 285086586 /nfs/dbraw/zinc/08/65/86/285086586.db2.gz RFVZWKJTFLAYAS-LLVKDONJSA-N 1 0 298.364 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000264614965 285123020 /nfs/dbraw/zinc/12/30/20/285123020.db2.gz QKKHMDKYPNJJCV-CQSZACIVSA-N 1 0 290.367 2.445 20 5 CEBDRO C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633636 184699921 /nfs/dbraw/zinc/69/99/21/184699921.db2.gz WPBNACPBYKBPQD-LBPRGKRZSA-N 1 0 283.759 2.432 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[NH2+]3)cnc2c1 ZINC000095091986 184941038 /nfs/dbraw/zinc/94/10/38/184941038.db2.gz SCJPTAOKLSNNHR-SNVBAGLBSA-N 1 0 287.323 2.092 20 5 CEBDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157481761 533356797 /nfs/dbraw/zinc/35/67/97/533356797.db2.gz HDXLMQLGWALGBJ-LLVKDONJSA-N 1 0 264.325 2.408 20 5 CEBDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000412100331 533558897 /nfs/dbraw/zinc/55/88/97/533558897.db2.gz XMYUBJCMBGRIGL-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000189684555 130007503 /nfs/dbraw/zinc/00/75/03/130007503.db2.gz PXRKUJBTBFJHCA-SECBINFHSA-N 1 0 270.358 2.338 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297340833 291995675 /nfs/dbraw/zinc/99/56/75/291995675.db2.gz ITCNVHBUXADKCF-CHIMOYNISA-N 1 0 291.351 2.101 20 5 CEBDRO CCc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237138627 131007349 /nfs/dbraw/zinc/00/73/49/131007349.db2.gz USEFCONLFDMXJE-UHFFFAOYSA-N 1 0 291.351 2.159 20 5 CEBDRO Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000261664725 131160225 /nfs/dbraw/zinc/16/02/25/131160225.db2.gz KVNDDTWGLYGRHF-MISXGVKJSA-N 1 0 291.351 2.020 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000261723103 131164113 /nfs/dbraw/zinc/16/41/13/131164113.db2.gz QGYFNUQKRGUYBG-COPLHBTASA-N 1 0 291.351 2.020 20 5 CEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263926152 131362511 /nfs/dbraw/zinc/36/25/11/131362511.db2.gz VYFDMYVUSJCWEY-CYBMUJFWSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420951769 394452486 /nfs/dbraw/zinc/45/24/86/394452486.db2.gz UCDSQZPVKACMJU-GARJFASQSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235658935 394484092 /nfs/dbraw/zinc/48/40/92/394484092.db2.gz LAIUOBGXMFTQKT-GXFFZTMASA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCC[N@@H+]1C ZINC000413233315 394509275 /nfs/dbraw/zinc/50/92/75/394509275.db2.gz DATIEVPLXRBGEW-GZMMTYOYSA-N 1 0 268.292 2.024 20 5 CEBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413241766 394510436 /nfs/dbraw/zinc/51/04/36/394510436.db2.gz TWKPIMYMEFDUIT-UHFFFAOYSA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@H](O)CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266561555 394667269 /nfs/dbraw/zinc/66/72/69/394667269.db2.gz XTOVIYQZVVQSEC-QWRGUYRKSA-N 1 0 252.314 2.359 20 5 CEBDRO CC[C@@H](O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000421878446 394625079 /nfs/dbraw/zinc/62/50/79/394625079.db2.gz NIFRIHLRGXYWPY-DGCLKSJQSA-N 1 0 266.341 2.276 20 5 CEBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000356851492 394631580 /nfs/dbraw/zinc/63/15/80/394631580.db2.gz PDWNYSOJEZMJMY-UHFFFAOYSA-N 1 0 296.371 2.114 20 5 CEBDRO CC[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264597821 394641315 /nfs/dbraw/zinc/64/13/15/394641315.db2.gz AKDCJVFYBYRLMI-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000265197880 394646653 /nfs/dbraw/zinc/64/66/53/394646653.db2.gz MEZOMOSVHXEPRP-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO C[C@@H]1[C@H](C)N(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357047442 394692616 /nfs/dbraw/zinc/69/26/16/394692616.db2.gz WDIJGXLJYOBFGU-NEPJUHHUSA-N 1 0 263.341 2.119 20 5 CEBDRO CC(C)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422687236 394723760 /nfs/dbraw/zinc/72/37/60/394723760.db2.gz BCIHWYCDJYAINB-UHFFFAOYSA-N 1 0 291.351 2.200 20 5 CEBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000273363014 394787512 /nfs/dbraw/zinc/78/75/12/394787512.db2.gz WQFFZCHUIYMHOP-UHFFFAOYSA-N 1 0 289.257 2.364 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+](C)C)c1 ZINC000336817385 394879216 /nfs/dbraw/zinc/87/92/16/394879216.db2.gz QBDDZBSGNGXVSB-SNVBAGLBSA-N 1 0 267.329 2.213 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]2C1 ZINC000278667886 394833067 /nfs/dbraw/zinc/83/30/67/394833067.db2.gz FVSUSBHXIOLXBZ-TXEJJXNPSA-N 1 0 298.346 2.141 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@@H](C)O ZINC000278774156 394834934 /nfs/dbraw/zinc/83/49/34/394834934.db2.gz YMAKPQSCSBDOEO-LLVKDONJSA-N 1 0 252.314 2.154 20 5 CEBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000125220954 394842330 /nfs/dbraw/zinc/84/23/30/394842330.db2.gz NYRYCWHTXPBKHU-SWLSCSKDSA-N 1 0 278.352 2.230 20 5 CEBDRO Cc1c([C@@H](C)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339172 394891059 /nfs/dbraw/zinc/89/10/59/394891059.db2.gz ZHONLOPBQDSKDX-ZWNOBZJWSA-N 1 0 263.341 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415479138 394935794 /nfs/dbraw/zinc/93/57/94/394935794.db2.gz DXMNOJKCIBVSFQ-LLVKDONJSA-N 1 0 292.339 2.070 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415492510 394937311 /nfs/dbraw/zinc/93/73/11/394937311.db2.gz CFIGSYAVYRCOLU-LBPRGKRZSA-N 1 0 294.355 2.398 20 5 CEBDRO C[C@@H](CO)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108621 394944261 /nfs/dbraw/zinc/94/42/61/394944261.db2.gz QXNBNNSIVFBCFQ-NSHDSACASA-N 1 0 294.351 2.426 20 5 CEBDRO CC(C)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285901508 394982010 /nfs/dbraw/zinc/98/20/10/394982010.db2.gz GXDFGCMMLDWQFB-UHFFFAOYSA-N 1 0 299.321 2.399 20 5 CEBDRO CCOC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000286028422 395002697 /nfs/dbraw/zinc/00/26/97/395002697.db2.gz HUAFJTDKQNGJDJ-LSDHHAIUSA-N 1 0 296.367 2.279 20 5 CEBDRO CC(C)C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000370286207 395006390 /nfs/dbraw/zinc/00/63/90/395006390.db2.gz TVBVALSSUQBIBI-UHFFFAOYSA-N 1 0 292.383 2.345 20 5 CEBDRO C[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286305720 395019315 /nfs/dbraw/zinc/01/93/15/395019315.db2.gz YUUYTYYBVZAPCL-UHFFFAOYSA-N 1 0 293.352 2.106 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335825 395020680 /nfs/dbraw/zinc/02/06/80/395020680.db2.gz LSRLQHPGIYIEBU-NXEZZACHSA-N 1 0 282.369 2.114 20 5 CEBDRO CCC[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367169286 394958475 /nfs/dbraw/zinc/95/84/75/394958475.db2.gz CPYLSQGACJYZSJ-UHFFFAOYSA-N 1 0 278.356 2.099 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000374988942 395089395 /nfs/dbraw/zinc/08/93/95/395089395.db2.gz OUNRFGPOZJNGFV-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000346399871 395098578 /nfs/dbraw/zinc/09/85/78/395098578.db2.gz GJYKNMFZTRYKDG-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000158444932 395045615 /nfs/dbraw/zinc/04/56/15/395045615.db2.gz AJDUYWNMGKAHSW-VHSXEESVSA-N 1 0 289.339 2.366 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346692058 395104690 /nfs/dbraw/zinc/10/46/90/395104690.db2.gz XNQVOHIPMJHTLK-AAEUAGOBSA-N 1 0 292.335 2.287 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417847640 395144794 /nfs/dbraw/zinc/14/47/94/395144794.db2.gz KECYBVSYNBIMJT-JTQLQIEISA-N 1 0 294.355 2.001 20 5 CEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000177826470 395156895 /nfs/dbraw/zinc/15/68/95/395156895.db2.gz LBFRXXLXZXVGDH-DOMZBBRYSA-N 1 0 286.335 2.484 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000351917081 395239734 /nfs/dbraw/zinc/23/97/34/395239734.db2.gz LGQBAPIVSGJJAV-KBPBESRZSA-N 1 0 291.351 2.256 20 5 CEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000439116479 395250030 /nfs/dbraw/zinc/25/00/30/395250030.db2.gz GMRPCDNCMJDWIX-CQSZACIVSA-N 1 0 295.383 2.408 20 5 CEBDRO CCn1nccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000179315814 395190482 /nfs/dbraw/zinc/19/04/82/395190482.db2.gz NMSLCBREHACRST-UHFFFAOYSA-N 1 0 274.324 2.443 20 5 CEBDRO O=[N+]([O-])c1ccccc1CN(Cc1c[nH]cn1)C1CC1 ZINC000179318540 395190941 /nfs/dbraw/zinc/19/09/41/395190941.db2.gz PQEVEEPZNCZOLG-UHFFFAOYSA-N 1 0 272.308 2.483 20 5 CEBDRO COCCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000180417696 395202448 /nfs/dbraw/zinc/20/24/48/395202448.db2.gz DWRLLJSPMWYYTH-LLVKDONJSA-N 1 0 252.314 2.500 20 5 CEBDRO CCC[C@H]([NH2+]C1CN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000519698475 395209775 /nfs/dbraw/zinc/20/97/75/395209775.db2.gz AEDDKKJTABZMMZ-HNNXBMFYSA-N 1 0 291.351 2.256 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000420275851 395288266 /nfs/dbraw/zinc/28/82/66/395288266.db2.gz HCDCHWYOHCJYNF-RKDXNWHRSA-N 1 0 268.292 2.058 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[NH2+]CC1 ZINC000420278969 395291417 /nfs/dbraw/zinc/29/14/17/395291417.db2.gz WRPJYXYQJYRAQR-LBPRGKRZSA-N 1 0 263.341 2.260 20 5 CEBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408112961 395292260 /nfs/dbraw/zinc/29/22/60/395292260.db2.gz OYZFTNOMHVPLPB-NSHDSACASA-N 1 0 286.335 2.283 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313657 395318444 /nfs/dbraw/zinc/31/84/44/395318444.db2.gz PPJZNDMWDXBPDT-UPJWGTAASA-N 1 0 275.352 2.115 20 5 CEBDRO C[NH2+]CCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000420392165 395367776 /nfs/dbraw/zinc/36/77/76/395367776.db2.gz ULBQJSUTIBVZOT-UHFFFAOYSA-N 1 0 295.383 2.423 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434960593 395340387 /nfs/dbraw/zinc/34/03/87/395340387.db2.gz VICRYCRITHJILI-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO Cc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444733718 395450704 /nfs/dbraw/zinc/45/07/04/395450704.db2.gz MFWLDCFFTOLTST-UHFFFAOYSA-N 1 0 292.314 2.371 20 5 CEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258088 395600328 /nfs/dbraw/zinc/60/03/28/395600328.db2.gz AFBVNWHALSESAE-OCCSQVGLSA-N 1 0 294.351 2.196 20 5 CEBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449458332 395549402 /nfs/dbraw/zinc/54/94/02/395549402.db2.gz JAGLTEWXLJZUDS-ZFWWWQNUSA-N 1 0 294.351 2.044 20 5 CEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000568474118 395561406 /nfs/dbraw/zinc/56/14/06/395561406.db2.gz CPLRXJLNTGXKTP-WCQYABFASA-N 1 0 276.340 2.053 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]1OCC ZINC000574025070 395624649 /nfs/dbraw/zinc/62/46/49/395624649.db2.gz YNPBGAORHCIBTG-TZMCWYRMSA-N 1 0 280.324 2.261 20 5 CEBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000590570312 400614967 /nfs/dbraw/zinc/61/49/67/400614967.db2.gz WLBFBBAPEYISTQ-BXUZGUMPSA-N 1 0 263.341 2.432 20 5 CEBDRO CCCC[C@@H]([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000224944247 153327781 /nfs/dbraw/zinc/32/77/81/153327781.db2.gz JCGMTBUPSMFVLB-LLVKDONJSA-N 1 0 251.286 2.051 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316609 153391601 /nfs/dbraw/zinc/39/16/01/153391601.db2.gz BTDIJVXDQGROHS-ZIAGYGMSSA-N 1 0 262.309 2.252 20 5 CEBDRO C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C[NH3+] ZINC000261684029 153806662 /nfs/dbraw/zinc/80/66/62/153806662.db2.gz HDIVSDMXFIEQAF-IINYFYTJSA-N 1 0 281.331 2.293 20 5 CEBDRO CC(C)(O)C(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000359513850 155038381 /nfs/dbraw/zinc/03/83/81/155038381.db2.gz HTINONYZMDVUPX-UHFFFAOYSA-N 1 0 270.304 2.373 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@]12CCOC2 ZINC000367459134 156189718 /nfs/dbraw/zinc/18/97/18/156189718.db2.gz QVUJFOXXVWSNPX-OAHLLOKOSA-N 1 0 292.335 2.229 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000376199520 157197560 /nfs/dbraw/zinc/19/75/60/157197560.db2.gz VSPBZCMRDUWZFP-KQIUPUNMSA-N 1 0 298.346 2.478 20 5 CEBDRO C[C@H]1C[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000548424408 298409625 /nfs/dbraw/zinc/40/96/25/298409625.db2.gz FDVDMYVGGQABSY-QWRGUYRKSA-N 1 0 250.298 2.456 20 5 CEBDRO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000163742008 162333605 /nfs/dbraw/zinc/33/36/05/162333605.db2.gz FFTKUXLBDJFEKP-GHMZBOCLSA-N 1 0 292.339 2.043 20 5 CEBDRO CC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000170915861 162373814 /nfs/dbraw/zinc/37/38/14/162373814.db2.gz VPMAWWHYJLTWLR-NSHDSACASA-N 1 0 291.351 2.214 20 5 CEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174699639 165115375 /nfs/dbraw/zinc/11/53/75/165115375.db2.gz XBIPOGHBJWZYKF-HNNXBMFYSA-N 1 0 277.368 2.367 20 5 CEBDRO CCS[C@@H]1CCCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174858391 165119328 /nfs/dbraw/zinc/11/93/28/165119328.db2.gz MGSNZRVPGAGKPT-CYBMUJFWSA-N 1 0 298.412 2.399 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000261973536 165503025 /nfs/dbraw/zinc/50/30/25/165503025.db2.gz QOEUAVARDYTVLP-JTQLQIEISA-N 1 0 269.732 2.042 20 5 CEBDRO Cc1nccn1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291519 196022080 /nfs/dbraw/zinc/02/20/80/196022080.db2.gz XXKPNETZAKJNHF-JTQLQIEISA-N 1 0 289.339 2.033 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020373658 171169478 /nfs/dbraw/zinc/16/94/78/171169478.db2.gz MRSYCLOQUCXSTL-SWHYSGLUSA-N 1 0 289.335 2.454 20 5 CEBDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526178 171238998 /nfs/dbraw/zinc/23/89/98/171238998.db2.gz BGTGMXQWZZDMHL-GFCCVEGCSA-N 1 0 263.341 2.341 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCCC1 ZINC000026157709 171473673 /nfs/dbraw/zinc/47/36/73/171473673.db2.gz XOOWQPLAGXXTAM-UHFFFAOYSA-N 1 0 293.323 2.028 20 5 CEBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032207 196182012 /nfs/dbraw/zinc/18/20/12/196182012.db2.gz HUQPQRLABCDBBU-NHCYSSNCSA-N 1 0 279.340 2.253 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285304319 196245727 /nfs/dbraw/zinc/24/57/27/196245727.db2.gz SFELOFYKWVCVRP-JFGNBEQYSA-N 1 0 279.340 2.395 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285470073 196294902 /nfs/dbraw/zinc/29/49/02/196294902.db2.gz KLOCYKHIYLVFHP-WCQYABFASA-N 1 0 294.351 2.366 20 5 CEBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000285999689 196466532 /nfs/dbraw/zinc/46/65/32/196466532.db2.gz GEFOYAUYDCENJB-MNOVXSKESA-N 1 0 284.385 2.055 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038045600 174054038 /nfs/dbraw/zinc/05/40/38/174054038.db2.gz JJQXOINYYXCCJC-ZDUSSCGKSA-N 1 0 264.325 2.154 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000040623750 174355599 /nfs/dbraw/zinc/35/55/99/174355599.db2.gz YTCAFNPCFXFTOM-LLVKDONJSA-N 1 0 264.329 2.132 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044500167 175185060 /nfs/dbraw/zinc/18/50/60/175185060.db2.gz FOBKUYOOYYISOV-NSHDSACASA-N 1 0 274.324 2.222 20 5 CEBDRO COCCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000044694079 175235033 /nfs/dbraw/zinc/23/50/33/175235033.db2.gz NHGAYWDSYSBJKS-UHFFFAOYSA-N 1 0 288.731 2.001 20 5 CEBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049558641 175488096 /nfs/dbraw/zinc/48/80/96/175488096.db2.gz NHEDWFKNLHMAEK-VIFPVBQESA-N 1 0 255.293 2.486 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000076494197 177028762 /nfs/dbraw/zinc/02/87/62/177028762.db2.gz BTLRKPJFOANUAR-UHFFFAOYSA-N 1 0 252.314 2.418 20 5 CEBDRO COCCC[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000078372741 177335650 /nfs/dbraw/zinc/33/56/50/177335650.db2.gz FDONRWDDTWDYKZ-UHFFFAOYSA-N 1 0 285.319 2.114 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425357539 264069255 /nfs/dbraw/zinc/06/92/55/264069255.db2.gz PCSQSKKUODHWFV-GFCCVEGCSA-N 1 0 287.323 2.011 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccnc2)c1 ZINC000037502656 270225404 /nfs/dbraw/zinc/22/54/04/270225404.db2.gz BXKYQEROUDLPCN-UHFFFAOYSA-N 1 0 257.293 2.322 20 5 CEBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000237137859 270320026 /nfs/dbraw/zinc/32/00/26/270320026.db2.gz ZSDGYJZVERKKPG-ZWNOBZJWSA-N 1 0 291.351 2.109 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000420288957 270505261 /nfs/dbraw/zinc/50/52/61/270505261.db2.gz SPJVGKYCOHSNJZ-QWRGUYRKSA-N 1 0 290.367 2.492 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000430232996 271365418 /nfs/dbraw/zinc/36/54/18/271365418.db2.gz JBLMEGNQTDZPTG-YGRLFVJLSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430573164 271391563 /nfs/dbraw/zinc/39/15/63/271391563.db2.gz QADHWBARZKCGQX-GHMZBOCLSA-N 1 0 281.331 2.293 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496234 273638043 /nfs/dbraw/zinc/63/80/43/273638043.db2.gz IFCWSBMLUODIMI-LLVKDONJSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000296137961 273744250 /nfs/dbraw/zinc/74/42/50/273744250.db2.gz XAMVVGWPJGQNQO-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349215864 274333687 /nfs/dbraw/zinc/33/36/87/274333687.db2.gz JEPYERFGISALJF-SECBINFHSA-N 1 0 269.732 2.389 20 5 CEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CCC[NH2+]C1 ZINC000236145854 275040633 /nfs/dbraw/zinc/04/06/33/275040633.db2.gz MJKSSWHXBPSZLI-SSDOTTSWSA-N 1 0 290.245 2.173 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000157842162 275042069 /nfs/dbraw/zinc/04/20/69/275042069.db2.gz PJWPXSABZSPNCR-CQSZACIVSA-N 1 0 286.335 2.281 20 5 CEBDRO CC(C)c1ccc(CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000346673290 276053003 /nfs/dbraw/zinc/05/30/03/276053003.db2.gz WLWAVSQIDDIKMY-UHFFFAOYSA-N 1 0 263.341 2.123 20 5 CEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cn1 ZINC000267507694 276234214 /nfs/dbraw/zinc/23/42/14/276234214.db2.gz AQRLAPNKPBNLCK-OLZOCXBDSA-N 1 0 290.367 2.361 20 5 CEBDRO C[NH2+][C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010226 277042040 /nfs/dbraw/zinc/04/20/40/277042040.db2.gz FPAUYESFKVUONI-VIFPVBQESA-N 1 0 297.742 2.072 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272232311 277178978 /nfs/dbraw/zinc/17/89/78/277178978.db2.gz UXCUSNBRWBDQEH-CABZTGNLSA-N 1 0 296.758 2.174 20 5 CEBDRO C[N@H+]1C[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000293182556 277198732 /nfs/dbraw/zinc/19/87/32/277198732.db2.gz TYAQZUCZYZFJQG-AOOOYVTPSA-N 1 0 281.743 2.246 20 5 CEBDRO CC(=O)c1ccc(N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000053245570 278246436 /nfs/dbraw/zinc/24/64/36/278246436.db2.gz OOZNKLPLAPZTTJ-CYBMUJFWSA-N 1 0 291.351 2.328 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330841055 278511003 /nfs/dbraw/zinc/51/10/03/278511003.db2.gz NHGVREJEXAREKT-IAZYJMLFSA-N 1 0 266.345 2.243 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272070214 279090588 /nfs/dbraw/zinc/09/05/88/279090588.db2.gz FFJXCYVETXEWAI-NSHDSACASA-N 1 0 279.340 2.114 20 5 CEBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000344323866 279093340 /nfs/dbraw/zinc/09/33/40/279093340.db2.gz JVYHUDQVGPBXKK-RISCZKNCSA-N 1 0 263.341 2.167 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996091 279500594 /nfs/dbraw/zinc/50/05/94/279500594.db2.gz RIRKPWYDIGRTNG-SCRDCRAPSA-N 1 0 294.351 2.033 20 5 CEBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766522 279596475 /nfs/dbraw/zinc/59/64/75/279596475.db2.gz AMQSANDHXDDNSP-KWBADKCTSA-N 1 0 279.340 2.145 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316957 280364483 /nfs/dbraw/zinc/36/44/83/280364483.db2.gz MSRGEVWUYQATEE-UONOGXRCSA-N 1 0 262.309 2.252 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCOCC2)cs1 ZINC000397859730 280686057 /nfs/dbraw/zinc/68/60/57/280686057.db2.gz WYILZBSMVKWOHF-UHFFFAOYSA-N 1 0 254.311 2.093 20 5 CEBDRO C[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000422830263 280929421 /nfs/dbraw/zinc/92/94/21/280929421.db2.gz VQLSWOQHPWJVOY-UHFFFAOYSA-N 1 0 291.351 2.036 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000178175575 281010623 /nfs/dbraw/zinc/01/06/23/281010623.db2.gz AOCQBCGIFXAWPN-UHFFFAOYSA-N 1 0 290.367 2.363 20 5 CEBDRO Cc1ccc([C@@H](C)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423331107 281024485 /nfs/dbraw/zinc/02/44/85/281024485.db2.gz UQXVREGBBHMCQN-ZWNOBZJWSA-N 1 0 263.341 2.291 20 5 CEBDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423464550 281048069 /nfs/dbraw/zinc/04/80/69/281048069.db2.gz MEPFDYWAFMFWPE-PWSUYJOCSA-N 1 0 251.330 2.291 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423946801 281107933 /nfs/dbraw/zinc/10/79/33/281107933.db2.gz JUCZHDIUJCPOJZ-CQSZACIVSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000430636100 281271919 /nfs/dbraw/zinc/27/19/19/281271919.db2.gz XNUOUNSIIQTMGT-GXFFZTMASA-N 1 0 281.331 2.436 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1CCOCC1)CC2 ZINC000432844446 281348083 /nfs/dbraw/zinc/34/80/83/281348083.db2.gz XRBMSGDJWLKGMR-UHFFFAOYSA-N 1 0 291.351 2.165 20 5 CEBDRO Cc1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445090 281390192 /nfs/dbraw/zinc/39/01/92/281390192.db2.gz CLWWDCXLEBCULD-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293594375 292676958 /nfs/dbraw/zinc/67/69/58/292676958.db2.gz FQPDBFRNUZWCKM-VHSXEESVSA-N 1 0 267.329 2.253 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC000152193565 289080299 /nfs/dbraw/zinc/08/02/99/289080299.db2.gz CRPUIJPDDJQDEK-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO Cc1sc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457211922 289742572 /nfs/dbraw/zinc/74/25/72/289742572.db2.gz SDZALINUFLJHAJ-UHFFFAOYSA-N 1 0 285.369 2.035 20 5 CEBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000459614893 290195422 /nfs/dbraw/zinc/19/54/22/290195422.db2.gz OLBNGWCORMQPNO-YPMHNXCESA-N 1 0 266.345 2.350 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000272143830 290234157 /nfs/dbraw/zinc/23/41/57/290234157.db2.gz BWNXGLURUJKNEN-GXFFZTMASA-N 1 0 279.315 2.264 20 5 CEBDRO Cc1nc(N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000189077836 293295360 /nfs/dbraw/zinc/29/53/60/293295360.db2.gz IOIXCALWKNELLM-CYBMUJFWSA-N 1 0 290.367 2.363 20 5 CEBDRO COc1cccc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000372189095 295306188 /nfs/dbraw/zinc/30/61/88/295306188.db2.gz VSUXYUPOXCXAEQ-DGCLKSJQSA-N 1 0 291.351 2.134 20 5 CEBDRO COC(C)(C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000531830601 298122861 /nfs/dbraw/zinc/12/28/61/298122861.db2.gz XNJCBPGZPRZWJQ-UHFFFAOYSA-N 1 0 252.314 2.452 20 5 CEBDRO CC1(C)CC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564869356 298857250 /nfs/dbraw/zinc/85/72/50/298857250.db2.gz VBKSBASQFQKSDJ-GXTWGEPZSA-N 1 0 294.351 2.113 20 5 CEBDRO CC(C)[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000564941427 298863721 /nfs/dbraw/zinc/86/37/21/298863721.db2.gz WECHZHXCGHFGJM-UHFFFAOYSA-N 1 0 299.758 2.366 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000532248269 313343418 /nfs/dbraw/zinc/34/34/18/313343418.db2.gz SNFXJDMAMBLGRZ-BXUZGUMPSA-N 1 0 291.351 2.175 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259231 313990069 /nfs/dbraw/zinc/99/00/69/313990069.db2.gz WRSJWSWFBWKROD-ZWNOBZJWSA-N 1 0 264.325 2.333 20 5 CEBDRO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H](C)[NH3+] ZINC000570454709 314041600 /nfs/dbraw/zinc/04/16/00/314041600.db2.gz PKAFTNWASWZKHL-MNOVXSKESA-N 1 0 291.351 2.069 20 5 CEBDRO CC(C)=CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578064675 314441667 /nfs/dbraw/zinc/44/16/67/314441667.db2.gz PIZRSJGCQPHBFC-ZDUSSCGKSA-N 1 0 294.351 2.280 20 5 CEBDRO Cc1cc(=O)n(CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000578380227 314474965 /nfs/dbraw/zinc/47/49/65/314474965.db2.gz WVIYOYXAHLUIPX-VXGBXAGGSA-N 1 0 293.367 2.043 20 5 CEBDRO CCOc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138500 314554695 /nfs/dbraw/zinc/55/46/95/314554695.db2.gz SMTABLUKZHPGIA-UONOGXRCSA-N 1 0 294.351 2.243 20 5 CEBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000387496381 321878641 /nfs/dbraw/zinc/87/86/41/321878641.db2.gz XBCQCDPMUQAYOU-ZYHUDNBSSA-N 1 0 252.314 2.152 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412093957 533806005 /nfs/dbraw/zinc/80/60/05/533806005.db2.gz SAPDEDVMLOIXFX-DGCLKSJQSA-N 1 0 294.351 2.196 20 5 CEBDRO C[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000053201710 522497623 /nfs/dbraw/zinc/49/76/23/522497623.db2.gz MOMMWIHBACBXEC-RYUDHWBXSA-N 1 0 263.341 2.340 20 5 CEBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccco1 ZINC000067949175 522089590 /nfs/dbraw/zinc/08/95/90/522089590.db2.gz NRJRGERZXGHYSA-LLVKDONJSA-N 1 0 276.296 2.298 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650016 525271448 /nfs/dbraw/zinc/27/14/48/525271448.db2.gz JSBDAIVAYOVGRJ-ZJUUUORDSA-N 1 0 290.323 2.128 20 5 CEBDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000148770387 525467643 /nfs/dbraw/zinc/46/76/43/525467643.db2.gz LQQAKVYSCMZUKZ-LLVKDONJSA-N 1 0 274.324 2.222 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000070231885 527140408 /nfs/dbraw/zinc/14/04/08/527140408.db2.gz BAPPJDWMOIRGDK-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000363451726 527387065 /nfs/dbraw/zinc/38/70/65/527387065.db2.gz WWONRQGRBGWIGS-KGLIPLIRSA-N 1 0 276.336 2.453 20 5 CEBDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415428442 528417945 /nfs/dbraw/zinc/41/79/45/528417945.db2.gz HHEVKSRKJXACJW-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO CCC[NH2+]CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414658590 528506390 /nfs/dbraw/zinc/50/63/90/528506390.db2.gz LGLKJQVFTQVQMA-UHFFFAOYSA-N 1 0 280.328 2.024 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CO1 ZINC000417962572 529139336 /nfs/dbraw/zinc/13/93/36/529139336.db2.gz ZUFCWLNLRJNTIM-GFCCVEGCSA-N 1 0 264.325 2.294 20 5 CEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000281664471 536346995 /nfs/dbraw/zinc/34/69/95/536346995.db2.gz JIIOOWDDQXEQQO-UHFFFAOYSA-N 1 0 297.380 2.214 20 5 CEBDRO CCOCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741773329 574997273 /nfs/dbraw/zinc/99/72/73/574997273.db2.gz SZWBEXLKXLIFQS-UHFFFAOYSA-N 1 0 293.367 2.143 20 5 CEBDRO COC1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753667212 575333894 /nfs/dbraw/zinc/33/38/94/575333894.db2.gz SPWKLYKLBCCZCE-ZALBZXLWSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000235392461 625378009 /nfs/dbraw/zinc/37/80/09/625378009.db2.gz NNXMTXFSNFDBJX-SSDOTTSWSA-N 1 0 273.695 2.185 20 5 CEBDRO CCCC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892480021 625611611 /nfs/dbraw/zinc/61/16/11/625611611.db2.gz XNGKDINJEZKYOP-UHFFFAOYSA-N 1 0 254.286 2.199 20 5 CEBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932971900 623430495 /nfs/dbraw/zinc/43/04/95/623430495.db2.gz AVQVQLMZDBTIAL-ZDUSSCGKSA-N 1 0 280.324 2.214 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891799274 623979122 /nfs/dbraw/zinc/97/91/22/623979122.db2.gz VDZVNSMGDVLILE-SECBINFHSA-N 1 0 266.297 2.151 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892012129 624249038 /nfs/dbraw/zinc/24/90/38/624249038.db2.gz AISAPUGTYFLUPF-VIFPVBQESA-N 1 0 266.297 2.293 20 5 CEBDRO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000051694670 624523598 /nfs/dbraw/zinc/52/35/98/624523598.db2.gz CEZAPPLWBNTQHA-UHFFFAOYSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](O)[C@H](F)C1 ZINC000934566065 624591098 /nfs/dbraw/zinc/59/10/98/624591098.db2.gz DPCCXNXIJJDSNV-ZLKJLUDKSA-N 1 0 282.315 2.369 20 5 CEBDRO Cc1nn(CN(C)[C@H](C)C2(C)CC2)c(C)c1[N+](=O)[O-] ZINC000176833966 625090195 /nfs/dbraw/zinc/09/01/95/625090195.db2.gz ACVIVKPGLBMOTF-LLVKDONJSA-N 1 0 266.345 2.486 20 5 CEBDRO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251832068 625092021 /nfs/dbraw/zinc/09/20/21/625092021.db2.gz PQEHFCGITRJVSO-BXKDBHETSA-N 1 0 283.759 2.417 20 5 CEBDRO CN(CC[NH+](C)C)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000892777837 627770128 /nfs/dbraw/zinc/77/01/28/627770128.db2.gz TYDORVSOHZVZCP-UHFFFAOYSA-N 1 0 292.314 2.280 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000892875957 627825763 /nfs/dbraw/zinc/82/57/63/627825763.db2.gz LKLUBMCKFZEYPC-UWVGGRQHSA-N 1 0 292.339 2.036 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926890896 627946383 /nfs/dbraw/zinc/94/63/83/627946383.db2.gz GRZLVHHUEAUTQW-OSAQELSMSA-N 1 0 275.352 2.340 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000893110018 628010535 /nfs/dbraw/zinc/01/05/35/628010535.db2.gz FEFZGVRPOUURQI-SNVBAGLBSA-N 1 0 298.364 2.294 20 5 CEBDRO O=[N+]([O-])CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000930964721 628320834 /nfs/dbraw/zinc/32/08/34/628320834.db2.gz HDMWDLFDUHQXHU-CQSZACIVSA-N 1 0 298.770 2.298 20 5 CEBDRO C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000902429036 634650300 /nfs/dbraw/zinc/65/03/00/634650300.db2.gz JJIDYFXBEBDGDZ-YRGRVCCFSA-N 1 0 277.368 2.428 20 5 CEBDRO C[N@@H+]1C[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941115 629055780 /nfs/dbraw/zinc/05/57/80/629055780.db2.gz QTLGBMLPDRNZNX-TVQRCGJNSA-N 1 0 281.743 2.389 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261694505 629086070 /nfs/dbraw/zinc/08/60/70/629086070.db2.gz HTAGXOYLAGRENH-AWEZNQCLSA-N 1 0 263.341 2.074 20 5 CEBDRO C[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000047252639 629153938 /nfs/dbraw/zinc/15/39/38/629153938.db2.gz JARMOSRCCRQCHE-UHFFFAOYSA-N 1 0 260.297 2.244 20 5 CEBDRO C[C@@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000261798907 629245475 /nfs/dbraw/zinc/24/54/75/629245475.db2.gz OBUGRLUKZZOIBU-ZDUSSCGKSA-N 1 0 283.759 2.419 20 5 CEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CC[NH2+]C1 ZINC000261958480 629395325 /nfs/dbraw/zinc/39/53/25/629395325.db2.gz GYJNIXGWAJJYAJ-OAHLLOKOSA-N 1 0 277.368 2.069 20 5 CEBDRO CCC[C@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894663937 629578635 /nfs/dbraw/zinc/57/86/35/629578635.db2.gz OVANBEKNEGZGKR-LLVKDONJSA-N 1 0 298.339 2.214 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928430737 629588289 /nfs/dbraw/zinc/58/82/89/629588289.db2.gz ITYGFTZWIIJFKB-DGCLKSJQSA-N 1 0 291.351 2.034 20 5 CEBDRO CC/C=C/C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894705371 629602218 /nfs/dbraw/zinc/60/22/18/629602218.db2.gz ZNXGEJZFERBRJP-SNAWJCMRSA-N 1 0 266.297 2.365 20 5 CEBDRO CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647194 629641529 /nfs/dbraw/zinc/64/15/29/629641529.db2.gz BRFHKNIHRVAPSV-WCQYABFASA-N 1 0 250.298 2.113 20 5 CEBDRO C[N@H+](CCC(=O)C1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000796110938 629775333 /nfs/dbraw/zinc/77/53/33/629775333.db2.gz DGMDCUSLVKYOFA-UHFFFAOYSA-N 1 0 276.336 2.438 20 5 CEBDRO CCC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895059308 629832638 /nfs/dbraw/zinc/83/26/38/629832638.db2.gz SLWHEZXKKLEHFI-SNVBAGLBSA-N 1 0 284.747 2.222 20 5 CEBDRO CC1(C)C[N@H+](Cn2nccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000902674270 634770315 /nfs/dbraw/zinc/77/03/15/634770315.db2.gz PJFXKGGPXBSQKS-WDEREUQCSA-N 1 0 264.329 2.259 20 5 CEBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C(C)(C)C ZINC000895102079 629899615 /nfs/dbraw/zinc/89/96/15/629899615.db2.gz TUJXBUCJFMYDOY-GFCCVEGCSA-N 1 0 278.356 2.156 20 5 CEBDRO C[NH+](C)CC[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000895324469 630111926 /nfs/dbraw/zinc/11/19/26/630111926.db2.gz HONNWTBXVNLFRZ-JTQLQIEISA-N 1 0 269.370 2.434 20 5 CEBDRO COc1c(O)ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000895434062 630183185 /nfs/dbraw/zinc/18/31/85/630183185.db2.gz OOQQOIJCVIQWKN-IAZYJMLFSA-N 1 0 278.308 2.197 20 5 CEBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736479 630326653 /nfs/dbraw/zinc/32/66/53/630326653.db2.gz JDEUGPLNJCCHGL-DTWKUNHWSA-N 1 0 255.343 2.469 20 5 CEBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895785569 630344196 /nfs/dbraw/zinc/34/41/96/630344196.db2.gz VBCDASLIJNAELY-QRWZIGQESA-N 1 0 290.367 2.377 20 5 CEBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000896650470 630624996 /nfs/dbraw/zinc/62/49/96/630624996.db2.gz IHAVKIJIWUNRMO-CYBMUJFWSA-N 1 0 292.383 2.465 20 5 CEBDRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526181 630693458 /nfs/dbraw/zinc/69/34/58/630693458.db2.gz OVMNUXKVFBBBRP-LBPRGKRZSA-N 1 0 291.351 2.258 20 5 CEBDRO Cc1ccc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896913965 630799091 /nfs/dbraw/zinc/79/90/91/630799091.db2.gz ZKUOQDXUMAAMDH-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO C[N@@H+]1C[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000896914448 630800309 /nfs/dbraw/zinc/80/03/09/630800309.db2.gz GXEZGPFQANALMX-OTYXRUKQSA-N 1 0 297.305 2.261 20 5 CEBDRO C[NH+]1CCC2(CCN2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000897136418 630958611 /nfs/dbraw/zinc/95/86/11/630958611.db2.gz BOXCKLLRGNNYBJ-UHFFFAOYSA-N 1 0 261.325 2.269 20 5 CEBDRO Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000897248854 631016926 /nfs/dbraw/zinc/01/69/26/631016926.db2.gz FLNXEVZWDADREV-UHFFFAOYSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](C)CCO)c1ccccc1[N+](=O)[O-] ZINC000897461288 631530894 /nfs/dbraw/zinc/53/08/94/631530894.db2.gz ZIVLFBKLPSXRKQ-QWRGUYRKSA-N 1 0 252.314 2.059 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)C1CC1 ZINC000807936366 631890204 /nfs/dbraw/zinc/89/02/04/631890204.db2.gz MCCABWAGLLWZPI-UHFFFAOYSA-N 1 0 277.324 2.304 20 5 CEBDRO CC(C)C(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000808754542 632013873 /nfs/dbraw/zinc/01/38/73/632013873.db2.gz STOGPBPRPWRBHN-UHFFFAOYSA-N 1 0 294.355 2.043 20 5 CEBDRO Cc1noc(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735028 632134625 /nfs/dbraw/zinc/13/46/25/632134625.db2.gz QGNYSVFBWPQFIT-UHFFFAOYSA-N 1 0 290.323 2.165 20 5 CEBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810853160 632290374 /nfs/dbraw/zinc/29/03/74/632290374.db2.gz PSIQPCAFYSGXOH-UONOGXRCSA-N 1 0 290.319 2.378 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C/C=C/Cl)CC2)cn1 ZINC000898430228 632493329 /nfs/dbraw/zinc/49/33/29/632493329.db2.gz XEWQNTRGFSQUKE-LZCJLJQNSA-N 1 0 296.758 2.301 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000814928842 632932520 /nfs/dbraw/zinc/93/25/20/632932520.db2.gz MEVGOUSCNRNTFQ-AOOOYVTPSA-N 1 0 297.330 2.271 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C12CC[NH+](CC1)C2 ZINC000899936874 633136941 /nfs/dbraw/zinc/13/69/41/633136941.db2.gz JBDIBEWJBJORSM-UHFFFAOYSA-N 1 0 289.335 2.246 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000819271114 634123171 /nfs/dbraw/zinc/12/31/71/634123171.db2.gz NTCWZKLGBVFCTO-RQJABVFESA-N 1 0 262.309 2.016 20 5 CEBDRO CC1(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819275427 634124600 /nfs/dbraw/zinc/12/46/00/634124600.db2.gz UTMJFQNMPGMZJH-ZDUSSCGKSA-N 1 0 264.325 2.408 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000819369802 634159420 /nfs/dbraw/zinc/15/94/20/634159420.db2.gz NSWBOMBQKABWQZ-MGPQQGTHSA-N 1 0 282.315 2.499 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056190 634948188 /nfs/dbraw/zinc/94/81/88/634948188.db2.gz RIOYOQFVTLXCHI-MFKMUULPSA-N 1 0 280.324 2.433 20 5 CEBDRO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822646382 634962254 /nfs/dbraw/zinc/96/22/54/634962254.db2.gz GDGICVGSUPFCQL-KOLCDFICSA-N 1 0 288.307 2.034 20 5 CEBDRO C[C@@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)[C@H](C)[NH3+] ZINC000822646426 634962372 /nfs/dbraw/zinc/96/23/72/634962372.db2.gz HAGXBZBJDKFWKN-BDAKNGLRSA-N 1 0 276.296 2.019 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000903090787 634964273 /nfs/dbraw/zinc/96/42/73/634964273.db2.gz HIVDTCKRAKZGRH-MNOVXSKESA-N 1 0 281.356 2.204 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903114172 634978165 /nfs/dbraw/zinc/97/81/65/634978165.db2.gz VNIZCBXIQPWASV-GWCFXTLKSA-N 1 0 282.340 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128499 634983985 /nfs/dbraw/zinc/98/39/85/634983985.db2.gz ZSTFNICZSNQABW-MWLCHTKSSA-N 1 0 266.297 2.043 20 5 CEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000903158873 634992920 /nfs/dbraw/zinc/99/29/20/634992920.db2.gz WCNXCFSXALTJGU-COPLHBTASA-N 1 0 294.351 2.415 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)cc([N+](=O)[O-])c1 ZINC000903182969 635001341 /nfs/dbraw/zinc/00/13/41/635001341.db2.gz JEXGZUSSMZZGFI-BMIGLBTASA-N 1 0 294.351 2.415 20 5 CEBDRO Cc1c(Cc2noc([C@@H](C)[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000822861245 635014081 /nfs/dbraw/zinc/01/40/81/635014081.db2.gz BLZGUMMVBSYKEJ-WPRPVWTQSA-N 1 0 290.323 2.328 20 5 CEBDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000903245229 635025843 /nfs/dbraw/zinc/02/58/43/635025843.db2.gz KRWQTIPBCQVPKP-QWRGUYRKSA-N 1 0 289.339 2.178 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245666 635026667 /nfs/dbraw/zinc/02/66/67/635026667.db2.gz NIFVOLXMXCXXCP-SMDDNHRTSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@H]([NH3+])[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069626 635059526 /nfs/dbraw/zinc/05/95/26/635059526.db2.gz QXFLYSHGDFUQLP-WDSKDSINSA-N 1 0 268.298 2.157 20 5 CEBDRO Cc1cc(-c2noc([C@@H]3CC[NH2+][C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000823269622 635119253 /nfs/dbraw/zinc/11/92/53/635119253.db2.gz JJTTXVINXSXRNT-JOYOIKCWSA-N 1 0 288.307 2.419 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903553302 635167060 /nfs/dbraw/zinc/16/70/60/635167060.db2.gz STWWMUAMRQUNIB-CQSZACIVSA-N 1 0 293.367 2.163 20 5 CEBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903856408 635307725 /nfs/dbraw/zinc/30/77/25/635307725.db2.gz RGHGMTADCKMJGB-RISCZKNCSA-N 1 0 279.315 2.047 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)s1 ZINC000904110022 635453083 /nfs/dbraw/zinc/45/30/83/635453083.db2.gz KSPBAWYOAUTAPH-FWWHASMVSA-N 1 0 292.320 2.029 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000905131605 635837757 /nfs/dbraw/zinc/83/77/57/635837757.db2.gz BTZINPGZSMGPOC-UHFFFAOYSA-N 1 0 254.717 2.238 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000905197142 635868726 /nfs/dbraw/zinc/86/87/26/635868726.db2.gz VKGBLDORYSSLSK-UHFFFAOYSA-N 1 0 252.289 2.015 20 5 CEBDRO COc1ccccc1[C@H](C[NH2+]CC[N+](=O)[O-])OC(C)C ZINC000905217077 636165254 /nfs/dbraw/zinc/16/52/54/636165254.db2.gz UXCSWLIQMILAJI-AWEZNQCLSA-N 1 0 282.340 2.028 20 5 CEBDRO CC(C)(C)Oc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905410124 636261655 /nfs/dbraw/zinc/26/16/55/636261655.db2.gz YUCGZEGNCJIXGE-UHFFFAOYSA-N 1 0 252.314 2.230 20 5 CEBDRO CC(C)[N@H+](CC[S@](C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000827487510 636331783 /nfs/dbraw/zinc/33/17/83/636331783.db2.gz VMVAXMBDWBHLPJ-IBGZPJMESA-N 1 0 284.381 2.184 20 5 CEBDRO COC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000905615874 636359038 /nfs/dbraw/zinc/35/90/38/636359038.db2.gz GCGYUXNXBJVJSW-HIFRSBDPSA-N 1 0 296.367 2.136 20 5 CEBDRO Cc1ccc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000828988478 636746840 /nfs/dbraw/zinc/74/68/40/636746840.db2.gz YILNOBBECDBXDT-RISCZKNCSA-N 1 0 261.325 2.044 20 5 CEBDRO [NH3+]CCCCCCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000830355031 637046278 /nfs/dbraw/zinc/04/62/78/637046278.db2.gz BVTPSBORUAWKDL-UHFFFAOYSA-N 1 0 287.747 2.319 20 5 CEBDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000876545222 650316336 /nfs/dbraw/zinc/31/63/36/650316336.db2.gz JCFLYZHKEROCFL-ZADCQDASSA-N 1 0 275.308 2.089 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000876545599 650316425 /nfs/dbraw/zinc/31/64/25/650316425.db2.gz PESJRWHZCDIDBX-CMPLNLGQSA-N 1 0 277.324 2.215 20 5 CEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832575126 637617506 /nfs/dbraw/zinc/61/75/06/637617506.db2.gz XPICXYGCONNGQO-QLFBSQMISA-N 1 0 294.351 2.175 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000834383596 637807886 /nfs/dbraw/zinc/80/78/86/637807886.db2.gz UZYAXJWCZMVARS-KBPBESRZSA-N 1 0 262.309 2.113 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000911906586 638474487 /nfs/dbraw/zinc/47/44/87/638474487.db2.gz HLRBHGRLEFPECT-DZGCQCFKSA-N 1 0 289.335 2.456 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+](C)C)cc1Cl ZINC000836353769 638608205 /nfs/dbraw/zinc/60/82/05/638608205.db2.gz KLJSDDUZCHJRCC-VIFPVBQESA-N 1 0 299.758 2.237 20 5 CEBDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000912255278 638618003 /nfs/dbraw/zinc/61/80/03/638618003.db2.gz GAAWFYXJKGVUHL-HNNXBMFYSA-N 1 0 293.367 2.222 20 5 CEBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836855398 638728649 /nfs/dbraw/zinc/72/86/49/638728649.db2.gz NQYJSYUERNNXDA-UHFFFAOYSA-N 1 0 287.404 2.059 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000876835075 650453596 /nfs/dbraw/zinc/45/35/96/650453596.db2.gz RRENKDHGVMOANT-PWSUYJOCSA-N 1 0 291.351 2.082 20 5 CEBDRO Cn1ccc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000227229317 639578136 /nfs/dbraw/zinc/57/81/36/639578136.db2.gz SETFYFGAKLTFOD-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841102695 639579449 /nfs/dbraw/zinc/57/94/49/639579449.db2.gz IPQFTHSUPLICDR-QMMMGPOBSA-N 1 0 298.730 2.061 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000227697087 639602139 /nfs/dbraw/zinc/60/21/39/639602139.db2.gz QSXLFDVVHJJIQC-BXKDBHETSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[NH2+][C@H](C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841063432 639639868 /nfs/dbraw/zinc/63/98/68/639639868.db2.gz JITPAXZXKXWHMT-SECBINFHSA-N 1 0 271.748 2.336 20 5 CEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841103225 639670408 /nfs/dbraw/zinc/67/04/08/639670408.db2.gz NPIBLLYNZHFCHF-QMMMGPOBSA-N 1 0 298.730 2.074 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000063194645 639837094 /nfs/dbraw/zinc/83/70/94/639837094.db2.gz AVQHXLOIDHJEKT-ZWNOBZJWSA-N 1 0 281.331 2.436 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000877046642 650546091 /nfs/dbraw/zinc/54/60/91/650546091.db2.gz NWDWIZZAMHUPIO-JQWIXIFHSA-N 1 0 291.351 2.082 20 5 CEBDRO CS[C@@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877069443 650558506 /nfs/dbraw/zinc/55/85/06/650558506.db2.gz AUCXDNRWYSQFPE-HHISKICNSA-N 1 0 296.396 2.369 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000843049194 640253625 /nfs/dbraw/zinc/25/36/25/640253625.db2.gz IVVORCPGEOZCDQ-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843100522 640280862 /nfs/dbraw/zinc/28/08/62/640280862.db2.gz WAJPTOSICMMXIG-NJZAAPMLSA-N 1 0 296.367 2.015 20 5 CEBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324259417 640379331 /nfs/dbraw/zinc/37/93/31/640379331.db2.gz CFJULRLDOUKUMU-ZIAGYGMSSA-N 1 0 264.325 2.406 20 5 CEBDRO Cc1cc(F)cc(C(=O)N[C@H](C)CCCC[NH3+])c1[N+](=O)[O-] ZINC000843480111 640439577 /nfs/dbraw/zinc/43/95/77/640439577.db2.gz UVDLKXAKLZYGSB-SNVBAGLBSA-N 1 0 297.330 2.290 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000877126360 650585285 /nfs/dbraw/zinc/58/52/85/650585285.db2.gz IXOMNNQVQHTZHW-XWCWTXAISA-N 1 0 294.355 2.040 20 5 CEBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000919251439 641026832 /nfs/dbraw/zinc/02/68/32/641026832.db2.gz ORFATMCZNCGKFT-UHFFFAOYSA-N 1 0 296.298 2.377 20 5 CEBDRO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000174963750 641298975 /nfs/dbraw/zinc/29/89/75/641298975.db2.gz IPHWWFGMUGOZLT-SCZZXKLOSA-N 1 0 252.318 2.096 20 5 CEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000174991786 641300213 /nfs/dbraw/zinc/30/02/13/641300213.db2.gz VAZZSUMAVZRFTL-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877292656 650659888 /nfs/dbraw/zinc/65/98/88/650659888.db2.gz AXKJDHNAOBPTKW-HAQNSBGRSA-N 1 0 291.351 2.211 20 5 CEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3Cc4ccccc4C3)C2)c1 ZINC000877361087 650689376 /nfs/dbraw/zinc/68/93/76/650689376.db2.gz PZQYQLWRZQVUKR-UHFFFAOYSA-N 1 0 298.346 2.252 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877433965 650719396 /nfs/dbraw/zinc/71/93/96/650719396.db2.gz KWQFPOSXLSZJNE-XHDPSFHLSA-N 1 0 278.352 2.414 20 5 CEBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877473566 650737636 /nfs/dbraw/zinc/73/76/36/650737636.db2.gz JVOXEDOKFHSPQY-OLZOCXBDSA-N 1 0 292.335 2.069 20 5 CEBDRO CC[C@H]([NH2+]CCN(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000850481195 642727965 /nfs/dbraw/zinc/72/79/65/642727965.db2.gz YZCSHLDLQFRPEV-ZDUSSCGKSA-N 1 0 267.329 2.129 20 5 CEBDRO COC(OC)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922312457 643020226 /nfs/dbraw/zinc/02/02/26/643020226.db2.gz YYZJAHIYYBWIHC-IOCXFXADSA-N 1 0 280.324 2.205 20 5 CEBDRO C[C@H]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)O1 ZINC000877630790 650823522 /nfs/dbraw/zinc/82/35/22/650823522.db2.gz MSXKBLONRHWDAX-DLOFLVKXSA-N 1 0 294.355 2.042 20 5 CEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000852587064 643483533 /nfs/dbraw/zinc/48/35/33/643483533.db2.gz RGPXDVSFOBFWHM-TYNCELHUSA-N 1 0 294.351 2.128 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923457075 643719730 /nfs/dbraw/zinc/71/97/30/643719730.db2.gz DBCIHUOBPHQKFB-SGMGOOAPSA-N 1 0 275.352 2.340 20 5 CEBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC000923497954 643739494 /nfs/dbraw/zinc/73/94/94/643739494.db2.gz NNBBHNLSYZUMTC-QWRGUYRKSA-N 1 0 281.331 2.151 20 5 CEBDRO O=[N+]([O-])c1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cs1 ZINC000923535210 643752409 /nfs/dbraw/zinc/75/24/09/643752409.db2.gz UVPFBSPLYRXFNU-CYBMUJFWSA-N 1 0 281.381 2.374 20 5 CEBDRO C[NH+](C)C1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853459862 643777888 /nfs/dbraw/zinc/77/78/88/643777888.db2.gz AIWHBQYETUBHHO-UHFFFAOYSA-N 1 0 271.267 2.283 20 5 CEBDRO Cc1c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000877739652 650882688 /nfs/dbraw/zinc/88/26/88/650882688.db2.gz PKWBIRBJBDJJRI-ZBFHGGJFSA-N 1 0 289.379 2.429 20 5 CEBDRO Cc1ccc(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000877743429 650889481 /nfs/dbraw/zinc/88/94/81/650889481.db2.gz KNMMWISUIDGJCD-CABCVRRESA-N 1 0 289.379 2.429 20 5 CEBDRO CC(C)([NH2+]C[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000839024701 644127381 /nfs/dbraw/zinc/12/73/81/644127381.db2.gz ZLVSMGWSPAGMSW-ZDUSSCGKSA-N 1 0 264.325 2.190 20 5 CEBDRO CCOc1cc(CN2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000755064196 644466194 /nfs/dbraw/zinc/46/61/94/644466194.db2.gz JFLGVDREUJBMRR-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO C[NH2+]C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCC1 ZINC000856762456 644712171 /nfs/dbraw/zinc/71/21/71/644712171.db2.gz JNOFFDJFVUCIHU-UHFFFAOYSA-N 1 0 280.284 2.057 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858547329 645197078 /nfs/dbraw/zinc/19/70/78/645197078.db2.gz JVYRMRQXUNGGKL-TURKWSHLSA-N 1 0 291.351 2.395 20 5 CEBDRO CCC(CC)[NH2+]CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000858607943 645220377 /nfs/dbraw/zinc/22/03/77/645220377.db2.gz GHBZCRGVQBHIFB-UHFFFAOYSA-N 1 0 291.355 2.433 20 5 CEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CC1 ZINC000763064806 645499262 /nfs/dbraw/zinc/49/92/62/645499262.db2.gz DPVFEWRFRWKVPG-CQSZACIVSA-N 1 0 294.351 2.243 20 5 CEBDRO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000763202564 645515112 /nfs/dbraw/zinc/51/51/12/645515112.db2.gz CYCSBXVMCRXQNB-GFCCVEGCSA-N 1 0 291.351 2.328 20 5 CEBDRO CN1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000765768451 645805306 /nfs/dbraw/zinc/80/53/06/645805306.db2.gz PGQXBBWWONXWSD-HUUCEWRRSA-N 1 0 289.379 2.210 20 5 CEBDRO Cc1nn(CN2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122401 645850944 /nfs/dbraw/zinc/85/09/44/645850944.db2.gz XCHCPRWSGJTDJI-SECBINFHSA-N 1 0 292.261 2.332 20 5 CEBDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000862465631 646470862 /nfs/dbraw/zinc/47/08/62/646470862.db2.gz RYGDGDUXCFCZAS-SNVBAGLBSA-N 1 0 282.321 2.008 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771801103 646552200 /nfs/dbraw/zinc/55/22/00/646552200.db2.gz QCQYCWMFCPYGQL-HNNXBMFYSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000863541063 646751318 /nfs/dbraw/zinc/75/13/18/646751318.db2.gz GRXZKAJQDJAKQG-HZMBPMFUSA-N 1 0 290.367 2.112 20 5 CEBDRO CCC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)OCC ZINC000863565553 646757767 /nfs/dbraw/zinc/75/77/67/646757767.db2.gz NDXFKQVOZWHSJS-LSDHHAIUSA-N 1 0 296.367 2.423 20 5 CEBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000774524023 646857594 /nfs/dbraw/zinc/85/75/94/646857594.db2.gz MNAZSAXPIRPRNW-LBPRGKRZSA-N 1 0 263.341 2.373 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000774536062 646858527 /nfs/dbraw/zinc/85/85/27/646858527.db2.gz GMSDQOIAYQBELR-OLZOCXBDSA-N 1 0 281.381 2.077 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775180557 646928190 /nfs/dbraw/zinc/92/81/90/646928190.db2.gz ZZDDXRHZQGCXLX-SCZZXKLOSA-N 1 0 260.297 2.359 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000775549909 646964936 /nfs/dbraw/zinc/96/49/36/646964936.db2.gz RQDYHBFCENPLEI-LLVKDONJSA-N 1 0 293.323 2.006 20 5 CEBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582787 647074437 /nfs/dbraw/zinc/07/44/37/647074437.db2.gz BYSOPZHPKWSKGH-UHIISALHSA-N 1 0 296.392 2.454 20 5 CEBDRO CC1(C)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589599 647075522 /nfs/dbraw/zinc/07/55/22/647075522.db2.gz TWUKZHXJYXMFQX-ZDUSSCGKSA-N 1 0 264.325 2.360 20 5 CEBDRO CSC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587917 647075678 /nfs/dbraw/zinc/07/56/78/647075678.db2.gz ZMPZJFKAKAVLEK-KGLIPLIRSA-N 1 0 296.392 2.456 20 5 CEBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000779859365 647366095 /nfs/dbraw/zinc/36/60/95/647366095.db2.gz HEJJLIOIWZQPJL-JTQLQIEISA-N 1 0 254.334 2.424 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCN(C)CC1 ZINC000866218203 647677295 /nfs/dbraw/zinc/67/72/95/647677295.db2.gz LWRUVOJZGOUZOX-LLVKDONJSA-N 1 0 295.358 2.349 20 5 CEBDRO C[C@@]([NH3+])(C(=O)NCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000867927961 647991854 /nfs/dbraw/zinc/99/18/54/647991854.db2.gz SLLPRZBARZYCPF-HNNXBMFYSA-N 1 0 291.351 2.075 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1 ZINC000868003335 648017398 /nfs/dbraw/zinc/01/73/98/648017398.db2.gz CCVKIMXGJIUHSZ-LLVKDONJSA-N 1 0 291.351 2.021 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000787972686 648155073 /nfs/dbraw/zinc/15/50/73/648155073.db2.gz PJOFRPOBMSWCEC-UHFFFAOYSA-N 1 0 278.308 2.238 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000789943188 648361288 /nfs/dbraw/zinc/36/12/88/648361288.db2.gz UDHTYAOVTZIRFE-UHFFFAOYSA-N 1 0 266.297 2.093 20 5 CEBDRO CCO[C@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052948 648476265 /nfs/dbraw/zinc/47/62/65/648476265.db2.gz PWNKMPRARSISIG-OLZOCXBDSA-N 1 0 270.373 2.323 20 5 CEBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554827 648542536 /nfs/dbraw/zinc/54/25/36/648542536.db2.gz DRWUKTNSDLCMCB-HUUCEWRRSA-N 1 0 294.351 2.129 20 5 CEBDRO COC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017264 649241846 /nfs/dbraw/zinc/24/18/46/649241846.db2.gz XXSMJFQZLXFSKO-BDAKNGLRSA-N 1 0 256.277 2.419 20 5 CEBDRO C[C@@H](NCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018193 649242014 /nfs/dbraw/zinc/24/20/14/649242014.db2.gz JHZLRXILFJVQAL-LLVKDONJSA-N 1 0 281.331 2.480 20 5 CEBDRO C[C@@H](N[C@H]1CC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035570 649249101 /nfs/dbraw/zinc/24/91/01/649249101.db2.gz XDQJXYUNQXNQAJ-ZJUUUORDSA-N 1 0 267.304 2.089 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000872126400 649285634 /nfs/dbraw/zinc/28/56/34/649285634.db2.gz MKPGVPZKUDZUFZ-CQDKDKBSSA-N 1 0 290.363 2.276 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C)CC1 ZINC000873008750 649530552 /nfs/dbraw/zinc/53/05/52/649530552.db2.gz CJVUWXOUVADLBA-UHFFFAOYSA-N 1 0 277.368 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N(C)C ZINC000873043738 649541332 /nfs/dbraw/zinc/54/13/32/649541332.db2.gz RZCGVNOYONAVBY-NSHDSACASA-N 1 0 265.357 2.251 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000873134681 649566369 /nfs/dbraw/zinc/56/63/69/649566369.db2.gz STTRAGJLRRVXLI-CMPLNLGQSA-N 1 0 264.325 2.479 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321734 651285550 /nfs/dbraw/zinc/28/55/50/651285550.db2.gz RDHWTSJTAWHMLF-QWHCGFSZSA-N 1 0 294.351 2.473 20 5 CEBDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322117 651285771 /nfs/dbraw/zinc/28/57/71/651285771.db2.gz QIWACLORZUXHNU-GLQYFDAESA-N 1 0 294.351 2.128 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880143051 651391493 /nfs/dbraw/zinc/39/14/93/651391493.db2.gz XPIVPANLGSKLGQ-UONOGXRCSA-N 1 0 293.342 2.402 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C2CCCC2)CC1 ZINC000881793322 651885803 /nfs/dbraw/zinc/88/58/03/651885803.db2.gz IUFQDTADLUKZPF-UHFFFAOYSA-N 1 0 294.330 2.194 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000881802135 651887657 /nfs/dbraw/zinc/88/76/57/651887657.db2.gz VVKNAYSXMFJJMD-VIFPVBQESA-N 1 0 280.303 2.025 20 5 CEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351502 652042881 /nfs/dbraw/zinc/04/28/81/652042881.db2.gz VNUURTUAMZIYPP-MNOVXSKESA-N 1 0 294.330 2.192 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC2CC2)cc1[N+](=O)[O-] ZINC000884171353 652740675 /nfs/dbraw/zinc/74/06/75/652740675.db2.gz STTQMYKBARJVST-GXFFZTMASA-N 1 0 291.351 2.208 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)c1C ZINC000884365127 652817174 /nfs/dbraw/zinc/81/71/74/652817174.db2.gz DRLAFQHAUKTEGB-VXGBXAGGSA-N 1 0 291.351 2.067 20 5 CEBDRO O=[N+]([O-])c1cccc(-c2noc(CC[C@H]3CC[NH2+]C3)n2)c1 ZINC000134612119 652862455 /nfs/dbraw/zinc/86/24/55/652862455.db2.gz DPXXAJXWZMBMSY-JTQLQIEISA-N 1 0 288.307 2.187 20 5 CEBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215983943 652963728 /nfs/dbraw/zinc/96/37/28/652963728.db2.gz ORYYRIUGRXQLLL-JSGCOSHPSA-N 1 0 294.351 2.175 20 5 CEBDRO Cc1cnc(OC[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000697001666 806069703 /nfs/dbraw/zinc/06/97/03/806069703.db2.gz VAXSQNWEMZVKLB-NSHDSACASA-N 1 0 265.313 2.067 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCC[NH2+]C1 ZINC000697085283 806169379 /nfs/dbraw/zinc/16/93/79/806169379.db2.gz IFASUEJUOCYPDS-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO Cc1ccc2c(ccnc2-n2cc(C[NH3+])cn2)c1[N+](=O)[O-] ZINC001168256929 806447246 /nfs/dbraw/zinc/44/72/46/806447246.db2.gz JJXOWMKSQCLNLQ-UHFFFAOYSA-N 1 0 283.291 2.096 20 5 CEBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001168262538 806459427 /nfs/dbraw/zinc/45/94/27/806459427.db2.gz UPTCUHVGFUHHJK-UHFFFAOYSA-N 1 0 286.213 2.258 20 5 CEBDRO CCOC(=O)[C@@H]1CCC[C@@H](OCCC[N+](C)(C)C)C1 ZINC001224621349 806870315 /nfs/dbraw/zinc/87/03/15/806870315.db2.gz RNIARFBAPYRERO-ZIAGYGMSSA-N 1 0 272.409 2.221 20 5 CEBDRO COc1cc(N[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC001167278280 802625519 /nfs/dbraw/zinc/62/55/19/802625519.db2.gz GAKUYZZNTVQRAE-JTQLQIEISA-N 1 0 265.313 2.028 20 5 CEBDRO CCN1CC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000712593776 814754297 /nfs/dbraw/zinc/75/42/97/814754297.db2.gz IRFMMHIFSOMSIT-CYBMUJFWSA-N 1 0 263.341 2.087 20 5 CEBDRO CN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000712532691 814762863 /nfs/dbraw/zinc/76/28/63/814762863.db2.gz YITALNRCAFQDTJ-VIFPVBQESA-N 1 0 255.705 2.364 20 5 CEBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001117760480 814946246 /nfs/dbraw/zinc/94/62/46/814946246.db2.gz AOGLLTAGJDFHOX-GFCCVEGCSA-N 1 0 296.367 2.455 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOC1CCC1 ZINC000690701723 807231654 /nfs/dbraw/zinc/23/16/54/807231654.db2.gz NBRPOPZPXAXPSD-UHFFFAOYSA-N 1 0 250.298 2.254 20 5 CEBDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570070 807247629 /nfs/dbraw/zinc/24/76/29/807247629.db2.gz NXHNDKQSIGELMM-PELKAZGASA-N 1 0 274.267 2.262 20 5 CEBDRO CC(=O)c1c(NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001120873096 807344144 /nfs/dbraw/zinc/34/41/44/807344144.db2.gz JZNGOYJTGDWAAJ-UHFFFAOYSA-N 1 0 265.313 2.161 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)cc1 ZINC000716665180 815139308 /nfs/dbraw/zinc/13/93/08/815139308.db2.gz VPLOVGRKOLVXCY-BFHYXJOUSA-N 1 0 262.309 2.016 20 5 CEBDRO COc1ncc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168600803 808697726 /nfs/dbraw/zinc/69/77/26/808697726.db2.gz DSNINOCTFLWATF-AAEUAGOBSA-N 1 0 294.355 2.283 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001120727209 815264523 /nfs/dbraw/zinc/26/45/23/815264523.db2.gz ROPMFKOJXNUJJD-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000700603452 809331098 /nfs/dbraw/zinc/33/10/98/809331098.db2.gz VVBSFCPBMGRWGH-ZJUUUORDSA-N 1 0 297.742 2.248 20 5 CEBDRO C[NH+](C)C1CC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000701469464 809433198 /nfs/dbraw/zinc/43/31/98/809433198.db2.gz ASVWKYQALSCQSI-UHFFFAOYSA-N 1 0 297.742 2.071 20 5 CEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000702064404 809491582 /nfs/dbraw/zinc/49/15/82/809491582.db2.gz PTIRGRUQKXLWMR-IUCAKERBSA-N 1 0 297.742 2.071 20 5 CEBDRO CC1(O)CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000702966516 809609257 /nfs/dbraw/zinc/60/92/57/809609257.db2.gz GZJKDEZJWLXZTJ-UHFFFAOYSA-N 1 0 278.352 2.421 20 5 CEBDRO Cc1c(NC[C@@H]2C[C@H](F)C[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC001162477282 809621652 /nfs/dbraw/zinc/62/16/52/809621652.db2.gz GDSNTNGHFHDBRK-UWVGGRQHSA-N 1 0 271.267 2.154 20 5 CEBDRO CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034571740 809630895 /nfs/dbraw/zinc/63/08/95/809630895.db2.gz FWQFSTWOBHFARJ-HAQNSBGRSA-N 1 0 297.380 2.193 20 5 CEBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000704249203 809725896 /nfs/dbraw/zinc/72/58/96/809725896.db2.gz KUVGIAJTVGYYHZ-LBPRGKRZSA-N 1 0 297.742 2.058 20 5 CEBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000704577171 809741387 /nfs/dbraw/zinc/74/13/87/809741387.db2.gz HKLOGYORLGXZEG-UHFFFAOYSA-N 1 0 253.277 2.052 20 5 CEBDRO Cc1c(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000711366833 810063772 /nfs/dbraw/zinc/06/37/72/810063772.db2.gz JCGGGQFRTUFZCF-JTQLQIEISA-N 1 0 277.324 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711703221 810093317 /nfs/dbraw/zinc/09/33/17/810093317.db2.gz PRZDXUXSIWSNMX-FZMZJTMJSA-N 1 0 262.309 2.184 20 5 CEBDRO C[C@H](CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC001119386660 810463204 /nfs/dbraw/zinc/46/32/04/810463204.db2.gz OTFVKBSRCQOOBM-SECBINFHSA-N 1 0 298.318 2.196 20 5 CEBDRO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001122194670 815391594 /nfs/dbraw/zinc/39/15/94/815391594.db2.gz UPIZOURGZSXJFQ-OLZOCXBDSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001122600819 815429728 /nfs/dbraw/zinc/42/97/28/815429728.db2.gz YSFDWKXHGPIRLK-ZANVPECISA-N 1 0 277.324 2.230 20 5 CEBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817603 811246586 /nfs/dbraw/zinc/24/65/86/811246586.db2.gz XXHDXQZZOXBZOW-LLVKDONJSA-N 1 0 290.298 2.044 20 5 CEBDRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168977741 811306518 /nfs/dbraw/zinc/30/65/18/811306518.db2.gz LNXRVDRWPKYPJT-LSDHHAIUSA-N 1 0 277.368 2.358 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)C1 ZINC001168984978 811311074 /nfs/dbraw/zinc/31/10/74/811311074.db2.gz RHOSJQNCACQIOH-JVLSTEMRSA-N 1 0 276.336 2.415 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccncc1 ZINC001168985413 811311585 /nfs/dbraw/zinc/31/15/85/811311585.db2.gz FCMQNJBCFQDYKZ-AAEUAGOBSA-N 1 0 263.341 2.352 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001168956972 811312621 /nfs/dbraw/zinc/31/26/21/811312621.db2.gz DFACBCHKKCXYAE-JGVFFNPUSA-N 1 0 275.761 2.332 20 5 CEBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168963225 811315899 /nfs/dbraw/zinc/31/58/99/811315899.db2.gz OTXZLRZZMVPCOP-AAEUAGOBSA-N 1 0 263.341 2.352 20 5 CEBDRO COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168962349 811315920 /nfs/dbraw/zinc/31/59/20/811315920.db2.gz LRFMIJVSXBHWGY-GXTWGEPZSA-N 1 0 292.335 2.008 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2ccncc2)C1 ZINC001168965952 811317403 /nfs/dbraw/zinc/31/74/03/811317403.db2.gz FDIXQXHNXCKWNB-ZIAGYGMSSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2ccncc2)C1 ZINC001168965949 811317901 /nfs/dbraw/zinc/31/79/01/811317901.db2.gz FDIXQXHNXCKWNB-KBPBESRZSA-N 1 0 263.341 2.049 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC001168963689 811317990 /nfs/dbraw/zinc/31/79/90/811317990.db2.gz PSLURXCLIAQEHB-SNPRPXQTSA-N 1 0 278.352 2.145 20 5 CEBDRO CN(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967543 811318501 /nfs/dbraw/zinc/31/85/01/811318501.db2.gz QJWIJNBUMFXYOM-HUUCEWRRSA-N 1 0 291.395 2.330 20 5 CEBDRO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967913 811319682 /nfs/dbraw/zinc/31/96/82/811319682.db2.gz UMWNUYQUNFKJKM-OCCSQVGLSA-N 1 0 292.335 2.008 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001168970747 811320042 /nfs/dbraw/zinc/32/00/42/811320042.db2.gz IVTPLESWXAMGJG-RYUDHWBXSA-N 1 0 261.325 2.106 20 5 CEBDRO COCc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991968 811325575 /nfs/dbraw/zinc/32/55/75/811325575.db2.gz IOGSKWDIJKPMCA-UKRRQHHQSA-N 1 0 278.352 2.368 20 5 CEBDRO CCC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168997750 811327126 /nfs/dbraw/zinc/32/71/26/811327126.db2.gz FKEPMJYVJZIQHQ-STQMWFEESA-N 1 0 270.373 2.228 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001169005969 811329918 /nfs/dbraw/zinc/32/99/18/811329918.db2.gz DQWGWRGSKNNZEK-NXEZZACHSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001169005971 811331197 /nfs/dbraw/zinc/33/11/97/811331197.db2.gz DQWGWRGSKNNZEK-VHSXEESVSA-N 1 0 260.284 2.163 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC001169009918 811334670 /nfs/dbraw/zinc/33/46/70/811334670.db2.gz YTGNQFPZINFHCB-SUNKGSAMSA-N 1 0 276.336 2.415 20 5 CEBDRO COc1cc(F)cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168988117 811337868 /nfs/dbraw/zinc/33/78/68/811337868.db2.gz OAIFBSDNSHVOFW-ZWNOBZJWSA-N 1 0 282.315 2.369 20 5 CEBDRO CC(C)(F)c1ncncc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168989839 811339727 /nfs/dbraw/zinc/33/97/27/811339727.db2.gz WYQOMHDFMNUTLK-PWSUYJOCSA-N 1 0 296.346 2.216 20 5 CEBDRO C[N@H+](CCOc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027116 811339937 /nfs/dbraw/zinc/33/99/37/811339937.db2.gz PDMLVXXDKHWJIX-ZIAGYGMSSA-N 1 0 278.352 2.443 20 5 CEBDRO CC(C)Oc1ccnc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168990857 811340221 /nfs/dbraw/zinc/34/02/21/811340221.db2.gz FCFLDYUMEFXKLC-STQMWFEESA-N 1 0 293.367 2.404 20 5 CEBDRO CC(C)(F)c1ncncc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168989838 811340391 /nfs/dbraw/zinc/34/03/91/811340391.db2.gz WYQOMHDFMNUTLK-JQWIXIFHSA-N 1 0 296.346 2.216 20 5 CEBDRO C[N@H+](CCc1cccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033610 811346338 /nfs/dbraw/zinc/34/63/38/811346338.db2.gz CKOATMMBFHNUGQ-KBPBESRZSA-N 1 0 263.341 2.001 20 5 CEBDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034170 811346355 /nfs/dbraw/zinc/34/63/55/811346355.db2.gz FTQIBGMCNBALEU-AVGNSLFASA-N 1 0 298.383 2.238 20 5 CEBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)o1 ZINC001169038865 811349768 /nfs/dbraw/zinc/34/97/68/811349768.db2.gz LBPTXJPPPRSDQQ-XQQFMLRXSA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2CN2CCCC2)C1 ZINC001169023805 811355637 /nfs/dbraw/zinc/35/56/37/811355637.db2.gz FJIVZHMCZAYNSQ-BZUAXINKSA-N 1 0 295.427 2.382 20 5 CEBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053900 811358815 /nfs/dbraw/zinc/35/88/15/811358815.db2.gz KBAKJNVHWCGRSE-MGPQQGTHSA-N 1 0 298.383 2.097 20 5 CEBDRO CCOC(=O)c1cc(-n2ccc(C[NH3+])c2)ccc1[N+](=O)[O-] ZINC001169726464 811628231 /nfs/dbraw/zinc/62/82/31/811628231.db2.gz ZIJNIWSGQZQLGG-UHFFFAOYSA-N 1 0 289.291 2.021 20 5 CEBDRO [NH3+]Cc1ccn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])c1 ZINC001169716805 811639931 /nfs/dbraw/zinc/63/99/31/811639931.db2.gz QCTOEJIOAYLZBZ-UHFFFAOYSA-N 1 0 293.714 2.165 20 5 CEBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000063167166 812382967 /nfs/dbraw/zinc/38/29/67/812382967.db2.gz YTBVIKQRAAMMPW-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC001170329789 812389457 /nfs/dbraw/zinc/38/94/57/812389457.db2.gz UMBLBAIJAUCPAE-SNVBAGLBSA-N 1 0 250.298 2.240 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)nc1Cl ZINC001157739320 812419605 /nfs/dbraw/zinc/41/96/05/812419605.db2.gz CBMODPUTQJBCSY-RKDXNWHRSA-N 1 0 284.747 2.268 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC(CO)C1)CC2 ZINC001172900580 815539607 /nfs/dbraw/zinc/53/96/07/815539607.db2.gz WCKJFFDYPHAXMZ-XGTXGMFGSA-N 1 0 290.363 2.203 20 5 CEBDRO CCC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904259 815540895 /nfs/dbraw/zinc/54/08/95/815540895.db2.gz VUYRRNKKNHHZRU-CYBMUJFWSA-N 1 0 276.336 2.411 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1COC[C@@H]1F)CC2 ZINC001172908055 815540943 /nfs/dbraw/zinc/54/09/43/815540943.db2.gz WOMQCBRTCVAARS-SNPRPXQTSA-N 1 0 294.326 2.169 20 5 CEBDRO CN(c1ccc2cccc([N+](=O)[O-])c2n1)C(C)(C)C[NH3+] ZINC001159054802 813206517 /nfs/dbraw/zinc/20/65/17/813206517.db2.gz QHKQQUWZWCGPBB-UHFFFAOYSA-N 1 0 274.324 2.317 20 5 CEBDRO C[C@]1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000689625058 813990385 /nfs/dbraw/zinc/99/03/85/813990385.db2.gz JFFQDOREJYWNRL-NWDGAFQWSA-N 1 0 286.278 2.263 20 5 CEBDRO [NH3+]C/C=C/CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160976863 814302776 /nfs/dbraw/zinc/30/27/76/814302776.db2.gz LSIXJZHNINKBJE-OWOJBTEDSA-N 1 0 258.281 2.070 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000698592791 814657882 /nfs/dbraw/zinc/65/78/82/814657882.db2.gz QFIOWIMDYXQMOB-NSHDSACASA-N 1 0 294.685 2.354 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]CCC23CCC3)c1 ZINC000713260739 814847362 /nfs/dbraw/zinc/84/73/62/814847362.db2.gz DPTYYSRHCRFSCO-UHFFFAOYSA-N 1 0 275.352 2.313 20 5 CEBDRO Cc1ccc(CN2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000714018168 814881652 /nfs/dbraw/zinc/88/16/52/814881652.db2.gz BTWXFHRVLSIEKN-UHFFFAOYSA-N 1 0 277.368 2.477 20 5 CEBDRO COC(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220523 815625986 /nfs/dbraw/zinc/62/59/86/815625986.db2.gz FQZWRLWLZPEGRF-QWRGUYRKSA-N 1 0 280.324 2.067 20 5 CEBDRO COCC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224372 815627683 /nfs/dbraw/zinc/62/76/83/815627683.db2.gz FFZBWBJCZPILNL-NSHDSACASA-N 1 0 252.314 2.104 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001173235467 815634114 /nfs/dbraw/zinc/63/41/14/815634114.db2.gz XNMLZHOPJRGCSS-DUVNUKRYSA-N 1 0 289.379 2.162 20 5 CEBDRO COc1ccc(Nc2c(C)[nH+]cn2C)cc1[N+](=O)[O-] ZINC001176364439 816402706 /nfs/dbraw/zinc/40/27/06/816402706.db2.gz VGYKZEQMTIIERG-UHFFFAOYSA-N 1 0 262.269 2.389 20 5 CEBDRO Cc1ccc(OCCO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001206631112 816849574 /nfs/dbraw/zinc/84/95/74/816849574.db2.gz NCXXOUWXGJZQLM-AWEZNQCLSA-N 1 0 252.378 2.485 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000449066032 282086570 /nfs/dbraw/zinc/08/65/70/282086570.db2.gz YMIHRSXTEWNWMF-LBPRGKRZSA-N 1 0 279.384 2.456 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)CCC2 ZINC000601291089 346813504 /nfs/dbraw/zinc/81/35/04/346813504.db2.gz GELCJWPWTFOHDP-NVBFEUDRSA-N 1 0 276.336 2.333 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601289943 346813948 /nfs/dbraw/zinc/81/39/48/346813948.db2.gz WYXITYXQGBKMJS-JBLDHEPKSA-N 1 0 250.298 2.016 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000601305661 346816090 /nfs/dbraw/zinc/81/60/90/346816090.db2.gz XEIMUJDFZPKXQH-BPNCWPANSA-N 1 0 264.325 2.467 20 5 CEBDRO CC(C)N(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449110815 282104159 /nfs/dbraw/zinc/10/41/59/282104159.db2.gz GWJUYPQKXVXHDN-ZDUSSCGKSA-N 1 0 279.384 2.456 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC2OCCO2)C2CC2)c1 ZINC000124728717 187150858 /nfs/dbraw/zinc/15/08/58/187150858.db2.gz PNCQMBHHKHHXQT-UHFFFAOYSA-N 1 0 292.335 2.322 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000121818116 365619279 /nfs/dbraw/zinc/61/92/79/365619279.db2.gz SAPKVQSNROVVDA-LLVKDONJSA-N 1 0 291.351 2.080 20 5 CEBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000350724005 219052830 /nfs/dbraw/zinc/05/28/30/219052830.db2.gz HEVNLLSYFRTZSS-UHFFFAOYSA-N 1 0 278.312 2.295 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000037644224 361915572 /nfs/dbraw/zinc/91/55/72/361915572.db2.gz REJBVHUAWPXNJS-ZDUSSCGKSA-N 1 0 263.341 2.026 20 5 CEBDRO COC1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080250531 344005014 /nfs/dbraw/zinc/00/50/14/344005014.db2.gz FRVOBWJLSUYLPK-UHFFFAOYSA-N 1 0 297.330 2.257 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000449239437 282154151 /nfs/dbraw/zinc/15/41/51/282154151.db2.gz JMYRUYVNIVTCPU-FKANQGBASA-N 1 0 298.408 2.225 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000449260806 282161631 /nfs/dbraw/zinc/16/16/31/282161631.db2.gz XYPKLUDHUATQNB-HONMWMINSA-N 1 0 278.352 2.275 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000449271720 282165871 /nfs/dbraw/zinc/16/58/71/282165871.db2.gz ISZLPGATOQRCPD-JTQLQIEISA-N 1 0 288.294 2.397 20 5 CEBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000080600663 344015672 /nfs/dbraw/zinc/01/56/72/344015672.db2.gz CBNOIPPPQUUFEL-UHFFFAOYSA-N 1 0 278.356 2.265 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000080611263 344016650 /nfs/dbraw/zinc/01/66/50/344016650.db2.gz QAKKOUYMWALPGX-AWEZNQCLSA-N 1 0 293.367 2.272 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+](C)C1CC1 ZINC000192562016 529602041 /nfs/dbraw/zinc/60/20/41/529602041.db2.gz KFGLZIYCPIAYFP-VIFPVBQESA-N 1 0 281.360 2.014 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CF)CCOCC2)cc1 ZINC000449447152 282240884 /nfs/dbraw/zinc/24/08/84/282240884.db2.gz XMFDOVVAKSMABJ-UHFFFAOYSA-N 1 0 268.288 2.203 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449500389 282259914 /nfs/dbraw/zinc/25/99/14/282259914.db2.gz DHOROJHVONHKSZ-HZPDHXFCSA-N 1 0 290.363 2.482 20 5 CEBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676111 343437997 /nfs/dbraw/zinc/43/79/97/343437997.db2.gz OCDFQLYHCGJMEM-RYUDHWBXSA-N 1 0 293.367 2.030 20 5 CEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000047873388 362228683 /nfs/dbraw/zinc/22/86/83/362228683.db2.gz INCJPFJJCACLOX-NSHDSACASA-N 1 0 264.329 2.276 20 5 CEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000295006704 199296437 /nfs/dbraw/zinc/29/64/37/199296437.db2.gz AMHOZXPIBDXIQM-NSHDSACASA-N 1 0 264.329 2.073 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)[NH+](C)C ZINC000449557191 282282337 /nfs/dbraw/zinc/28/23/37/282282337.db2.gz QFUAYRJVNPKXGO-NSHDSACASA-N 1 0 281.356 2.033 20 5 CEBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)O ZINC000295060229 199324274 /nfs/dbraw/zinc/32/42/74/199324274.db2.gz BUNUEDLLKNECMK-VIFPVBQESA-N 1 0 270.304 2.325 20 5 CEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000058276744 343642858 /nfs/dbraw/zinc/64/28/58/343642858.db2.gz ZTYXVZSFUDVZNZ-JTQLQIEISA-N 1 0 297.380 2.118 20 5 CEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056987268 343623066 /nfs/dbraw/zinc/62/30/66/343623066.db2.gz MKYNWPMDSNAMHO-GHMZBOCLSA-N 1 0 295.339 2.038 20 5 CEBDRO CC(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000073652683 343832102 /nfs/dbraw/zinc/83/21/02/343832102.db2.gz LFZPRVNIQVURII-UHFFFAOYSA-N 1 0 278.356 2.158 20 5 CEBDRO O=[N+]([O-])c1cccnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000078424890 343952335 /nfs/dbraw/zinc/95/23/35/343952335.db2.gz VEQMVRLVCKSYSD-CYBMUJFWSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449643849 282317051 /nfs/dbraw/zinc/31/70/51/282317051.db2.gz ZKGJYVOJOQYSHB-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cnc(N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078658845 343960474 /nfs/dbraw/zinc/96/04/74/343960474.db2.gz RVWVQRYBFKJMIM-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[NH+]1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000078745041 343962882 /nfs/dbraw/zinc/96/28/82/343962882.db2.gz IVPVPJFFQBDMKZ-UHFFFAOYSA-N 1 0 292.383 2.034 20 5 CEBDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090663568 344142491 /nfs/dbraw/zinc/14/24/91/344142491.db2.gz ZJGRTZXKJISIKY-LBPRGKRZSA-N 1 0 294.351 2.035 20 5 CEBDRO CCc1nn(C)c(NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000094133723 344233803 /nfs/dbraw/zinc/23/38/03/344233803.db2.gz SAOLHDGLKCBNNJ-NSHDSACASA-N 1 0 297.403 2.279 20 5 CEBDRO Cc1cc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000092620551 344196570 /nfs/dbraw/zinc/19/65/70/344196570.db2.gz QIYRQOSKLICXJM-UHFFFAOYSA-N 1 0 293.367 2.162 20 5 CEBDRO COc1cc(F)c([N+](=O)[O-])c(SCC[NH+](C)C)c1 ZINC000092675663 344199889 /nfs/dbraw/zinc/19/98/89/344199889.db2.gz UOSAVWFZISATKH-UHFFFAOYSA-N 1 0 274.317 2.396 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049801449 362376088 /nfs/dbraw/zinc/37/60/88/362376088.db2.gz CPEKMGBWQSBIKJ-ZDUSSCGKSA-N 1 0 294.351 2.340 20 5 CEBDRO CC[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000122471065 344306582 /nfs/dbraw/zinc/30/65/82/344306582.db2.gz MMKGRAZWKCHCMK-VXGBXAGGSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880120 344308025 /nfs/dbraw/zinc/30/80/25/344308025.db2.gz NLRHZXCQZIMZHY-OCCSQVGLSA-N 1 0 277.368 2.462 20 5 CEBDRO CC[N@@H+]1CCC[C@H](CNc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000123480411 344310144 /nfs/dbraw/zinc/31/01/44/344310144.db2.gz IPKQJXRQIXMMMZ-GFCCVEGCSA-N 1 0 278.356 2.442 20 5 CEBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000049963824 362388750 /nfs/dbraw/zinc/38/87/50/362388750.db2.gz CKGNUDZLUZOGPZ-VIFPVBQESA-N 1 0 271.748 2.288 20 5 CEBDRO CCO[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156086609 344440950 /nfs/dbraw/zinc/44/09/50/344440950.db2.gz QOPSEBQYSSGNEA-HNNXBMFYSA-N 1 0 294.351 2.475 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CC1)C1CC1 ZINC000157300806 344446136 /nfs/dbraw/zinc/44/61/36/344446136.db2.gz MFXLIXCNRNCHDU-AWEZNQCLSA-N 1 0 290.363 2.278 20 5 CEBDRO C[NH+]1CCC(C)(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000227307687 344552536 /nfs/dbraw/zinc/55/25/36/344552536.db2.gz UDEQABVZHIYNEM-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000050162412 362406947 /nfs/dbraw/zinc/40/69/47/362406947.db2.gz OQVQKJUNQIDQOS-RYUDHWBXSA-N 1 0 291.351 2.021 20 5 CEBDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602498005 347057763 /nfs/dbraw/zinc/05/77/63/347057763.db2.gz CGQGZAKJHOBJON-LLVKDONJSA-N 1 0 291.351 2.084 20 5 CEBDRO CC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602499712 347058640 /nfs/dbraw/zinc/05/86/40/347058640.db2.gz KPRRSBOFNXURJE-NSHDSACASA-N 1 0 291.351 2.084 20 5 CEBDRO C[NH2+][C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000053201360 362486325 /nfs/dbraw/zinc/48/63/25/362486325.db2.gz XSMVZWAEMCRTMM-YPMHNXCESA-N 1 0 263.341 2.340 20 5 CEBDRO CO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000267622357 344663637 /nfs/dbraw/zinc/66/36/37/344663637.db2.gz DTIIRXKFXUSCRB-AWEZNQCLSA-N 1 0 280.324 2.084 20 5 CEBDRO Cc1c([C@@H](C)[NH2+]Cc2cncn2C)cccc1[N+](=O)[O-] ZINC000289614795 344682205 /nfs/dbraw/zinc/68/22/05/344682205.db2.gz DGZVDBOVGRKQRT-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCOCC3)nc2c1 ZINC000602517886 347064178 /nfs/dbraw/zinc/06/41/78/347064178.db2.gz KIFICWOPZNMGCD-UHFFFAOYSA-N 1 0 277.280 2.005 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293104614 344691048 /nfs/dbraw/zinc/69/10/48/344691048.db2.gz LIEJKEQDADJMDK-GFCCVEGCSA-N 1 0 264.325 2.189 20 5 CEBDRO C[C@H](O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159709 344709697 /nfs/dbraw/zinc/70/96/97/344709697.db2.gz DUVDABPIFSPMDJ-STQMWFEESA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1noc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602545792 347072037 /nfs/dbraw/zinc/07/20/37/347072037.db2.gz VYNUWDNZZRDDFR-UHFFFAOYSA-N 1 0 290.323 2.051 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401176441 344867254 /nfs/dbraw/zinc/86/72/54/344867254.db2.gz XPVLCAJDTZCJQM-VIFPVBQESA-N 1 0 270.308 2.271 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CCCO)C2)cs1 ZINC000449793272 282370188 /nfs/dbraw/zinc/37/01/88/282370188.db2.gz WCVZIUSVRYKEEG-JTQLQIEISA-N 1 0 270.354 2.251 20 5 CEBDRO C[NH+](C)CCN(c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000585701962 345010853 /nfs/dbraw/zinc/01/08/53/345010853.db2.gz FKEWSXNHBNUVFX-UHFFFAOYSA-N 1 0 278.356 2.300 20 5 CEBDRO C[NH+](C)CCn1cc(Nc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000587593977 345031150 /nfs/dbraw/zinc/03/11/50/345031150.db2.gz XKQSLDVBMACUQJ-UHFFFAOYSA-N 1 0 293.302 2.236 20 5 CEBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000127355622 187299634 /nfs/dbraw/zinc/29/96/34/187299634.db2.gz JBNBWSUYAMNSJS-GFCCVEGCSA-N 1 0 252.314 2.154 20 5 CEBDRO COC(C)(C)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000590245304 345123049 /nfs/dbraw/zinc/12/30/49/345123049.db2.gz SXQBKMNUWNULMC-LLVKDONJSA-N 1 0 282.340 2.377 20 5 CEBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282642 345237133 /nfs/dbraw/zinc/23/71/33/345237133.db2.gz JRBAVSRYXVSLER-ZDUSSCGKSA-N 1 0 275.352 2.359 20 5 CEBDRO Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000591296398 345237947 /nfs/dbraw/zinc/23/79/47/345237947.db2.gz GWKXZOJONJXDQM-LLVKDONJSA-N 1 0 292.339 2.167 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000591440891 345255383 /nfs/dbraw/zinc/25/53/83/345255383.db2.gz XRFYRNDVHLPWLP-HNNXBMFYSA-N 1 0 275.352 2.483 20 5 CEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)[NH3+] ZINC000591581568 345266899 /nfs/dbraw/zinc/26/68/99/345266899.db2.gz ZKUHXKQDPOVBRT-QWRGUYRKSA-N 1 0 283.397 2.402 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000591660358 345272554 /nfs/dbraw/zinc/27/25/54/345272554.db2.gz IUGTYAASWXDPCR-WDEREUQCSA-N 1 0 250.298 2.343 20 5 CEBDRO O=C(CC[NH2+][C@@H]1CC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591767160 345279013 /nfs/dbraw/zinc/27/90/13/345279013.db2.gz OZELFNHTZREBOD-GHMZBOCLSA-N 1 0 295.314 2.404 20 5 CEBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000592374442 345347510 /nfs/dbraw/zinc/34/75/10/345347510.db2.gz GYVWVTIMGJUYEM-DGCLKSJQSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c(Cl)c1 ZINC000592432387 345352504 /nfs/dbraw/zinc/35/25/04/345352504.db2.gz GMOIGBODMGECOV-YGRLFVJLSA-N 1 0 295.770 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000127390459 187302738 /nfs/dbraw/zinc/30/27/38/187302738.db2.gz IUHUVWLIZPRJSN-HNNXBMFYSA-N 1 0 293.367 2.397 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000593187906 345450930 /nfs/dbraw/zinc/45/09/30/345450930.db2.gz VVZYKIXEYKIBNQ-OPRDCNLKSA-N 1 0 297.380 2.209 20 5 CEBDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000592783675 345396596 /nfs/dbraw/zinc/39/65/96/345396596.db2.gz OYFYNJKSGKNAPB-NQBHXWOUSA-N 1 0 291.351 2.112 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000594015241 345567270 /nfs/dbraw/zinc/56/72/70/345567270.db2.gz YWTHHQYAJVDSPU-AWEZNQCLSA-N 1 0 294.351 2.211 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594427425 345626645 /nfs/dbraw/zinc/62/66/45/345626645.db2.gz UJVFGWYVTZAWAH-DOMZBBRYSA-N 1 0 289.335 2.231 20 5 CEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000058883573 362642288 /nfs/dbraw/zinc/64/22/88/362642288.db2.gz PJPIENWSBOAYOA-UHFFFAOYSA-N 1 0 293.367 2.255 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\CO ZINC000595073127 345739671 /nfs/dbraw/zinc/73/96/71/345739671.db2.gz SDSWOMSTDLLEQY-QMAVJUDZSA-N 1 0 264.325 2.054 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C1 ZINC000595104745 345742979 /nfs/dbraw/zinc/74/29/79/345742979.db2.gz TWJVGJLWFWUMOL-RAIGVLPGSA-N 1 0 264.325 2.029 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595233512 345746516 /nfs/dbraw/zinc/74/65/16/345746516.db2.gz OSTKGCWYSFFHES-UHFFFAOYSA-N 1 0 292.339 2.296 20 5 CEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925119 345704267 /nfs/dbraw/zinc/70/42/67/345704267.db2.gz KSMAVCJOBREPCV-DGCLKSJQSA-N 1 0 250.298 2.252 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000594982821 345721469 /nfs/dbraw/zinc/72/14/69/345721469.db2.gz IHGZARPTMLWCOJ-CYBMUJFWSA-N 1 0 264.325 2.093 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594987453 345722143 /nfs/dbraw/zinc/72/21/43/345722143.db2.gz KMQLWZHEADCTRM-KGLIPLIRSA-N 1 0 276.336 2.296 20 5 CEBDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006609 345725643 /nfs/dbraw/zinc/72/56/43/345725643.db2.gz MBUYIVSXOAMMBT-NXEZZACHSA-N 1 0 268.313 2.289 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000595011054 345726028 /nfs/dbraw/zinc/72/60/28/345726028.db2.gz GSDPQNFVWOJPBH-GXFFZTMASA-N 1 0 282.340 2.271 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000595012044 345726623 /nfs/dbraw/zinc/72/66/23/345726623.db2.gz MWHIUUNZAAZWEE-AWEZNQCLSA-N 1 0 286.335 2.459 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000595015170 345727473 /nfs/dbraw/zinc/72/74/73/345727473.db2.gz XOAWXEGILISJOS-SNVBAGLBSA-N 1 0 280.324 2.027 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023556 345729565 /nfs/dbraw/zinc/72/95/65/345729565.db2.gz CWBPCPLCSKURBT-MNOVXSKESA-N 1 0 282.340 2.415 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595435244 345782151 /nfs/dbraw/zinc/78/21/51/345782151.db2.gz DBWYZZIWTIOGGQ-MWLCHTKSSA-N 1 0 268.288 2.249 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595494889 345796084 /nfs/dbraw/zinc/79/60/84/345796084.db2.gz CVLVFYDDXQEPFE-SNVBAGLBSA-N 1 0 270.304 2.327 20 5 CEBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513532 345801359 /nfs/dbraw/zinc/80/13/59/345801359.db2.gz VMWNDYZVWJNQAI-ZWNOBZJWSA-N 1 0 283.328 2.184 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595759404 345869332 /nfs/dbraw/zinc/86/93/32/345869332.db2.gz PQLSVIRLFNZJEB-WFASDCNBSA-N 1 0 292.335 2.072 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC2CC1(C[NH3+])C2 ZINC000595908129 345911423 /nfs/dbraw/zinc/91/14/23/345911423.db2.gz FFTRZROHZDAXQQ-IFQILLTASA-N 1 0 261.325 2.079 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CC1(C)C2 ZINC000595915812 345912524 /nfs/dbraw/zinc/91/25/24/345912524.db2.gz OIPMZYFNTICFHC-RWWNRMGGSA-N 1 0 289.335 2.406 20 5 CEBDRO Cc1c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000128276546 187361022 /nfs/dbraw/zinc/36/10/22/187361022.db2.gz FQLGCROSTLLFBV-KGLIPLIRSA-N 1 0 275.352 2.230 20 5 CEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596086218 345936404 /nfs/dbraw/zinc/93/64/04/345936404.db2.gz WIBJGHRNRCUACC-MNOVXSKESA-N 1 0 294.355 2.228 20 5 CEBDRO CC1(C)CCC[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596212405 345971078 /nfs/dbraw/zinc/97/10/78/345971078.db2.gz FIVNSAVQJZZRCX-UHFFFAOYSA-N 1 0 294.355 2.229 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596309899 345996700 /nfs/dbraw/zinc/99/67/00/345996700.db2.gz ZSSHAKZNQJAHBP-NSHDSACASA-N 1 0 295.387 2.404 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000596335180 346002411 /nfs/dbraw/zinc/00/24/11/346002411.db2.gz GMYXMJDIMITGPC-JTQLQIEISA-N 1 0 264.329 2.275 20 5 CEBDRO Cc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212603 346150010 /nfs/dbraw/zinc/15/00/10/346150010.db2.gz VVFDPXJZXGPCIO-ZFWWWQNUSA-N 1 0 276.336 2.372 20 5 CEBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000602585659 347089106 /nfs/dbraw/zinc/08/91/06/347089106.db2.gz HWQJZTWODGHOTR-DGCLKSJQSA-N 1 0 291.351 2.132 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC000312736677 201912612 /nfs/dbraw/zinc/91/26/12/201912612.db2.gz UENAOKFEBSTODX-SNVBAGLBSA-N 1 0 283.376 2.260 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000597665377 346212479 /nfs/dbraw/zinc/21/24/79/346212479.db2.gz HLFSXLFXNFARNL-LLVKDONJSA-N 1 0 277.324 2.102 20 5 CEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597854369 346238290 /nfs/dbraw/zinc/23/82/90/346238290.db2.gz GTRCKJLOSBSIIV-JTQLQIEISA-N 1 0 295.339 2.038 20 5 CEBDRO C[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597992064 346264963 /nfs/dbraw/zinc/26/49/63/346264963.db2.gz IZTURJJLISWSNI-NWDGAFQWSA-N 1 0 293.367 2.155 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000314240262 201926171 /nfs/dbraw/zinc/92/61/71/201926171.db2.gz XFJDNJOVSVXXNL-UHFFFAOYSA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598684389 346400346 /nfs/dbraw/zinc/40/03/46/346400346.db2.gz WMCQKMNGQONLKA-TYNCELHUSA-N 1 0 275.352 2.469 20 5 CEBDRO C[NH2+]C1(CNc2nc(C)cc(C)c2[N+](=O)[O-])CCC1 ZINC000598636603 346389450 /nfs/dbraw/zinc/38/94/50/346389450.db2.gz ZKFIBXRQGIIPJH-UHFFFAOYSA-N 1 0 264.329 2.161 20 5 CEBDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000062856227 362726917 /nfs/dbraw/zinc/72/69/17/362726917.db2.gz PTAQGNFKTNIAFK-ABAIWWIYSA-N 1 0 291.351 2.162 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000599010635 346446400 /nfs/dbraw/zinc/44/64/00/346446400.db2.gz SUKNQZWYEAIGHQ-BXUZGUMPSA-N 1 0 280.299 2.391 20 5 CEBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915764 346433733 /nfs/dbraw/zinc/43/37/33/346433733.db2.gz OMEFMFGRDXGUON-SSDOTTSWSA-N 1 0 286.719 2.107 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCF)CC2)c1 ZINC000599094686 346459252 /nfs/dbraw/zinc/45/92/52/346459252.db2.gz XTUPUTDIYZCYMJ-UHFFFAOYSA-N 1 0 281.331 2.385 20 5 CEBDRO Cc1cc(N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000599091641 346459289 /nfs/dbraw/zinc/45/92/89/346459289.db2.gz DCMPEGNULHLZOD-UHFFFAOYSA-N 1 0 281.331 2.385 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[NH2+]C34CCC4)c21 ZINC000600951683 346714971 /nfs/dbraw/zinc/71/49/71/346714971.db2.gz SWCVGYSVOZGRKG-GFCCVEGCSA-N 1 0 299.334 2.235 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185688 346780486 /nfs/dbraw/zinc/78/04/86/346780486.db2.gz YWDOGRZLADBIDY-MNOVXSKESA-N 1 0 279.315 2.122 20 5 CEBDRO CCC[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000601140353 346766905 /nfs/dbraw/zinc/76/69/05/346766905.db2.gz UMQNVXONLRIINY-LLVKDONJSA-N 1 0 270.304 2.375 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F ZINC000601153462 346771301 /nfs/dbraw/zinc/77/13/01/346771301.db2.gz OIVLIIFWXIYLFW-GZMMTYOYSA-N 1 0 292.257 2.305 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601032171 346736039 /nfs/dbraw/zinc/73/60/39/346736039.db2.gz ALANPCPUUJLMRF-SNVBAGLBSA-N 1 0 297.330 2.194 20 5 CEBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602629766 347112486 /nfs/dbraw/zinc/11/24/86/347112486.db2.gz RIIHHGJFAPNBPF-LLVKDONJSA-N 1 0 266.345 2.196 20 5 CEBDRO Cn1cc(C[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602655238 347125322 /nfs/dbraw/zinc/12/53/22/347125322.db2.gz NRPMHJVCYKIGBN-UHFFFAOYSA-N 1 0 264.329 2.094 20 5 CEBDRO CCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602769829 347190472 /nfs/dbraw/zinc/19/04/72/347190472.db2.gz WVIHGULKIWMEKC-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO Cn1cc(C[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602771928 347192717 /nfs/dbraw/zinc/19/27/17/347192717.db2.gz CBWAERMYQRHUIM-UHFFFAOYSA-N 1 0 274.324 2.353 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000602787584 347197838 /nfs/dbraw/zinc/19/78/38/347197838.db2.gz ZOUXSJVIQGRVGQ-CHWSQXEVSA-N 1 0 278.356 2.364 20 5 CEBDRO Cn1cc(C[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602810747 347209091 /nfs/dbraw/zinc/20/90/91/347209091.db2.gz IMHVDXQWZRMJEX-LLVKDONJSA-N 1 0 266.345 2.387 20 5 CEBDRO Cc1csc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602813039 347209674 /nfs/dbraw/zinc/20/96/74/347209674.db2.gz WGZVIAGZEORGAJ-VIFPVBQESA-N 1 0 295.368 2.215 20 5 CEBDRO CC(C)(F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602727379 347173575 /nfs/dbraw/zinc/17/35/75/347173575.db2.gz PTTMNKCCSYBEGO-UHFFFAOYSA-N 1 0 296.346 2.296 20 5 CEBDRO Cn1cc(C[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])n1 ZINC000602728573 347174548 /nfs/dbraw/zinc/17/45/48/347174548.db2.gz AWAGRPPZAGHGPF-UHFFFAOYSA-N 1 0 264.329 2.094 20 5 CEBDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000602739152 347180701 /nfs/dbraw/zinc/18/07/01/347180701.db2.gz JWOBLDXWOCBSQE-OAHLLOKOSA-N 1 0 294.351 2.340 20 5 CEBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602744074 347182862 /nfs/dbraw/zinc/18/28/62/347182862.db2.gz OERLUWAGXPMUOU-GZMMTYOYSA-N 1 0 292.257 2.039 20 5 CEBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602832692 347217431 /nfs/dbraw/zinc/21/74/31/347217431.db2.gz VRCLHMJNQBMAMB-QWRGUYRKSA-N 1 0 284.385 2.092 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085962966 179204970 /nfs/dbraw/zinc/20/49/70/179204970.db2.gz JVBPZMGZAFNQCP-OCCSQVGLSA-N 1 0 264.325 2.236 20 5 CEBDRO CC(C)COCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962131 347257827 /nfs/dbraw/zinc/25/78/27/347257827.db2.gz HVBGSTOEYYODIC-OAHLLOKOSA-N 1 0 296.367 2.065 20 5 CEBDRO COC(C)(C)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963474 347258680 /nfs/dbraw/zinc/25/86/80/347258680.db2.gz WDBRFNIMTZCONX-OAHLLOKOSA-N 1 0 296.367 2.207 20 5 CEBDRO CCC[C@H]([NH3+])c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203548 347308247 /nfs/dbraw/zinc/30/82/47/347308247.db2.gz PLUULUINIDGBQN-NSHDSACASA-N 1 0 293.302 2.174 20 5 CEBDRO C[NH2+][C@H](C)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249316 347321333 /nfs/dbraw/zinc/32/13/33/347321333.db2.gz GQOAILACKKIEDE-MNOVXSKESA-N 1 0 289.339 2.384 20 5 CEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000604561623 347423950 /nfs/dbraw/zinc/42/39/50/347423950.db2.gz NVGOIEFQMIRBJL-ZDUSSCGKSA-N 1 0 291.351 2.197 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCC[NH+](C)C ZINC000610111805 347660682 /nfs/dbraw/zinc/66/06/82/347660682.db2.gz FWQHUQMOEYBTDW-UHFFFAOYSA-N 1 0 293.367 2.317 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336840153 365911206 /nfs/dbraw/zinc/91/12/06/365911206.db2.gz PSTFBTFCFZMCBI-KOLCDFICSA-N 1 0 281.360 2.014 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2C1 ZINC000610651246 347698067 /nfs/dbraw/zinc/69/80/67/347698067.db2.gz PBMNNMFELPFCKL-UHFFFAOYSA-N 1 0 286.335 2.158 20 5 CEBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000610808780 347716077 /nfs/dbraw/zinc/71/60/77/347716077.db2.gz KIFHCVNCEGMLPO-UHFFFAOYSA-N 1 0 290.367 2.445 20 5 CEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+](C)C ZINC000611370854 347770670 /nfs/dbraw/zinc/77/06/70/347770670.db2.gz SEDKWCKSBLGGEL-IUCAKERBSA-N 1 0 287.410 2.138 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611084708 347738084 /nfs/dbraw/zinc/73/80/84/347738084.db2.gz LSCDSZGGGRDEEO-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO COCC1(N(C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000611178670 347748159 /nfs/dbraw/zinc/74/81/59/347748159.db2.gz IRVRZMCSFBXDHC-UHFFFAOYSA-N 1 0 280.324 2.214 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCCO)C1CC1 ZINC000611271584 347761041 /nfs/dbraw/zinc/76/10/41/347761041.db2.gz FYOLSWMWHSXDFY-UTCJRWHESA-N 1 0 276.336 2.455 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611271168 347761073 /nfs/dbraw/zinc/76/10/73/347761073.db2.gz QUBYKHNKLUNNKG-CYBMUJFWSA-N 1 0 277.368 2.429 20 5 CEBDRO C[C@H]1CC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498306 347786246 /nfs/dbraw/zinc/78/62/46/347786246.db2.gz AVCYTFNTLYMWHF-NSHDSACASA-N 1 0 281.331 2.165 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000128807625 187391505 /nfs/dbraw/zinc/39/15/05/187391505.db2.gz HKNQHGYGYPPNSR-HNNXBMFYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC000615000549 348264965 /nfs/dbraw/zinc/26/49/65/348264965.db2.gz WWLGXPJYPUCZBV-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1(O)CCCC1 ZINC000087028850 179382295 /nfs/dbraw/zinc/38/22/95/179382295.db2.gz OXQCKWPIPKZEAR-UHFFFAOYSA-N 1 0 264.325 2.032 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000273377754 192132002 /nfs/dbraw/zinc/13/20/02/192132002.db2.gz HDKYINPRFVBGJV-DGCLKSJQSA-N 1 0 264.325 2.418 20 5 CEBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273410821 192140756 /nfs/dbraw/zinc/14/07/56/192140756.db2.gz HUFBVPDKSCZAGF-ZDUSSCGKSA-N 1 0 250.298 2.124 20 5 CEBDRO CC[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616865999 348581336 /nfs/dbraw/zinc/58/13/36/348581336.db2.gz GRFSCDCCTQLBIS-AWEZNQCLSA-N 1 0 280.324 2.132 20 5 CEBDRO C[C@H](C(=O)N(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000617760460 348784475 /nfs/dbraw/zinc/78/44/75/348784475.db2.gz HTHCWVXHWFEWDN-LBPRGKRZSA-N 1 0 293.367 2.108 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000568858964 299159844 /nfs/dbraw/zinc/15/98/44/299159844.db2.gz YLPXDPBJMXBYAI-HNNXBMFYSA-N 1 0 291.351 2.183 20 5 CEBDRO Cc1c(CN[C@@H](C)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000400339392 233176491 /nfs/dbraw/zinc/17/64/91/233176491.db2.gz GITLJDFOKVPLOZ-WCQYABFASA-N 1 0 263.341 2.133 20 5 CEBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000619696327 349219391 /nfs/dbraw/zinc/21/93/91/349219391.db2.gz BGNDBERHUFGZMG-SECBINFHSA-N 1 0 270.358 2.338 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCO)CC1 ZINC000619531607 349194861 /nfs/dbraw/zinc/19/48/61/349194861.db2.gz OETXLFDUMKUUCB-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO CC1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090550683 180002868 /nfs/dbraw/zinc/00/28/68/180002868.db2.gz ZTDCBVYRPWGHIH-UHFFFAOYSA-N 1 0 293.367 2.269 20 5 CEBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550590 180002901 /nfs/dbraw/zinc/00/29/01/180002901.db2.gz TUHMCGUINACDFL-OLZOCXBDSA-N 1 0 293.367 2.267 20 5 CEBDRO Cc1cnc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692235 180024932 /nfs/dbraw/zinc/02/49/32/180024932.db2.gz LUGUKOORRSGPOJ-LLVKDONJSA-N 1 0 264.329 2.052 20 5 CEBDRO C[NH+]1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105454805 186057546 /nfs/dbraw/zinc/05/75/46/186057546.db2.gz WZSVZOGRCPIFJK-UHFFFAOYSA-N 1 0 277.368 2.416 20 5 CEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352186732 219350616 /nfs/dbraw/zinc/35/06/16/219350616.db2.gz NMSQJWQWTQINOE-GFCCVEGCSA-N 1 0 280.324 2.084 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352186798 219350658 /nfs/dbraw/zinc/35/06/58/219350658.db2.gz NZIYDAVWIMKDAY-CYBMUJFWSA-N 1 0 280.324 2.084 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092392471 180375943 /nfs/dbraw/zinc/37/59/43/180375943.db2.gz YIYPQXUICKYLTM-LBPRGKRZSA-N 1 0 252.314 2.010 20 5 CEBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070173259 363047359 /nfs/dbraw/zinc/04/73/59/363047359.db2.gz QQPNKTACXGNCOF-DGCLKSJQSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122016861 187010439 /nfs/dbraw/zinc/01/04/39/187010439.db2.gz YVOGNOPYURCNJJ-LBPRGKRZSA-N 1 0 293.367 2.363 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC2)c1 ZINC000122073272 187013943 /nfs/dbraw/zinc/01/39/43/187013943.db2.gz YTYXDZLUNWAULE-VIFPVBQESA-N 1 0 256.689 2.127 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000122752259 187049554 /nfs/dbraw/zinc/04/95/54/187049554.db2.gz SPFFYSATAKRKDK-MNOVXSKESA-N 1 0 291.351 2.172 20 5 CEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000123444357 187092079 /nfs/dbraw/zinc/09/20/79/187092079.db2.gz UBBILADABXMWBH-UWVGGRQHSA-N 1 0 297.380 2.211 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000123934088 187115345 /nfs/dbraw/zinc/11/53/45/187115345.db2.gz BEWZYNGSIIXHLB-UHFFFAOYSA-N 1 0 293.367 2.221 20 5 CEBDRO CC(C)=CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665250 363155334 /nfs/dbraw/zinc/15/53/34/363155334.db2.gz VBLFNVPMFYQJFQ-LBPRGKRZSA-N 1 0 276.340 2.442 20 5 CEBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897142 363179883 /nfs/dbraw/zinc/17/98/83/363179883.db2.gz QDXLEHAUJZQPRJ-GHMZBOCLSA-N 1 0 291.351 2.314 20 5 CEBDRO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000072873073 363174563 /nfs/dbraw/zinc/17/45/63/363174563.db2.gz HDHPUBPMXDPHBN-PHIMTYICSA-N 1 0 277.324 2.121 20 5 CEBDRO C[C@@H]1CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569233292 299189155 /nfs/dbraw/zinc/18/91/55/299189155.db2.gz ZPVPCNCJIJIMPO-MNOVXSKESA-N 1 0 277.324 2.312 20 5 CEBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494207160 290961398 /nfs/dbraw/zinc/96/13/98/290961398.db2.gz BMDJKGMQFUPOTK-YGRLFVJLSA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000072986868 363189509 /nfs/dbraw/zinc/18/95/09/363189509.db2.gz ZUHMUDDBYQDERN-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])cc([N+](=O)[O-])c1 ZINC000137111086 187893973 /nfs/dbraw/zinc/89/39/73/187893973.db2.gz DAEBLGIXMNLMPM-ZDUSSCGKSA-N 1 0 291.351 2.247 20 5 CEBDRO CN(CC(C)(C)C[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149454276 187922119 /nfs/dbraw/zinc/92/21/19/187922119.db2.gz LXPRPVUGJAOAIV-UHFFFAOYSA-N 1 0 272.736 2.064 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471588 290975231 /nfs/dbraw/zinc/97/52/31/290975231.db2.gz HPFVREFKHFPRJW-WFASDCNBSA-N 1 0 292.335 2.261 20 5 CEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131764272 366085848 /nfs/dbraw/zinc/08/58/48/366085848.db2.gz SWMBXMIYCVWOOZ-UHFFFAOYSA-N 1 0 297.330 2.052 20 5 CEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000155556784 188213478 /nfs/dbraw/zinc/21/34/78/188213478.db2.gz QAEKURRIHCGHSW-RISCZKNCSA-N 1 0 291.351 2.053 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000133235450 366207036 /nfs/dbraw/zinc/20/70/36/366207036.db2.gz ASJSVVXODFOCLU-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO COc1cc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451563665 283036457 /nfs/dbraw/zinc/03/64/57/283036457.db2.gz JYMJCNZJJRNIEI-BXUZGUMPSA-N 1 0 294.351 2.460 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273643505 192244000 /nfs/dbraw/zinc/24/40/00/192244000.db2.gz SPPAAOJVBDJUGS-NSHDSACASA-N 1 0 293.352 2.161 20 5 CEBDRO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133755183 366252782 /nfs/dbraw/zinc/25/27/82/366252782.db2.gz WXEUTCYIVHIAON-TZMCWYRMSA-N 1 0 290.367 2.219 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452127398 283197384 /nfs/dbraw/zinc/19/73/84/283197384.db2.gz VVHLPHIWZUTIHA-LBPRGKRZSA-N 1 0 294.351 2.198 20 5 CEBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000078971970 363560430 /nfs/dbraw/zinc/56/04/30/363560430.db2.gz FFCYFCXJRYBOEW-JTQLQIEISA-N 1 0 299.396 2.362 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000134644508 366348719 /nfs/dbraw/zinc/34/87/19/366348719.db2.gz GGLUDHXQHYOQSC-NTZNESFSSA-N 1 0 262.309 2.182 20 5 CEBDRO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000414660905 236436709 /nfs/dbraw/zinc/43/67/09/236436709.db2.gz OVEQOPRYUFZZGO-GHMZBOCLSA-N 1 0 292.339 2.152 20 5 CEBDRO CCOc1cccc(NC[C@@H](C)C[NH2+]C)c1[N+](=O)[O-] ZINC000135058773 366390828 /nfs/dbraw/zinc/39/08/28/366390828.db2.gz BFHUUHUTPWDJGG-JTQLQIEISA-N 1 0 267.329 2.261 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000135204302 366408852 /nfs/dbraw/zinc/40/88/52/366408852.db2.gz QBXYDZYETCEJRJ-YPMHNXCESA-N 1 0 264.325 2.418 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)CO ZINC000294837218 199205553 /nfs/dbraw/zinc/20/55/53/199205553.db2.gz QOSNAOPDALUZMH-UHFFFAOYSA-N 1 0 266.341 2.354 20 5 CEBDRO C[N@H+](CCC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135256613 366417617 /nfs/dbraw/zinc/41/76/17/366417617.db2.gz JTPWMYSSKOYBEF-CQSZACIVSA-N 1 0 294.351 2.066 20 5 CEBDRO Cc1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000415058454 236613172 /nfs/dbraw/zinc/61/31/72/236613172.db2.gz RTIPQWPEOAGLPN-LLVKDONJSA-N 1 0 291.273 2.273 20 5 CEBDRO Cc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000294927304 199253653 /nfs/dbraw/zinc/25/36/53/199253653.db2.gz UIBPYPNHHUVPSK-LBPRGKRZSA-N 1 0 291.351 2.165 20 5 CEBDRO CC[C@H](COC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000079743228 363626499 /nfs/dbraw/zinc/62/64/99/363626499.db2.gz KXRWMHFRZHBCFV-GFCCVEGCSA-N 1 0 252.314 2.152 20 5 CEBDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699065 366534029 /nfs/dbraw/zinc/53/40/29/366534029.db2.gz IBVSITVJIMECPF-DOMZBBRYSA-N 1 0 296.367 2.341 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000341695555 216070926 /nfs/dbraw/zinc/07/09/26/216070926.db2.gz IWITZTYENVFAIC-VIFPVBQESA-N 1 0 299.396 2.425 20 5 CEBDRO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000148480063 366583158 /nfs/dbraw/zinc/58/31/58/366583158.db2.gz CMJIMQHPPGWRKE-SSDOTTSWSA-N 1 0 258.709 2.005 20 5 CEBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151257703 366633412 /nfs/dbraw/zinc/63/34/12/366633412.db2.gz IYALZCBCRBRYEK-MFKMUULPSA-N 1 0 290.323 2.298 20 5 CEBDRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177842416 189073539 /nfs/dbraw/zinc/07/35/39/189073539.db2.gz CQEKAHSVMASPPZ-GFCCVEGCSA-N 1 0 293.367 2.422 20 5 CEBDRO C[NH2+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178411596 189114527 /nfs/dbraw/zinc/11/45/27/189114527.db2.gz QVYDDIHMBZLSOG-UHFFFAOYSA-N 1 0 293.348 2.149 20 5 CEBDRO Cc1c(NC(=O)N[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000299392040 200708922 /nfs/dbraw/zinc/70/89/22/200708922.db2.gz UWSPCHLVAQVKEK-SNVBAGLBSA-N 1 0 294.355 2.365 20 5 CEBDRO CC[C@H]([NH2+]CC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539684 189200594 /nfs/dbraw/zinc/20/05/94/189200594.db2.gz KJYDVUNCGFULKT-KBPBESRZSA-N 1 0 282.340 2.033 20 5 CEBDRO CC[C@H]([NH2+]CC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539705 189201084 /nfs/dbraw/zinc/20/10/84/189201084.db2.gz KJYDVUNCGFULKT-KGLIPLIRSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446523 189255824 /nfs/dbraw/zinc/25/58/24/189255824.db2.gz OBICHUPJTQZZFM-WDEREUQCSA-N 1 0 278.308 2.199 20 5 CEBDRO Cc1ccc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000301459483 201016729 /nfs/dbraw/zinc/01/67/29/201016729.db2.gz YLJSZJGHTIFTIP-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C)n1)C(C)C ZINC000301642714 201111419 /nfs/dbraw/zinc/11/14/19/201111419.db2.gz MSTRFCXEVYWXOX-UHFFFAOYSA-N 1 0 266.345 2.440 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061797 363795769 /nfs/dbraw/zinc/79/57/69/363795769.db2.gz VTZFWMAUNXPMLM-JSGCOSHPSA-N 1 0 291.351 2.256 20 5 CEBDRO COc1ccc(C[NH2+]Cc2ccncc2)cc1[N+](=O)[O-] ZINC000020012420 361573419 /nfs/dbraw/zinc/57/34/19/361573419.db2.gz CERCKNCZCGPGCN-UHFFFAOYSA-N 1 0 273.292 2.288 20 5 CEBDRO C[NH+](C)C1CCN(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000301996116 201293231 /nfs/dbraw/zinc/29/32/31/201293231.db2.gz HLVSJQFJIDMTDM-UHFFFAOYSA-N 1 0 298.412 2.094 20 5 CEBDRO CC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000030144081 361696033 /nfs/dbraw/zinc/69/60/33/361696033.db2.gz HDZDLQBBKYMRGM-NSHDSACASA-N 1 0 291.351 2.316 20 5 CEBDRO CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087523360 363859500 /nfs/dbraw/zinc/85/95/00/363859500.db2.gz AIPAUOUTOYUTML-MFKMUULPSA-N 1 0 279.340 2.003 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000088147789 363878338 /nfs/dbraw/zinc/87/83/38/363878338.db2.gz AEJOACSKXFJYEY-LBPRGKRZSA-N 1 0 291.351 2.104 20 5 CEBDRO Cc1ccc(C[NH2+][C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000088503425 363902536 /nfs/dbraw/zinc/90/25/36/363902536.db2.gz FMBCYXJTQMMQMI-LLVKDONJSA-N 1 0 252.314 2.154 20 5 CEBDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089511876 363975088 /nfs/dbraw/zinc/97/50/88/363975088.db2.gz KFMFIXNKMAANQB-LBPRGKRZSA-N 1 0 293.367 2.331 20 5 CEBDRO CN(CC[NH+]1CCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000090502168 364060407 /nfs/dbraw/zinc/06/04/07/364060407.db2.gz SVQXWEDLLNBSSF-UHFFFAOYSA-N 1 0 289.339 2.003 20 5 CEBDRO C[C@H](CSC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537881 364062059 /nfs/dbraw/zinc/06/20/59/364062059.db2.gz HKGWANRBJFOVNY-SNVBAGLBSA-N 1 0 286.401 2.301 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000093650041 364211450 /nfs/dbraw/zinc/21/14/50/364211450.db2.gz GCJFGNKZEOSRNP-JTQLQIEISA-N 1 0 274.324 2.488 20 5 CEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237834319 370753574 /nfs/dbraw/zinc/75/35/74/370753574.db2.gz NFWQRAQGOUUYOV-PRHODGIISA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094371908 364271329 /nfs/dbraw/zinc/27/13/29/364271329.db2.gz KQHFLGPCQOTTAS-UKRRQHHQSA-N 1 0 292.335 2.023 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1F ZINC000094774163 364293589 /nfs/dbraw/zinc/29/35/89/364293589.db2.gz KYFUDRUNETWIDP-GFCCVEGCSA-N 1 0 282.315 2.471 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774928 364295209 /nfs/dbraw/zinc/29/52/09/364295209.db2.gz LMSLJKKDOZKOAK-LBPRGKRZSA-N 1 0 281.331 2.260 20 5 CEBDRO COCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000112355041 364799207 /nfs/dbraw/zinc/79/92/07/364799207.db2.gz XPEJWFMPEWJIPY-UHFFFAOYSA-N 1 0 294.351 2.332 20 5 CEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000111829524 364762650 /nfs/dbraw/zinc/76/26/50/364762650.db2.gz APLFEMYGWYKSQV-JTQLQIEISA-N 1 0 299.758 2.351 20 5 CEBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000118888092 365188252 /nfs/dbraw/zinc/18/82/52/365188252.db2.gz HYYBCTBZQBXWOX-UHFFFAOYSA-N 1 0 293.367 2.001 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303065 299357641 /nfs/dbraw/zinc/35/76/41/299357641.db2.gz XYXDWFKLAIPEIM-MRCXROJRSA-N 1 0 296.392 2.284 20 5 CEBDRO C[C@@H](SCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120229720 365391845 /nfs/dbraw/zinc/39/18/45/365391845.db2.gz HZOHHBOBCNAMRE-SNVBAGLBSA-N 1 0 297.380 2.217 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000120540641 365440467 /nfs/dbraw/zinc/44/04/67/365440467.db2.gz FHBCYDHFTUONLD-AAEUAGOBSA-N 1 0 291.351 2.007 20 5 CEBDRO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000120797582 365476958 /nfs/dbraw/zinc/47/69/58/365476958.db2.gz CZQKIVJNGPWZCW-TZMCWYRMSA-N 1 0 291.351 2.162 20 5 CEBDRO COCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159363586 366905801 /nfs/dbraw/zinc/90/58/01/366905801.db2.gz AGAXQAZIWYLDFN-CYBMUJFWSA-N 1 0 295.383 2.132 20 5 CEBDRO CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524505 366920570 /nfs/dbraw/zinc/92/05/70/366920570.db2.gz ISLSVTCLPABRQX-DGCLKSJQSA-N 1 0 289.339 2.316 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1C ZINC000245457784 370822769 /nfs/dbraw/zinc/82/27/69/370822769.db2.gz UMVSTAGFFTWGDQ-GHMZBOCLSA-N 1 0 277.324 2.406 20 5 CEBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000162911816 367203423 /nfs/dbraw/zinc/20/34/23/367203423.db2.gz UQMGGMNSXKIGOS-VHSXEESVSA-N 1 0 291.307 2.251 20 5 CEBDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342748452 367513718 /nfs/dbraw/zinc/51/37/18/367513718.db2.gz JAXJPXJWJKOOBR-COPLHBTASA-N 1 0 291.351 2.160 20 5 CEBDRO CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171680213 367591104 /nfs/dbraw/zinc/59/11/04/367591104.db2.gz MOMDYWNTRBOLDL-AWEZNQCLSA-N 1 0 294.351 2.209 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172605161 367786900 /nfs/dbraw/zinc/78/69/00/367786900.db2.gz ZINYUUHTNAKCBK-KOLCDFICSA-N 1 0 297.380 2.069 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000172718566 367806633 /nfs/dbraw/zinc/80/66/33/367806633.db2.gz ZEGREYGFZDGCPQ-OAHLLOKOSA-N 1 0 286.335 2.411 20 5 CEBDRO COc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343594486 367904696 /nfs/dbraw/zinc/90/46/96/367904696.db2.gz LBNCYNSKDLNHMK-PWSUYJOCSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175245239 368118803 /nfs/dbraw/zinc/11/88/03/368118803.db2.gz WCKOBEMJSZIKSK-VXGBXAGGSA-N 1 0 291.351 2.243 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175245224 368118952 /nfs/dbraw/zinc/11/89/52/368118952.db2.gz WCKOBEMJSZIKSK-NWDGAFQWSA-N 1 0 291.351 2.243 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174807763 368070160 /nfs/dbraw/zinc/07/01/60/368070160.db2.gz OPQVYIWALWXYHG-UHFFFAOYSA-N 1 0 274.324 2.313 20 5 CEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000174808656 368070430 /nfs/dbraw/zinc/07/04/30/368070430.db2.gz NAVSFMHOMSVWDP-UHFFFAOYSA-N 1 0 278.287 2.062 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345942956 368490549 /nfs/dbraw/zinc/49/05/49/368490549.db2.gz FIFZHDXYCKLGEO-RYUDHWBXSA-N 1 0 291.351 2.150 20 5 CEBDRO Cc1c[nH+]ccc1NCCc1cccc([N+](=O)[O-])c1 ZINC000346263767 368613326 /nfs/dbraw/zinc/61/33/26/368613326.db2.gz DOCSNHRZJZNIOG-UHFFFAOYSA-N 1 0 257.293 2.375 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183638572 368637701 /nfs/dbraw/zinc/63/77/01/368637701.db2.gz KXVWPMFHTRRFQD-SNVBAGLBSA-N 1 0 279.340 2.065 20 5 CEBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000346554255 368716326 /nfs/dbraw/zinc/71/63/26/368716326.db2.gz GNQJAQYJAJCBDB-PWSUYJOCSA-N 1 0 298.412 2.482 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC000246243373 370935151 /nfs/dbraw/zinc/93/51/51/370935151.db2.gz SAWKLKBZNFBULX-NWDGAFQWSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000346767182 368789054 /nfs/dbraw/zinc/78/90/54/368789054.db2.gz ICHYBQHXXXEYEL-VXGBXAGGSA-N 1 0 291.351 2.150 20 5 CEBDRO CC1(CO)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186953759 369074837 /nfs/dbraw/zinc/07/48/37/369074837.db2.gz LHEDLUMVBBDNDI-UHFFFAOYSA-N 1 0 278.352 2.232 20 5 CEBDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645041 203073879 /nfs/dbraw/zinc/07/38/79/203073879.db2.gz GIUVXZXZCKKYAE-DZGCQCFKSA-N 1 0 291.351 2.256 20 5 CEBDRO COCC(C)(C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348927301 369202077 /nfs/dbraw/zinc/20/20/77/369202077.db2.gz ZWDXOZDUMSFKRM-UHFFFAOYSA-N 1 0 281.356 2.033 20 5 CEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CC1 ZINC000349010135 369219036 /nfs/dbraw/zinc/21/90/36/369219036.db2.gz QKVINHZBLIFPBA-USYSOWRXSA-N 1 0 276.336 2.359 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]3CCC2CC3)c(F)c1 ZINC000349297377 369291460 /nfs/dbraw/zinc/29/14/60/369291460.db2.gz NRKLBIICXDVCNJ-UHFFFAOYSA-N 1 0 279.315 2.014 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349383962 369316178 /nfs/dbraw/zinc/31/61/78/369316178.db2.gz NOKLUDYELQIIKX-HZMBPMFUSA-N 1 0 264.325 2.106 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000188491695 369364888 /nfs/dbraw/zinc/36/48/88/369364888.db2.gz YDXGIFJXUKUYOJ-UHFFFAOYSA-N 1 0 279.340 2.037 20 5 CEBDRO CC(C)OCC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896434 369443314 /nfs/dbraw/zinc/44/33/14/369443314.db2.gz QWTCYUWHDREADM-SWLSCSKDSA-N 1 0 296.367 2.421 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000330895182 203361935 /nfs/dbraw/zinc/36/19/35/203361935.db2.gz KNVMFCVCPYJLKF-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CC(O)C1 ZINC000190138099 369597895 /nfs/dbraw/zinc/59/78/95/369597895.db2.gz IZLABVSGZHLTKR-IFQILLTASA-N 1 0 264.325 2.359 20 5 CEBDRO CCCC[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000352316302 369671624 /nfs/dbraw/zinc/67/16/24/369671624.db2.gz SRTNQCJDGGGZDM-UHFFFAOYSA-N 1 0 252.318 2.134 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](CCO)CC1CC1 ZINC000352484407 369751146 /nfs/dbraw/zinc/75/11/46/369751146.db2.gz OUOFOCSZXHRZNV-LLVKDONJSA-N 1 0 264.325 2.360 20 5 CEBDRO CCOCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543275 369780122 /nfs/dbraw/zinc/78/01/22/369780122.db2.gz CENGRRKQDTYAQL-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193142717 369899165 /nfs/dbraw/zinc/89/91/65/369899165.db2.gz NBKIWJVPGMKXNS-PWSUYJOCSA-N 1 0 266.345 2.206 20 5 CEBDRO C[N@H+]1C[C@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000193598242 369959572 /nfs/dbraw/zinc/95/95/72/369959572.db2.gz OHYWMUUHDWLAMB-TXEJJXNPSA-N 1 0 295.770 2.242 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCO)c(Cl)c1 ZINC000193284167 369916817 /nfs/dbraw/zinc/91/68/17/369916817.db2.gz HHYZDLNRRAUBMC-UHFFFAOYSA-N 1 0 258.705 2.110 20 5 CEBDRO CCC[NH+](CCC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360942 370031088 /nfs/dbraw/zinc/03/10/88/370031088.db2.gz BTIDYUQFWJAAGD-CYBMUJFWSA-N 1 0 296.367 2.457 20 5 CEBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353034685 369993711 /nfs/dbraw/zinc/99/37/11/369993711.db2.gz AVYJUURFECNEOW-GHMZBOCLSA-N 1 0 282.315 2.496 20 5 CEBDRO O=C(Oc1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000195227109 370116841 /nfs/dbraw/zinc/11/68/41/370116841.db2.gz CWJRZCGLUDGFAB-UHFFFAOYSA-N 1 0 290.319 2.375 20 5 CEBDRO Cc1cccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000353999785 370171450 /nfs/dbraw/zinc/17/14/50/370171450.db2.gz MWNGHKKWPGHBEK-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000195511976 370134858 /nfs/dbraw/zinc/13/48/58/370134858.db2.gz CAVLSCKVWLWCSM-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221150952 370237175 /nfs/dbraw/zinc/23/71/75/370237175.db2.gz TXAKKWWNEATMGG-ZDUSSCGKSA-N 1 0 263.341 2.087 20 5 CEBDRO O=[N+]([O-])c1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217630218 370198659 /nfs/dbraw/zinc/19/86/59/370198659.db2.gz STYRGFOZNTZSDC-GJZGRUSLSA-N 1 0 275.352 2.311 20 5 CEBDRO C[C@H]1C[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000354204353 370258621 /nfs/dbraw/zinc/25/86/21/370258621.db2.gz FMAAGSNUHXTLGS-RYUDHWBXSA-N 1 0 291.351 2.288 20 5 CEBDRO CC[C@H]([NH2+]C[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714861 370382485 /nfs/dbraw/zinc/38/24/85/370382485.db2.gz XTMPWJVJXBUPGX-KGLIPLIRSA-N 1 0 282.340 2.297 20 5 CEBDRO COc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000226345280 370337550 /nfs/dbraw/zinc/33/75/50/370337550.db2.gz ICFGHXXEEHPDQQ-RISCZKNCSA-N 1 0 293.367 2.163 20 5 CEBDRO CC(C)(CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000231401049 370478864 /nfs/dbraw/zinc/47/88/64/370478864.db2.gz IEUFJIWQRNIKFX-UHFFFAOYSA-N 1 0 252.314 2.093 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000231040571 370474062 /nfs/dbraw/zinc/47/40/62/370474062.db2.gz SBSQSGIENQHSEX-AWEZNQCLSA-N 1 0 266.341 2.134 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000232870398 370514572 /nfs/dbraw/zinc/51/45/72/370514572.db2.gz HXCJLAGXMKTKQB-CYBMUJFWSA-N 1 0 291.351 2.103 20 5 CEBDRO CC(C)(C)CC[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236610444 370596651 /nfs/dbraw/zinc/59/66/51/370596651.db2.gz NZWXDIOYJDAXJG-UONOGXRCSA-N 1 0 296.367 2.015 20 5 CEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000235379762 370563619 /nfs/dbraw/zinc/56/36/19/370563619.db2.gz HLDFEWXXNQQEEC-KCJUWKMLSA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000235509252 370568848 /nfs/dbraw/zinc/56/88/48/370568848.db2.gz AUSUKQGCQDDFIA-MISXGVKJSA-N 1 0 264.325 2.406 20 5 CEBDRO C=Cn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000235817563 370578056 /nfs/dbraw/zinc/57/80/56/370578056.db2.gz UHAZFIJDJLYLJB-UHFFFAOYSA-N 1 0 272.308 2.490 20 5 CEBDRO Cc1cnc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000235925609 370580997 /nfs/dbraw/zinc/58/09/97/370580997.db2.gz HRKZGBPGJYVYTQ-GFCCVEGCSA-N 1 0 278.356 2.488 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000236411335 370588520 /nfs/dbraw/zinc/58/85/20/370588520.db2.gz YSAOPYKDBMLUNA-TZMCWYRMSA-N 1 0 262.309 2.252 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236785584 370626689 /nfs/dbraw/zinc/62/66/89/370626689.db2.gz UZVJTJXGKIHVRE-MFKMUULPSA-N 1 0 279.340 2.064 20 5 CEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000358298600 371001236 /nfs/dbraw/zinc/00/12/36/371001236.db2.gz GFVUQLGWYJLOPD-LBPRGKRZSA-N 1 0 293.367 2.445 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)n1 ZINC000358321068 371012260 /nfs/dbraw/zinc/01/22/60/371012260.db2.gz PGXKNQJNHIKVEZ-UHFFFAOYSA-N 1 0 276.340 2.362 20 5 CEBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247047914 371054441 /nfs/dbraw/zinc/05/44/41/371054441.db2.gz MAAJAZWLRHNHRD-LALPHHSUSA-N 1 0 294.351 2.439 20 5 CEBDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247751252 371140065 /nfs/dbraw/zinc/14/00/65/371140065.db2.gz ZDEZIZHVVVYTQP-TZMCWYRMSA-N 1 0 296.367 2.312 20 5 CEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252725649 371472563 /nfs/dbraw/zinc/47/25/63/371472563.db2.gz YKWVRXQEXVGJHF-ZIAGYGMSSA-N 1 0 264.325 2.330 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000361047420 371619226 /nfs/dbraw/zinc/61/92/26/371619226.db2.gz XPDNCQIZLCPEDQ-SKDRFNHKSA-N 1 0 293.371 2.014 20 5 CEBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261596926 371671634 /nfs/dbraw/zinc/67/16/34/371671634.db2.gz XYVGWSAVPVEKFX-GFCCVEGCSA-N 1 0 279.340 2.006 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361065544 371630205 /nfs/dbraw/zinc/63/02/05/371630205.db2.gz KQNFPTHYKLDYMA-ZDUSSCGKSA-N 1 0 264.325 2.248 20 5 CEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C[NH3+])C1 ZINC000261575328 371657483 /nfs/dbraw/zinc/65/74/83/371657483.db2.gz BLURZDQVJOZHID-SMDDNHRTSA-N 1 0 263.341 2.327 20 5 CEBDRO Cc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361164072 371691423 /nfs/dbraw/zinc/69/14/23/371691423.db2.gz CYDJKZLDMOSKIQ-OLZOCXBDSA-N 1 0 277.368 2.428 20 5 CEBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000361256563 371743477 /nfs/dbraw/zinc/74/34/77/371743477.db2.gz CKKFSSSXQQPYGW-UHFFFAOYSA-N 1 0 292.339 2.064 20 5 CEBDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000261896141 371764382 /nfs/dbraw/zinc/76/43/82/371764382.db2.gz WATFSVRDRPWXOJ-UHFFFAOYSA-N 1 0 293.367 2.019 20 5 CEBDRO C[NH2+][C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261984202 371790491 /nfs/dbraw/zinc/79/04/91/371790491.db2.gz JORNMZZKKLIDEM-GBXSZLQWSA-N 1 0 275.352 2.292 20 5 CEBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000262064394 371816453 /nfs/dbraw/zinc/81/64/53/371816453.db2.gz RKSHYYPORUEHLV-MVTQWGDUSA-N 1 0 275.352 2.290 20 5 CEBDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000344146345 217072298 /nfs/dbraw/zinc/07/22/98/217072298.db2.gz PTOYFSCYAOJJSW-YPMHNXCESA-N 1 0 264.325 2.188 20 5 CEBDRO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000265433604 372019388 /nfs/dbraw/zinc/01/93/88/372019388.db2.gz JACXXXYEOCADAM-AWEZNQCLSA-N 1 0 293.367 2.331 20 5 CEBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965525 372147843 /nfs/dbraw/zinc/14/78/43/372147843.db2.gz GQEKQJLLQCKITO-KWQFWETISA-N 1 0 274.267 2.180 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1nncn1C ZINC000268944647 372297654 /nfs/dbraw/zinc/29/76/54/372297654.db2.gz WEQDQKOAWXQOQE-WDEREUQCSA-N 1 0 289.339 2.444 20 5 CEBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692210 372536209 /nfs/dbraw/zinc/53/62/09/372536209.db2.gz IVWPCZOOXDLFGR-GXTWGEPZSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)OCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644443 372516094 /nfs/dbraw/zinc/51/60/94/372516094.db2.gz KHXIZAFYBUESNY-HNNXBMFYSA-N 1 0 296.367 2.375 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000269662109 372522908 /nfs/dbraw/zinc/52/29/08/372522908.db2.gz QKYJUWMBNVXLLX-VNHYZAJKSA-N 1 0 276.336 2.360 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000344407237 217183996 /nfs/dbraw/zinc/18/39/96/217183996.db2.gz JPUWYEPTGWAVJO-HNNXBMFYSA-N 1 0 294.351 2.244 20 5 CEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000270066271 372654866 /nfs/dbraw/zinc/65/48/66/372654866.db2.gz HRRFFMATWHUJHT-UKRRQHHQSA-N 1 0 278.352 2.230 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364335522 372730836 /nfs/dbraw/zinc/73/08/36/372730836.db2.gz GTDVGPSVLIYZAS-NSHDSACASA-N 1 0 296.758 2.318 20 5 CEBDRO CC[N@H+](CCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270753507 372934844 /nfs/dbraw/zinc/93/48/44/372934844.db2.gz VAIKHEYYIBGNFY-NSHDSACASA-N 1 0 252.314 2.360 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271036107 373083538 /nfs/dbraw/zinc/08/35/38/373083538.db2.gz YEMVBXXWVFGFLM-MNOVXSKESA-N 1 0 292.257 2.386 20 5 CEBDRO CC(=O)NCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344840745 217328001 /nfs/dbraw/zinc/32/80/01/217328001.db2.gz FWFQUEOEBYNUJA-XFXZXTDPSA-N 1 0 291.351 2.114 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505320 299443016 /nfs/dbraw/zinc/44/30/16/299443016.db2.gz DYNPDFRUMSAILV-GXFFZTMASA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000353572254 220164589 /nfs/dbraw/zinc/16/45/89/220164589.db2.gz RGWJTUGQUBEBLF-UHFFFAOYSA-N 1 0 289.339 2.020 20 5 CEBDRO C[C@H](O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555923 373548448 /nfs/dbraw/zinc/54/84/48/373548448.db2.gz SEWZVZGVDFHKLP-UUSSSYRCSA-N 1 0 276.336 2.311 20 5 CEBDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000272560419 373551153 /nfs/dbraw/zinc/55/11/53/373551153.db2.gz NLGXRFWYKOFCFN-JTQLQIEISA-N 1 0 289.339 2.223 20 5 CEBDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961310 373734455 /nfs/dbraw/zinc/73/44/55/373734455.db2.gz SMCZYRIPSDJOCJ-QWHCGFSZSA-N 1 0 296.367 2.311 20 5 CEBDRO Cc1ccc(C[N@H+](C)CCCCO)cc1[N+](=O)[O-] ZINC000276629319 374243562 /nfs/dbraw/zinc/24/35/62/374243562.db2.gz JDUBQSUNVLUXNK-UHFFFAOYSA-N 1 0 252.314 2.108 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000248979772 189956212 /nfs/dbraw/zinc/95/62/12/189956212.db2.gz FKJVMJWMQYBGGM-DCAQKATOSA-N 1 0 279.340 2.064 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])s1 ZINC000373931049 374449075 /nfs/dbraw/zinc/44/90/75/374449075.db2.gz AIHPJPQAJVDSDA-VHSXEESVSA-N 1 0 295.364 2.013 20 5 CEBDRO Cc1c(CN2CC[C@@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254733 374454706 /nfs/dbraw/zinc/45/47/06/374454706.db2.gz QLWYBMOAFVREON-GIPWTMENSA-N 1 0 296.392 2.246 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000374047848 374474356 /nfs/dbraw/zinc/47/43/56/374474356.db2.gz CWASAOVVZHXIDE-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277969002 374696952 /nfs/dbraw/zinc/69/69/52/374696952.db2.gz SNXFWQCBLLGYMN-SMDDNHRTSA-N 1 0 264.325 2.418 20 5 CEBDRO C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994323 374840864 /nfs/dbraw/zinc/84/08/64/374840864.db2.gz FDSNOGBNALZFHP-NOZJJQNGSA-N 1 0 264.325 2.288 20 5 CEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377716680 374932516 /nfs/dbraw/zinc/93/25/16/374932516.db2.gz COPYNHOGYDCZQU-HNNXBMFYSA-N 1 0 278.352 2.435 20 5 CEBDRO COc1cc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000280108289 375093698 /nfs/dbraw/zinc/09/36/98/375093698.db2.gz BNGHQAHRBCMDGD-UHFFFAOYSA-N 1 0 295.314 2.416 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380354737 375163181 /nfs/dbraw/zinc/16/31/81/375163181.db2.gz ZIPOHLLZIZSBHA-PHIMTYICSA-N 1 0 279.315 2.170 20 5 CEBDRO CC1=CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280700987 375289572 /nfs/dbraw/zinc/28/95/72/375289572.db2.gz CEJBAKNAADSCFJ-AWEZNQCLSA-N 1 0 262.309 2.280 20 5 CEBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386560693 375261951 /nfs/dbraw/zinc/26/19/51/375261951.db2.gz IYMDPVRJRQDPAQ-SMDDNHRTSA-N 1 0 263.341 2.215 20 5 CEBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282443546 375485919 /nfs/dbraw/zinc/48/59/19/375485919.db2.gz RZVMVOCMDKNQSS-JSGCOSHPSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282587608 375522743 /nfs/dbraw/zinc/52/27/43/375522743.db2.gz WPSUMMITLSZMIH-SKDRFNHKSA-N 1 0 268.288 2.249 20 5 CEBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C1 ZINC000283030883 375640723 /nfs/dbraw/zinc/64/07/23/375640723.db2.gz HPNKUOUHLGERDX-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283880942 375776548 /nfs/dbraw/zinc/77/65/48/375776548.db2.gz CDYMNCZSASPZNV-NSHDSACASA-N 1 0 286.335 2.465 20 5 CEBDRO Cc1ccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000414667383 375907689 /nfs/dbraw/zinc/90/76/89/375907689.db2.gz XPMXBDPJCGICEK-MNOVXSKESA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1ccnc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286472918 375964299 /nfs/dbraw/zinc/96/42/99/375964299.db2.gz VZELDZGSCHDHDR-STQMWFEESA-N 1 0 290.367 2.361 20 5 CEBDRO Cc1c(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414701026 375928325 /nfs/dbraw/zinc/92/83/25/375928325.db2.gz KOXLDUSNIZWYDV-WDEREUQCSA-N 1 0 292.339 2.295 20 5 CEBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429376 375950615 /nfs/dbraw/zinc/95/06/15/375950615.db2.gz BNTKPBQDERWXLG-LLVKDONJSA-N 1 0 299.758 2.381 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000414821496 376009605 /nfs/dbraw/zinc/00/96/05/376009605.db2.gz CGOKBFSJRLNAJS-TZMCWYRMSA-N 1 0 277.368 2.258 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000287492386 376243783 /nfs/dbraw/zinc/24/37/83/376243783.db2.gz SVEQDBBAOXHICI-LLVKDONJSA-N 1 0 282.340 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000289624360 376424522 /nfs/dbraw/zinc/42/45/22/376424522.db2.gz SZMBGPKKEMUJNB-AWEZNQCLSA-N 1 0 264.325 2.236 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C)CC1 ZINC000263782559 190078288 /nfs/dbraw/zinc/07/82/88/190078288.db2.gz OKDVBVQVGDPFJI-GFCCVEGCSA-N 1 0 263.341 2.293 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305844986 376518718 /nfs/dbraw/zinc/51/87/18/376518718.db2.gz SGJAOCUDUMZAHQ-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C ZINC000289962880 376579260 /nfs/dbraw/zinc/57/92/60/376579260.db2.gz YNLBTXYNTASCEK-UHFFFAOYSA-N 1 0 294.355 2.183 20 5 CEBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000310758124 376633816 /nfs/dbraw/zinc/63/38/16/376633816.db2.gz JXGQENOVVGHQIT-LLVKDONJSA-N 1 0 252.314 2.188 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000311962475 376696253 /nfs/dbraw/zinc/69/62/53/376696253.db2.gz PFSACOKOWLLCHH-JSGCOSHPSA-N 1 0 264.325 2.500 20 5 CEBDRO CC(C)[C@@H]([NH3+])c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000313299043 376741912 /nfs/dbraw/zinc/74/19/12/376741912.db2.gz JKZNANXJKKYAHK-CQSZACIVSA-N 1 0 289.339 2.085 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000313685798 376749211 /nfs/dbraw/zinc/74/92/11/376749211.db2.gz QBNPQRHBDUJQNJ-KGLIPLIRSA-N 1 0 280.299 2.391 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000290512415 376813078 /nfs/dbraw/zinc/81/30/78/376813078.db2.gz FKACNEWHAQFGNX-SNVBAGLBSA-N 1 0 266.345 2.319 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000290597615 376848001 /nfs/dbraw/zinc/84/80/01/376848001.db2.gz GYHQMMKFILBWSG-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO C=Cn1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000562500366 376911685 /nfs/dbraw/zinc/91/16/85/376911685.db2.gz LDTDVORYZZTZDZ-UHFFFAOYSA-N 1 0 284.319 2.450 20 5 CEBDRO Cc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423194464 377108639 /nfs/dbraw/zinc/10/86/39/377108639.db2.gz RNSAOKAOQDXEHK-DGCLKSJQSA-N 1 0 263.341 2.306 20 5 CEBDRO CCOc1ccc([C@@H](C)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423180011 377091676 /nfs/dbraw/zinc/09/16/76/377091676.db2.gz DSMBHFFMZZQOCM-YPMHNXCESA-N 1 0 293.367 2.396 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330579211 377192781 /nfs/dbraw/zinc/19/27/81/377192781.db2.gz ICIHECCDXWNSND-VXGBXAGGSA-N 1 0 293.367 2.128 20 5 CEBDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267934 377187659 /nfs/dbraw/zinc/18/76/59/377187659.db2.gz UFJGDFSZPGDNLM-GWCFXTLKSA-N 1 0 251.330 2.229 20 5 CEBDRO Cc1c([C@H](C)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000423282638 377209512 /nfs/dbraw/zinc/20/95/12/377209512.db2.gz DBGDABAOOOFVBH-JTQLQIEISA-N 1 0 251.330 2.291 20 5 CEBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331043601 377254993 /nfs/dbraw/zinc/25/49/93/377254993.db2.gz DPGHHIGVRHLPPH-NSHDSACASA-N 1 0 266.345 2.339 20 5 CEBDRO Cc1c([C@H](C)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000423332835 377263446 /nfs/dbraw/zinc/26/34/46/377263446.db2.gz RGCAWODVSMLXBZ-NSHDSACASA-N 1 0 263.341 2.435 20 5 CEBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331182688 377317087 /nfs/dbraw/zinc/31/70/87/377317087.db2.gz RUQYIRVKJXFUSB-RISCZKNCSA-N 1 0 294.351 2.196 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000292960579 377369937 /nfs/dbraw/zinc/36/99/37/377369937.db2.gz KEHQOXCXLAJVMJ-UHFFFAOYSA-N 1 0 296.277 2.346 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551297 377371113 /nfs/dbraw/zinc/37/11/13/377371113.db2.gz QJKHPTWHSPIMEG-WDEREUQCSA-N 1 0 287.323 2.263 20 5 CEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](O)C2)c1 ZINC000293005517 377389982 /nfs/dbraw/zinc/38/99/82/377389982.db2.gz HBOLGBVCSXYALO-SNVBAGLBSA-N 1 0 290.241 2.180 20 5 CEBDRO CCOc1cccc(N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000293097909 377428493 /nfs/dbraw/zinc/42/84/93/377428493.db2.gz PFHLYALVOTWQNZ-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO C[NH+](C)C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000293157124 377450660 /nfs/dbraw/zinc/45/06/60/377450660.db2.gz UGZGVIGFOYOZDU-SNVBAGLBSA-N 1 0 267.304 2.122 20 5 CEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293518661 377605744 /nfs/dbraw/zinc/60/57/44/377605744.db2.gz VVWUTTBQBDOPBX-GHMZBOCLSA-N 1 0 277.324 2.264 20 5 CEBDRO CCCC[C@H](C[NH3+])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000313154245 249387451 /nfs/dbraw/zinc/38/74/51/249387451.db2.gz FRCSRNGWKCSCOG-PGJNLMOESA-N 1 0 291.351 2.242 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000294042006 377884077 /nfs/dbraw/zinc/88/40/77/377884077.db2.gz OZHWCZSAFPKQIN-CYBMUJFWSA-N 1 0 278.352 2.498 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000294167419 377925973 /nfs/dbraw/zinc/92/59/73/377925973.db2.gz WFTMGTSXPAUHRQ-AWEZNQCLSA-N 1 0 264.325 2.250 20 5 CEBDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000438508929 377904759 /nfs/dbraw/zinc/90/47/59/377904759.db2.gz NJTDPYSKSFGUBK-LBPRGKRZSA-N 1 0 291.351 2.172 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000266103272 190231010 /nfs/dbraw/zinc/23/10/10/190231010.db2.gz ODYJZUPWAVZDTG-GFCCVEGCSA-N 1 0 291.351 2.069 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450469315 378434265 /nfs/dbraw/zinc/43/42/65/378434265.db2.gz QTUDASUVGGELID-AAEUAGOBSA-N 1 0 289.339 2.366 20 5 CEBDRO Cc1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450602152 378494655 /nfs/dbraw/zinc/49/46/55/378494655.db2.gz ZXYRCAPWLAQHQG-CYBMUJFWSA-N 1 0 293.367 2.162 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000450782567 378577061 /nfs/dbraw/zinc/57/70/61/378577061.db2.gz YGLHCEMJAKCLEV-ABAIWWIYSA-N 1 0 298.346 2.283 20 5 CEBDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264597 378848441 /nfs/dbraw/zinc/84/84/41/378848441.db2.gz WGUIMMXQPAWDGY-SWLSCSKDSA-N 1 0 296.367 2.341 20 5 CEBDRO COCC(COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453364946 378874212 /nfs/dbraw/zinc/87/42/12/378874212.db2.gz WMUVKUWJIDPZNV-NSHDSACASA-N 1 0 282.340 2.215 20 5 CEBDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000347064370 218109960 /nfs/dbraw/zinc/10/99/60/218109960.db2.gz JVHIWQBQIKIDPM-TXEJJXNPSA-N 1 0 263.341 2.085 20 5 CEBDRO C[NH2+]C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347151335 218139327 /nfs/dbraw/zinc/13/93/27/218139327.db2.gz BDGRJNVYRGFWGH-AGLBCWCQSA-N 1 0 275.352 2.149 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1C ZINC000347271786 218174780 /nfs/dbraw/zinc/17/47/80/218174780.db2.gz SEVQPFVELVFMTJ-WCQYABFASA-N 1 0 292.335 2.287 20 5 CEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000347271784 218174861 /nfs/dbraw/zinc/17/48/61/218174861.db2.gz SEVQPFVELVFMTJ-DGCLKSJQSA-N 1 0 292.335 2.287 20 5 CEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000347248665 218168345 /nfs/dbraw/zinc/16/83/45/218168345.db2.gz MJNVHERJUVKZNR-NSHDSACASA-N 1 0 279.340 2.055 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)c1 ZINC000266351463 190251182 /nfs/dbraw/zinc/25/11/82/190251182.db2.gz JMFGMTPSQIURKN-UHFFFAOYSA-N 1 0 293.367 2.381 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000299657472 379094820 /nfs/dbraw/zinc/09/48/20/379094820.db2.gz POHWIYMJXSQNFJ-SNVBAGLBSA-N 1 0 288.307 2.487 20 5 CEBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000301152917 379206545 /nfs/dbraw/zinc/20/65/45/379206545.db2.gz BMPLVDUNIMYVID-SECBINFHSA-N 1 0 295.368 2.056 20 5 CEBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304261138 379539906 /nfs/dbraw/zinc/53/99/06/379539906.db2.gz TZLGZZZVQHXUGO-CQSZACIVSA-N 1 0 282.340 2.244 20 5 CEBDRO COc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000304071210 379520213 /nfs/dbraw/zinc/52/02/13/379520213.db2.gz VLIDRMHGIXMSBX-AWEZNQCLSA-N 1 0 282.340 2.100 20 5 CEBDRO CCc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000266907890 190289091 /nfs/dbraw/zinc/28/90/91/190289091.db2.gz ILXMYFQWOPGQJS-NSHDSACASA-N 1 0 293.367 2.227 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000266962270 190293552 /nfs/dbraw/zinc/29/35/52/190293552.db2.gz IEUOTSGQBYXSQM-UHFFFAOYSA-N 1 0 293.367 2.426 20 5 CEBDRO CCc1ccc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000266975629 190294722 /nfs/dbraw/zinc/29/47/22/190294722.db2.gz YBHVJGUIYAZGHM-UHFFFAOYSA-N 1 0 293.367 2.229 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000267066805 190300829 /nfs/dbraw/zinc/30/08/29/190300829.db2.gz HTFCXSBFFXIWCA-ZDUSSCGKSA-N 1 0 296.396 2.147 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)C1 ZINC000267152019 190307354 /nfs/dbraw/zinc/30/73/54/190307354.db2.gz MRVONXFINOPZID-NWDGAFQWSA-N 1 0 264.325 2.360 20 5 CEBDRO COc1ccc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000305269913 379701172 /nfs/dbraw/zinc/70/11/72/379701172.db2.gz XMBRIUYDOMAIEC-AAEUAGOBSA-N 1 0 294.351 2.339 20 5 CEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000267182173 190309537 /nfs/dbraw/zinc/30/95/37/190309537.db2.gz BVIVETQHOXMBTN-LBPRGKRZSA-N 1 0 293.367 2.381 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000457088227 379660769 /nfs/dbraw/zinc/66/07/69/379660769.db2.gz QPWMKWDDMYYUFH-JTQLQIEISA-N 1 0 297.380 2.211 20 5 CEBDRO CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000347796709 218360085 /nfs/dbraw/zinc/36/00/85/218360085.db2.gz VMCOGHPWVWUSAN-UONOGXRCSA-N 1 0 295.408 2.385 20 5 CEBDRO CC[NH+](CC)CCOCCNc1ccccc1[N+](=O)[O-] ZINC000347881701 218388494 /nfs/dbraw/zinc/38/84/94/218388494.db2.gz SNVGFUMEKJLKOH-UHFFFAOYSA-N 1 0 281.356 2.365 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863476 380365055 /nfs/dbraw/zinc/36/50/55/380365055.db2.gz CKMHQEVYCXYVGL-QDZRJHCZSA-N 1 0 291.351 2.064 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493267206 380888507 /nfs/dbraw/zinc/88/85/07/380888507.db2.gz OBYFZZVALVNGOR-HJWRWDBZSA-N 1 0 291.351 2.064 20 5 CEBDRO C[NH+](C)CC(C)(C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493468838 381007061 /nfs/dbraw/zinc/00/70/61/381007061.db2.gz ROCZJDVYEAUXQY-KTKRTIGZSA-N 1 0 291.351 2.064 20 5 CEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000289359836 197311396 /nfs/dbraw/zinc/31/13/96/197311396.db2.gz ZBQFSUYMWZULMY-MGCOHNPYSA-N 1 0 297.380 2.151 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000350396939 219014357 /nfs/dbraw/zinc/01/43/57/219014357.db2.gz XTIAWUQKRJMOER-IUODEOHRSA-N 1 0 277.368 2.476 20 5 CEBDRO O=[N+]([O-])c1ccsc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301977671 285170306 /nfs/dbraw/zinc/17/03/06/285170306.db2.gz DNGJLPMAQJMBQC-SNVBAGLBSA-N 1 0 267.354 2.331 20 5 CEBDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000288522958 197102128 /nfs/dbraw/zinc/10/21/28/197102128.db2.gz GOGIHHVUCJECDS-ZYHUDNBSSA-N 1 0 277.324 2.230 20 5 CEBDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000287340300 196835482 /nfs/dbraw/zinc/83/54/82/196835482.db2.gz NAPRYYALYKZYMX-LLVKDONJSA-N 1 0 282.340 2.033 20 5 CEBDRO C[NH+](C)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774326 184858806 /nfs/dbraw/zinc/85/88/06/184858806.db2.gz DQPYTLJUAXPSRF-UHFFFAOYSA-N 1 0 281.331 2.260 20 5 CEBDRO COc1ccc(CNC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000282308754 195571228 /nfs/dbraw/zinc/57/12/28/195571228.db2.gz SHRPXLQUYDGMDS-UHFFFAOYSA-N 1 0 293.367 2.177 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1C1CC1 ZINC000357518834 533661751 /nfs/dbraw/zinc/66/17/51/533661751.db2.gz AIGSXHWGAJNBOB-MWLCHTKSSA-N 1 0 262.313 2.027 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189972471 130046046 /nfs/dbraw/zinc/04/60/46/130046046.db2.gz STTZAENGJWMWBF-YPMHNXCESA-N 1 0 264.325 2.236 20 5 CEBDRO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955343 394453881 /nfs/dbraw/zinc/45/38/81/394453881.db2.gz LIEQKXSWWGGIPI-YPMHNXCESA-N 1 0 291.351 2.175 20 5 CEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421092510 394483746 /nfs/dbraw/zinc/48/37/46/394483746.db2.gz HOHMFCQXZNRQNZ-ZDUSSCGKSA-N 1 0 292.339 2.153 20 5 CEBDRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245467452 394499942 /nfs/dbraw/zinc/49/99/42/394499942.db2.gz ZMFRHSADRNERLS-FZMZJTMJSA-N 1 0 289.335 2.184 20 5 CEBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413246599 394511625 /nfs/dbraw/zinc/51/16/25/394511625.db2.gz LIRMMOGKTWHPLZ-QWRGUYRKSA-N 1 0 268.292 2.024 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057315345 394563040 /nfs/dbraw/zinc/56/30/40/394563040.db2.gz NQQINVIWEAEZKC-VIFPVBQESA-N 1 0 295.368 2.199 20 5 CEBDRO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421703786 394570107 /nfs/dbraw/zinc/57/01/07/394570107.db2.gz NALZAOOYPXKBTL-ZDUSSCGKSA-N 1 0 291.351 2.069 20 5 CEBDRO COCC[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000255564098 394584272 /nfs/dbraw/zinc/58/42/72/394584272.db2.gz DLJMXDFMKZBOSO-ALCCZGGFSA-N 1 0 294.351 2.203 20 5 CEBDRO CC[C@@H](C)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000421384020 394519839 /nfs/dbraw/zinc/51/98/39/394519839.db2.gz OKXUCIZEVQUJDI-SECBINFHSA-N 1 0 268.313 2.445 20 5 CEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000307896625 394523685 /nfs/dbraw/zinc/52/36/85/394523685.db2.gz LTOMXXLZVXIAAM-NSHDSACASA-N 1 0 297.742 2.119 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000249016620 394550931 /nfs/dbraw/zinc/55/09/31/394550931.db2.gz JKHSZDWMDWJSRI-JJLQDPRZSA-N 1 0 278.352 2.371 20 5 CEBDRO CCOc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000261598254 394603970 /nfs/dbraw/zinc/60/39/70/394603970.db2.gz AWBVJFJRMHAZOB-VXGBXAGGSA-N 1 0 291.351 2.039 20 5 CEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000330841059 394625651 /nfs/dbraw/zinc/62/56/51/394625651.db2.gz NHGVREJEXAREKT-UWVGGRQHSA-N 1 0 266.345 2.243 20 5 CEBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422717999 394738122 /nfs/dbraw/zinc/73/81/22/394738122.db2.gz WNVJXFYZUVIFLU-GFCCVEGCSA-N 1 0 291.351 2.152 20 5 CEBDRO CC[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267214787 394674416 /nfs/dbraw/zinc/67/44/16/394674416.db2.gz MMCLJEGIGPXWTG-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000414088689 394699655 /nfs/dbraw/zinc/69/96/55/394699655.db2.gz JKWXJOSRNWLTEN-VXGBXAGGSA-N 1 0 266.345 2.206 20 5 CEBDRO Cc1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268809484 394699994 /nfs/dbraw/zinc/69/99/94/394699994.db2.gz GRMLXBSXEJEQCA-STQMWFEESA-N 1 0 290.367 2.219 20 5 CEBDRO C[C@H](CC[NH3+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414877555 394784509 /nfs/dbraw/zinc/78/45/09/394784509.db2.gz GEFQMDIIXMIMPZ-MRVPVSSYSA-N 1 0 257.721 2.075 20 5 CEBDRO Cc1ccc(CNCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414910378 394799803 /nfs/dbraw/zinc/79/98/03/394799803.db2.gz VCPYHYYWDUPVKE-CYBMUJFWSA-N 1 0 263.341 2.135 20 5 CEBDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000274782162 394801085 /nfs/dbraw/zinc/80/10/85/394801085.db2.gz GBCQHBGWXZGTBW-UHFFFAOYSA-N 1 0 280.328 2.023 20 5 CEBDRO C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000414952797 394821488 /nfs/dbraw/zinc/82/14/88/394821488.db2.gz QZGDPOFYQMBXNU-GXSJLCMTSA-N 1 0 283.759 2.478 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414961707 394827109 /nfs/dbraw/zinc/82/71/09/394827109.db2.gz VVKPQMJAQJBOOU-ZANVPECISA-N 1 0 283.759 2.478 20 5 CEBDRO CC[C@H]([NH3+])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414980111 394836026 /nfs/dbraw/zinc/83/60/26/394836026.db2.gz OZRDPZWMZWMYBT-VIFPVBQESA-N 1 0 289.282 2.023 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414992423 394840540 /nfs/dbraw/zinc/84/05/40/394840540.db2.gz BROLQXPGGXINDJ-ZYHUDNBSSA-N 1 0 281.331 2.341 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000415413233 394929026 /nfs/dbraw/zinc/92/90/26/394929026.db2.gz DIYMYRBNOVMIMC-ZYHUDNBSSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000415451141 394933196 /nfs/dbraw/zinc/93/31/96/394933196.db2.gz ZUQZNHBDQOHWHR-WDEREUQCSA-N 1 0 292.339 2.117 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415581286 394945934 /nfs/dbraw/zinc/94/59/34/394945934.db2.gz NDPFPCLTELKTCE-SNVBAGLBSA-N 1 0 280.328 2.023 20 5 CEBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628745 394948981 /nfs/dbraw/zinc/94/89/81/394948981.db2.gz GKHMAKVMCNWBGV-UHFFFAOYSA-N 1 0 298.318 2.373 20 5 CEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628989 394950216 /nfs/dbraw/zinc/95/02/16/394950216.db2.gz HFXUFTPLFKUYNY-LLVKDONJSA-N 1 0 298.318 2.229 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152342149 394994275 /nfs/dbraw/zinc/99/42/75/394994275.db2.gz XALBOPNYEFTNIQ-STQMWFEESA-N 1 0 294.351 2.244 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152342080 394994431 /nfs/dbraw/zinc/99/44/31/394994431.db2.gz XALBOPNYEFTNIQ-QWHCGFSZSA-N 1 0 294.351 2.244 20 5 CEBDRO CC[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342205534 395011641 /nfs/dbraw/zinc/01/16/41/395011641.db2.gz MTMSAIWTHYTFPM-UHFFFAOYSA-N 1 0 267.304 2.266 20 5 CEBDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000367738683 394970375 /nfs/dbraw/zinc/97/03/75/394970375.db2.gz BWRBDVYUVPAXSH-LLVKDONJSA-N 1 0 250.298 2.206 20 5 CEBDRO CC(C)c1ccc(C[NH2+][C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000345862361 395080437 /nfs/dbraw/zinc/08/04/37/395080437.db2.gz VPGMVXMGXRJCDD-SNVBAGLBSA-N 1 0 279.340 2.072 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427123516 395093072 /nfs/dbraw/zinc/09/30/72/395093072.db2.gz XXTWFOPZQHBGFD-HIFRSBDPSA-N 1 0 275.352 2.087 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471587 395114948 /nfs/dbraw/zinc/11/49/48/395114948.db2.gz HPFVREFKHFPRJW-SWLSCSKDSA-N 1 0 292.335 2.261 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C(F)F)CCC2 ZINC000436282600 395104905 /nfs/dbraw/zinc/10/49/05/395104905.db2.gz HQWKZQPYERSNCH-RYUDHWBXSA-N 1 0 286.278 2.188 20 5 CEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494699627 395136900 /nfs/dbraw/zinc/13/69/00/395136900.db2.gz QPLOKNUFQWAUHN-GWCFXTLKSA-N 1 0 262.309 2.113 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494699630 395137136 /nfs/dbraw/zinc/13/71/36/395137136.db2.gz QPLOKNUFQWAUHN-ZWNOBZJWSA-N 1 0 262.309 2.113 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000351510461 395226361 /nfs/dbraw/zinc/22/63/61/395226361.db2.gz RBEOBELVRXMEAC-VXGBXAGGSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1c(C[N@@H+](C)[C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295082524 395284826 /nfs/dbraw/zinc/28/48/26/395284826.db2.gz DNDMXJHBBKXYKZ-NSHDSACASA-N 1 0 266.341 2.494 20 5 CEBDRO C[NH2+]CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420366899 395353713 /nfs/dbraw/zinc/35/37/13/395353713.db2.gz VDDDMNNIPUIWNK-UHFFFAOYSA-N 1 0 263.341 2.169 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434960594 395340480 /nfs/dbraw/zinc/34/04/80/395340480.db2.gz VICRYCRITHJILI-VIFPVBQESA-N 1 0 284.747 2.174 20 5 CEBDRO COc1ccc(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000420359135 395346678 /nfs/dbraw/zinc/34/66/78/395346678.db2.gz FZNVZFOEEZDFSB-UEKVPHQBSA-N 1 0 293.367 2.080 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC3(CCCC3)C2)n1 ZINC000445842888 395471860 /nfs/dbraw/zinc/47/18/60/395471860.db2.gz VBWQGWSWWQEPBO-UHFFFAOYSA-N 1 0 278.356 2.448 20 5 CEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000451262577 395600826 /nfs/dbraw/zinc/60/08/26/395600826.db2.gz XPNPQDQWIJXASX-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)O ZINC000449544288 395554134 /nfs/dbraw/zinc/55/41/34/395554134.db2.gz QEMPRTRHRVEFKE-MFKMUULPSA-N 1 0 252.314 2.152 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451441804 395618345 /nfs/dbraw/zinc/61/83/45/395618345.db2.gz ZJOTZOSQBHTNFE-RNCFNFMXSA-N 1 0 286.278 2.358 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441803 395618497 /nfs/dbraw/zinc/61/84/97/395618497.db2.gz ZJOTZOSQBHTNFE-NOZJJQNGSA-N 1 0 286.278 2.358 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC000451192700 395591604 /nfs/dbraw/zinc/59/16/04/395591604.db2.gz INBJILUTXONSEI-LLVKDONJSA-N 1 0 295.314 2.276 20 5 CEBDRO Cc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000135225761 400280532 /nfs/dbraw/zinc/28/05/32/400280532.db2.gz SYSGVBXELMVSJT-NSHDSACASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000590570314 400614938 /nfs/dbraw/zinc/61/49/38/400614938.db2.gz WLBFBBAPEYISTQ-FZMZJTMJSA-N 1 0 263.341 2.432 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000574365527 400606004 /nfs/dbraw/zinc/60/60/04/400606004.db2.gz VLHNLMSTKVXGID-GFCCVEGCSA-N 1 0 289.339 2.236 20 5 CEBDRO C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359924969 155171757 /nfs/dbraw/zinc/17/17/57/155171757.db2.gz PSISDALYYUQJOQ-CABZTGNLSA-N 1 0 288.307 2.310 20 5 CEBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCc1ccncc1)CC2 ZINC000360493104 155313007 /nfs/dbraw/zinc/31/30/07/155313007.db2.gz WNQQGKQRAQBHHL-UHFFFAOYSA-N 1 0 298.346 2.376 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453721 153323107 /nfs/dbraw/zinc/32/31/07/153323107.db2.gz WPPACHWCCUIGDR-KCJUWKMLSA-N 1 0 274.267 2.180 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCOC2)cs1 ZINC000230165840 153386608 /nfs/dbraw/zinc/38/66/08/153386608.db2.gz AFLCONWIQMIUTA-VIFPVBQESA-N 1 0 256.327 2.173 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000272259999 292296095 /nfs/dbraw/zinc/29/60/95/292296095.db2.gz BMRXDSDBTWSFND-AAEUAGOBSA-N 1 0 264.325 2.421 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261765371 153835364 /nfs/dbraw/zinc/83/53/64/153835364.db2.gz MTOWQYNUCBLGQU-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000352658994 154324893 /nfs/dbraw/zinc/32/48/93/154324893.db2.gz HMXOZRHIWCBTEE-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000367705791 156227987 /nfs/dbraw/zinc/22/79/87/156227987.db2.gz QZJFOUDHJHCDRB-LLVKDONJSA-N 1 0 292.364 2.379 20 5 CEBDRO C[C@H](F)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000375639683 157120052 /nfs/dbraw/zinc/12/00/52/157120052.db2.gz FWNAMCYGAWGBGU-JTQLQIEISA-N 1 0 270.308 2.176 20 5 CEBDRO C[S@@](=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168129536 162363598 /nfs/dbraw/zinc/36/35/98/162363598.db2.gz CMNAXAKTNBTZHG-SFHVURJKSA-N 1 0 290.772 2.106 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293625441 287030694 /nfs/dbraw/zinc/03/06/94/287030694.db2.gz HEZQGTVTMZVEKJ-GHMZBOCLSA-N 1 0 292.383 2.310 20 5 CEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060965 165034688 /nfs/dbraw/zinc/03/46/88/165034688.db2.gz CIKAZPHXJKXUMP-BDAKNGLRSA-N 1 0 272.732 2.355 20 5 CEBDRO O=[N+]([O-])c1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000170741384 165040145 /nfs/dbraw/zinc/04/01/45/165040145.db2.gz BCZQWDKSKNKFQS-HNNXBMFYSA-N 1 0 275.352 2.265 20 5 CEBDRO CC[C@]1(C)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271143 165158806 /nfs/dbraw/zinc/15/88/06/165158806.db2.gz YELAHDCKFMHTGL-CYBMUJFWSA-N 1 0 266.345 2.303 20 5 CEBDRO C[NH+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000021798999 171325560 /nfs/dbraw/zinc/32/55/60/171325560.db2.gz BCGDOWLCJPBKFR-UHFFFAOYSA-N 1 0 288.145 2.331 20 5 CEBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084579 171971981 /nfs/dbraw/zinc/97/19/81/171971981.db2.gz ZVFZHVOGPQTVIC-UHFFFAOYSA-N 1 0 260.297 2.117 20 5 CEBDRO CN(Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746592 174391967 /nfs/dbraw/zinc/39/19/67/174391967.db2.gz JBKMWWGRZDADOE-NNQSOWQGSA-N 1 0 275.352 2.310 20 5 CEBDRO C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596415 175076643 /nfs/dbraw/zinc/07/66/43/175076643.db2.gz SCFMGDDUTJDUDN-UHFFFAOYSA-N 1 0 288.145 2.331 20 5 CEBDRO CCCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071330820 176124465 /nfs/dbraw/zinc/12/44/65/176124465.db2.gz IMDWMABRJJMUDI-ZDUSSCGKSA-N 1 0 281.331 2.308 20 5 CEBDRO CCCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000071332062 176125188 /nfs/dbraw/zinc/12/51/88/176125188.db2.gz UKEXEYJORIVOIX-CQSZACIVSA-N 1 0 277.368 2.477 20 5 CEBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000418103314 228048773 /nfs/dbraw/zinc/04/87/73/228048773.db2.gz ISZOYVKLCZXYEU-WVSHTKLVSA-N 1 0 270.716 2.251 20 5 CEBDRO COC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537619 260039043 /nfs/dbraw/zinc/03/90/43/260039043.db2.gz XGIKWBNKNNJFBU-UPJWGTAASA-N 1 0 296.371 2.147 20 5 CEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)CO ZINC000449165833 260267267 /nfs/dbraw/zinc/26/72/67/260267267.db2.gz XPEUETDROAKXDF-UTUOFQBUSA-N 1 0 266.341 2.132 20 5 CEBDRO Cc1c(C[N@@H+]2CC[C@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452117403 263038061 /nfs/dbraw/zinc/03/80/61/263038061.db2.gz CXIZNQVBPXAKRX-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000519545887 265466499 /nfs/dbraw/zinc/46/64/99/265466499.db2.gz VXXUYTOYALRCTA-OCCSQVGLSA-N 1 0 262.309 2.206 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514613983 266017828 /nfs/dbraw/zinc/01/78/28/266017828.db2.gz FAJUXSNXXLNQRN-GWCFXTLKSA-N 1 0 264.325 2.333 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000315027782 270333544 /nfs/dbraw/zinc/33/35/44/270333544.db2.gz XWPINHCSRRTRHI-MISXGVKJSA-N 1 0 291.351 2.020 20 5 CEBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000395542205 270346999 /nfs/dbraw/zinc/34/69/99/270346999.db2.gz BHHSHGOCNHIMCC-CYBMUJFWSA-N 1 0 293.367 2.235 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398698605 270361631 /nfs/dbraw/zinc/36/16/31/270361631.db2.gz SCIDZTXFAKEYNW-NWDGAFQWSA-N 1 0 294.351 2.054 20 5 CEBDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000399587661 270371022 /nfs/dbraw/zinc/37/10/22/270371022.db2.gz PMXCKXPIVBLUFI-FZMZJTMJSA-N 1 0 293.367 2.173 20 5 CEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421339908 270604776 /nfs/dbraw/zinc/60/47/76/270604776.db2.gz HDYCUPRMQDPNRQ-UHFFFAOYSA-N 1 0 286.335 2.459 20 5 CEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000422779839 270764254 /nfs/dbraw/zinc/76/42/54/270764254.db2.gz JGEVMBYXFKOXMH-SECBINFHSA-N 1 0 297.380 2.174 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423615413 270928079 /nfs/dbraw/zinc/92/80/79/270928079.db2.gz RAUKWBJQZAEYLA-YPMHNXCESA-N 1 0 291.351 2.082 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428444338 271267064 /nfs/dbraw/zinc/26/70/64/271267064.db2.gz VMHSIENJAYEJSZ-ZQMJAJRESA-N 1 0 276.336 2.455 20 5 CEBDRO COC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217462 271363865 /nfs/dbraw/zinc/36/38/65/271363865.db2.gz HIZOOBCKBOWZLF-LLVKDONJSA-N 1 0 280.324 2.072 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)C(C)(C)C ZINC000430220389 271365523 /nfs/dbraw/zinc/36/55/23/271365523.db2.gz PRSVLYSEBMGLMP-CQSZACIVSA-N 1 0 296.367 2.490 20 5 CEBDRO CCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301444746 273614155 /nfs/dbraw/zinc/61/41/55/273614155.db2.gz PBIZRXSFNJZDBI-UHFFFAOYSA-N 1 0 263.341 2.435 20 5 CEBDRO CCC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000337916850 273614689 /nfs/dbraw/zinc/61/46/89/273614689.db2.gz RNFJQCRGDHNOIN-UHFFFAOYSA-N 1 0 278.356 2.139 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000044572363 273638203 /nfs/dbraw/zinc/63/82/03/273638203.db2.gz KRLHUDARISVNRB-SECBINFHSA-N 1 0 297.384 2.446 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540768 274334850 /nfs/dbraw/zinc/33/48/50/274334850.db2.gz CCWJPZUYQSDRHE-SKDRFNHKSA-N 1 0 298.774 2.420 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261617797 274957974 /nfs/dbraw/zinc/95/79/74/274957974.db2.gz AJMUAOPUSRMEMD-WCQYABFASA-N 1 0 289.335 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H](O)C1)CCC2 ZINC000295830098 275038119 /nfs/dbraw/zinc/03/81/19/275038119.db2.gz CMYQHXHFAQWSEY-SUHUHFCYSA-N 1 0 262.309 2.085 20 5 CEBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000408464378 275040886 /nfs/dbraw/zinc/04/08/86/275040886.db2.gz FDCFMEHUDQSQRT-NSHDSACASA-N 1 0 294.330 2.194 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228943514 275655604 /nfs/dbraw/zinc/65/56/04/275655604.db2.gz CVWPAHNPRDIPAA-GHMZBOCLSA-N 1 0 279.340 2.159 20 5 CEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000359217954 276277208 /nfs/dbraw/zinc/27/72/08/276277208.db2.gz GUZHGIBOTCHYHR-CYBMUJFWSA-N 1 0 291.351 2.117 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000286161401 277070104 /nfs/dbraw/zinc/07/01/04/277070104.db2.gz JLHADNYNASFZDA-YPMHNXCESA-N 1 0 290.367 2.098 20 5 CEBDRO COC(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037416842 277316887 /nfs/dbraw/zinc/31/68/87/277316887.db2.gz ZFSXZSQYDDIRHI-SNVBAGLBSA-N 1 0 266.297 2.199 20 5 CEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262115754 277935768 /nfs/dbraw/zinc/93/57/68/277935768.db2.gz WWQBTCATCKWUPJ-VHSXEESVSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143225 278259582 /nfs/dbraw/zinc/25/95/82/278259582.db2.gz MKYNWPMDSNAMHO-QWRGUYRKSA-N 1 0 295.339 2.038 20 5 CEBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131108004 278874808 /nfs/dbraw/zinc/87/48/08/278874808.db2.gz KXDJSCFDUVNUBQ-ZWNOBZJWSA-N 1 0 252.314 2.406 20 5 CEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000347293482 279119305 /nfs/dbraw/zinc/11/93/05/279119305.db2.gz YTYFFVXZMOBYPM-SECBINFHSA-N 1 0 285.369 2.116 20 5 CEBDRO [NH3+]CCN(C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000289877070 279627673 /nfs/dbraw/zinc/62/76/73/279627673.db2.gz RRDCKSLMTWHNBQ-GFCCVEGCSA-N 1 0 277.324 2.053 20 5 CEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000111010191 279638647 /nfs/dbraw/zinc/63/86/47/279638647.db2.gz ZWHUUNBZPYOQGQ-VIFPVBQESA-N 1 0 297.742 2.059 20 5 CEBDRO CSCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000134213894 280015422 /nfs/dbraw/zinc/01/54/22/280015422.db2.gz RIRCRGSGFKXKQW-SNVBAGLBSA-N 1 0 297.380 2.217 20 5 CEBDRO C[C@H]1[NH2+]CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000346683345 280051125 /nfs/dbraw/zinc/05/11/25/280051125.db2.gz QLBVIYOQXKCKNQ-NXEZZACHSA-N 1 0 283.759 2.430 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000150233721 280079658 /nfs/dbraw/zinc/07/96/58/280079658.db2.gz GVPKQCKCOFZZLL-JTQLQIEISA-N 1 0 299.758 2.496 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCC1 ZINC000194768656 280194119 /nfs/dbraw/zinc/19/41/19/280194119.db2.gz LAYMVEDHGPZGIY-UHFFFAOYSA-N 1 0 291.351 2.119 20 5 CEBDRO Cc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000297430549 280336335 /nfs/dbraw/zinc/33/63/35/280336335.db2.gz SVDIIKRMDDTXBM-CHIMOYNISA-N 1 0 291.351 2.101 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH+](C)C)CC2)n1 ZINC000408171397 280398428 /nfs/dbraw/zinc/39/84/28/280398428.db2.gz IUTSRJMRRFKIFQ-UHFFFAOYSA-N 1 0 278.356 2.137 20 5 CEBDRO CC1(C)C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CO1 ZINC000396590301 280674691 /nfs/dbraw/zinc/67/46/91/280674691.db2.gz PEUVFDBNUSZYEZ-LBPRGKRZSA-N 1 0 264.325 2.294 20 5 CEBDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422946413 280975339 /nfs/dbraw/zinc/97/53/39/280975339.db2.gz ONHVAMVOKMQFCE-UONOGXRCSA-N 1 0 263.341 2.344 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000280973426 281008360 /nfs/dbraw/zinc/00/83/60/281008360.db2.gz ANULNWGWZCKYPC-UHFFFAOYSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)n1 ZINC000178150663 281012120 /nfs/dbraw/zinc/01/21/20/281012120.db2.gz PJHPBKFOWMKDFU-UHFFFAOYSA-N 1 0 278.356 2.076 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297328985 281016569 /nfs/dbraw/zinc/01/65/69/281016569.db2.gz HNEIYWNAXUYXBG-MJVIPROJSA-N 1 0 291.351 2.101 20 5 CEBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424310860 281146286 /nfs/dbraw/zinc/14/62/86/281146286.db2.gz DBHYOCCSAQOCHD-JHJVBQTASA-N 1 0 250.298 2.159 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC23CC3)n1 ZINC000424315821 281148561 /nfs/dbraw/zinc/14/85/61/281148561.db2.gz DVQUQECLRDWQBD-UTUOFQBUSA-N 1 0 276.340 2.417 20 5 CEBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242812 290055541 /nfs/dbraw/zinc/05/55/41/290055541.db2.gz BRHSFPZLXXZJCQ-KWBADKCTSA-N 1 0 250.298 2.423 20 5 CEBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CS1 ZINC000488439033 290399796 /nfs/dbraw/zinc/39/97/96/290399796.db2.gz HOBNQTSTAOGJEU-ZYHUDNBSSA-N 1 0 298.412 2.301 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355344732 299895170 /nfs/dbraw/zinc/89/51/70/299895170.db2.gz DWFLEJAUYVXDLN-UWVGGRQHSA-N 1 0 252.318 2.091 20 5 CEBDRO C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000119287011 297221402 /nfs/dbraw/zinc/22/14/02/297221402.db2.gz DMJAETCUVMWORF-OUCADQQQSA-N 1 0 293.367 2.171 20 5 CEBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000542523541 298291939 /nfs/dbraw/zinc/29/19/39/298291939.db2.gz GFZJVZRPKWOJKM-AWEZNQCLSA-N 1 0 282.340 2.234 20 5 CEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000182715012 312829741 /nfs/dbraw/zinc/82/97/41/312829741.db2.gz KVRRFHPBTRPVAF-QWRGUYRKSA-N 1 0 266.345 2.206 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000576122167 314245272 /nfs/dbraw/zinc/24/52/72/314245272.db2.gz YJDATZPFSGVDMA-ZWNOBZJWSA-N 1 0 298.346 2.452 20 5 CEBDRO CC(C)(NC(=O)CCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000577108849 314341784 /nfs/dbraw/zinc/34/17/84/314341784.db2.gz DAUJDMJQRDJLCY-UHFFFAOYSA-N 1 0 279.340 2.075 20 5 CEBDRO CN(C)C(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577865713 314422875 /nfs/dbraw/zinc/42/28/75/314422875.db2.gz LDBZGBPDJUUFGT-CYBMUJFWSA-N 1 0 291.351 2.040 20 5 CEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578731602 314510664 /nfs/dbraw/zinc/51/06/64/314510664.db2.gz KESDEMBALZSLJZ-OLZOCXBDSA-N 1 0 298.346 2.189 20 5 CEBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000380506479 321830718 /nfs/dbraw/zinc/83/07/18/321830718.db2.gz YNJFFZZCTVJMSK-WDEREUQCSA-N 1 0 279.315 2.088 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000382455258 321840052 /nfs/dbraw/zinc/84/00/52/321840052.db2.gz QBDXZWZSEBDTKI-BDAKNGLRSA-N 1 0 297.742 2.248 20 5 CEBDRO Cc1ccc(C[NH2+]CCCN2CCC2)cc1[N+](=O)[O-] ZINC000580328481 322311553 /nfs/dbraw/zinc/31/15/53/322311553.db2.gz VWFGBAZOUNGBHR-UHFFFAOYSA-N 1 0 263.341 2.089 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCn1ccnc1 ZINC000581022036 322363279 /nfs/dbraw/zinc/36/32/79/322363279.db2.gz JESATXLGAFOQST-CQSZACIVSA-N 1 0 286.335 2.459 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)C[NH3+] ZINC000415576020 534054804 /nfs/dbraw/zinc/05/48/04/534054804.db2.gz FQCTVOSPASKXCH-UHFFFAOYSA-N 1 0 280.328 2.070 20 5 CEBDRO Cc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171841983 534068719 /nfs/dbraw/zinc/06/87/19/534068719.db2.gz PQSXBFSPKGWIBG-AWEZNQCLSA-N 1 0 266.341 2.400 20 5 CEBDRO CC(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050991770 519647170 /nfs/dbraw/zinc/64/71/70/519647170.db2.gz QPRVBWRRZZBKFP-LLVKDONJSA-N 1 0 291.351 2.256 20 5 CEBDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453941 519758868 /nfs/dbraw/zinc/75/88/68/519758868.db2.gz JFNNJBZMIKEGOW-IUODEOHRSA-N 1 0 296.367 2.279 20 5 CEBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480594 521513119 /nfs/dbraw/zinc/51/31/19/521513119.db2.gz QPGVUTULTWLAJB-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000053297672 521550900 /nfs/dbraw/zinc/55/09/00/521550900.db2.gz RRXUABIRNSABQC-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000068449935 522050670 /nfs/dbraw/zinc/05/06/70/522050670.db2.gz MVWCYYQFYGJDBF-SNVBAGLBSA-N 1 0 265.313 2.264 20 5 CEBDRO COc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1[N+](=O)[O-] ZINC000186892199 524023397 /nfs/dbraw/zinc/02/33/97/524023397.db2.gz SNLXPTAOCIOTOY-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000070078159 524621163 /nfs/dbraw/zinc/62/11/63/524621163.db2.gz CSCBGBPHSVSWMV-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000062726293 525369544 /nfs/dbraw/zinc/36/95/44/525369544.db2.gz VLXNLOLUCRENBD-SMDDNHRTSA-N 1 0 264.325 2.294 20 5 CEBDRO Cc1c(CN2CCCC[C@@H]2C(=[NH2+])NO)cccc1[N+](=O)[O-] ZINC000364768535 525704548 /nfs/dbraw/zinc/70/45/48/525704548.db2.gz JDYJBHBSXVORFP-CYBMUJFWSA-N 1 0 292.339 2.214 20 5 CEBDRO Cc1c(C[NH2+]CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049575137 525725765 /nfs/dbraw/zinc/72/57/65/525725765.db2.gz NJTLKAPNHZDETQ-UHFFFAOYSA-N 1 0 277.368 2.479 20 5 CEBDRO Cc1c(CN[C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049557378 525726840 /nfs/dbraw/zinc/72/68/40/525726840.db2.gz WIDCQXNDROROGB-LLVKDONJSA-N 1 0 265.357 2.333 20 5 CEBDRO [NH3+][C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444819 527400915 /nfs/dbraw/zinc/40/09/15/527400915.db2.gz GIYRJRVQNBBRNG-NSHDSACASA-N 1 0 269.732 2.171 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCCC[C@H]32)n1 ZINC000366099617 527407488 /nfs/dbraw/zinc/40/74/88/527407488.db2.gz UPATXTPUWIPKSP-VXGBXAGGSA-N 1 0 264.329 2.056 20 5 CEBDRO CC[NH+](CC)CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195047841 528168057 /nfs/dbraw/zinc/16/80/57/528168057.db2.gz KAYQEZCROSVGTR-UHFFFAOYSA-N 1 0 252.318 2.011 20 5 CEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC(C)(C)C1 ZINC000412029530 528611840 /nfs/dbraw/zinc/61/18/40/528611840.db2.gz DBIMEIKBDCJUMY-UHFFFAOYSA-N 1 0 293.367 2.267 20 5 CEBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000414961658 529129945 /nfs/dbraw/zinc/12/99/45/529129945.db2.gz BPPXYCBSXVJYAN-JTQLQIEISA-N 1 0 269.370 2.134 20 5 CEBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350727 529145409 /nfs/dbraw/zinc/14/54/09/529145409.db2.gz USUPCKPAWKXBCN-NWDGAFQWSA-N 1 0 293.367 2.029 20 5 CEBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261789797 536342691 /nfs/dbraw/zinc/34/26/91/536342691.db2.gz QUGZAERGMNMJTF-JTQLQIEISA-N 1 0 293.367 2.230 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000742834170 575035450 /nfs/dbraw/zinc/03/54/50/575035450.db2.gz MKXMIZMMJQTVRX-AWEZNQCLSA-N 1 0 293.367 2.219 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751923279 575301169 /nfs/dbraw/zinc/30/11/69/575301169.db2.gz ASULATHDJKZWBY-LLVKDONJSA-N 1 0 287.323 2.295 20 5 CEBDRO Cc1nn(C[N@H+]2CCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751924273 575301216 /nfs/dbraw/zinc/30/12/16/575301216.db2.gz IYHPATFTEGIBFR-SECBINFHSA-N 1 0 275.312 2.090 20 5 CEBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097441342 622664008 /nfs/dbraw/zinc/66/40/08/622664008.db2.gz OEYKBHUWSXKNSW-VIFPVBQESA-N 1 0 272.732 2.356 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000049964286 623276042 /nfs/dbraw/zinc/27/60/42/623276042.db2.gz YDELFKRGDQBEIQ-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000050373636 623401865 /nfs/dbraw/zinc/40/18/65/623401865.db2.gz ZFAKIDSNIANYDZ-YPMHNXCESA-N 1 0 280.324 2.261 20 5 CEBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934016141 624165697 /nfs/dbraw/zinc/16/56/97/624165697.db2.gz SHBLAHBRVBXWOU-CYBMUJFWSA-N 1 0 279.340 2.021 20 5 CEBDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000934124416 624245322 /nfs/dbraw/zinc/24/53/22/624245322.db2.gz HWDSHUKQGIJOIH-UONOGXRCSA-N 1 0 264.325 2.247 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000820596137 634466386 /nfs/dbraw/zinc/46/63/86/634466386.db2.gz QKPNAUTWHWKLBD-MWLCHTKSSA-N 1 0 294.311 2.032 20 5 CEBDRO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429035 634650177 /nfs/dbraw/zinc/65/01/77/634650177.db2.gz JJIDYFXBEBDGDZ-SGMGOOAPSA-N 1 0 277.368 2.428 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C2(C)CCC2)c1[N+](=O)[O-] ZINC000893383907 628543646 /nfs/dbraw/zinc/54/36/46/628543646.db2.gz HOHAHPNUEJDIFF-UHFFFAOYSA-N 1 0 266.297 2.341 20 5 CEBDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902472884 634664513 /nfs/dbraw/zinc/66/45/13/634664513.db2.gz KKMZFHHYLRLZMT-PCGAWMICSA-N 1 0 261.325 2.138 20 5 CEBDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000313010274 628575598 /nfs/dbraw/zinc/57/55/98/628575598.db2.gz ACXDONUPVJEQHU-LBPRGKRZSA-N 1 0 268.288 2.249 20 5 CEBDRO Cn1cnc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000313256332 628585488 /nfs/dbraw/zinc/58/54/88/628585488.db2.gz UCRBYGURWPZRPF-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCC2 ZINC000902464901 634683190 /nfs/dbraw/zinc/68/31/90/634683190.db2.gz FHENVOPBPRGVCT-BQDHKBFISA-N 1 0 287.363 2.455 20 5 CEBDRO CC[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000250205354 628919875 /nfs/dbraw/zinc/91/98/75/628919875.db2.gz BXOGZEXIYCWNAR-SNVBAGLBSA-N 1 0 267.304 2.264 20 5 CEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH3+] ZINC000261550161 628937423 /nfs/dbraw/zinc/93/74/23/628937423.db2.gz MEBOIRXFTZOLHB-PRHODGIISA-N 1 0 269.732 2.027 20 5 CEBDRO C[C@]1(C[NH3+])CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261633193 628953718 /nfs/dbraw/zinc/95/37/18/628953718.db2.gz WCWSMWGYBBHWRQ-CYBMUJFWSA-N 1 0 283.759 2.419 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000893941999 629056533 /nfs/dbraw/zinc/05/65/33/629056533.db2.gz YGFJBWKRYKSYLH-WFASDCNBSA-N 1 0 298.346 2.283 20 5 CEBDRO CN(CC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894448984 629467271 /nfs/dbraw/zinc/46/72/71/629467271.db2.gz IJCLHUPZISOZMH-UHFFFAOYSA-N 1 0 271.748 2.242 20 5 CEBDRO CCC[C@@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894663938 629578456 /nfs/dbraw/zinc/57/84/56/629578456.db2.gz OVANBEKNEGZGKR-NSHDSACASA-N 1 0 298.339 2.214 20 5 CEBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000894692166 629591232 /nfs/dbraw/zinc/59/12/32/629591232.db2.gz PEWMNIYDQPYAQY-SNVBAGLBSA-N 1 0 298.364 2.246 20 5 CEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000262060426 629661276 /nfs/dbraw/zinc/66/12/76/629661276.db2.gz RBAKTLLAGPORSN-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000902636060 634756191 /nfs/dbraw/zinc/75/61/91/634756191.db2.gz DURHMDMTXATTPE-JSGCOSHPSA-N 1 0 290.323 2.011 20 5 CEBDRO Cc1cnc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000895100945 629896553 /nfs/dbraw/zinc/89/65/53/629896553.db2.gz GBDZGDFLYHSUKM-ZDUSSCGKSA-N 1 0 292.383 2.465 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000895193253 630024973 /nfs/dbraw/zinc/02/49/73/630024973.db2.gz RMBJOYWPTBBNLK-NWDGAFQWSA-N 1 0 261.325 2.268 20 5 CEBDRO C[C@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000895734955 630324676 /nfs/dbraw/zinc/32/46/76/630324676.db2.gz BGPVCLBBWBRRSA-CMPLNLGQSA-N 1 0 290.367 2.373 20 5 CEBDRO CC(=O)c1c(N[C@@H]2CC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000895734231 630324740 /nfs/dbraw/zinc/32/47/40/630324740.db2.gz KVRIQBADDMOMDK-GXSJLCMTSA-N 1 0 277.324 2.302 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000895735299 630325789 /nfs/dbraw/zinc/32/57/89/630325789.db2.gz CXQPFYHDQXAODS-NOZJJQNGSA-N 1 0 277.324 2.302 20 5 CEBDRO C[C@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[N@@H+]1C ZINC000895736890 630326199 /nfs/dbraw/zinc/32/61/99/630326199.db2.gz PMJMRSITYYFDRL-VHSXEESVSA-N 1 0 287.323 2.043 20 5 CEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000895738751 630328310 /nfs/dbraw/zinc/32/83/10/630328310.db2.gz ZIQBEZOMFUAFLT-RNCFNFMXSA-N 1 0 277.324 2.302 20 5 CEBDRO CCO[C@H](CNc1ccsc1[N+](=O)[O-])C[NH+](C)C ZINC000896110033 630472843 /nfs/dbraw/zinc/47/28/43/630472843.db2.gz QOCHQAHJTAKZFZ-SECBINFHSA-N 1 0 273.358 2.035 20 5 CEBDRO Cc1cc(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896913947 630797801 /nfs/dbraw/zinc/79/78/01/630797801.db2.gz ZBZXAKFHZYPUEY-DOMZBBRYSA-N 1 0 275.352 2.291 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+](C)C ZINC000798821696 630934775 /nfs/dbraw/zinc/93/47/75/630934775.db2.gz KCWJSFKGWDFEGJ-ZDUSSCGKSA-N 1 0 298.314 2.363 20 5 CEBDRO CC1(C)CC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000897247782 631014862 /nfs/dbraw/zinc/01/48/62/631014862.db2.gz DVYUZWYCBBCWRZ-UHFFFAOYSA-N 1 0 264.329 2.134 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000799343139 631016165 /nfs/dbraw/zinc/01/61/65/631016165.db2.gz AVSQVJXHCCWLRY-KCPJHIHWSA-N 1 0 294.351 2.128 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000801546126 631286335 /nfs/dbraw/zinc/28/63/35/631286335.db2.gz IDGDAVMSRPWHOB-ONGXEEELSA-N 1 0 296.298 2.117 20 5 CEBDRO CN(CC(C)(C)C[NH+](C)C)c1cccnc1[N+](=O)[O-] ZINC000897419431 631339057 /nfs/dbraw/zinc/33/90/57/631339057.db2.gz KHLUQBRNLBSWRP-UHFFFAOYSA-N 1 0 266.345 2.014 20 5 CEBDRO C[C@@H](C[NH2+]Cc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000897459967 631529988 /nfs/dbraw/zinc/52/99/88/631529988.db2.gz DOXPCJQFURZCJC-JTQLQIEISA-N 1 0 260.297 2.211 20 5 CEBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000803492356 631572749 /nfs/dbraw/zinc/57/27/49/631572749.db2.gz CMRRSWNBOPAMTD-ZDUSSCGKSA-N 1 0 298.314 2.363 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804379378 631672427 /nfs/dbraw/zinc/67/24/27/631672427.db2.gz LNSVMFAAADOVMU-JTQLQIEISA-N 1 0 294.311 2.398 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1 ZINC000898172449 632080701 /nfs/dbraw/zinc/08/07/01/632080701.db2.gz JBSCCPBSLLJCAH-UHFFFAOYSA-N 1 0 286.331 2.419 20 5 CEBDRO Cc1c(C[NH2+][C@@H]2COC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000898377659 632185288 /nfs/dbraw/zinc/18/52/88/632185288.db2.gz WPZJBCSVKUMTJK-UONOGXRCSA-N 1 0 276.336 2.418 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000814937751 632936347 /nfs/dbraw/zinc/93/63/47/632936347.db2.gz OSEJWOZGDRDXPA-SNVBAGLBSA-N 1 0 294.311 2.033 20 5 CEBDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]n1 ZINC000815581244 633034814 /nfs/dbraw/zinc/03/48/14/633034814.db2.gz ZPDPZCLDBBSEJQ-VIFPVBQESA-N 1 0 289.339 2.313 20 5 CEBDRO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000900478323 633737995 /nfs/dbraw/zinc/73/79/95/633737995.db2.gz RPVUTNGBSAURIE-LBPRGKRZSA-N 1 0 292.339 2.249 20 5 CEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000819231983 634111152 /nfs/dbraw/zinc/11/11/52/634111152.db2.gz AUTUYNUZPRRCEP-QGZVFWFLSA-N 1 0 298.342 2.385 20 5 CEBDRO CC1(C)CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819247922 634115799 /nfs/dbraw/zinc/11/57/99/634115799.db2.gz RROXNFCHLDQEQX-KBPBESRZSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819249769 634116583 /nfs/dbraw/zinc/11/65/83/634116583.db2.gz LZTGWALVXFQLAD-FRRDWIJNSA-N 1 0 294.351 2.113 20 5 CEBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000901515712 634171809 /nfs/dbraw/zinc/17/18/09/634171809.db2.gz AHFYKTWZGPGNEV-ZDUSSCGKSA-N 1 0 277.324 2.406 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]CCCCO)cc([N+](=O)[O-])c1 ZINC000903158678 634993026 /nfs/dbraw/zinc/99/30/26/634993026.db2.gz JJBMMIFKVUEKDZ-SNVBAGLBSA-N 1 0 268.313 2.027 20 5 CEBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)cc([N+](=O)[O-])c1 ZINC000903148201 634996034 /nfs/dbraw/zinc/99/60/34/634996034.db2.gz QPYWVNUWLWVKKR-AXFHLTTASA-N 1 0 282.340 2.413 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)C[NH3+])n1 ZINC000822807625 635000227 /nfs/dbraw/zinc/00/02/27/635000227.db2.gz BRXNUGHJVRYADV-MRVPVSSYSA-N 1 0 262.269 2.015 20 5 CEBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288579 635052377 /nfs/dbraw/zinc/05/23/77/635052377.db2.gz ZDLGKADRVAYREL-XYHOJCAOSA-N 1 0 292.335 2.443 20 5 CEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN1C ZINC000903325394 635055666 /nfs/dbraw/zinc/05/56/66/635055666.db2.gz YXLVXPWNNFQTAV-OCCSQVGLSA-N 1 0 277.368 2.210 20 5 CEBDRO Cc1cc(-c2noc([C@H](C)C[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270347 635119067 /nfs/dbraw/zinc/11/90/67/635119067.db2.gz QDMVUXMZJRRDFT-MRVPVSSYSA-N 1 0 262.269 2.015 20 5 CEBDRO Cc1cc(-c2noc([C@@H](C)C[NH3+])n2)cc([N+](=O)[O-])c1 ZINC000823270348 635119234 /nfs/dbraw/zinc/11/92/34/635119234.db2.gz QDMVUXMZJRRDFT-QMMMGPOBSA-N 1 0 262.269 2.015 20 5 CEBDRO Cc1c(-c2noc(CC[C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000823269166 635119237 /nfs/dbraw/zinc/11/92/37/635119237.db2.gz DASCQRVOXAUQDN-QMMMGPOBSA-N 1 0 276.296 2.233 20 5 CEBDRO [NH3+]C[C@]12CC[C@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000903796478 635274740 /nfs/dbraw/zinc/27/47/40/635274740.db2.gz WBUGRXFNRLOROV-UKRRQHHQSA-N 1 0 275.352 2.298 20 5 CEBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000903797935 635275606 /nfs/dbraw/zinc/27/56/06/635275606.db2.gz LLQSIILYPSHEIK-SWLSCSKDSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000903821254 635289822 /nfs/dbraw/zinc/28/98/22/635289822.db2.gz IIBSPFOLFMNVMZ-GDBMZVCRSA-N 1 0 283.331 2.309 20 5 CEBDRO CC1(C)C[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000903821664 635289830 /nfs/dbraw/zinc/28/98/30/635289830.db2.gz PAETZIQIWSIQAG-GFCCVEGCSA-N 1 0 283.759 2.336 20 5 CEBDRO C[NH2+]CCCCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000904110080 635452921 /nfs/dbraw/zinc/45/29/21/635452921.db2.gz MZJWCUZVZXUZGX-UHFFFAOYSA-N 1 0 282.325 2.248 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000904121132 635460373 /nfs/dbraw/zinc/46/03/73/635460373.db2.gz JERWNIOPTSVRMT-JTQLQIEISA-N 1 0 284.360 2.364 20 5 CEBDRO C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800570 635708111 /nfs/dbraw/zinc/70/81/11/635708111.db2.gz YXMWPIKEYWAGRT-UWVGGRQHSA-N 1 0 275.312 2.135 20 5 CEBDRO Cc1cc2c(CC[NH2+]CC[N+](=O)[O-])c[nH]c2cc1F ZINC000905402877 636258686 /nfs/dbraw/zinc/25/86/86/636258686.db2.gz CECSBOHTRHAKSI-UHFFFAOYSA-N 1 0 265.288 2.024 20 5 CEBDRO C=C/C=C/CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905422720 636260686 /nfs/dbraw/zinc/26/06/86/636260686.db2.gz JFGBQCKPWSTGIH-XGACYXMMSA-N 1 0 292.335 2.056 20 5 CEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149232111 636842977 /nfs/dbraw/zinc/84/29/77/636842977.db2.gz IWEHBTVHSUJABP-SECBINFHSA-N 1 0 297.742 2.072 20 5 CEBDRO CC[N@H+](CCSC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830999481 637214474 /nfs/dbraw/zinc/21/44/74/637214474.db2.gz MENXNMDFTNXHBZ-ZDUSSCGKSA-N 1 0 284.381 2.313 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC)[NH+](C)C ZINC000908282260 637284241 /nfs/dbraw/zinc/28/42/41/637284241.db2.gz UFZNMALQWCQHTF-LBPRGKRZSA-N 1 0 295.339 2.272 20 5 CEBDRO O=C1OCC[C@@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539191 637365874 /nfs/dbraw/zinc/36/58/74/637365874.db2.gz OJSMMFDOTMWRIE-JSGCOSHPSA-N 1 0 290.319 2.090 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCOCC1 ZINC000876618336 650361873 /nfs/dbraw/zinc/36/18/73/650361873.db2.gz RKCZHQNZLFALPT-UHFFFAOYSA-N 1 0 264.325 2.434 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2[NH2+]CC23CCCC3)cc1[N+](=O)[O-] ZINC000911906683 638474219 /nfs/dbraw/zinc/47/42/19/638474219.db2.gz JHAVMDCSLPBULD-CYBMUJFWSA-N 1 0 289.335 2.374 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000876855640 650460796 /nfs/dbraw/zinc/46/07/96/650460796.db2.gz XYNNJCXENPXILD-NSHDSACASA-N 1 0 293.367 2.459 20 5 CEBDRO CCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876892384 650476365 /nfs/dbraw/zinc/47/63/65/650476365.db2.gz BVGBNGQUBJVJFV-KPPDAEKUSA-N 1 0 252.318 2.273 20 5 CEBDRO CC(C)C[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000225588883 639508035 /nfs/dbraw/zinc/50/80/35/639508035.db2.gz OTRZNTRUTCNMLP-SNVBAGLBSA-N 1 0 258.343 2.153 20 5 CEBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840821447 639552456 /nfs/dbraw/zinc/55/24/56/639552456.db2.gz NJXKBGHZQKDKRN-IUPBHXKESA-N 1 0 279.340 2.395 20 5 CEBDRO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158013075 639559495 /nfs/dbraw/zinc/55/94/95/639559495.db2.gz PYVUSQKSXVLURF-GHFMQEIDSA-N 1 0 282.365 2.157 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032681 639625059 /nfs/dbraw/zinc/62/50/59/639625059.db2.gz JBAHGZVLRXVIND-GFCCVEGCSA-N 1 0 283.759 2.480 20 5 CEBDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1[N+](=O)[O-] ZINC000228560050 639644539 /nfs/dbraw/zinc/64/45/39/639644539.db2.gz WHDZLPDWUQNVPU-LLVKDONJSA-N 1 0 288.307 2.420 20 5 CEBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1 ZINC000841233510 639714576 /nfs/dbraw/zinc/71/45/76/639714576.db2.gz WMRQFNBWDHEZGL-UHFFFAOYSA-N 1 0 298.730 2.251 20 5 CEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000843049193 640253639 /nfs/dbraw/zinc/25/36/39/640253639.db2.gz IVVORCPGEOZCDQ-LLVKDONJSA-N 1 0 269.732 2.042 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843065573 640266169 /nfs/dbraw/zinc/26/61/69/640266169.db2.gz NVRYREDYJCJVAA-AOOOYVTPSA-N 1 0 283.759 2.430 20 5 CEBDRO CCC(CC)(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843098413 640280015 /nfs/dbraw/zinc/28/00/15/640280015.db2.gz WOLDMHADYFJNIX-CQSZACIVSA-N 1 0 296.367 2.017 20 5 CEBDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843129535 640296579 /nfs/dbraw/zinc/29/65/79/640296579.db2.gz PMSLEGRGRQZCTB-DTWKUNHWSA-N 1 0 271.748 2.464 20 5 CEBDRO CNc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)cc1[N+](=O)[O-] ZINC000843148304 640307123 /nfs/dbraw/zinc/30/71/23/640307123.db2.gz PHWKIPLJWQBHNS-LLVKDONJSA-N 1 0 291.311 2.342 20 5 CEBDRO CCC[NH2+][C@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192380 640343259 /nfs/dbraw/zinc/34/32/59/640343259.db2.gz TXIHMLMFPLMISU-SECBINFHSA-N 1 0 291.311 2.024 20 5 CEBDRO Cc1c(-c2noc(C[C@@H]3CCC[NH2+]3)n2)cccc1[N+](=O)[O-] ZINC000843237441 640364597 /nfs/dbraw/zinc/36/45/97/640364597.db2.gz AZMANMDBHOEGNV-JTQLQIEISA-N 1 0 288.307 2.248 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000915872388 640638704 /nfs/dbraw/zinc/63/87/04/640638704.db2.gz GVOWTGYWRFXMTF-UHFFFAOYSA-N 1 0 272.326 2.155 20 5 CEBDRO CC[NH+](CC)CCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000844257877 640647197 /nfs/dbraw/zinc/64/71/97/640647197.db2.gz GXIMLUFECPLHKW-UHFFFAOYSA-N 1 0 272.326 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844469774 640740466 /nfs/dbraw/zinc/74/04/66/640740466.db2.gz DZTLNDDMDYUGBM-OLZOCXBDSA-N 1 0 298.289 2.359 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000917620137 640906069 /nfs/dbraw/zinc/90/60/69/640906069.db2.gz IYMBPWSUMRHLFA-LBPRGKRZSA-N 1 0 264.329 2.403 20 5 CEBDRO C[N@@H+]1CC[C@H](CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000847830516 641798963 /nfs/dbraw/zinc/79/89/63/641798963.db2.gz RLVQKCTTYAZLMR-LLVKDONJSA-N 1 0 278.308 2.093 20 5 CEBDRO [NH3+]CC12CCC(CC1)CN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000848600721 642072783 /nfs/dbraw/zinc/07/27/83/642072783.db2.gz JHSJORCGBFXBGJ-UHFFFAOYSA-N 1 0 293.342 2.437 20 5 CEBDRO [NH3+]C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000848714691 642109589 /nfs/dbraw/zinc/10/95/89/642109589.db2.gz SKQOBSKXNFJVOX-VIFPVBQESA-N 1 0 297.664 2.227 20 5 CEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)OCC[NH+]1CCCCC1 ZINC000770386620 642156073 /nfs/dbraw/zinc/15/60/73/642156073.db2.gz XKBTVOJWFUZNCE-UHFFFAOYSA-N 1 0 292.335 2.166 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000877487676 650746327 /nfs/dbraw/zinc/74/63/27/650746327.db2.gz ZEEMJSWLYHJJAL-AWEZNQCLSA-N 1 0 278.352 2.414 20 5 CEBDRO CC(F)(F)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877558175 650787922 /nfs/dbraw/zinc/78/79/22/650787922.db2.gz YTFLBDZFJTXQNY-UHFFFAOYSA-N 1 0 274.271 2.130 20 5 CEBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(F)F ZINC000877604353 650810715 /nfs/dbraw/zinc/81/07/15/650810715.db2.gz LJSSNEWYFWRSGF-IDKOKCKLSA-N 1 0 288.298 2.376 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000852583563 643481759 /nfs/dbraw/zinc/48/17/59/643481759.db2.gz YDGOABCGTIHWOS-QWHCGFSZSA-N 1 0 280.299 2.127 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCc2ccco2)c1 ZINC000853123145 643667102 /nfs/dbraw/zinc/66/71/02/643667102.db2.gz WBJBTKAONCDDDR-HNNXBMFYSA-N 1 0 290.319 2.444 20 5 CEBDRO CC[N@@H+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000853458502 643776804 /nfs/dbraw/zinc/77/68/04/643776804.db2.gz NLSFXIDRWKMOCM-GFCCVEGCSA-N 1 0 293.367 2.442 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]4C[C@H]4C3)n2)cc1 ZINC000853581283 643822170 /nfs/dbraw/zinc/82/21/70/643822170.db2.gz UHZWTUSAHCFMHL-STQMWFEESA-N 1 0 299.334 2.153 20 5 CEBDRO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000853989679 643962301 /nfs/dbraw/zinc/96/23/01/643962301.db2.gz FHXBZCLORGYIAV-HNNXBMFYSA-N 1 0 293.367 2.142 20 5 CEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)C2CC2)C2CC2)c1 ZINC000838872618 644058568 /nfs/dbraw/zinc/05/85/68/644058568.db2.gz JHFQRIYBIFUEHI-OAHLLOKOSA-N 1 0 276.336 2.330 20 5 CEBDRO C[C@H](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000855414292 644336213 /nfs/dbraw/zinc/33/62/13/644336213.db2.gz YGLBDBBNGAWQBS-UVMWJGKXSA-N 1 0 291.351 2.064 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000754832760 644437270 /nfs/dbraw/zinc/43/72/70/644437270.db2.gz KFNKILDIVHZWGW-NSHDSACASA-N 1 0 284.743 2.499 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)o1 ZINC000857252359 644870637 /nfs/dbraw/zinc/87/06/37/644870637.db2.gz FAQMOTUHMUODAK-VIFPVBQESA-N 1 0 292.295 2.170 20 5 CEBDRO Cc1nn(CN2CC[C@@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000758999498 644975603 /nfs/dbraw/zinc/97/56/03/644975603.db2.gz JQYJHOTVJTXFCE-SNVBAGLBSA-N 1 0 266.345 2.425 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878031052 650978420 /nfs/dbraw/zinc/97/84/20/650978420.db2.gz OUWBHWHDFKGCKM-SNVBAGLBSA-N 1 0 288.307 2.487 20 5 CEBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000858586987 645212925 /nfs/dbraw/zinc/21/29/25/645212925.db2.gz MITXJCNHLIGHQS-ZWNOBZJWSA-N 1 0 295.339 2.044 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859830110 645622470 /nfs/dbraw/zinc/62/24/70/645622470.db2.gz ZAANSEOVLBZBBZ-KAEXTRBYSA-N 1 0 294.351 2.030 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859829440 645622705 /nfs/dbraw/zinc/62/27/05/645622705.db2.gz QJLRZNUGURCORG-VOAKKNSGSA-N 1 0 294.351 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000863657760 646780973 /nfs/dbraw/zinc/78/09/73/646780973.db2.gz GELGSDSQUYDAGB-MWLCHTKSSA-N 1 0 292.270 2.265 20 5 CEBDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776589252 647076161 /nfs/dbraw/zinc/07/61/61/647076161.db2.gz QMHGOIPTSIGZJJ-ZIAGYGMSSA-N 1 0 296.392 2.456 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000776599200 647077863 /nfs/dbraw/zinc/07/78/63/647077863.db2.gz YBWZTGWZOZBVPH-DZGCQCFKSA-N 1 0 276.336 2.360 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000778093231 647199378 /nfs/dbraw/zinc/19/93/78/647199378.db2.gz VGHDBBVWPNMMFO-AWEZNQCLSA-N 1 0 294.282 2.324 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)c(F)c1 ZINC000865937517 647544359 /nfs/dbraw/zinc/54/43/59/647544359.db2.gz UKJSIALSZHEZDU-UHFFFAOYSA-N 1 0 265.288 2.018 20 5 CEBDRO C[NH+]1CCC2(CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000866055410 647590267 /nfs/dbraw/zinc/59/02/67/647590267.db2.gz WXBFDZURRWWEGH-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO C[N@@H+]1CC[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000866209883 647674293 /nfs/dbraw/zinc/67/42/93/647674293.db2.gz WYLICZDVAWUQFJ-GXSJLCMTSA-N 1 0 296.758 2.174 20 5 CEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000866264902 647703691 /nfs/dbraw/zinc/70/36/91/647703691.db2.gz UWJAAAVSRSOOCQ-BONVTDFDSA-N 1 0 296.342 2.416 20 5 CEBDRO C[C@H](CCO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269472 647708752 /nfs/dbraw/zinc/70/87/52/647708752.db2.gz VDLHEOHPVQSSGC-ZJUUUORDSA-N 1 0 270.304 2.025 20 5 CEBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866446292 647790987 /nfs/dbraw/zinc/79/09/87/647790987.db2.gz DXSXBWYMOIYIRI-QYTUQVAYSA-N 1 0 279.340 2.394 20 5 CEBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786584889 648030116 /nfs/dbraw/zinc/03/01/16/648030116.db2.gz WHNWOLAXDBTGCV-LLVKDONJSA-N 1 0 278.356 2.321 20 5 CEBDRO C[NH+](C)CCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000789945977 648361128 /nfs/dbraw/zinc/36/11/28/648361128.db2.gz SPHGUJYSXLGJEF-RMKNXTFCSA-N 1 0 278.308 2.103 20 5 CEBDRO C[C@@H]1C[C@@H](N(C)CC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000791053549 648476108 /nfs/dbraw/zinc/47/61/08/648476108.db2.gz TWXGNTGCAIMGGH-ZBFHGGJFSA-N 1 0 291.395 2.248 20 5 CEBDRO CCO[C@@H]1C[C@H]([N@H+](C)CC[N+](=O)[O-])C12CCCCC2 ZINC000791052950 648476465 /nfs/dbraw/zinc/47/64/65/648476465.db2.gz PWNKMPRARSISIG-QWHCGFSZSA-N 1 0 270.373 2.323 20 5 CEBDRO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869101 648938220 /nfs/dbraw/zinc/93/82/20/648938220.db2.gz AJBKWJOXOMSKCQ-GVXVVHGQSA-N 1 0 291.351 2.290 20 5 CEBDRO Cc1c(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000870927810 648955027 /nfs/dbraw/zinc/95/50/27/648955027.db2.gz IGVWTQLRCFPOMO-BJHJDKERSA-N 1 0 291.351 2.037 20 5 CEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)C1 ZINC000872089216 649269669 /nfs/dbraw/zinc/26/96/69/649269669.db2.gz VFHCADLSHVXROP-QXEWZRGKSA-N 1 0 282.365 2.491 20 5 CEBDRO C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872128312 649285989 /nfs/dbraw/zinc/28/59/89/649285989.db2.gz KDHWMTGIGNGTCF-GARJFASQSA-N 1 0 250.298 2.423 20 5 CEBDRO Cc1c(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873057208 649546261 /nfs/dbraw/zinc/54/62/61/649546261.db2.gz PJKVUOUBXSELOJ-ZDUSSCGKSA-N 1 0 291.351 2.002 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000873113220 649559869 /nfs/dbraw/zinc/55/98/69/649559869.db2.gz UVKJMJCKCSHXIV-OLZOCXBDSA-N 1 0 278.352 2.462 20 5 CEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130819 649565141 /nfs/dbraw/zinc/56/51/41/649565141.db2.gz HDJXQRPZWOSFPW-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873297879 649632653 /nfs/dbraw/zinc/63/26/53/649632653.db2.gz FXEZBIXSOLKDCE-OCCSQVGLSA-N 1 0 290.323 2.001 20 5 CEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880136585 651389798 /nfs/dbraw/zinc/38/97/98/651389798.db2.gz OQXVMDMHPXOCAC-CABCVRRESA-N 1 0 293.342 2.402 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298813 651419405 /nfs/dbraw/zinc/41/94/05/651419405.db2.gz KEDSQAPXOJQSEJ-JTQLQIEISA-N 1 0 268.288 2.395 20 5 CEBDRO CC[N@H+](CCNc1ccnc(F)c1[N+](=O)[O-])C(C)C ZINC000881903915 651910555 /nfs/dbraw/zinc/91/05/55/651910555.db2.gz AOPYPNJFRBYKEL-UHFFFAOYSA-N 1 0 270.308 2.271 20 5 CEBDRO CCCC[N@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881977249 651928700 /nfs/dbraw/zinc/92/87/00/651928700.db2.gz SWJHNHQFHONWSK-UHFFFAOYSA-N 1 0 270.308 2.273 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000882005360 651936110 /nfs/dbraw/zinc/93/61/10/651936110.db2.gz KQYWFEWUNFGVQA-LLVKDONJSA-N 1 0 294.330 2.051 20 5 CEBDRO CCC(C)(C)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882545760 652130852 /nfs/dbraw/zinc/13/08/52/652130852.db2.gz OTICVXIMKCTJMS-UHFFFAOYSA-N 1 0 296.346 2.440 20 5 CEBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000883200211 652397894 /nfs/dbraw/zinc/39/78/94/652397894.db2.gz CZZHPCAHJCREGA-HIFRSBDPSA-N 1 0 294.351 2.126 20 5 CEBDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000883355925 652440297 /nfs/dbraw/zinc/44/02/97/652440297.db2.gz AHLAPMYZKABKFT-QWRGUYRKSA-N 1 0 281.331 2.479 20 5 CEBDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000884306777 652789233 /nfs/dbraw/zinc/78/92/33/652789233.db2.gz OCCMEGVEXSGMIY-NSHDSACASA-N 1 0 295.339 2.176 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884361032 652813590 /nfs/dbraw/zinc/81/35/90/652813590.db2.gz KPMKHIKOAZSZKU-QWHCGFSZSA-N 1 0 291.351 2.067 20 5 CEBDRO CCC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000134415223 652837896 /nfs/dbraw/zinc/83/78/96/652837896.db2.gz OIBKNKBKQUIQMZ-LBPRGKRZSA-N 1 0 252.314 2.154 20 5 CEBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000215983992 652963702 /nfs/dbraw/zinc/96/37/02/652963702.db2.gz ORYYRIUGRXQLLL-TZMCWYRMSA-N 1 0 294.351 2.175 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408067845 719153858 /nfs/dbraw/zinc/15/38/58/719153858.db2.gz PIKFZQZMMHWWNW-RKDXNWHRSA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001164640142 719184058 /nfs/dbraw/zinc/18/40/58/719184058.db2.gz UTRZOMCMHMWUJW-DTWKUNHWSA-N 1 0 284.747 2.172 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001165038996 721893839 /nfs/dbraw/zinc/89/38/39/721893839.db2.gz LDLJHAZMHSCFBQ-JTQLQIEISA-N 1 0 289.339 2.002 20 5 CEBDRO C[NH+](C)CC1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001165042243 721944354 /nfs/dbraw/zinc/94/43/54/721944354.db2.gz QZNTZULOFSADBJ-UHFFFAOYSA-N 1 0 298.774 2.421 20 5 CEBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001227185805 805877961 /nfs/dbraw/zinc/87/79/61/805877961.db2.gz ZCOHGEHIAZNTNY-NSHDSACASA-N 1 0 266.297 2.076 20 5 CEBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000723039902 802789331 /nfs/dbraw/zinc/78/93/31/802789331.db2.gz YFPSTXJXJGPLQS-ZDUSSCGKSA-N 1 0 268.288 2.081 20 5 CEBDRO COc1cc(-n2cccc2C[NH3+])cc([N+](=O)[O-])c1C ZINC001167592948 803173222 /nfs/dbraw/zinc/17/32/22/803173222.db2.gz FVXCGAPSTGLANK-UHFFFAOYSA-N 1 0 261.281 2.161 20 5 CEBDRO [NH3+]CCc1ccn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])n1 ZINC001167731462 803695475 /nfs/dbraw/zinc/69/54/75/803695475.db2.gz HQIRCBWGYODCKX-XBXARRHUSA-N 1 0 292.726 2.274 20 5 CEBDRO CO[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244506 815078125 /nfs/dbraw/zinc/07/81/25/815078125.db2.gz HIABZLCBEIYVMS-ONGXEEELSA-N 1 0 291.307 2.393 20 5 CEBDRO NC(=[NH2+])c1nccn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001168415724 807249513 /nfs/dbraw/zinc/24/95/13/807249513.db2.gz LOLUSJSKDDJXBX-UHFFFAOYSA-N 1 0 299.212 2.083 20 5 CEBDRO [NH3+]Cc1nccnc1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001171447694 815128751 /nfs/dbraw/zinc/12/87/51/815128751.db2.gz LHXHSCLWXUSUMP-UHFFFAOYSA-N 1 0 296.290 2.135 20 5 CEBDRO CC(=O)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153304185 807702225 /nfs/dbraw/zinc/70/22/25/807702225.db2.gz FYLFOCUWLXJDCI-UHFFFAOYSA-N 1 0 278.308 2.122 20 5 CEBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000716906986 815158876 /nfs/dbraw/zinc/15/88/76/815158876.db2.gz FMOJVJOGSGAISA-JQWIXIFHSA-N 1 0 252.314 2.234 20 5 CEBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001168593412 808688407 /nfs/dbraw/zinc/68/84/07/808688407.db2.gz NFZISITXOMOGAY-IUCAKERBSA-N 1 0 299.762 2.323 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168593971 808690256 /nfs/dbraw/zinc/69/02/56/808690256.db2.gz YOXAHGGYLYFCPN-RYUDHWBXSA-N 1 0 294.355 2.283 20 5 CEBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CO ZINC000700415269 809309491 /nfs/dbraw/zinc/30/94/91/809309491.db2.gz NBAAQBIRIPHYDW-PWSUYJOCSA-N 1 0 282.315 2.184 20 5 CEBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702053972 809490291 /nfs/dbraw/zinc/49/02/91/809490291.db2.gz BMLQFXWOXPXDJW-LLVKDONJSA-N 1 0 299.758 2.351 20 5 CEBDRO [NH3+]CC1(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000702048316 809490400 /nfs/dbraw/zinc/49/04/00/809490400.db2.gz GPOYLOXSSJVENK-UHFFFAOYSA-N 1 0 297.742 2.107 20 5 CEBDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063123 809491514 /nfs/dbraw/zinc/49/15/14/809491514.db2.gz KKVTZVMRYSOTSZ-UHFFFAOYSA-N 1 0 297.742 2.072 20 5 CEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702061937 809491810 /nfs/dbraw/zinc/49/18/10/809491810.db2.gz GARJBGIUMQPKGY-IUCAKERBSA-N 1 0 297.742 2.058 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000702061343 809491881 /nfs/dbraw/zinc/49/18/81/809491881.db2.gz CEMBVEQTSLRCBS-SNVBAGLBSA-N 1 0 297.742 2.072 20 5 CEBDRO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ncc1[N+](=O)[O-] ZINC001121008576 815305098 /nfs/dbraw/zinc/30/50/98/815305098.db2.gz NTTSJRWYOHEMBE-IJLUTSLNSA-N 1 0 276.340 2.050 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703608690 809670916 /nfs/dbraw/zinc/67/09/16/809670916.db2.gz XXKAUGZZPSGNQI-TYNCELHUSA-N 1 0 275.352 2.197 20 5 CEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706500624 809827516 /nfs/dbraw/zinc/82/75/16/809827516.db2.gz PTPYBRLQEQKBDP-SNVBAGLBSA-N 1 0 297.742 2.120 20 5 CEBDRO COC1(OC)CC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000710969220 810008713 /nfs/dbraw/zinc/00/87/13/810008713.db2.gz WOATXAFJMQSKOR-GXFFZTMASA-N 1 0 280.324 2.397 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001154974973 810867403 /nfs/dbraw/zinc/86/74/03/810867403.db2.gz GMECUJRFMKUGSC-JGVFFNPUSA-N 1 0 270.720 2.325 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001154979578 810873489 /nfs/dbraw/zinc/87/34/89/810873489.db2.gz ZQAZSXKRLSDPDT-YUMQZZPRSA-N 1 0 270.720 2.325 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122511434 815420222 /nfs/dbraw/zinc/42/02/22/815420222.db2.gz PPFIQIVKMIEAGQ-STQMWFEESA-N 1 0 277.324 2.230 20 5 CEBDRO [NH3+]Cc1cccc2c1cnn2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976762 811305187 /nfs/dbraw/zinc/30/51/87/811305187.db2.gz GHGHSZUIYRRDCL-CMPLNLGQSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccccn2)C1 ZINC001168977432 811306527 /nfs/dbraw/zinc/30/65/27/811306527.db2.gz JSGOSEVQUYTOFF-UKRRQHHQSA-N 1 0 277.368 2.439 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC001168978419 811307529 /nfs/dbraw/zinc/30/75/29/811307529.db2.gz RXMDLICUQDRKKH-RTXFEEFZSA-N 1 0 261.325 2.104 20 5 CEBDRO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168978270 811307563 /nfs/dbraw/zinc/30/75/63/811307563.db2.gz QNZICKWXRCCLDU-KGLIPLIRSA-N 1 0 278.352 2.273 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)C1 ZINC001168978865 811307759 /nfs/dbraw/zinc/30/77/59/811307759.db2.gz UZFJVVOSJTUKEZ-SWHYSGLUSA-N 1 0 298.770 2.408 20 5 CEBDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978621 811308276 /nfs/dbraw/zinc/30/82/76/811308276.db2.gz TUWLEWOKNBWMBQ-KKUMJFAQSA-N 1 0 283.416 2.142 20 5 CEBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981228 811310206 /nfs/dbraw/zinc/31/02/06/811310206.db2.gz GVWPCQFHGWROLJ-OAGGEKHMSA-N 1 0 292.379 2.279 20 5 CEBDRO COc1ccc(OC)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168958315 811312591 /nfs/dbraw/zinc/31/25/91/811312591.db2.gz MPXBZYSXTTWCQT-WCQYABFASA-N 1 0 294.351 2.239 20 5 CEBDRO CC(C)N(CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956539 811312713 /nfs/dbraw/zinc/31/27/13/811312713.db2.gz BMRUXEXKDFWRRM-ZIAGYGMSSA-N 1 0 271.405 2.140 20 5 CEBDRO COc1ccc(OC)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168958317 811313110 /nfs/dbraw/zinc/31/31/10/811313110.db2.gz MPXBZYSXTTWCQT-YPMHNXCESA-N 1 0 294.351 2.239 20 5 CEBDRO [NH3+]Cc1ccc2nn([C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2c1 ZINC001168967919 811319839 /nfs/dbraw/zinc/31/98/39/811319839.db2.gz UQMUIJQTHSMEJV-AAEUAGOBSA-N 1 0 274.324 2.113 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CCO)c2ccc(F)cc2)C1 ZINC001168968844 811319931 /nfs/dbraw/zinc/31/99/31/811319931.db2.gz AOOGZZTXXPPYID-UGFHNGPFSA-N 1 0 296.342 2.284 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)cc1 ZINC001168969252 811320569 /nfs/dbraw/zinc/32/05/69/811320569.db2.gz CONKUOFLAJRVBO-DMDPSCGWSA-N 1 0 264.325 2.488 20 5 CEBDRO [NH3+]CCc1cccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168997117 811325730 /nfs/dbraw/zinc/32/57/30/811325730.db2.gz XUMONQVLGZKUEM-OCCSQVGLSA-N 1 0 263.341 2.045 20 5 CEBDRO CCOC1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999734 811327171 /nfs/dbraw/zinc/32/71/71/811327171.db2.gz UUBLYGCHIRYFQW-NELGMTEASA-N 1 0 270.373 2.369 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)C1 ZINC001169001141 811329166 /nfs/dbraw/zinc/32/91/66/811329166.db2.gz CTVGOIGKQNBZJE-ONERCXAPSA-N 1 0 278.327 2.328 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cnccc32)C1 ZINC001169004456 811330509 /nfs/dbraw/zinc/33/05/09/811330509.db2.gz QYDGZWKRUHUPMJ-ZLDLUXBVSA-N 1 0 275.352 2.494 20 5 CEBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)no1 ZINC001169013630 811334200 /nfs/dbraw/zinc/33/42/00/811334200.db2.gz VUSJYKOMBHXDIN-UPJWGTAASA-N 1 0 294.355 2.003 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ncccc32)C1 ZINC001168986863 811336229 /nfs/dbraw/zinc/33/62/29/811336229.db2.gz FOGKOHKAKOCIIL-JTNHKYCSSA-N 1 0 261.325 2.104 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2COCc3ccccc32)C1 ZINC001168987780 811338247 /nfs/dbraw/zinc/33/82/47/811338247.db2.gz KGHAACGLZUHFHJ-ZLDLUXBVSA-N 1 0 276.336 2.293 20 5 CEBDRO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1 ZINC001168988939 811338372 /nfs/dbraw/zinc/33/83/72/811338372.db2.gz VDNVHZSEFFZJEY-DGCLKSJQSA-N 1 0 296.342 2.412 20 5 CEBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC001168988865 811338512 /nfs/dbraw/zinc/33/85/12/811338512.db2.gz UGNYAYSNCINADQ-STQMWFEESA-N 1 0 270.373 2.371 20 5 CEBDRO COc1cccc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035172 811347141 /nfs/dbraw/zinc/34/71/41/811347141.db2.gz BAKIORZPHKVFFU-YPMHNXCESA-N 1 0 276.336 2.456 20 5 CEBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039167 811348552 /nfs/dbraw/zinc/34/85/52/811348552.db2.gz NWYOTPMTSBMAKX-GZBFAFLISA-N 1 0 298.383 2.097 20 5 CEBDRO Cc1cc2c(cn1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039113 811348895 /nfs/dbraw/zinc/34/88/95/811348895.db2.gz NENJDOOQXJHDGR-BXUZGUMPSA-N 1 0 261.325 2.151 20 5 CEBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](F)CO3)CC2)C1 ZINC001169039964 811349065 /nfs/dbraw/zinc/34/90/65/811349065.db2.gz WKSKPPUBXKSVOM-JHJVBQTASA-N 1 0 286.347 2.025 20 5 CEBDRO Cc1noc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169039222 811349476 /nfs/dbraw/zinc/34/94/76/811349476.db2.gz OGGWSHFXRNFDQJ-WCQYABFASA-N 1 0 294.355 2.003 20 5 CEBDRO CC(C)OC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023892 811354870 /nfs/dbraw/zinc/35/48/70/811354870.db2.gz GGUGMMKIJLXHRN-STQMWFEESA-N 1 0 270.373 2.321 20 5 CEBDRO Cc1ncccc1C[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046886 811357241 /nfs/dbraw/zinc/35/72/41/811357241.db2.gz ODAQHTYXUFFYOF-JSGCOSHPSA-N 1 0 263.341 2.267 20 5 CEBDRO [NH3+]Cc1cnnn1-c1nc2ccccc2c2ccccc21 ZINC001169311663 811484780 /nfs/dbraw/zinc/48/47/80/811484780.db2.gz PJYDIZAPLGWAFL-UHFFFAOYSA-N 1 0 275.315 2.427 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NC(C)(C)CC[NH+](C)C ZINC001169712115 811638671 /nfs/dbraw/zinc/63/86/71/811638671.db2.gz YRGMRXLVQNOUGB-UHFFFAOYSA-N 1 0 282.344 2.141 20 5 CEBDRO CCOc1cc([N+](=O)[O-])ccc1N(C)C(C)(C)C[NH3+] ZINC001170059449 812015017 /nfs/dbraw/zinc/01/50/17/812015017.db2.gz VHPLGCXQXGVKBM-UHFFFAOYSA-N 1 0 267.329 2.167 20 5 CEBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000689239432 812144550 /nfs/dbraw/zinc/14/45/50/812144550.db2.gz MKQNWIRLFRVYPU-SNVBAGLBSA-N 1 0 274.324 2.488 20 5 CEBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298611 812376773 /nfs/dbraw/zinc/37/67/73/812376773.db2.gz MZTYDEDZZIAKAT-JTNHKYCSSA-N 1 0 294.351 2.301 20 5 CEBDRO CC(C)(CCC(=O)OC[C@@H]1CCC[N@@H+]1CC1CC1)[N+](=O)[O-] ZINC001123474171 815521804 /nfs/dbraw/zinc/52/18/04/815521804.db2.gz XHMURAKJAOIRFS-ZDUSSCGKSA-N 1 0 298.383 2.240 20 5 CEBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336190 812389928 /nfs/dbraw/zinc/38/99/28/812389928.db2.gz VQXRJHQXKLOGGX-BXUZGUMPSA-N 1 0 294.351 2.255 20 5 CEBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336191 812391073 /nfs/dbraw/zinc/39/10/73/812391073.db2.gz VQXRJHQXKLOGGX-FZMZJTMJSA-N 1 0 294.351 2.255 20 5 CEBDRO COC[C@@H]1CC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355376 812392696 /nfs/dbraw/zinc/39/26/96/812392696.db2.gz BXERBOBEHWDKCM-AAEUAGOBSA-N 1 0 294.351 2.255 20 5 CEBDRO [NH3+]Cc1cn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897021 815538558 /nfs/dbraw/zinc/53/85/58/815538558.db2.gz WMYGWUMTSRHCLS-AWEZNQCLSA-N 1 0 286.335 2.370 20 5 CEBDRO NC[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902452 815540615 /nfs/dbraw/zinc/54/06/15/815540615.db2.gz YOSXHOMIERBWAX-ZBFHGGJFSA-N 1 0 289.379 2.265 20 5 CEBDRO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001172907070 815541085 /nfs/dbraw/zinc/54/10/85/815541085.db2.gz CMGIQTXCMCVHDY-SGIREYDYSA-N 1 0 290.363 2.155 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(O)CCC1)CC2 ZINC001172913740 815543531 /nfs/dbraw/zinc/54/35/31/815543531.db2.gz YYGDWLVYGHCMJZ-CQSZACIVSA-N 1 0 290.363 2.347 20 5 CEBDRO CCC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133163803 813003305 /nfs/dbraw/zinc/00/33/05/813003305.db2.gz BDZWQQKYRKACPV-UHFFFAOYSA-N 1 0 293.367 2.237 20 5 CEBDRO CC[N@H+](CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1)C1CC1 ZINC001124092586 815596384 /nfs/dbraw/zinc/59/63/84/815596384.db2.gz QNJYYNDNNAAJQD-UHFFFAOYSA-N 1 0 277.324 2.326 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001124126850 815601003 /nfs/dbraw/zinc/60/10/03/815601003.db2.gz UMKUKJSDUISAEN-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO COc1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)cc1F ZINC001171333018 814583588 /nfs/dbraw/zinc/58/35/88/814583588.db2.gz BWRBMVHRCPCWPJ-VIFPVBQESA-N 1 0 283.303 2.297 20 5 CEBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000696033185 814641753 /nfs/dbraw/zinc/64/17/53/814641753.db2.gz JEBUPUFMMLFIIQ-SECBINFHSA-N 1 0 284.743 2.499 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000696033186 814642399 /nfs/dbraw/zinc/64/23/99/814642399.db2.gz JEBUPUFMMLFIIQ-VIFPVBQESA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc(CN(CC[NH3+])CC(F)(F)F)cc1[N+](=O)[O-] ZINC000713351071 814849985 /nfs/dbraw/zinc/84/99/85/814849985.db2.gz IQAXYISOAPNYMI-UHFFFAOYSA-N 1 0 291.273 2.226 20 5 CEBDRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000714028691 814882706 /nfs/dbraw/zinc/88/27/06/814882706.db2.gz HSZTZVVOATXZPP-LLVKDONJSA-N 1 0 266.341 2.494 20 5 CEBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC001116929124 814892597 /nfs/dbraw/zinc/89/25/97/814892597.db2.gz XUYHSPVBVJVOHY-UHFFFAOYSA-N 1 0 284.385 2.362 20 5 CEBDRO [NH3+]CCCN(Cc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000714336932 814895596 /nfs/dbraw/zinc/89/55/96/814895596.db2.gz GFVSZKSTARMYON-UHFFFAOYSA-N 1 0 291.273 2.308 20 5 CEBDRO C[C@@H]([NH2+]CCOC1CC1)c1ccccc1[N+](=O)[O-] ZINC000714983409 814919979 /nfs/dbraw/zinc/91/99/79/814919979.db2.gz XTGBEAFHXZIYIA-SNVBAGLBSA-N 1 0 250.298 2.424 20 5 CEBDRO CC/C=C(/C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124344645 815611816 /nfs/dbraw/zinc/61/18/16/815611816.db2.gz OAGHJWNFNNOGHP-QCDXTXTGSA-N 1 0 291.351 2.157 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnn1C ZINC001173217224 815623731 /nfs/dbraw/zinc/62/37/31/815623731.db2.gz QXGKIXPCBZKIEV-LLVKDONJSA-N 1 0 274.324 2.049 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnoc1 ZINC001173217786 815624935 /nfs/dbraw/zinc/62/49/35/815624935.db2.gz MCUHUTYCSSZDHT-SNVBAGLBSA-N 1 0 261.281 2.304 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CCC1 ZINC001173220347 815625944 /nfs/dbraw/zinc/62/59/44/815625944.db2.gz YPGKSTZOWJJNKK-LLVKDONJSA-N 1 0 264.325 2.030 20 5 CEBDRO CCC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220211 815626107 /nfs/dbraw/zinc/62/61/07/815626107.db2.gz VZLFTYPRAOALBM-JTQLQIEISA-N 1 0 250.298 2.095 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001173220724 815626267 /nfs/dbraw/zinc/62/62/67/815626267.db2.gz BXMLUBZNBXVQSY-BYCMXARLSA-N 1 0 296.342 2.321 20 5 CEBDRO COCCOCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222285 815628214 /nfs/dbraw/zinc/62/82/14/815628214.db2.gz WAAWDLXTFJNJRH-CYBMUJFWSA-N 1 0 296.367 2.169 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC001173225100 815630084 /nfs/dbraw/zinc/63/00/84/815630084.db2.gz BLKHJZNRHVHVNE-CYBMUJFWSA-N 1 0 289.379 2.306 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ncncc2C1 ZINC001173227010 815630659 /nfs/dbraw/zinc/63/06/59/815630659.db2.gz MBXIFRFOBKZRHI-GFCCVEGCSA-N 1 0 298.346 2.374 20 5 CEBDRO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173233550 815633217 /nfs/dbraw/zinc/63/32/17/815633217.db2.gz JOEMCYNQEQUMFI-FZMZJTMJSA-N 1 0 293.367 2.015 20 5 CEBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]1O ZINC001173211267 815635193 /nfs/dbraw/zinc/63/51/93/815635193.db2.gz RFBRLYNSGMZJGS-LERXQTSPSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001173211589 815635837 /nfs/dbraw/zinc/63/58/37/815635837.db2.gz TUDKQVJMIJFPBG-VHRBIJSZSA-N 1 0 264.325 2.029 20 5 CEBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2c(c1)OCO2 ZINC001206265038 816371928 /nfs/dbraw/zinc/37/19/28/816371928.db2.gz JCAPABSJQMPUEB-NSHDSACASA-N 1 0 252.334 2.027 20 5 CEBDRO COc1cc(NCCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000227857609 816505434 /nfs/dbraw/zinc/50/54/34/816505434.db2.gz TXPUMFUKAHOBNE-UHFFFAOYSA-N 1 0 271.292 2.106 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnn(C)c1 ZINC000449086069 282094469 /nfs/dbraw/zinc/09/44/69/282094469.db2.gz QEWOMSMLTJXRFF-LBPRGKRZSA-N 1 0 288.351 2.092 20 5 CEBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294959215 199270461 /nfs/dbraw/zinc/27/04/61/199270461.db2.gz DQNVOAXPRYQPLL-VXNVDRBHSA-N 1 0 280.296 2.151 20 5 CEBDRO CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000294961098 199272173 /nfs/dbraw/zinc/27/21/73/199272173.db2.gz FVOKOCKNHVKUAN-NWDGAFQWSA-N 1 0 293.367 2.469 20 5 CEBDRO CC[C@@H](CCO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159735 282125202 /nfs/dbraw/zinc/12/52/02/282125202.db2.gz ILLKAASTALMNQB-YPMHNXCESA-N 1 0 266.341 2.276 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335619 346824747 /nfs/dbraw/zinc/82/47/47/346824747.db2.gz WKWFIAYNUHWBFZ-ZFWWWQNUSA-N 1 0 275.352 2.169 20 5 CEBDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977019 361877753 /nfs/dbraw/zinc/87/77/53/361877753.db2.gz OZNVGSLOEDOTOY-KBPBESRZSA-N 1 0 291.351 2.304 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037621362 361914002 /nfs/dbraw/zinc/91/40/02/361914002.db2.gz CMNIGMWXYDIWBK-ZDUSSCGKSA-N 1 0 265.313 2.359 20 5 CEBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649089 361917432 /nfs/dbraw/zinc/91/74/32/361917432.db2.gz YTDQEVQQRQRHGK-LBPRGKRZSA-N 1 0 275.352 2.169 20 5 CEBDRO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766568 361933060 /nfs/dbraw/zinc/93/30/60/361933060.db2.gz JALXYDDMDIHGNN-YGRLFVJLSA-N 1 0 279.340 2.290 20 5 CEBDRO Cc1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125485546 187187164 /nfs/dbraw/zinc/18/71/64/187187164.db2.gz OFWWTEUBXXJTDX-CQSZACIVSA-N 1 0 277.368 2.287 20 5 CEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000037977429 361969271 /nfs/dbraw/zinc/96/92/71/361969271.db2.gz NSJBXEUSRSZFFB-UHFFFAOYSA-N 1 0 291.311 2.027 20 5 CEBDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000037989252 361972452 /nfs/dbraw/zinc/97/24/52/361972452.db2.gz QGJJHBGMOBLIMO-UHFFFAOYSA-N 1 0 260.297 2.225 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CC1 ZINC000449299940 282178321 /nfs/dbraw/zinc/17/83/21/282178321.db2.gz BRIXZXBAVDBYED-YBTHPKLGSA-N 1 0 296.392 2.027 20 5 CEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000177549246 282190749 /nfs/dbraw/zinc/19/07/49/282190749.db2.gz SNJVSJXEKYFGJM-VXGBXAGGSA-N 1 0 291.351 2.197 20 5 CEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000041925779 362052541 /nfs/dbraw/zinc/05/25/41/362052541.db2.gz CQBYYRIIUMSORA-SECBINFHSA-N 1 0 299.396 2.425 20 5 CEBDRO CC[NH+](CC)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042567389 362103995 /nfs/dbraw/zinc/10/39/95/362103995.db2.gz GBBYYAKXYBHULN-UHFFFAOYSA-N 1 0 285.369 2.118 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1[N+](=O)[O-] ZINC000126524793 187245461 /nfs/dbraw/zinc/24/54/61/187245461.db2.gz DTZHBSRLRJOFPV-GFCCVEGCSA-N 1 0 289.339 2.236 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042813515 362120968 /nfs/dbraw/zinc/12/09/68/362120968.db2.gz WZLYSFFMKIXNBT-ZDUSSCGKSA-N 1 0 250.298 2.254 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+](C)C ZINC000008336976 343362189 /nfs/dbraw/zinc/36/21/89/343362189.db2.gz NJJKJXZZAFCZCF-SECBINFHSA-N 1 0 295.368 2.105 20 5 CEBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000024205122 343383098 /nfs/dbraw/zinc/38/30/98/343383098.db2.gz UGCLPEUKNYYNOU-LLVKDONJSA-N 1 0 283.376 2.107 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493572 282257326 /nfs/dbraw/zinc/25/73/26/282257326.db2.gz FDINYSBHTRBAGD-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO CCCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000026450646 343390232 /nfs/dbraw/zinc/39/02/32/343390232.db2.gz JXDCYTHEDDKCCG-UHFFFAOYSA-N 1 0 291.351 2.458 20 5 CEBDRO CCN1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677644 343422772 /nfs/dbraw/zinc/42/27/72/343422772.db2.gz KUKCCAXWDBXHTC-OAHLLOKOSA-N 1 0 277.368 2.211 20 5 CEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000047701566 362222465 /nfs/dbraw/zinc/22/24/65/362222465.db2.gz SQWOBSLYSMGTDN-NSHDSACASA-N 1 0 250.298 2.063 20 5 CEBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000042766556 343455673 /nfs/dbraw/zinc/45/56/73/343455673.db2.gz ZDBFKJKULDTJSB-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046955690 343508103 /nfs/dbraw/zinc/50/81/03/343508103.db2.gz GVXNOCUTEJWLMY-NSHDSACASA-N 1 0 292.339 2.058 20 5 CEBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000047634707 343519881 /nfs/dbraw/zinc/51/98/81/343519881.db2.gz BJWHGSRIKPNKQS-UHFFFAOYSA-N 1 0 295.339 2.038 20 5 CEBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000047687334 343521099 /nfs/dbraw/zinc/52/10/99/343521099.db2.gz LQRPSJIJQZGRFX-ZDUSSCGKSA-N 1 0 264.325 2.453 20 5 CEBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000052072840 343556057 /nfs/dbraw/zinc/55/60/57/343556057.db2.gz KNCKXCPAEYWFQF-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N(C)C ZINC000449555096 282281552 /nfs/dbraw/zinc/28/15/52/282281552.db2.gz FPDJCLMBXQVENW-STQMWFEESA-N 1 0 279.384 2.456 20 5 CEBDRO C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CC[NH2+]1 ZINC000601980082 346948458 /nfs/dbraw/zinc/94/84/58/346948458.db2.gz DEVYXFVILWISNE-ZJUUUORDSA-N 1 0 287.323 2.090 20 5 CEBDRO Cc1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301055846 136421132 /nfs/dbraw/zinc/42/11/32/136421132.db2.gz ANLOOZAHECKRIU-UHFFFAOYSA-N 1 0 275.352 2.435 20 5 CEBDRO C[C@H](CCCCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295071409 199330268 /nfs/dbraw/zinc/33/02/68/199330268.db2.gz PFRICJVJFNMFAE-SECBINFHSA-N 1 0 258.343 2.297 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449589035 282294584 /nfs/dbraw/zinc/29/45/84/282294584.db2.gz RQLKKPIUWJEYCT-GFCCVEGCSA-N 1 0 288.351 2.358 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(N)=O)CC1 ZINC000075638809 343860435 /nfs/dbraw/zinc/86/04/35/343860435.db2.gz IGDXTQRCDWCMLP-LLVKDONJSA-N 1 0 291.351 2.243 20 5 CEBDRO COc1ccc(C[NH2+]C[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000128131194 187353563 /nfs/dbraw/zinc/35/35/63/187353563.db2.gz DIHLHCNXXMXAMR-SECBINFHSA-N 1 0 270.354 2.445 20 5 CEBDRO Cc1c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000449639360 282314826 /nfs/dbraw/zinc/31/48/26/282314826.db2.gz OPBWOERALCDTEQ-RYUDHWBXSA-N 1 0 291.351 2.151 20 5 CEBDRO Cc1cnc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000078628346 343959015 /nfs/dbraw/zinc/95/90/15/343959015.db2.gz MOZAGZRFXUDXAZ-UHFFFAOYSA-N 1 0 276.340 2.337 20 5 CEBDRO [NH3+]C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000602420824 347026698 /nfs/dbraw/zinc/02/66/98/347026698.db2.gz IJBSNKVFJHCORV-UHFFFAOYSA-N 1 0 295.314 2.125 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090146230 344137936 /nfs/dbraw/zinc/13/79/36/344137936.db2.gz UNGAGPCZHZXERH-HUUCEWRRSA-N 1 0 291.351 2.260 20 5 CEBDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413667 344139566 /nfs/dbraw/zinc/13/95/66/344139566.db2.gz SYTZYXCQTGBMFK-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO CC[C@@H](COC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910050 344146339 /nfs/dbraw/zinc/14/63/39/344146339.db2.gz WNVIZXURCRPEJA-LBPRGKRZSA-N 1 0 252.314 2.152 20 5 CEBDRO Cc1cc(Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000092627993 344197217 /nfs/dbraw/zinc/19/72/17/344197217.db2.gz FITHKSUFKZAQQK-UHFFFAOYSA-N 1 0 289.339 2.405 20 5 CEBDRO C[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602468946 347044651 /nfs/dbraw/zinc/04/46/51/347044651.db2.gz OYDBVQNBEDETIC-SNVBAGLBSA-N 1 0 252.318 2.093 20 5 CEBDRO Cc1ccc(C[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000124302903 344313588 /nfs/dbraw/zinc/31/35/88/344313588.db2.gz ZRQQHYFASLAWFX-UHFFFAOYSA-N 1 0 252.314 2.011 20 5 CEBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000128448367 344336876 /nfs/dbraw/zinc/33/68/76/344336876.db2.gz VEIDERGUZLOLQW-NEPJUHHUSA-N 1 0 284.743 2.497 20 5 CEBDRO CCC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602473639 347047701 /nfs/dbraw/zinc/04/77/01/347047701.db2.gz BSTOLHJOKRQJPR-LLVKDONJSA-N 1 0 266.345 2.340 20 5 CEBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381026 344306013 /nfs/dbraw/zinc/30/60/13/344306013.db2.gz TVOITARIADJRMT-OCCSQVGLSA-N 1 0 263.341 2.154 20 5 CEBDRO CCOc1cc(OCC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122512563 344306487 /nfs/dbraw/zinc/30/64/87/344306487.db2.gz FRLIVXVKILDPKG-NSHDSACASA-N 1 0 280.324 2.372 20 5 CEBDRO CCOc1cc(OCC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122512687 344306590 /nfs/dbraw/zinc/30/65/90/344306590.db2.gz FRLIVXVKILDPKG-LLVKDONJSA-N 1 0 280.324 2.372 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000122624489 344306959 /nfs/dbraw/zinc/30/69/59/344306959.db2.gz PPAZUQMLVYZEKJ-SMDDNHRTSA-N 1 0 291.351 2.103 20 5 CEBDRO CC[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000122571077 344307059 /nfs/dbraw/zinc/30/70/59/344307059.db2.gz YBWSBCPBVGBNTA-WCQYABFASA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122534798 344307098 /nfs/dbraw/zinc/30/70/98/344307098.db2.gz AIGOUAKRKDOCFZ-NSHDSACASA-N 1 0 250.298 2.282 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000123439705 344310343 /nfs/dbraw/zinc/31/03/43/344310343.db2.gz XPELYAZSJPDFOY-UHFFFAOYSA-N 1 0 280.328 2.010 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCO ZINC000151948918 344423754 /nfs/dbraw/zinc/42/37/54/344423754.db2.gz VRCJDTXQFYHRQR-QWRGUYRKSA-N 1 0 252.314 2.325 20 5 CEBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475332 347050151 /nfs/dbraw/zinc/05/01/51/347050151.db2.gz UCRCZQXGESTKQS-LBPRGKRZSA-N 1 0 266.345 2.483 20 5 CEBDRO CCCNC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963817 362388738 /nfs/dbraw/zinc/38/87/38/362388738.db2.gz BIZKEQGGPNEAGS-UHFFFAOYSA-N 1 0 299.758 2.254 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000160971132 344462472 /nfs/dbraw/zinc/46/24/72/344462472.db2.gz CSKFJZCYBROJLL-BDAKNGLRSA-N 1 0 297.742 2.248 20 5 CEBDRO CC[C@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229938636 344569818 /nfs/dbraw/zinc/56/98/18/344569818.db2.gz JILBGUVLJFVKHR-JTQLQIEISA-N 1 0 295.730 2.298 20 5 CEBDRO CC(C)(C)NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000052044426 362462181 /nfs/dbraw/zinc/46/21/81/362462181.db2.gz JSYRGNVHOXXPBW-UHFFFAOYSA-N 1 0 250.302 2.007 20 5 CEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000265836603 344659979 /nfs/dbraw/zinc/65/99/79/344659979.db2.gz NKRHFJDYVTYNOS-ZDUSSCGKSA-N 1 0 294.351 2.068 20 5 CEBDRO C[C@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]1 ZINC000310684745 344730808 /nfs/dbraw/zinc/73/08/08/344730808.db2.gz LGNZTHFCJPHUSB-YUMQZZPRSA-N 1 0 270.720 2.196 20 5 CEBDRO CC(C)[N@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000310778199 344731649 /nfs/dbraw/zinc/73/16/49/344731649.db2.gz WPVPGXLUPQHDRF-UHFFFAOYSA-N 1 0 272.736 2.395 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCC2CCOCC2)cc1 ZINC000313717844 344743289 /nfs/dbraw/zinc/74/32/89/344743289.db2.gz BNQKTNMUMWVJER-UHFFFAOYSA-N 1 0 294.351 2.380 20 5 CEBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292123867 344686404 /nfs/dbraw/zinc/68/64/04/344686404.db2.gz IFVBEELKOAASFZ-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1cnc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000273207020 192075181 /nfs/dbraw/zinc/07/51/81/192075181.db2.gz GCNUAVQPKXTDLI-GFCCVEGCSA-N 1 0 292.383 2.465 20 5 CEBDRO CCN(CC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000305920395 344711210 /nfs/dbraw/zinc/71/12/10/344711210.db2.gz BNPHLRKSWOPKSS-UHFFFAOYSA-N 1 0 257.721 2.029 20 5 CEBDRO C[C@H]1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602554726 347074858 /nfs/dbraw/zinc/07/48/58/347074858.db2.gz OHKXBULZPMPMOV-KWQFWETISA-N 1 0 297.742 2.119 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401174993 344867403 /nfs/dbraw/zinc/86/74/03/344867403.db2.gz WIZKNEJNJFKSMD-UHFFFAOYSA-N 1 0 270.308 2.129 20 5 CEBDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000584836347 344992034 /nfs/dbraw/zinc/99/20/34/344992034.db2.gz JJWDEDXXEPIHOM-UKRRQHHQSA-N 1 0 291.351 2.119 20 5 CEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590010515 345109952 /nfs/dbraw/zinc/10/99/52/345109952.db2.gz MPWTWWCMUTXPEB-FZMZJTMJSA-N 1 0 295.770 2.384 20 5 CEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000590798872 345182176 /nfs/dbraw/zinc/18/21/76/345182176.db2.gz GLOAACCFLZFLMP-GFCCVEGCSA-N 1 0 292.339 2.153 20 5 CEBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590402644 345133463 /nfs/dbraw/zinc/13/34/63/345133463.db2.gz GBBDSKXJBZWWHY-DGCLKSJQSA-N 1 0 291.351 2.068 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590568676 345145975 /nfs/dbraw/zinc/14/59/75/345145975.db2.gz JDXRTJWUZJJWDE-KWQFWETISA-N 1 0 284.747 2.172 20 5 CEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000590568672 345146056 /nfs/dbraw/zinc/14/60/56/345146056.db2.gz JDXRTJWUZJJWDE-GZMMTYOYSA-N 1 0 284.747 2.172 20 5 CEBDRO O=[N+]([O-])c1cccc(Cl)c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439431 345254672 /nfs/dbraw/zinc/25/46/72/345254672.db2.gz UTROEDDWTUXDBT-KOLCDFICSA-N 1 0 281.743 2.436 20 5 CEBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000591439456 345254717 /nfs/dbraw/zinc/25/47/17/345254717.db2.gz VGNBCLFKXQKBKP-XHDPSFHLSA-N 1 0 298.346 2.331 20 5 CEBDRO CC[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591581215 345266682 /nfs/dbraw/zinc/26/66/82/345266682.db2.gz NYEYZIDORDDNQF-SGMGOOAPSA-N 1 0 281.331 2.336 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2C2CCC2)n1 ZINC000592197616 345336564 /nfs/dbraw/zinc/33/65/64/345336564.db2.gz GALGGNGRGPVAPU-ZDUSSCGKSA-N 1 0 278.356 2.446 20 5 CEBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000592368053 345346973 /nfs/dbraw/zinc/34/69/73/345346973.db2.gz BIFHHGPPTJYHPX-ZYHUDNBSSA-N 1 0 289.335 2.386 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592432816 345352554 /nfs/dbraw/zinc/35/25/54/345352554.db2.gz VCMVQLUQHVUCGH-WFASDCNBSA-N 1 0 275.352 2.087 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000593049261 345428382 /nfs/dbraw/zinc/42/83/82/345428382.db2.gz JLGVVHUUAUTMAQ-UHFFFAOYSA-N 1 0 290.363 2.374 20 5 CEBDRO C[C@H](CO)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080793 345434827 /nfs/dbraw/zinc/43/48/27/345434827.db2.gz ACRAEBYCQUHSLB-GFCCVEGCSA-N 1 0 278.352 2.435 20 5 CEBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108792 345441215 /nfs/dbraw/zinc/44/12/15/345441215.db2.gz CKUJCVVGLPASJU-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3nonc32)CCC1 ZINC000097934406 232190181 /nfs/dbraw/zinc/19/01/81/232190181.db2.gz NCFIZKYXVZXEJS-UHFFFAOYSA-N 1 0 291.311 2.027 20 5 CEBDRO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000593188148 345451285 /nfs/dbraw/zinc/45/12/85/345451285.db2.gz WNYUDZQCICGYJW-TUAOUCFPSA-N 1 0 291.351 2.148 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(CO)CCC2)c(F)c1 ZINC000593693863 345522415 /nfs/dbraw/zinc/52/24/15/345522415.db2.gz RUFWXQQKGFUNPE-UHFFFAOYSA-N 1 0 282.315 2.376 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CCF ZINC000593718625 345526276 /nfs/dbraw/zinc/52/62/76/345526276.db2.gz NLGSQIMGMCNMMK-MNOVXSKESA-N 1 0 270.304 2.274 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000129097227 232211170 /nfs/dbraw/zinc/21/11/70/232211170.db2.gz BIUKEYDHJGBVDI-UHFFFAOYSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C(F)(F)F ZINC000594501417 345639018 /nfs/dbraw/zinc/63/90/18/345639018.db2.gz VPABRHPHRMNNMJ-MWLCHTKSSA-N 1 0 290.241 2.095 20 5 CEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000594592804 345654059 /nfs/dbraw/zinc/65/40/59/345654059.db2.gz XQLLZJIRNNAIFT-DTORHVGOSA-N 1 0 255.343 2.408 20 5 CEBDRO Cc1nn(C)c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594600472 345656988 /nfs/dbraw/zinc/65/69/88/345656988.db2.gz LJVGODVRDUISFQ-NWDGAFQWSA-N 1 0 293.371 2.066 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595102760 345742624 /nfs/dbraw/zinc/74/26/24/345742624.db2.gz JIEBKJBBFXCHCU-DLOVCJGASA-N 1 0 250.298 2.077 20 5 CEBDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595107651 345743217 /nfs/dbraw/zinc/74/32/17/345743217.db2.gz PBYZMXAVTYDQKA-WQAKAFBOSA-N 1 0 250.298 2.423 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595308562 345759475 /nfs/dbraw/zinc/75/94/75/345759475.db2.gz KOVREQHLIIEFTC-UHFFFAOYSA-N 1 0 281.331 2.262 20 5 CEBDRO Cc1noc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595293068 345755885 /nfs/dbraw/zinc/75/58/85/345755885.db2.gz XIQDVBFIWRHCNH-RKDXNWHRSA-N 1 0 253.302 2.369 20 5 CEBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000594954010 345715285 /nfs/dbraw/zinc/71/52/85/345715285.db2.gz VVRQQEFBSFMVKS-HIFRSBDPSA-N 1 0 294.351 2.044 20 5 CEBDRO COC[C@@H](CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000594956169 345715746 /nfs/dbraw/zinc/71/57/46/345715746.db2.gz VKRRXYABJAHLFU-HZRUHFOJSA-N 1 0 294.351 2.249 20 5 CEBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594968962 345719530 /nfs/dbraw/zinc/71/95/30/345719530.db2.gz XZMRPGDFKVMDDW-UVARLRKDSA-N 1 0 296.392 2.374 20 5 CEBDRO COCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009659 345726042 /nfs/dbraw/zinc/72/60/42/345726042.db2.gz ZEEPQRGVXPHYDP-JTQLQIEISA-N 1 0 268.313 2.291 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000595016080 345727598 /nfs/dbraw/zinc/72/75/98/345727598.db2.gz GZSZTGQNOZDNHB-ZUZCIYMTSA-N 1 0 294.351 2.415 20 5 CEBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000595302809 345758521 /nfs/dbraw/zinc/75/85/21/345758521.db2.gz KKAIWAJGTAOFJV-NSHDSACASA-N 1 0 282.315 2.328 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000595046718 345734728 /nfs/dbraw/zinc/73/47/28/345734728.db2.gz QQQJDZZGNLGFCC-DCAQKATOSA-N 1 0 280.324 2.431 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056636 345736248 /nfs/dbraw/zinc/73/62/48/345736248.db2.gz OTIOMJFOALQJFG-HZMBPMFUSA-N 1 0 264.325 2.406 20 5 CEBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595061582 345737353 /nfs/dbraw/zinc/73/73/53/345737353.db2.gz RVHIQFKQRZNNFX-NJZAAPMLSA-N 1 0 294.351 2.297 20 5 CEBDRO C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595457126 345787620 /nfs/dbraw/zinc/78/76/20/345787620.db2.gz ZQEIIVCXLJCQGB-DDFAGTSDSA-N 1 0 282.315 2.468 20 5 CEBDRO CO[C@@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595465014 345789485 /nfs/dbraw/zinc/78/94/85/345789485.db2.gz LFCNMIIDESUMHL-ZDUSSCGKSA-N 1 0 283.328 2.282 20 5 CEBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cs1 ZINC000595633648 345833199 /nfs/dbraw/zinc/83/31/99/345833199.db2.gz RPFPDDDJRDOFAW-GRYCIOLGSA-N 1 0 282.365 2.249 20 5 CEBDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756920 345868741 /nfs/dbraw/zinc/86/87/41/345868741.db2.gz HRINNXWCFPSHQD-JSGCOSHPSA-N 1 0 262.309 2.063 20 5 CEBDRO Cc1c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759421 345869448 /nfs/dbraw/zinc/86/94/48/345869448.db2.gz PXNJZRSVSDHIDD-ZFWWWQNUSA-N 1 0 276.336 2.372 20 5 CEBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000595766523 345871284 /nfs/dbraw/zinc/87/12/84/345871284.db2.gz OODKKTHBOIFPFD-WCQYABFASA-N 1 0 294.351 2.339 20 5 CEBDRO C[NH+](C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596056362 345929580 /nfs/dbraw/zinc/92/95/80/345929580.db2.gz VVUSNCNPEMLOIN-UHFFFAOYSA-N 1 0 288.145 2.331 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907379 345911196 /nfs/dbraw/zinc/91/11/96/345911196.db2.gz UASGYXVPKYSSMR-OASPWFOLSA-N 1 0 267.304 2.027 20 5 CEBDRO COCC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000595908647 345911533 /nfs/dbraw/zinc/91/15/33/345911533.db2.gz JFOYIUKDOCLTDF-UHFFFAOYSA-N 1 0 283.328 2.330 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](CC[NH3+])C1 ZINC000596016051 345923743 /nfs/dbraw/zinc/92/37/43/345923743.db2.gz OIXUCAKWVSCOPR-LLVKDONJSA-N 1 0 279.340 2.169 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596090935 345938027 /nfs/dbraw/zinc/93/80/27/345938027.db2.gz SDVJFBVDFMWILG-GFCCVEGCSA-N 1 0 291.351 2.390 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596119643 345943882 /nfs/dbraw/zinc/94/38/82/345943882.db2.gz MTGKNNLXRHFQCO-CQSZACIVSA-N 1 0 292.339 2.085 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596138332 345949388 /nfs/dbraw/zinc/94/93/88/345949388.db2.gz IRSIXALRSOVPJV-LLVKDONJSA-N 1 0 294.355 2.006 20 5 CEBDRO CCC[N@@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596230679 345975088 /nfs/dbraw/zinc/97/50/88/345975088.db2.gz CHHAIGJHIULIFS-JTQLQIEISA-N 1 0 298.774 2.351 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000596244826 345979060 /nfs/dbraw/zinc/97/90/60/345979060.db2.gz SYMGOBPORCZGFF-NEPJUHHUSA-N 1 0 263.341 2.432 20 5 CEBDRO COc1cc(N2CC(C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596245992 345979345 /nfs/dbraw/zinc/97/93/45/345979345.db2.gz APJPTKYQAQLRPO-UHFFFAOYSA-N 1 0 299.758 2.255 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596194424 345966413 /nfs/dbraw/zinc/96/64/13/345966413.db2.gz LAQLOXPUNXIMSK-UHFFFAOYSA-N 1 0 284.747 2.174 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1NCC[C@H](C)[NH+](C)C ZINC000596427931 346020668 /nfs/dbraw/zinc/02/06/68/346020668.db2.gz CHTQCBQYUFMOGC-NSHDSACASA-N 1 0 281.356 2.493 20 5 CEBDRO C[C@H](CCNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596428689 346020766 /nfs/dbraw/zinc/02/07/66/346020766.db2.gz GSQYYIMMSMRFRJ-SECBINFHSA-N 1 0 255.293 2.486 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000311394210 201888328 /nfs/dbraw/zinc/88/83/28/201888328.db2.gz BLTBEBQSLVWKFC-OLZOCXBDSA-N 1 0 264.325 2.236 20 5 CEBDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000128331791 187364858 /nfs/dbraw/zinc/36/48/58/187364858.db2.gz FTTJIEKBKOXMAP-AWEZNQCLSA-N 1 0 291.351 2.162 20 5 CEBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCc3n[nH]cc3C2)cc1 ZINC000596597413 346062613 /nfs/dbraw/zinc/06/26/13/346062613.db2.gz RJWDKJAFZDCZMU-UHFFFAOYSA-N 1 0 286.335 2.309 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212333 346150208 /nfs/dbraw/zinc/15/02/08/346150208.db2.gz UNWHLEXDIKRFQJ-HIFRSBDPSA-N 1 0 276.336 2.372 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000597236177 346157661 /nfs/dbraw/zinc/15/76/61/346157661.db2.gz PCZROVKOVUVQNR-IUODEOHRSA-N 1 0 278.352 2.354 20 5 CEBDRO C[C@@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000597993353 346264929 /nfs/dbraw/zinc/26/49/29/346264929.db2.gz SAUMQDZCWKLREI-VIFPVBQESA-N 1 0 299.758 2.318 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368278 179037931 /nfs/dbraw/zinc/03/79/31/179037931.db2.gz MKFJQEYKPWGBOV-OLZOCXBDSA-N 1 0 291.351 2.071 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+]1CCCC1 ZINC000062075473 362704811 /nfs/dbraw/zinc/70/48/11/362704811.db2.gz MQLNZNKVYWQKFN-LLVKDONJSA-N 1 0 278.356 2.442 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+]1CCCC1 ZINC000062075475 362705058 /nfs/dbraw/zinc/70/50/58/362705058.db2.gz MQLNZNKVYWQKFN-NSHDSACASA-N 1 0 278.356 2.442 20 5 CEBDRO C[NH2+]C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC1 ZINC000598633416 346388452 /nfs/dbraw/zinc/38/84/52/346388452.db2.gz MCRLQDNFOZVECS-UHFFFAOYSA-N 1 0 286.335 2.119 20 5 CEBDRO [NH3+][C@]12CCC[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000598717681 346407066 /nfs/dbraw/zinc/40/70/66/346407066.db2.gz HOIRUVIWAIUHEM-ARTVWEGUSA-N 1 0 287.363 2.421 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cs1 ZINC000599006288 346445416 /nfs/dbraw/zinc/44/54/16/346445416.db2.gz GJLWVLMTMPUWNI-QWRGUYRKSA-N 1 0 268.338 2.313 20 5 CEBDRO COCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598912239 346433226 /nfs/dbraw/zinc/43/32/26/346433226.db2.gz USTUBPYSLUGOKT-SECBINFHSA-N 1 0 279.296 2.251 20 5 CEBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990473 346442509 /nfs/dbraw/zinc/44/25/09/346442509.db2.gz FULUBEQDPNOIET-ZDUSSCGKSA-N 1 0 266.341 2.482 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)CCC2 ZINC000599083508 346457415 /nfs/dbraw/zinc/45/74/15/346457415.db2.gz XYSJWRPDEDJJRK-ZBINZKHDSA-N 1 0 276.336 2.333 20 5 CEBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000599141381 346466502 /nfs/dbraw/zinc/46/65/02/346466502.db2.gz LNRDZDWMVVDISA-JTQLQIEISA-N 1 0 282.319 2.273 20 5 CEBDRO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCOC1 ZINC000602600265 347095053 /nfs/dbraw/zinc/09/50/53/347095053.db2.gz HMGXGIQFXXYWRU-CQSZACIVSA-N 1 0 291.307 2.395 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063195750 362758090 /nfs/dbraw/zinc/75/80/90/362758090.db2.gz BXVYUMJXRCDENM-FZMZJTMJSA-N 1 0 293.367 2.305 20 5 CEBDRO Cn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602606224 347097580 /nfs/dbraw/zinc/09/75/80/347097580.db2.gz CUFHMKVYHDNYTP-LLVKDONJSA-N 1 0 266.345 2.196 20 5 CEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000599604272 346545208 /nfs/dbraw/zinc/54/52/08/346545208.db2.gz OILGZWOKWWEMGR-WCQYABFASA-N 1 0 292.339 2.165 20 5 CEBDRO CCc1nocc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000339236403 215031788 /nfs/dbraw/zinc/03/17/88/215031788.db2.gz HASJNFJQMZLNAL-UHFFFAOYSA-N 1 0 275.308 2.478 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000600682546 346673006 /nfs/dbraw/zinc/67/30/06/346673006.db2.gz PGMDGDXECKLAAB-YUELXQCFSA-N 1 0 289.379 2.258 20 5 CEBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336807858 365843277 /nfs/dbraw/zinc/84/32/77/365843277.db2.gz AHVIVZVDFZXZOP-CYBMUJFWSA-N 1 0 270.304 2.375 20 5 CEBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[NH2+]C34CCC4)c21 ZINC000600951686 346715647 /nfs/dbraw/zinc/71/56/47/346715647.db2.gz SWCVGYSVOZGRKG-LBPRGKRZSA-N 1 0 299.334 2.235 20 5 CEBDRO C/C=C\C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600758085 346685090 /nfs/dbraw/zinc/68/50/90/346685090.db2.gz VMCBXNKWKRKLEQ-IHWYPQMZSA-N 1 0 263.297 2.089 20 5 CEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601121146 346759280 /nfs/dbraw/zinc/75/92/80/346759280.db2.gz LKINSHISFDBJSU-GFCCVEGCSA-N 1 0 296.346 2.440 20 5 CEBDRO C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000601169607 346775829 /nfs/dbraw/zinc/77/58/29/346775829.db2.gz DLXKHGSYLFMZEI-SNVBAGLBSA-N 1 0 294.330 2.049 20 5 CEBDRO Cc1c(C[N@@H+]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000336813333 365853508 /nfs/dbraw/zinc/85/35/08/365853508.db2.gz UHLSVLGUGLVKPV-ZDUSSCGKSA-N 1 0 264.325 2.250 20 5 CEBDRO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602677098 347138917 /nfs/dbraw/zinc/13/89/17/347138917.db2.gz SFPVURCCKPWICV-NWDGAFQWSA-N 1 0 278.356 2.339 20 5 CEBDRO Cn1cc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602685466 347145070 /nfs/dbraw/zinc/14/50/70/347145070.db2.gz GXOMHNLWZJDTRT-CQROYNQRSA-N 1 0 290.367 2.196 20 5 CEBDRO CN(CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660093 347128620 /nfs/dbraw/zinc/12/86/20/347128620.db2.gz YIMSECOQOISXHP-UHFFFAOYSA-N 1 0 292.339 2.120 20 5 CEBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000295960377 136689831 /nfs/dbraw/zinc/68/98/31/136689831.db2.gz JIXYCLALEATCPU-NSHDSACASA-N 1 0 278.356 2.219 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000602765879 347189649 /nfs/dbraw/zinc/18/96/49/347189649.db2.gz NUTNMHIAASJZGO-UHFFFAOYSA-N 1 0 278.356 2.220 20 5 CEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@H]1C ZINC000602784807 347196860 /nfs/dbraw/zinc/19/68/60/347196860.db2.gz INVQUEOEDQFZQN-LLVKDONJSA-N 1 0 266.345 2.364 20 5 CEBDRO CCC(C)(C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789911 347199945 /nfs/dbraw/zinc/19/99/45/347199945.db2.gz ASRBVIOWOBJPKV-UHFFFAOYSA-N 1 0 254.334 2.220 20 5 CEBDRO C[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804595 347206894 /nfs/dbraw/zinc/20/68/94/347206894.db2.gz KEEQNPHVVKBTRN-MNOVXSKESA-N 1 0 287.323 2.024 20 5 CEBDRO CC[N@H+](CCC1CC1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602808132 347208290 /nfs/dbraw/zinc/20/82/90/347208290.db2.gz ATTKWBGQJGMWPX-UHFFFAOYSA-N 1 0 266.345 2.222 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602744079 347182805 /nfs/dbraw/zinc/18/28/05/347182805.db2.gz OERLUWAGXPMUOU-LDYMZIIASA-N 1 0 292.257 2.039 20 5 CEBDRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602760720 347186978 /nfs/dbraw/zinc/18/69/78/347186978.db2.gz QZWIWEWPFWVIOS-JTQLQIEISA-N 1 0 268.361 2.442 20 5 CEBDRO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602761335 347187524 /nfs/dbraw/zinc/18/75/24/347187524.db2.gz BLXFALRIXWPEFJ-UHFFFAOYSA-N 1 0 266.345 2.483 20 5 CEBDRO CC(C)[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000085861879 179190457 /nfs/dbraw/zinc/19/04/57/179190457.db2.gz FSUPXJIRSFQJEK-UHFFFAOYSA-N 1 0 282.340 2.066 20 5 CEBDRO Cc1noc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000602873777 347234107 /nfs/dbraw/zinc/23/41/07/347234107.db2.gz LEALCPUEUZVGPR-LBPRGKRZSA-N 1 0 296.371 2.053 20 5 CEBDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982676 179209902 /nfs/dbraw/zinc/20/99/02/179209902.db2.gz HICNWSVICORTIO-MFKMUULPSA-N 1 0 252.314 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)c(Cl)c1 ZINC000603419319 347365856 /nfs/dbraw/zinc/36/58/56/347365856.db2.gz LPHKZTFCXYIZEI-MRVPVSSYSA-N 1 0 287.772 2.365 20 5 CEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431123 347368461 /nfs/dbraw/zinc/36/84/61/347368461.db2.gz FCNGOOADPIOJEB-NEPJUHHUSA-N 1 0 283.759 2.464 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351847502 219222927 /nfs/dbraw/zinc/22/29/27/219222927.db2.gz AAVXXLWOXPTUAD-NWDGAFQWSA-N 1 0 293.367 2.163 20 5 CEBDRO CC[NH2+]CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129916390 365906548 /nfs/dbraw/zinc/90/65/48/365906548.db2.gz NHKDTPANYZGHQU-UHFFFAOYSA-N 1 0 291.351 2.057 20 5 CEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610512552 347688045 /nfs/dbraw/zinc/68/80/45/347688045.db2.gz ANKGUNDPTCGYGU-SNVBAGLBSA-N 1 0 269.370 2.434 20 5 CEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585255 347694419 /nfs/dbraw/zinc/69/44/19/347694419.db2.gz HNMKCNDODRXQJD-VXGBXAGGSA-N 1 0 262.309 2.458 20 5 CEBDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337420 347767456 /nfs/dbraw/zinc/76/74/56/347767456.db2.gz CGYMIXUSZWYCDI-GXFFZTMASA-N 1 0 264.325 2.406 20 5 CEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000611222081 347753418 /nfs/dbraw/zinc/75/34/18/347753418.db2.gz ZCUFKNSQWIHMDA-GHMZBOCLSA-N 1 0 278.356 2.217 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](C)CC2)n1 ZINC000611615826 347799327 /nfs/dbraw/zinc/79/93/27/347799327.db2.gz BOGLIZOTGCAQKW-UHFFFAOYSA-N 1 0 278.356 2.360 20 5 CEBDRO COc1ccc(NC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611889790 347824494 /nfs/dbraw/zinc/82/44/94/347824494.db2.gz ZDHMIQLXCHOZDJ-UHFFFAOYSA-N 1 0 295.339 2.274 20 5 CEBDRO C[C@H](CCCCO)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000611520973 347790299 /nfs/dbraw/zinc/79/02/99/347790299.db2.gz XVNRFNBUVLVPOX-GFCCVEGCSA-N 1 0 266.341 2.278 20 5 CEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cccc1[N+](=O)[O-] ZINC000614710982 348230694 /nfs/dbraw/zinc/23/06/94/348230694.db2.gz AXCWPCXCRYRPEN-TZMCWYRMSA-N 1 0 291.351 2.116 20 5 CEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+](C)C ZINC000273411611 192141886 /nfs/dbraw/zinc/14/18/86/192141886.db2.gz KTOQVPDMWGGIHD-VAWYXSNFSA-N 1 0 291.351 2.018 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)C(F)(F)F ZINC000616487333 348509939 /nfs/dbraw/zinc/50/99/39/348509939.db2.gz YFZUOFZQBLJDSD-JOAKQRRISA-N 1 0 290.241 2.121 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617252622 348658156 /nfs/dbraw/zinc/65/81/56/348658156.db2.gz WPJOWUZQGSGUCV-OTYXRUKQSA-N 1 0 291.307 2.393 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C[N@@H+]1C1CC1 ZINC000357518836 233087084 /nfs/dbraw/zinc/08/70/84/233087084.db2.gz AIGSXHWGAJNBOB-ONGXEEELSA-N 1 0 262.313 2.027 20 5 CEBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000617976686 348843054 /nfs/dbraw/zinc/84/30/54/348843054.db2.gz TUBMSDPWJUKOJX-LBPRGKRZSA-N 1 0 276.340 2.419 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000339538168 215234493 /nfs/dbraw/zinc/23/44/93/215234493.db2.gz JLWZDYKMGIGAPI-LBPRGKRZSA-N 1 0 270.304 2.373 20 5 CEBDRO C[C@H]1COCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288426 348920062 /nfs/dbraw/zinc/92/00/62/348920062.db2.gz KYIWIIMKUYMUIP-JTQLQIEISA-N 1 0 290.323 2.082 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC12CCOCC2 ZINC000618318141 348923968 /nfs/dbraw/zinc/92/39/68/348923968.db2.gz DNYXQFFRQCHHPS-UHFFFAOYSA-N 1 0 280.299 2.489 20 5 CEBDRO COCC[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000618551185 348973611 /nfs/dbraw/zinc/97/36/11/348973611.db2.gz ZXFDNUWIWBEKTB-CQSZACIVSA-N 1 0 298.314 2.019 20 5 CEBDRO C[NH2+][C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000568865407 299161183 /nfs/dbraw/zinc/16/11/83/299161183.db2.gz JORNMZZKKLIDEM-HJHHMULASA-N 1 0 275.352 2.292 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)CCCCC1 ZINC000619531786 349194527 /nfs/dbraw/zinc/19/45/27/349194527.db2.gz OVOQBWJBMDZADQ-UHFFFAOYSA-N 1 0 294.351 2.388 20 5 CEBDRO Cc1noc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000089517944 179808709 /nfs/dbraw/zinc/80/87/09/179808709.db2.gz OAJODARIMHCNTE-JTQLQIEISA-N 1 0 290.323 2.488 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774024 180038527 /nfs/dbraw/zinc/03/85/27/180038527.db2.gz JJCMPJZQGFCINQ-QWRGUYRKSA-N 1 0 250.298 2.343 20 5 CEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937107 233302889 /nfs/dbraw/zinc/30/28/89/233302889.db2.gz LTXSSQBGYQSSNZ-DGCLKSJQSA-N 1 0 291.351 2.066 20 5 CEBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061933 233326074 /nfs/dbraw/zinc/32/60/74/233326074.db2.gz ANLZDWHTYGTCMK-CHWSQXEVSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000104954532 186034438 /nfs/dbraw/zinc/03/44/38/186034438.db2.gz NXVUDAPYYLWJTI-UHFFFAOYSA-N 1 0 277.368 2.431 20 5 CEBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000091673463 180224522 /nfs/dbraw/zinc/22/45/22/180224522.db2.gz WPQGPKLFMIOUPP-ZIAGYGMSSA-N 1 0 291.351 2.178 20 5 CEBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000091673468 180224792 /nfs/dbraw/zinc/22/47/92/180224792.db2.gz WPQGPKLFMIOUPP-KGLIPLIRSA-N 1 0 291.351 2.178 20 5 CEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000339713240 215310335 /nfs/dbraw/zinc/31/03/35/215310335.db2.gz VLJHFTXCKLDXSO-OLZOCXBDSA-N 1 0 278.356 2.302 20 5 CEBDRO CC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000352183136 219348933 /nfs/dbraw/zinc/34/89/33/219348933.db2.gz AAJRFHCPFWSGGF-NSHDSACASA-N 1 0 269.276 2.013 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393840 180376010 /nfs/dbraw/zinc/37/60/10/180376010.db2.gz MSFBTQAKJLQLLM-ZWNOBZJWSA-N 1 0 252.314 2.262 20 5 CEBDRO COc1cc(C[N@@H+](C)C2CC(OC)C2)ccc1[N+](=O)[O-] ZINC000352193771 219356276 /nfs/dbraw/zinc/35/62/76/219356276.db2.gz FURWOATZNPOYSP-UHFFFAOYSA-N 1 0 280.324 2.213 20 5 CEBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000069223870 362957796 /nfs/dbraw/zinc/95/77/96/362957796.db2.gz KSSQBLKIKMRFRP-SNVBAGLBSA-N 1 0 292.339 2.199 20 5 CEBDRO CCOCC[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000107680385 186184746 /nfs/dbraw/zinc/18/47/46/186184746.db2.gz GKZLETFGCHRTPP-UHFFFAOYSA-N 1 0 266.341 2.496 20 5 CEBDRO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000271403401 191118191 /nfs/dbraw/zinc/11/81/91/191118191.db2.gz WEXOUWWWNQGAMO-SPYVTISKSA-N 1 0 276.336 2.311 20 5 CEBDRO CCOc1cc(OCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000111054706 186349393 /nfs/dbraw/zinc/34/93/93/186349393.db2.gz BJEKBVFJRONVRK-UHFFFAOYSA-N 1 0 280.324 2.372 20 5 CEBDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330420 366043177 /nfs/dbraw/zinc/04/31/77/366043177.db2.gz HYWLWBBXZVYSGF-MFKMUULPSA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1ccnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000070496010 363090970 /nfs/dbraw/zinc/09/09/70/363090970.db2.gz DTDDCWXOOLLGCC-GFCCVEGCSA-N 1 0 278.356 2.440 20 5 CEBDRO CCC1(C)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000291874331 198091355 /nfs/dbraw/zinc/09/13/55/198091355.db2.gz LEGJLXBDSPLLBS-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122886042 187057738 /nfs/dbraw/zinc/05/77/38/187057738.db2.gz PWEGMBBSFCJUNJ-GXFFZTMASA-N 1 0 252.314 2.406 20 5 CEBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291946389 198113936 /nfs/dbraw/zinc/11/39/36/198113936.db2.gz UJHJYFLYYXFPIX-CYBMUJFWSA-N 1 0 294.351 2.473 20 5 CEBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000132145381 187610800 /nfs/dbraw/zinc/61/08/00/187610800.db2.gz CXPRLYSSZRKQTH-DGCLKSJQSA-N 1 0 264.325 2.152 20 5 CEBDRO CCn1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000072980985 363189632 /nfs/dbraw/zinc/18/96/32/363189632.db2.gz OPWMRBZGVSXAHQ-UHFFFAOYSA-N 1 0 288.351 2.486 20 5 CEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591826 191229433 /nfs/dbraw/zinc/22/94/33/191229433.db2.gz GPVCFIOGVNPMSN-IINYFYTJSA-N 1 0 261.325 2.489 20 5 CEBDRO Cc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000136128791 187866176 /nfs/dbraw/zinc/86/61/76/187866176.db2.gz AEWSNDAYTJTCEU-CQSZACIVSA-N 1 0 277.324 2.374 20 5 CEBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000154318979 188135833 /nfs/dbraw/zinc/13/58/33/188135833.db2.gz VTSXTVJIDMHODS-UHFFFAOYSA-N 1 0 297.742 2.250 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154385996 188138421 /nfs/dbraw/zinc/13/84/21/188138421.db2.gz UEIPZBDDLOQTRQ-MFKMUULPSA-N 1 0 250.298 2.113 20 5 CEBDRO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292590740 198343413 /nfs/dbraw/zinc/34/34/13/198343413.db2.gz LQWIRASEOYBHNE-SNVBAGLBSA-N 1 0 267.304 2.406 20 5 CEBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708145 191285948 /nfs/dbraw/zinc/28/59/48/191285948.db2.gz IOPVUSDFWFJBIJ-MNOVXSKESA-N 1 0 278.308 2.199 20 5 CEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000293125229 198532645 /nfs/dbraw/zinc/53/26/45/198532645.db2.gz RHHZKTKMZFNPIG-GFCCVEGCSA-N 1 0 293.367 2.129 20 5 CEBDRO C[NH2+]C[C@H](C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000133237413 366207107 /nfs/dbraw/zinc/20/71/07/366207107.db2.gz NMTFFQBEZYITFB-JTQLQIEISA-N 1 0 274.324 2.410 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451548029 283030543 /nfs/dbraw/zinc/03/05/43/283030543.db2.gz MALMZGHCHNGSQX-ZDUSSCGKSA-N 1 0 264.325 2.157 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000271767898 191316029 /nfs/dbraw/zinc/31/60/29/191316029.db2.gz HUNQJRNLNIELBF-GFCCVEGCSA-N 1 0 291.351 2.176 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000364986294 283078969 /nfs/dbraw/zinc/07/89/69/283078969.db2.gz LCOAZHSTFGENBS-YGRLFVJLSA-N 1 0 279.315 2.264 20 5 CEBDRO CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000272129794 191530782 /nfs/dbraw/zinc/53/07/82/191530782.db2.gz RXGWGBLZKCWNQC-PWSUYJOCSA-N 1 0 279.340 2.112 20 5 CEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272273788 191625966 /nfs/dbraw/zinc/62/59/66/191625966.db2.gz NXJZJKRXNCJLNS-RKDXNWHRSA-N 1 0 297.742 2.058 20 5 CEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216640 299246184 /nfs/dbraw/zinc/24/61/84/299246184.db2.gz SAVBJLDBPQKTDU-YPMHNXCESA-N 1 0 296.367 2.490 20 5 CEBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000134549802 366337660 /nfs/dbraw/zinc/33/76/60/366337660.db2.gz RQXIHZJQCBMVQS-ZDUSSCGKSA-N 1 0 252.314 2.091 20 5 CEBDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000134644485 366349105 /nfs/dbraw/zinc/34/91/05/366349105.db2.gz GGLUDHXQHYOQSC-GMXVVIOVSA-N 1 0 262.309 2.182 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135244832 366415670 /nfs/dbraw/zinc/41/56/70/366415670.db2.gz KZZYNLVEFOVJGZ-LBPRGKRZSA-N 1 0 279.340 2.151 20 5 CEBDRO CC[N@H+](CCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135416753 366436008 /nfs/dbraw/zinc/43/60/08/366436008.db2.gz HYVGJFXRNUCXKU-UHFFFAOYSA-N 1 0 272.732 2.453 20 5 CEBDRO Cc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000294866443 199220869 /nfs/dbraw/zinc/22/08/69/199220869.db2.gz OXKYFBNBBJTDNG-CYBMUJFWSA-N 1 0 291.351 2.165 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000338707832 366482591 /nfs/dbraw/zinc/48/25/91/366482591.db2.gz UBEXSUQNALISFY-OAHLLOKOSA-N 1 0 293.367 2.380 20 5 CEBDRO C[C@H]1CSC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000352820178 219661351 /nfs/dbraw/zinc/66/13/51/219661351.db2.gz YQWAHNTXCUKFNG-GXFFZTMASA-N 1 0 282.365 2.315 20 5 CEBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000341293571 215914297 /nfs/dbraw/zinc/91/42/97/215914297.db2.gz PTFRVVPMNDWNTG-SECBINFHSA-N 1 0 299.758 2.176 20 5 CEBDRO CSCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000138207127 366550227 /nfs/dbraw/zinc/55/02/27/366550227.db2.gz VXFVKJVHTAACSI-UHFFFAOYSA-N 1 0 297.380 2.218 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCCC1 ZINC000148518974 366583679 /nfs/dbraw/zinc/58/36/79/366583679.db2.gz TVTCQVQDICVYGY-UHFFFAOYSA-N 1 0 270.720 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[NH2+]CCO2)c2ccccc21 ZINC000080760561 363682328 /nfs/dbraw/zinc/68/23/28/363682328.db2.gz CFHOTHRPOXJFPB-LLVKDONJSA-N 1 0 288.303 2.115 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000297693521 200262825 /nfs/dbraw/zinc/26/28/25/200262825.db2.gz QAKYNUCPCDCKSG-UHFFFAOYSA-N 1 0 289.379 2.354 20 5 CEBDRO CCc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236965000 370666725 /nfs/dbraw/zinc/66/67/25/370666725.db2.gz GFWOFEBGTNCDNC-ZDUSSCGKSA-N 1 0 293.367 2.260 20 5 CEBDRO Cn1nccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494036 366655951 /nfs/dbraw/zinc/65/59/51/366655951.db2.gz DLNVJGCRQKXUII-CYBMUJFWSA-N 1 0 272.308 2.105 20 5 CEBDRO CCOC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081521067 363725277 /nfs/dbraw/zinc/72/52/77/363725277.db2.gz DCZCLOWXXOEBJE-CYBMUJFWSA-N 1 0 294.351 2.332 20 5 CEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCOC1 ZINC000178352175 189109235 /nfs/dbraw/zinc/10/92/35/189109235.db2.gz HPQPYPBIQLMYRG-GFCCVEGCSA-N 1 0 294.351 2.462 20 5 CEBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179890016 189226560 /nfs/dbraw/zinc/22/65/60/189226560.db2.gz POSBMSNECTXVNG-CYBMUJFWSA-N 1 0 292.335 2.431 20 5 CEBDRO C[C@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180395639 189253077 /nfs/dbraw/zinc/25/30/77/189253077.db2.gz VSKXBLYADLQPRY-NSHDSACASA-N 1 0 252.314 2.408 20 5 CEBDRO C[NH+](C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730435 363784986 /nfs/dbraw/zinc/78/49/86/363784986.db2.gz GSKPHWIKVWKEKE-UHFFFAOYSA-N 1 0 288.145 2.331 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000083896483 363790415 /nfs/dbraw/zinc/79/04/15/363790415.db2.gz QFYLQULZPKELPA-GFCCVEGCSA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1ccnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000083629919 363780968 /nfs/dbraw/zinc/78/09/68/363780968.db2.gz UISAAUUKZRZWPY-NWDGAFQWSA-N 1 0 276.340 2.337 20 5 CEBDRO Cc1cnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000340103245 366771826 /nfs/dbraw/zinc/77/18/26/366771826.db2.gz ADLVCNJYAQEFMQ-UHFFFAOYSA-N 1 0 272.308 2.026 20 5 CEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000154893109 366796161 /nfs/dbraw/zinc/79/61/61/366796161.db2.gz LLGVMDUTGRNREN-GFCCVEGCSA-N 1 0 290.367 2.443 20 5 CEBDRO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000340150842 366783537 /nfs/dbraw/zinc/78/35/37/366783537.db2.gz DYJQLCXWEQMKPL-LBPRGKRZSA-N 1 0 292.364 2.188 20 5 CEBDRO CC[NH+](CC)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000013734420 361440009 /nfs/dbraw/zinc/44/00/09/361440009.db2.gz FUBNNOYJAFREKL-UHFFFAOYSA-N 1 0 265.357 2.416 20 5 CEBDRO Cc1c(NC(=O)[C@H](C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000087519585 363859588 /nfs/dbraw/zinc/85/95/88/363859588.db2.gz BMDKVBJGXPKHSI-SNVBAGLBSA-N 1 0 265.313 2.073 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000089168857 363945865 /nfs/dbraw/zinc/94/58/65/363945865.db2.gz SFFCKWKQRVKMQW-GXFFZTMASA-N 1 0 284.743 2.499 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089106774 363931294 /nfs/dbraw/zinc/93/12/94/363931294.db2.gz XZWXWHLTJHWYCZ-YPMHNXCESA-N 1 0 291.351 2.151 20 5 CEBDRO C[C@H]1CCC[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000092567462 364082066 /nfs/dbraw/zinc/08/20/66/364082066.db2.gz APZFFUAFYFCCJK-RYUDHWBXSA-N 1 0 266.345 2.207 20 5 CEBDRO Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795124 364063986 /nfs/dbraw/zinc/06/39/86/364063986.db2.gz PHJOOSZOQRTXQO-GHMZBOCLSA-N 1 0 264.329 2.193 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000094774965 364295242 /nfs/dbraw/zinc/29/52/42/364295242.db2.gz FKROMHLPFIHGHG-UHFFFAOYSA-N 1 0 270.304 2.327 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000190316775 189560250 /nfs/dbraw/zinc/56/02/50/189560250.db2.gz CIMDMXKNVRRCKZ-SECBINFHSA-N 1 0 270.358 2.195 20 5 CEBDRO C[C@@H](CCO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097441330 364500654 /nfs/dbraw/zinc/50/06/54/364500654.db2.gz HRDLJXKVBGJXFS-VIFPVBQESA-N 1 0 272.732 2.356 20 5 CEBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303062 299357654 /nfs/dbraw/zinc/35/76/54/299357654.db2.gz XYXDWFKLAIPEIM-DUFXMDAXSA-N 1 0 296.392 2.284 20 5 CEBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)ncc1[N+](=O)[O-] ZINC000275522533 193066508 /nfs/dbraw/zinc/06/65/08/193066508.db2.gz WWXQWRMLHFDSIT-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000120797446 365476276 /nfs/dbraw/zinc/47/62/76/365476276.db2.gz CZQKIVJNGPWZCW-OCCSQVGLSA-N 1 0 291.351 2.162 20 5 CEBDRO CCOC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000159286694 366897842 /nfs/dbraw/zinc/89/78/42/366897842.db2.gz JROLRTXRZNBBSD-UHFFFAOYSA-N 1 0 252.314 2.500 20 5 CEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342559016 367421752 /nfs/dbraw/zinc/42/17/52/367421752.db2.gz FAPFSEIICQCNEH-CQSZACIVSA-N 1 0 291.351 2.085 20 5 CEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCO1 ZINC000342611355 367450082 /nfs/dbraw/zinc/45/00/82/367450082.db2.gz XYXYGGYBSIGEQX-CQSZACIVSA-N 1 0 294.351 2.475 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000174646416 368051469 /nfs/dbraw/zinc/05/14/69/368051469.db2.gz JEANYQSCECETEF-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000174647636 368052474 /nfs/dbraw/zinc/05/24/74/368052474.db2.gz TZOURXJGJLNLCF-UHFFFAOYSA-N 1 0 293.367 2.365 20 5 CEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174846222 368072748 /nfs/dbraw/zinc/07/27/48/368072748.db2.gz FYCXCYFBJCWFIK-QWRGUYRKSA-N 1 0 252.318 2.054 20 5 CEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060588 368142360 /nfs/dbraw/zinc/14/23/60/368142360.db2.gz MAVQXMIIIDSDPY-SCRDCRAPSA-N 1 0 276.336 2.491 20 5 CEBDRO CC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000176260026 368216616 /nfs/dbraw/zinc/21/66/16/368216616.db2.gz IQLUCIQZWDHYMB-LBPRGKRZSA-N 1 0 295.368 2.163 20 5 CEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345942950 368489786 /nfs/dbraw/zinc/48/97/86/368489786.db2.gz FIFZHDXYCKLGEO-NEPJUHHUSA-N 1 0 291.351 2.150 20 5 CEBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330589610 203007128 /nfs/dbraw/zinc/00/71/28/203007128.db2.gz YFNPTAHKMTXVBF-UHFFFAOYSA-N 1 0 295.339 2.040 20 5 CEBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000186750156 369033607 /nfs/dbraw/zinc/03/36/07/369033607.db2.gz HQHWIJRYKXCDMU-UHFFFAOYSA-N 1 0 263.341 2.121 20 5 CEBDRO [NH3+]CCN(C/C=C\c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000348918011 369199391 /nfs/dbraw/zinc/19/93/91/369199391.db2.gz AWWSMMUHZAEDOX-ARJAWSKDSA-N 1 0 298.346 2.468 20 5 CEBDRO CC[C@@H](C)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348903159 369195207 /nfs/dbraw/zinc/19/52/07/369195207.db2.gz GHSFNNHGKRZPRM-LLVKDONJSA-N 1 0 251.330 2.406 20 5 CEBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000343626633 216854011 /nfs/dbraw/zinc/85/40/11/216854011.db2.gz JAGCFQVNLSXGKI-JTQLQIEISA-N 1 0 254.334 2.206 20 5 CEBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227651006 189786780 /nfs/dbraw/zinc/78/67/80/189786780.db2.gz UEWVELONYWWYLF-UHFFFAOYSA-N 1 0 284.747 2.397 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231469212 189813606 /nfs/dbraw/zinc/81/36/06/189813606.db2.gz QECNMHYHXGBGCJ-GFCCVEGCSA-N 1 0 291.351 2.117 20 5 CEBDRO CN(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000276522024 193365865 /nfs/dbraw/zinc/36/58/65/193365865.db2.gz VJUINYMANZLHBX-DZGCQCFKSA-N 1 0 291.395 2.457 20 5 CEBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191283309 369698252 /nfs/dbraw/zinc/69/82/52/369698252.db2.gz CCOBWTFAOAZSSL-QYJAPNMZSA-N 1 0 264.325 2.329 20 5 CEBDRO CCOc1cc(C[N@H+](CCO)CC2CC2)ccc1[N+](=O)[O-] ZINC000352450613 369736952 /nfs/dbraw/zinc/73/69/52/369736952.db2.gz SATCLQJQOMZPFU-UHFFFAOYSA-N 1 0 294.351 2.198 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352525628 369772633 /nfs/dbraw/zinc/77/26/33/369772633.db2.gz HRECOLLNDCCYEQ-MRXNPFEDSA-N 1 0 289.379 2.479 20 5 CEBDRO COc1cc(C[NH2+][C@@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000352708731 369848080 /nfs/dbraw/zinc/84/80/80/369848080.db2.gz XMDRGIXCXHAUDY-ZDUSSCGKSA-N 1 0 294.351 2.244 20 5 CEBDRO C[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882690 369866894 /nfs/dbraw/zinc/86/68/94/369866894.db2.gz DAXYOUAAQQMCTI-YGRLFVJLSA-N 1 0 264.325 2.333 20 5 CEBDRO CCOc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352889877 369934043 /nfs/dbraw/zinc/93/40/43/369934043.db2.gz BGTSUALDMUGPGV-OAHLLOKOSA-N 1 0 296.367 2.490 20 5 CEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000331124927 203557776 /nfs/dbraw/zinc/55/77/76/203557776.db2.gz OJOFCTSYKROBNA-MNOVXSKESA-N 1 0 266.345 2.387 20 5 CEBDRO CCCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194361006 370030702 /nfs/dbraw/zinc/03/07/02/370030702.db2.gz CWJBMQXFTKGZKE-GFCCVEGCSA-N 1 0 282.340 2.066 20 5 CEBDRO O=[N+]([O-])c1ccc(CN2CCO[C@@H]3CCC[C@H]32)cc1F ZINC000227400929 370371188 /nfs/dbraw/zinc/37/11/88/370371188.db2.gz IGKWWGMSDSYQTM-ZIAGYGMSSA-N 1 0 280.299 2.487 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591461 370408273 /nfs/dbraw/zinc/40/82/73/370408273.db2.gz FATYDUDPFQLRBJ-ONGXEEELSA-N 1 0 252.314 2.010 20 5 CEBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230222911 370446427 /nfs/dbraw/zinc/44/64/27/370446427.db2.gz LMYTVVGCENMULN-AWEZNQCLSA-N 1 0 282.340 2.244 20 5 CEBDRO CC(C)[C@H](CCO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230688469 370464327 /nfs/dbraw/zinc/46/43/27/370464327.db2.gz HRHWCGJCCDDUDW-JTQLQIEISA-N 1 0 258.343 2.153 20 5 CEBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230689158 370465146 /nfs/dbraw/zinc/46/51/46/370465146.db2.gz LAPZSWFVNGDYSM-CYBMUJFWSA-N 1 0 252.314 2.091 20 5 CEBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047747 370437508 /nfs/dbraw/zinc/43/75/08/370437508.db2.gz UPWAGWGMAHQWGF-SDDRHHMPSA-N 1 0 281.381 2.216 20 5 CEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230047736 370437624 /nfs/dbraw/zinc/43/76/24/370437624.db2.gz UPWAGWGMAHQWGF-GRYCIOLGSA-N 1 0 281.381 2.216 20 5 CEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000232870503 370514120 /nfs/dbraw/zinc/51/41/20/370514120.db2.gz YGJWJHLZVFYBSO-SNVBAGLBSA-N 1 0 297.380 2.164 20 5 CEBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355550068 370596891 /nfs/dbraw/zinc/59/68/91/370596891.db2.gz FQXKWKLJUYTCAE-GHMZBOCLSA-N 1 0 266.345 2.339 20 5 CEBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235654199 370572546 /nfs/dbraw/zinc/57/25/46/370572546.db2.gz BDHDCBLTQNXMES-MFKMUULPSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236671755 370606413 /nfs/dbraw/zinc/60/64/13/370606413.db2.gz YYVZOAWRPBHMMN-ZDUSSCGKSA-N 1 0 299.758 2.351 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000236417045 370588148 /nfs/dbraw/zinc/58/81/48/370588148.db2.gz PUXCRIRTNLYHQD-CABCVRRESA-N 1 0 292.335 2.131 20 5 CEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000236808050 370631137 /nfs/dbraw/zinc/63/11/37/370631137.db2.gz ZJIPJNFLYDGLHK-OAHLLOKOSA-N 1 0 293.367 2.017 20 5 CEBDRO COC(=O)CCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000358427251 371061968 /nfs/dbraw/zinc/06/19/68/371061968.db2.gz MYSDVVIRGXSBAR-UHFFFAOYSA-N 1 0 280.324 2.416 20 5 CEBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249592394 371344043 /nfs/dbraw/zinc/34/40/43/371344043.db2.gz VUGCVANEPHSRLA-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251269599 371399367 /nfs/dbraw/zinc/39/93/67/371399367.db2.gz NRFRNATXAIQSBD-UPJWGTAASA-N 1 0 275.352 2.482 20 5 CEBDRO C[C@@H]1c2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000361063577 371628573 /nfs/dbraw/zinc/62/85/73/371628573.db2.gz SJNOGXJBFCZLEH-LLVKDONJSA-N 1 0 272.308 2.368 20 5 CEBDRO Cc1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000261740743 371715146 /nfs/dbraw/zinc/71/51/46/371715146.db2.gz LAQPTVHCLMFOFG-UHFFFAOYSA-N 1 0 274.280 2.291 20 5 CEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000261621377 371681977 /nfs/dbraw/zinc/68/19/77/371681977.db2.gz AAEYHVAFSZPHQP-HZMBPMFUSA-N 1 0 281.331 2.436 20 5 CEBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261654152 371693713 /nfs/dbraw/zinc/69/37/13/371693713.db2.gz HQEFNSVQCNBWHS-ZDUSSCGKSA-N 1 0 291.351 2.021 20 5 CEBDRO C[C@]1(C[NH3+])CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833938 371746146 /nfs/dbraw/zinc/74/61/46/371746146.db2.gz QEUGUAHZNRDFNM-CSPWOOARSA-N 1 0 275.352 2.279 20 5 CEBDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138168 217067804 /nfs/dbraw/zinc/06/78/04/217067804.db2.gz XEXVTZINBDWBQT-QWHCGFSZSA-N 1 0 294.351 2.066 20 5 CEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000268486160 372115760 /nfs/dbraw/zinc/11/57/60/372115760.db2.gz MKWJZNPEKBEMDY-DGCLKSJQSA-N 1 0 292.383 2.465 20 5 CEBDRO Cc1cnc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268208326 372090818 /nfs/dbraw/zinc/09/08/18/372090818.db2.gz YXACFJBCEBFOSE-JQWIXIFHSA-N 1 0 276.340 2.193 20 5 CEBDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000362063603 372196317 /nfs/dbraw/zinc/19/63/17/372196317.db2.gz HMOUXPIHXMLRBC-MWLCHTKSSA-N 1 0 284.743 2.308 20 5 CEBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327132 217152036 /nfs/dbraw/zinc/15/20/36/217152036.db2.gz JIEGHMWVPWCXHK-QMTHXVAHSA-N 1 0 281.331 2.306 20 5 CEBDRO Cc1sc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000269182573 372367727 /nfs/dbraw/zinc/36/77/27/372367727.db2.gz ILJJQHGDDFNXIM-WPRPVWTQSA-N 1 0 297.380 2.083 20 5 CEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269413620 372443471 /nfs/dbraw/zinc/44/34/71/372443471.db2.gz XNLIAYUBWNRMFP-GXSJLCMTSA-N 1 0 298.774 2.420 20 5 CEBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000344432276 217190411 /nfs/dbraw/zinc/19/04/11/217190411.db2.gz HIRBBTPDMDXSBB-LBPRGKRZSA-N 1 0 264.329 2.276 20 5 CEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270085214 372659047 /nfs/dbraw/zinc/65/90/47/372659047.db2.gz JPIBZGMVEDQPLM-SWLSCSKDSA-N 1 0 294.351 2.066 20 5 CEBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270063029 372652891 /nfs/dbraw/zinc/65/28/91/372652891.db2.gz HFVKDBPJXZBVIM-QWRGUYRKSA-N 1 0 270.354 2.249 20 5 CEBDRO C[C@H]1CC[N@H+](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353436138 220081169 /nfs/dbraw/zinc/08/11/69/220081169.db2.gz BEEKBSMINGZGOA-LBPRGKRZSA-N 1 0 263.341 2.121 20 5 CEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCC1 ZINC000353509564 220125132 /nfs/dbraw/zinc/12/51/32/220125132.db2.gz HQSQFJCQIWYYAT-UHFFFAOYSA-N 1 0 291.307 2.083 20 5 CEBDRO CC[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505322 299442872 /nfs/dbraw/zinc/44/28/72/299442872.db2.gz DYNPDFRUMSAILV-ZWNOBZJWSA-N 1 0 264.325 2.333 20 5 CEBDRO CC[N@H+](CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000272773410 373651344 /nfs/dbraw/zinc/65/13/44/373651344.db2.gz FZDLFNOUDLYNFB-UHFFFAOYSA-N 1 0 293.323 2.026 20 5 CEBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371159610 373803278 /nfs/dbraw/zinc/80/32/78/373803278.db2.gz FIPCMNODIABHBB-YIONKMFJSA-N 1 0 276.336 2.473 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H](C)C1 ZINC000371893152 374000686 /nfs/dbraw/zinc/00/06/86/374000686.db2.gz DORJRJYLVBLYKN-NSHDSACASA-N 1 0 264.325 2.372 20 5 CEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000274998688 374120595 /nfs/dbraw/zinc/12/05/95/374120595.db2.gz GAIWUEYRQQDBLV-IUODEOHRSA-N 1 0 277.368 2.367 20 5 CEBDRO O=C(C[C@H]1CCC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000372409415 374120872 /nfs/dbraw/zinc/12/08/72/374120872.db2.gz SACZXMAHICSULE-NSHDSACASA-N 1 0 277.324 2.313 20 5 CEBDRO CCOc1cc(C[N@H+](C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000276984418 374369142 /nfs/dbraw/zinc/36/91/42/374369142.db2.gz YYWFKHSPBLCBRY-UHFFFAOYSA-N 1 0 282.340 2.196 20 5 CEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc([N+](=O)[O-])c1 ZINC000373928765 374449870 /nfs/dbraw/zinc/44/98/70/374449870.db2.gz HKSHOVGTYGOABU-WDEREUQCSA-N 1 0 295.364 2.013 20 5 CEBDRO C[C@H]1CCOCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000378496495 375115872 /nfs/dbraw/zinc/11/58/72/375115872.db2.gz KJBKTWRHHFDFFU-NSHDSACASA-N 1 0 250.298 2.206 20 5 CEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000385756070 375242448 /nfs/dbraw/zinc/24/24/48/375242448.db2.gz WZMDEJSYNAHOKP-KBPBESRZSA-N 1 0 278.352 2.496 20 5 CEBDRO Cc1c(C[N@H+]2CC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000385897439 375248228 /nfs/dbraw/zinc/24/82/28/375248228.db2.gz OCYJJVXNBFTJAM-DGCLKSJQSA-N 1 0 264.325 2.106 20 5 CEBDRO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1O ZINC000388009251 375282908 /nfs/dbraw/zinc/28/29/08/375282908.db2.gz GRUIPJZMKBIGQJ-PRHODGIISA-N 1 0 270.716 2.061 20 5 CEBDRO CC[C@@H]([NH2+]C(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388394742 375290467 /nfs/dbraw/zinc/29/04/67/375290467.db2.gz GSCVHLFMZDKGJJ-CQSZACIVSA-N 1 0 282.340 2.297 20 5 CEBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408310342 375449671 /nfs/dbraw/zinc/44/96/71/375449671.db2.gz RKZNIFKJGNMHQN-UTUOFQBUSA-N 1 0 278.356 2.481 20 5 CEBDRO C[C@H]1OCCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282653598 375541283 /nfs/dbraw/zinc/54/12/83/375541283.db2.gz CNUKSZMWNWQPRN-VHSXEESVSA-N 1 0 268.288 2.343 20 5 CEBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)cccc1[N+](=O)[O-] ZINC000282851288 375594166 /nfs/dbraw/zinc/59/41/66/375594166.db2.gz UCYJKMHOZWLWLF-QWRGUYRKSA-N 1 0 297.330 2.028 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414535670 375840814 /nfs/dbraw/zinc/84/08/14/375840814.db2.gz WQKDHPJUEXPQBC-UONOGXRCSA-N 1 0 266.341 2.480 20 5 CEBDRO Cc1ccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000414654486 375902865 /nfs/dbraw/zinc/90/28/65/375902865.db2.gz GCZRBPNJCMPAEC-GHMZBOCLSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414662959 375906657 /nfs/dbraw/zinc/90/66/57/375906657.db2.gz RSHGLDXHJZSJIY-GHMZBOCLSA-N 1 0 292.339 2.295 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000414665333 375908293 /nfs/dbraw/zinc/90/82/93/375908293.db2.gz VGILJUWGUMGKSB-AWEZNQCLSA-N 1 0 294.355 2.398 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414766173 375956813 /nfs/dbraw/zinc/95/68/13/375956813.db2.gz HARHXSRMMVPWAL-XHDPSFHLSA-N 1 0 277.368 2.462 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414777869 375964039 /nfs/dbraw/zinc/96/40/39/375964039.db2.gz OZVPLADZNHJEMU-CQSZACIVSA-N 1 0 281.331 2.037 20 5 CEBDRO CC(C)[C@H]([NH3+])CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414795133 375978458 /nfs/dbraw/zinc/97/84/58/375978458.db2.gz MQLIFDHMICEBNZ-SCXUMTSISA-N 1 0 263.341 2.181 20 5 CEBDRO CN(c1cc(N)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286356243 375924115 /nfs/dbraw/zinc/92/41/15/375924115.db2.gz LRYRLGCJQAGIQG-FUNVUKJBSA-N 1 0 290.367 2.238 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000286377883 375931863 /nfs/dbraw/zinc/93/18/63/375931863.db2.gz YZAKNIVVQHUBAG-WFASDCNBSA-N 1 0 294.351 2.114 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[N@@H+]1CCCOCC1 ZINC000286733386 376048954 /nfs/dbraw/zinc/04/89/54/376048954.db2.gz QIPNMXIPPBOWDL-UHFFFAOYSA-N 1 0 299.758 2.382 20 5 CEBDRO CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000286568165 375998409 /nfs/dbraw/zinc/99/84/09/375998409.db2.gz RFJACRBJBRTHEF-NWDGAFQWSA-N 1 0 299.371 2.216 20 5 CEBDRO CCC([NH3+])(CC)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414806150 375990719 /nfs/dbraw/zinc/99/07/19/375990719.db2.gz PTLZXWYAQLMZLP-UHFFFAOYSA-N 1 0 281.356 2.211 20 5 CEBDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316236 376187353 /nfs/dbraw/zinc/18/73/53/376187353.db2.gz UCNDRQGULFUBOM-YGRLFVJLSA-N 1 0 291.351 2.216 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287420941 376227845 /nfs/dbraw/zinc/22/78/45/376227845.db2.gz SFIRUENLHWUMQV-GFCCVEGCSA-N 1 0 296.367 2.341 20 5 CEBDRO Cc1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000289999878 376596430 /nfs/dbraw/zinc/59/64/30/376596430.db2.gz YCIHSWXLGRSQQM-UHFFFAOYSA-N 1 0 292.364 2.395 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000311402064 376669123 /nfs/dbraw/zinc/66/91/23/376669123.db2.gz GETKKNZSBMGLBF-NSHDSACASA-N 1 0 266.345 2.439 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000264479347 190112902 /nfs/dbraw/zinc/11/29/02/190112902.db2.gz ZNDRCLFTWARLEE-SMDDNHRTSA-N 1 0 294.351 2.339 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC000313802916 376754111 /nfs/dbraw/zinc/75/41/11/376754111.db2.gz GLXUFERDEZCWMC-LLVKDONJSA-N 1 0 295.387 2.406 20 5 CEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319988925 376819817 /nfs/dbraw/zinc/81/98/17/376819817.db2.gz ACZXJPIGLWBYSM-HTQZYQBOSA-N 1 0 285.731 2.104 20 5 CEBDRO C[C@H](NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000423017616 376933398 /nfs/dbraw/zinc/93/33/98/376933398.db2.gz WUXBJQPEVSFMRU-WFASDCNBSA-N 1 0 277.368 2.258 20 5 CEBDRO C[C@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000290831888 376945584 /nfs/dbraw/zinc/94/55/84/376945584.db2.gz URXBELLAUQPDTA-ONGXEEELSA-N 1 0 276.340 2.214 20 5 CEBDRO CO[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291015263 377032075 /nfs/dbraw/zinc/03/20/75/377032075.db2.gz FRNHVNMPQUJBJT-AWEZNQCLSA-N 1 0 264.325 2.500 20 5 CEBDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423142933 377042862 /nfs/dbraw/zinc/04/28/62/377042862.db2.gz BTLMLTQSBUFBID-MJVIPROJSA-N 1 0 263.341 2.386 20 5 CEBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291150274 377092206 /nfs/dbraw/zinc/09/22/06/377092206.db2.gz DPCXRWKLNHSIMW-LBPRGKRZSA-N 1 0 282.340 2.330 20 5 CEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264765482 190133345 /nfs/dbraw/zinc/13/33/45/190133345.db2.gz NNEGHSKEFOOZPQ-LLVKDONJSA-N 1 0 297.380 2.261 20 5 CEBDRO Cc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423232838 377151117 /nfs/dbraw/zinc/15/11/17/377151117.db2.gz ITHZGDDTBBZLLV-WCQYABFASA-N 1 0 263.341 2.306 20 5 CEBDRO Cc1c([C@H](C)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423244441 377164853 /nfs/dbraw/zinc/16/48/53/377164853.db2.gz XMMLOUIQBRFZRL-NWDGAFQWSA-N 1 0 263.341 2.306 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CCC[NH2+]1)CCC2 ZINC000423245884 377165816 /nfs/dbraw/zinc/16/58/16/377165816.db2.gz YXGLDKCDBUFBFR-IUODEOHRSA-N 1 0 275.352 2.314 20 5 CEBDRO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[S@](C)=O ZINC000563415590 377215578 /nfs/dbraw/zinc/21/55/78/377215578.db2.gz DJTCDSQDPDRVBX-MZJFNTNISA-N 1 0 296.392 2.329 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000563421689 377218845 /nfs/dbraw/zinc/21/88/45/377218845.db2.gz PWSWGWOGUNYWHE-QWRGUYRKSA-N 1 0 279.340 2.498 20 5 CEBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000330998220 377229517 /nfs/dbraw/zinc/22/95/17/377229517.db2.gz IYBICPBQJDZNCN-GJZGRUSLSA-N 1 0 278.352 2.278 20 5 CEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000331135120 377295733 /nfs/dbraw/zinc/29/57/33/377295733.db2.gz IAHQLYFMVBUTQE-JTNHKYCSSA-N 1 0 264.325 2.359 20 5 CEBDRO CC[C@@]1(O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000425917195 377388426 /nfs/dbraw/zinc/38/84/26/377388426.db2.gz JWZIHPTXWIQYHL-CQSZACIVSA-N 1 0 264.325 2.250 20 5 CEBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000293045551 377405841 /nfs/dbraw/zinc/40/58/41/377405841.db2.gz RDDRXAZFEYISLS-GFCCVEGCSA-N 1 0 252.314 2.234 20 5 CEBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000293167590 377454591 /nfs/dbraw/zinc/45/45/91/377454591.db2.gz VYIOWEFAPDXSFY-SMDDNHRTSA-N 1 0 264.325 2.236 20 5 CEBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1Cl ZINC000265063494 190155080 /nfs/dbraw/zinc/15/50/80/190155080.db2.gz UCEIFEQJWGQEKI-NSHDSACASA-N 1 0 273.720 2.024 20 5 CEBDRO CC(=O)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000265023415 190153159 /nfs/dbraw/zinc/15/31/59/190153159.db2.gz YQCLVGFGOVIQAF-LBPRGKRZSA-N 1 0 291.351 2.185 20 5 CEBDRO Cc1noc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332078316 377512298 /nfs/dbraw/zinc/51/22/98/377512298.db2.gz HLECMWIHBFULIO-GFCCVEGCSA-N 1 0 288.307 2.276 20 5 CEBDRO C[NH2+]CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430953384 377574413 /nfs/dbraw/zinc/57/44/13/377574413.db2.gz BSMDMENZDGWPCS-UHFFFAOYSA-N 1 0 281.331 2.165 20 5 CEBDRO Cc1sc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000293546242 377620352 /nfs/dbraw/zinc/62/03/52/377620352.db2.gz WHQLAWTYUKUPJO-MRVPVSSYSA-N 1 0 285.369 2.212 20 5 CEBDRO Cc1nocc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293689170 377699767 /nfs/dbraw/zinc/69/97/67/377699767.db2.gz WFMOAUFTFJFODY-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000294042007 377884036 /nfs/dbraw/zinc/88/40/36/377884036.db2.gz OZHWCZSAFPKQIN-ZDUSSCGKSA-N 1 0 278.352 2.498 20 5 CEBDRO C[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294091865 377901141 /nfs/dbraw/zinc/90/11/41/377901141.db2.gz LVAKSFXEZBSTNM-QMMMGPOBSA-N 1 0 292.257 2.426 20 5 CEBDRO C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294320005 377979256 /nfs/dbraw/zinc/97/92/56/377979256.db2.gz OHPKBNZXUADGNG-MFKMUULPSA-N 1 0 293.367 2.379 20 5 CEBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@H]1C ZINC000443515063 378058362 /nfs/dbraw/zinc/05/83/62/378058362.db2.gz JDUGIPDOIHKPJX-NXEZZACHSA-N 1 0 284.385 2.148 20 5 CEBDRO CCC[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295293348 378089371 /nfs/dbraw/zinc/08/93/71/378089371.db2.gz JLWQJPUOHIGAAC-AWEZNQCLSA-N 1 0 266.341 2.230 20 5 CEBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)CO ZINC000295300305 378092616 /nfs/dbraw/zinc/09/26/16/378092616.db2.gz UYCAYJIFGQXEQB-UHFFFAOYSA-N 1 0 288.294 2.323 20 5 CEBDRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295450130 378163187 /nfs/dbraw/zinc/16/31/87/378163187.db2.gz WOEGXXDUOASEIA-NSHDSACASA-N 1 0 291.351 2.114 20 5 CEBDRO Cc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450314723 378352196 /nfs/dbraw/zinc/35/21/96/378352196.db2.gz CMWOMYCVZBVHKP-LLVKDONJSA-N 1 0 291.355 2.122 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C1CC1 ZINC000296068826 378408606 /nfs/dbraw/zinc/40/86/06/378408606.db2.gz WMBGHRUXPYJYLH-HZSPNIEDSA-N 1 0 276.336 2.029 20 5 CEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000296088844 378414525 /nfs/dbraw/zinc/41/45/25/378414525.db2.gz XZGUTXNORIATKB-JLLWLGSASA-N 1 0 280.324 2.167 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)cn1 ZINC000450487940 378446181 /nfs/dbraw/zinc/44/61/81/378446181.db2.gz FIYVIMZGDCQTIQ-UHFFFAOYSA-N 1 0 262.313 2.030 20 5 CEBDRO Cc1cnc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450953436 378660258 /nfs/dbraw/zinc/66/02/58/378660258.db2.gz KXPQWHCXPGJABS-GFCCVEGCSA-N 1 0 278.356 2.217 20 5 CEBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000266154231 190235602 /nfs/dbraw/zinc/23/56/02/190235602.db2.gz LMUHKIJHOMMKKF-AWEZNQCLSA-N 1 0 276.292 2.185 20 5 CEBDRO COc1cc([N+](=O)[O-])ccc1CN(C(C)C)C1COC1 ZINC000451119774 378714269 /nfs/dbraw/zinc/71/42/69/378714269.db2.gz HNMWIHGLZIOZSQ-UHFFFAOYSA-N 1 0 280.324 2.213 20 5 CEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000266209717 190240444 /nfs/dbraw/zinc/24/04/44/190240444.db2.gz MOIFMGNASGDXMO-GFCCVEGCSA-N 1 0 278.356 2.158 20 5 CEBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000278483347 194005754 /nfs/dbraw/zinc/00/57/54/194005754.db2.gz JVFMOGWLGZMCDA-AWEZNQCLSA-N 1 0 262.309 2.420 20 5 CEBDRO Cn1nccc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278526763 194028172 /nfs/dbraw/zinc/02/81/72/194028172.db2.gz DJJKXDWTUGWCSF-UHFFFAOYSA-N 1 0 274.324 2.003 20 5 CEBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453373577 378877200 /nfs/dbraw/zinc/87/72/00/378877200.db2.gz SKRKXWNQSAQQSK-SCRDCRAPSA-N 1 0 291.351 2.290 20 5 CEBDRO COCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000299229277 378937154 /nfs/dbraw/zinc/93/71/54/378937154.db2.gz FPFNIPHXMFAAEU-UHFFFAOYSA-N 1 0 279.340 2.118 20 5 CEBDRO [NH3+]C[C@@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347114080 218125775 /nfs/dbraw/zinc/12/57/75/218125775.db2.gz RYGJBVQEBDADPW-YIALFULDSA-N 1 0 261.325 2.031 20 5 CEBDRO CC(C)[N@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347232318 218162946 /nfs/dbraw/zinc/16/29/46/218162946.db2.gz LVNWXENTSFQCEW-UHFFFAOYSA-N 1 0 298.318 2.196 20 5 CEBDRO CN(Cc1cnc2cnccn12)Cc1ccccc1[N+](=O)[O-] ZINC000507135955 379096807 /nfs/dbraw/zinc/09/68/07/379096807.db2.gz VXXZBLFFFIZWIL-UHFFFAOYSA-N 1 0 297.318 2.270 20 5 CEBDRO COc1cc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000301625913 379293251 /nfs/dbraw/zinc/29/32/51/379293251.db2.gz QBELRVZKBNUNPW-UHFFFAOYSA-N 1 0 297.330 2.273 20 5 CEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000457069333 379650195 /nfs/dbraw/zinc/65/01/95/379650195.db2.gz FKYSWKUEPQYYTI-UHFFFAOYSA-N 1 0 291.351 2.199 20 5 CEBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305206583 379683316 /nfs/dbraw/zinc/68/33/16/379683316.db2.gz YEDHTKDJNUVZFN-BXUZGUMPSA-N 1 0 264.325 2.188 20 5 CEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457087080 379659392 /nfs/dbraw/zinc/65/93/92/379659392.db2.gz PSWYRTPMPSJGJG-AWEZNQCLSA-N 1 0 291.351 2.150 20 5 CEBDRO CN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000540515217 380253399 /nfs/dbraw/zinc/25/33/99/380253399.db2.gz BSTSCEJVKXVAHP-UHFFFAOYSA-N 1 0 299.758 2.272 20 5 CEBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000490045816 380231126 /nfs/dbraw/zinc/23/11/26/380231126.db2.gz HMLUTLBUHAMKJY-AWEZNQCLSA-N 1 0 294.351 2.141 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C(C)(C)C1 ZINC000555532957 380832168 /nfs/dbraw/zinc/83/21/68/380832168.db2.gz BDKYYGZRHZXNRL-UHFFFAOYSA-N 1 0 291.351 2.069 20 5 CEBDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223777 194339731 /nfs/dbraw/zinc/33/97/31/194339731.db2.gz IINWHBIAQHYKGF-FZMZJTMJSA-N 1 0 291.351 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)nc1 ZINC000281066686 195091420 /nfs/dbraw/zinc/09/14/20/195091420.db2.gz ZVCNDADTBDWXJE-UHFFFAOYSA-N 1 0 262.313 2.030 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261859903 285088736 /nfs/dbraw/zinc/08/87/36/285088736.db2.gz XQUYHXSOZBPWAR-CMPLNLGQSA-N 1 0 295.770 2.290 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302815884 285118963 /nfs/dbraw/zinc/11/89/63/285118963.db2.gz KYGGOVNRHMUUJT-LLVKDONJSA-N 1 0 265.288 2.018 20 5 CEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCC[NH2+]C1)CCC2 ZINC000332197861 285144320 /nfs/dbraw/zinc/14/43/20/285144320.db2.gz DZPSAJKIBBIBNI-DOMZBBRYSA-N 1 0 275.352 2.314 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000287519490 285156483 /nfs/dbraw/zinc/15/64/83/285156483.db2.gz ZVDMIEQVLHFACQ-LLVKDONJSA-N 1 0 277.299 2.184 20 5 CEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+](C)C ZINC000288438367 197078334 /nfs/dbraw/zinc/07/83/34/197078334.db2.gz NBDMZGSUYFEJBP-SECBINFHSA-N 1 0 265.313 2.159 20 5 CEBDRO CC[C@@H](C)N(CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433732 195239286 /nfs/dbraw/zinc/23/92/86/195239286.db2.gz ZSUSFOPKAFKYDF-LLVKDONJSA-N 1 0 280.324 2.368 20 5 CEBDRO CCN(CCC[NH+](C)C)c1nc(C)ccc1[N+](=O)[O-] ZINC000190290593 130084956 /nfs/dbraw/zinc/08/49/56/130084956.db2.gz XBPQGMAFMXGEGQ-UHFFFAOYSA-N 1 0 266.345 2.076 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOCC(F)F ZINC000190889772 130158575 /nfs/dbraw/zinc/15/85/75/130158575.db2.gz HVSZSJSWZCSGBX-UHFFFAOYSA-N 1 0 274.267 2.275 20 5 CEBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000191283339 130214873 /nfs/dbraw/zinc/21/48/73/130214873.db2.gz CCOBWTFAOAZSSL-GHMZBOCLSA-N 1 0 264.325 2.329 20 5 CEBDRO CO[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000224148356 130800049 /nfs/dbraw/zinc/80/00/49/130800049.db2.gz JSWYZOABEIAEPE-QMMMGPOBSA-N 1 0 258.705 2.373 20 5 CEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237322221 131023599 /nfs/dbraw/zinc/02/35/99/131023599.db2.gz YLHSVJAPOKULGC-SCZZXKLOSA-N 1 0 297.380 2.164 20 5 CEBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237458441 131032961 /nfs/dbraw/zinc/03/29/61/131032961.db2.gz CBBWWCFMAMAYTN-CYZMBNFOSA-N 1 0 291.351 2.208 20 5 CEBDRO C[C@](C[NH3+])(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000237612690 131046742 /nfs/dbraw/zinc/04/67/42/131046742.db2.gz PQAFIAHIYFEPJK-CYBMUJFWSA-N 1 0 297.742 2.105 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCOC1 ZINC000237952870 131068482 /nfs/dbraw/zinc/06/84/82/131068482.db2.gz HUWQXZNASULERJ-YIALFULDSA-N 1 0 262.309 2.377 20 5 CEBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000252701348 131137355 /nfs/dbraw/zinc/13/73/55/131137355.db2.gz CWLKCDCIGXLIPB-JOCQHMNTSA-N 1 0 264.325 2.296 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261745607 131166396 /nfs/dbraw/zinc/16/63/96/131166396.db2.gz MKDVFZLAJCMBSC-LLVKDONJSA-N 1 0 277.324 2.374 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261976714 131180078 /nfs/dbraw/zinc/18/00/78/131180078.db2.gz NWGGTCPWELWXKR-CMPLNLGQSA-N 1 0 277.324 2.359 20 5 CEBDRO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420955341 394453475 /nfs/dbraw/zinc/45/34/75/394453475.db2.gz LIEQKXSWWGGIPI-DGCLKSJQSA-N 1 0 291.351 2.175 20 5 CEBDRO CCOC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000044691238 394508186 /nfs/dbraw/zinc/50/81/86/394508186.db2.gz UZUCMDBLCMLFAF-NSHDSACASA-N 1 0 252.314 2.418 20 5 CEBDRO CC(C)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000067948679 394581158 /nfs/dbraw/zinc/58/11/58/394581158.db2.gz RFHLFOGDBZRKOS-UHFFFAOYSA-N 1 0 263.341 2.373 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000421768479 394587106 /nfs/dbraw/zinc/58/71/06/394587106.db2.gz FDYMWXAOOCXFJW-GFCCVEGCSA-N 1 0 293.367 2.282 20 5 CEBDRO C[NH+](C)CC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000308645691 394529826 /nfs/dbraw/zinc/52/98/26/394529826.db2.gz AIYKCFVXFMNDCF-UHFFFAOYSA-N 1 0 255.293 2.486 20 5 CEBDRO CC[NH+](CC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000049412024 394546727 /nfs/dbraw/zinc/54/67/27/394546727.db2.gz GWVVXBJLIITIRU-UHFFFAOYSA-N 1 0 265.313 2.184 20 5 CEBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356174356 394553966 /nfs/dbraw/zinc/55/39/66/394553966.db2.gz SZYGJSCIYNXCJV-SNVBAGLBSA-N 1 0 296.346 2.460 20 5 CEBDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394128 394660788 /nfs/dbraw/zinc/66/07/88/394660788.db2.gz LPNQNTJOSJTDMV-GXFFZTMASA-N 1 0 252.314 2.262 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000356825571 394624232 /nfs/dbraw/zinc/62/42/32/394624232.db2.gz USCSVYCUTXLODA-LBPRGKRZSA-N 1 0 293.367 2.362 20 5 CEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000356837073 394628079 /nfs/dbraw/zinc/62/80/79/394628079.db2.gz CXSBWESVBCGQTK-STQMWFEESA-N 1 0 294.351 2.378 20 5 CEBDRO CN(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737024 394638744 /nfs/dbraw/zinc/63/87/44/394638744.db2.gz VYIHLTHPMYDHST-CQSZACIVSA-N 1 0 263.341 2.123 20 5 CEBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405774 394639981 /nfs/dbraw/zinc/63/99/81/394639981.db2.gz IRINLVXCLMIAHI-IUODEOHRSA-N 1 0 294.351 2.209 20 5 CEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000264473432 394640556 /nfs/dbraw/zinc/64/05/56/394640556.db2.gz RIJKDYYAAAOOFW-LLVKDONJSA-N 1 0 252.314 2.186 20 5 CEBDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000357008807 394680569 /nfs/dbraw/zinc/68/05/69/394680569.db2.gz UXNGPHLQDGGMFD-RYUDHWBXSA-N 1 0 293.367 2.128 20 5 CEBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963660 394716825 /nfs/dbraw/zinc/71/68/25/394716825.db2.gz REWPPHCKZACSLO-CMPLNLGQSA-N 1 0 250.298 2.424 20 5 CEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)O ZINC000271134279 394747715 /nfs/dbraw/zinc/74/77/15/394747715.db2.gz MSGQLUMHRZPVTK-WDEREUQCSA-N 1 0 284.381 2.436 20 5 CEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270107105 394726086 /nfs/dbraw/zinc/72/60/86/394726086.db2.gz MBXBAKZUHQXINV-OCCSQVGLSA-N 1 0 264.325 2.188 20 5 CEBDRO C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000414862378 394775852 /nfs/dbraw/zinc/77/58/52/394775852.db2.gz XNIQOVZDUVGQSE-MWLCHTKSSA-N 1 0 269.370 2.134 20 5 CEBDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000422946412 394869127 /nfs/dbraw/zinc/86/91/27/394869127.db2.gz ONHVAMVOKMQFCE-KGLIPLIRSA-N 1 0 263.341 2.344 20 5 CEBDRO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362091017 394844882 /nfs/dbraw/zinc/84/48/82/394844882.db2.gz QZJPQHGGVRSAHT-VHSXEESVSA-N 1 0 284.743 2.308 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415290557 394919420 /nfs/dbraw/zinc/91/94/20/394919420.db2.gz DSCWLUGXXPMJDV-UWVGGRQHSA-N 1 0 280.328 2.069 20 5 CEBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000415413230 394929247 /nfs/dbraw/zinc/92/92/47/394929247.db2.gz DIYMYRBNOVMIMC-CMPLNLGQSA-N 1 0 292.339 2.104 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415478201 394935898 /nfs/dbraw/zinc/93/58/98/394935898.db2.gz CSFXSXWTHZFVFU-LLVKDONJSA-N 1 0 292.339 2.037 20 5 CEBDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851447 395002897 /nfs/dbraw/zinc/00/28/97/395002897.db2.gz SCUTVKXXJIOCTC-LLVKDONJSA-N 1 0 299.758 2.238 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415770039 394962435 /nfs/dbraw/zinc/96/24/35/394962435.db2.gz XYSBYQAPWCIHQZ-CABZTGNLSA-N 1 0 292.339 2.111 20 5 CEBDRO C[C@@H]1CC[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000346399870 395098316 /nfs/dbraw/zinc/09/83/16/395098316.db2.gz GJYKNMFZTRYKDG-SECBINFHSA-N 1 0 284.747 2.174 20 5 CEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494477671 395116559 /nfs/dbraw/zinc/11/65/59/395116559.db2.gz SVFWZKMDGWBPQQ-KMVAXQJASA-N 1 0 276.336 2.357 20 5 CEBDRO COC(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000347197968 395120680 /nfs/dbraw/zinc/12/06/80/395120680.db2.gz IITNFIRUQBMYMI-RISCZKNCSA-N 1 0 292.335 2.021 20 5 CEBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174867174 395128664 /nfs/dbraw/zinc/12/86/64/395128664.db2.gz YTUFVQIQYNFRMF-ZDUSSCGKSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1cnc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420273018 395287535 /nfs/dbraw/zinc/28/75/35/395287535.db2.gz DUMAIAFKOKBCFQ-GHMZBOCLSA-N 1 0 264.329 2.228 20 5 CEBDRO CN(CC[NH3+])c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420288213 395296969 /nfs/dbraw/zinc/29/69/69/395296969.db2.gz SLLREIFCLFOZBQ-UHFFFAOYSA-N 1 0 264.112 2.297 20 5 CEBDRO C[C@H]1C[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358229 395298794 /nfs/dbraw/zinc/29/87/94/395298794.db2.gz DQLGFKROSCVHBZ-NWDGAFQWSA-N 1 0 291.351 2.163 20 5 CEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@H]2C2CCC2)n1 ZINC000419364226 395264804 /nfs/dbraw/zinc/26/48/04/395264804.db2.gz POZCXFKYLVQUOH-LBPRGKRZSA-N 1 0 296.396 2.009 20 5 CEBDRO Cc1ccc(C[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184376486 395271999 /nfs/dbraw/zinc/27/19/99/395271999.db2.gz MDXNZMWKRSZIRT-UHFFFAOYSA-N 1 0 264.325 2.155 20 5 CEBDRO COc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000420629437 395393132 /nfs/dbraw/zinc/39/31/32/395393132.db2.gz CFPKZUQGUGAZBM-LLVKDONJSA-N 1 0 279.340 2.134 20 5 CEBDRO COc1ccc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000420359133 395346266 /nfs/dbraw/zinc/34/62/66/395346266.db2.gz FZNVZFOEEZDFSB-FIXISWKDSA-N 1 0 293.367 2.080 20 5 CEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444704462 395447117 /nfs/dbraw/zinc/44/71/17/395447117.db2.gz LISDTMVQFZIBIA-XPTSAGLGSA-N 1 0 290.323 2.128 20 5 CEBDRO CC(C)[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000194362474 395433590 /nfs/dbraw/zinc/43/35/90/395433590.db2.gz CTWRVFPNRAUPIE-ZDUSSCGKSA-N 1 0 296.367 2.453 20 5 CEBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCCC(C)(C)C1 ZINC000446062547 395480453 /nfs/dbraw/zinc/48/04/53/395480453.db2.gz QCJLDPITGOIMDJ-UHFFFAOYSA-N 1 0 266.345 2.340 20 5 CEBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449508283 395551905 /nfs/dbraw/zinc/55/19/05/395551905.db2.gz UXSGCBITSIFMIB-SMDDNHRTSA-N 1 0 264.325 2.452 20 5 CEBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000449534962 395553676 /nfs/dbraw/zinc/55/36/76/395553676.db2.gz CRSUUAKPRFNVMO-FXSSULRXSA-N 1 0 264.325 2.357 20 5 CEBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)O ZINC000449544286 395554396 /nfs/dbraw/zinc/55/43/96/395554396.db2.gz QEMPRTRHRVEFKE-GWCFXTLKSA-N 1 0 252.314 2.152 20 5 CEBDRO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000153804270 400282744 /nfs/dbraw/zinc/28/27/44/400282744.db2.gz TUYFPFBYAQWDLI-AWEZNQCLSA-N 1 0 291.351 2.007 20 5 CEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000359924972 155171398 /nfs/dbraw/zinc/17/13/98/155171398.db2.gz PSISDALYYUQJOQ-SKDRFNHKSA-N 1 0 288.307 2.310 20 5 CEBDRO CCc1nn(C)c(NCC[N@@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000220525255 153306982 /nfs/dbraw/zinc/30/69/82/153306982.db2.gz FPEPDWPVCLPEHI-SNVBAGLBSA-N 1 0 283.376 2.033 20 5 CEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)C(C)C ZINC000234207965 153419218 /nfs/dbraw/zinc/41/92/18/153419218.db2.gz XWUPOOCCOJZBAZ-UHFFFAOYSA-N 1 0 283.376 2.262 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070176730 292292570 /nfs/dbraw/zinc/29/25/70/292292570.db2.gz UCGPQAWYNZFYGE-FZMZJTMJSA-N 1 0 291.351 2.103 20 5 CEBDRO Cc1cc(N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302757882 154190708 /nfs/dbraw/zinc/19/07/08/154190708.db2.gz JGPYKGZISOSEAA-UHFFFAOYSA-N 1 0 261.325 2.188 20 5 CEBDRO CC(C)COCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367050440 156121044 /nfs/dbraw/zinc/12/10/44/156121044.db2.gz PELHXESBBLPRRY-ZDUSSCGKSA-N 1 0 296.371 2.101 20 5 CEBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000367479342 156191639 /nfs/dbraw/zinc/19/16/39/156191639.db2.gz UYTNFZLTHBATLG-LBPRGKRZSA-N 1 0 278.356 2.303 20 5 CEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)ccc1Cl ZINC000367587023 156207808 /nfs/dbraw/zinc/20/78/08/156207808.db2.gz QYCGIRIPJKXGOZ-RTCCRHLQSA-N 1 0 282.727 2.230 20 5 CEBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000368075086 156277953 /nfs/dbraw/zinc/27/79/53/156277953.db2.gz PWFYLLKXOQZRHP-HNNXBMFYSA-N 1 0 278.352 2.435 20 5 CEBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000368527506 156362450 /nfs/dbraw/zinc/36/24/50/156362450.db2.gz UFPVYJLVIBONIA-LBPRGKRZSA-N 1 0 296.302 2.044 20 5 CEBDRO CCc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000368717428 156392941 /nfs/dbraw/zinc/39/29/41/156392941.db2.gz AZSFPYGCHYLYBJ-ZDUSSCGKSA-N 1 0 291.351 2.029 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000376382553 157216229 /nfs/dbraw/zinc/21/62/29/157216229.db2.gz DWUJBHYLWSEUPU-VIFPVBQESA-N 1 0 297.742 2.120 20 5 CEBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174818814 165119664 /nfs/dbraw/zinc/11/96/64/165119664.db2.gz IRGAJLJUZLBYBU-NEPJUHHUSA-N 1 0 266.345 2.302 20 5 CEBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000261596927 165501582 /nfs/dbraw/zinc/50/15/82/165501582.db2.gz XYVGWSAVPVEKFX-LBPRGKRZSA-N 1 0 279.340 2.006 20 5 CEBDRO CCOCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254337 196013477 /nfs/dbraw/zinc/01/34/77/196013477.db2.gz VVBAFDYHRNMWCJ-JTQLQIEISA-N 1 0 267.329 2.254 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035247562 172078936 /nfs/dbraw/zinc/07/89/36/172078936.db2.gz NMWPTKWMYLGNSW-MFKMUULPSA-N 1 0 280.324 2.261 20 5 CEBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338430 196254562 /nfs/dbraw/zinc/25/45/62/196254562.db2.gz URMGKHKYQXZCMA-AEJSXWLSSA-N 1 0 267.329 2.251 20 5 CEBDRO COc1ccc(C[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035733598 172384944 /nfs/dbraw/zinc/38/49/44/172384944.db2.gz TXXHDAQYOYWFEX-VIFPVBQESA-N 1 0 250.298 2.492 20 5 CEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc(N)c1 ZINC000285371877 196264519 /nfs/dbraw/zinc/26/45/19/196264519.db2.gz QZUAYBQIEPEDIK-UHFFFAOYSA-N 1 0 286.335 2.247 20 5 CEBDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037249547 173062075 /nfs/dbraw/zinc/06/20/75/173062075.db2.gz GVSHKOXOOBJWHK-LLVKDONJSA-N 1 0 263.341 2.340 20 5 CEBDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040600679 174350950 /nfs/dbraw/zinc/35/09/50/174350950.db2.gz DVTLCESMTYBYNT-NSHDSACASA-N 1 0 281.331 2.165 20 5 CEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044498903 175184781 /nfs/dbraw/zinc/18/47/81/175184781.db2.gz LISFQYSLGDJOLX-JTQLQIEISA-N 1 0 260.297 2.179 20 5 CEBDRO Cc1c(CN2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531291 175195941 /nfs/dbraw/zinc/19/59/41/175195941.db2.gz QBTZHXJWLYLMFD-GFCCVEGCSA-N 1 0 263.341 2.074 20 5 CEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000044572274 175209693 /nfs/dbraw/zinc/20/96/93/175209693.db2.gz ACIOFZAJDXKTRG-JTQLQIEISA-N 1 0 252.318 2.132 20 5 CEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070177506 175879860 /nfs/dbraw/zinc/87/98/60/175879860.db2.gz JFDMPKYCAMUESU-SMDDNHRTSA-N 1 0 293.367 2.163 20 5 CEBDRO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000070574049 175989184 /nfs/dbraw/zinc/98/91/84/175989184.db2.gz BOOZRVRKNOZIPI-ZJUUUORDSA-N 1 0 263.297 2.051 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CC2)c(Cl)c1 ZINC000071304612 176115226 /nfs/dbraw/zinc/11/52/26/176115226.db2.gz KCTMJOJMGOJVRS-GFCCVEGCSA-N 1 0 270.716 2.109 20 5 CEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CC[NH2+]C1 ZINC000071315290 176121715 /nfs/dbraw/zinc/12/17/15/176121715.db2.gz SJMGYUZWGODGPX-ZDUSSCGKSA-N 1 0 291.351 2.117 20 5 CEBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000071333258 176126020 /nfs/dbraw/zinc/12/60/20/176126020.db2.gz JJNWOQQDMJBHKV-LLVKDONJSA-N 1 0 274.324 2.488 20 5 CEBDRO COCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000076496734 177029005 /nfs/dbraw/zinc/02/90/05/177029005.db2.gz XKWVAGZHOUOHAO-UHFFFAOYSA-N 1 0 268.313 2.118 20 5 CEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423393 177265814 /nfs/dbraw/zinc/26/58/14/177265814.db2.gz OVAIGVBVIPSSSQ-IUCAKERBSA-N 1 0 272.732 2.355 20 5 CEBDRO C[C@@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078781814 177387691 /nfs/dbraw/zinc/38/76/91/177387691.db2.gz DLPKKGUPIGMLFS-MRVPVSSYSA-N 1 0 258.705 2.109 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000162969430 287410946 /nfs/dbraw/zinc/41/09/46/287410946.db2.gz ONYFXGLYYAQGIM-YRGRVCCFSA-N 1 0 293.367 2.171 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000417820618 226586543 /nfs/dbraw/zinc/58/65/43/226586543.db2.gz CSSVHTXEZAADAL-LLVKDONJSA-N 1 0 294.355 2.002 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417847641 226666711 /nfs/dbraw/zinc/66/67/11/226666711.db2.gz KECYBVSYNBIMJT-SNVBAGLBSA-N 1 0 294.355 2.001 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(Cl)c1 ZINC000316654315 270334689 /nfs/dbraw/zinc/33/46/89/270334689.db2.gz WFPMREUVMOAJNG-CYBMUJFWSA-N 1 0 284.743 2.499 20 5 CEBDRO CC[C@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000518172476 260348613 /nfs/dbraw/zinc/34/86/13/260348613.db2.gz RNDSNQAOFHDFDF-JTQLQIEISA-N 1 0 299.321 2.399 20 5 CEBDRO CCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)COC1 ZINC000393954882 262375580 /nfs/dbraw/zinc/37/55/80/262375580.db2.gz AQMRLKPTIMVYAB-UHFFFAOYSA-N 1 0 256.327 2.173 20 5 CEBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425358697 264070147 /nfs/dbraw/zinc/07/01/47/264070147.db2.gz RCCMEWCAEGUCGL-LQPUYASZSA-N 1 0 299.334 2.216 20 5 CEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccnc2)cc1 ZINC000038079406 270225920 /nfs/dbraw/zinc/22/59/20/270225920.db2.gz MVNPDFVLJWPNGO-UHFFFAOYSA-N 1 0 273.292 2.158 20 5 CEBDRO C[C@@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227193 270352802 /nfs/dbraw/zinc/35/28/02/270352802.db2.gz CPEKQQRLNHPHMG-DYEKYZERSA-N 1 0 277.368 2.400 20 5 CEBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000398129641 270357109 /nfs/dbraw/zinc/35/71/09/270357109.db2.gz KCQGOHOBVJKWJY-WPRPVWTQSA-N 1 0 256.327 2.313 20 5 CEBDRO [NH3+][C@H]1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420244037 270492479 /nfs/dbraw/zinc/49/24/79/270492479.db2.gz XEMVGGPPTRZQEE-RYUDHWBXSA-N 1 0 286.335 2.247 20 5 CEBDRO Cc1cnc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420273022 270500762 /nfs/dbraw/zinc/50/07/62/270500762.db2.gz DUMAIAFKOKBCFQ-MNOVXSKESA-N 1 0 264.329 2.228 20 5 CEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CC2 ZINC000424317797 271043727 /nfs/dbraw/zinc/04/37/27/271043727.db2.gz GYRVSZPNBJUKFL-GWCFXTLKSA-N 1 0 289.335 2.454 20 5 CEBDRO C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000430550701 271388223 /nfs/dbraw/zinc/38/82/23/271388223.db2.gz ZLYYDOVGIHNJHJ-SWLSCSKDSA-N 1 0 293.367 2.033 20 5 CEBDRO C[NH+](C)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277953424 273816651 /nfs/dbraw/zinc/81/66/51/273816651.db2.gz WINJTMSGYNMVCL-NSHDSACASA-N 1 0 289.339 2.002 20 5 CEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cn1 ZINC000286272634 274387059 /nfs/dbraw/zinc/38/70/59/274387059.db2.gz HLLLXDNSASWFDN-DGCLKSJQSA-N 1 0 276.340 2.053 20 5 CEBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285272834 274516980 /nfs/dbraw/zinc/51/69/80/274516980.db2.gz QWMLVXVGRXUNOO-NSHDSACASA-N 1 0 289.339 2.100 20 5 CEBDRO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000135239803 274680433 /nfs/dbraw/zinc/68/04/33/274680433.db2.gz OCGFCSSFARYNFF-SMDDNHRTSA-N 1 0 291.351 2.151 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000413131714 275036559 /nfs/dbraw/zinc/03/65/59/275036559.db2.gz SVKVFBVFFKLGIM-GFCCVEGCSA-N 1 0 298.346 2.427 20 5 CEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C3CC3)CC2)c1 ZINC000294779511 275038840 /nfs/dbraw/zinc/03/88/40/275038840.db2.gz ALCOYXYJBDGQQB-UHFFFAOYSA-N 1 0 298.346 2.427 20 5 CEBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000328467591 275882048 /nfs/dbraw/zinc/88/20/48/275882048.db2.gz XXDWSUWMMTTYBD-GFCCVEGCSA-N 1 0 250.298 2.252 20 5 CEBDRO CC(C)c1ccc(CN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000415106122 276052651 /nfs/dbraw/zinc/05/26/51/276052651.db2.gz JGIABUZIAHGKFJ-UHFFFAOYSA-N 1 0 251.330 2.109 20 5 CEBDRO CCOc1cccc(N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000273826226 276498720 /nfs/dbraw/zinc/49/87/20/276498720.db2.gz DZZLKFZQCSNSBS-NSHDSACASA-N 1 0 279.340 2.134 20 5 CEBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000093633650 276984868 /nfs/dbraw/zinc/98/48/68/276984868.db2.gz RSGSOIWZVCBXQH-NSHDSACASA-N 1 0 269.732 2.042 20 5 CEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272184654 277147119 /nfs/dbraw/zinc/14/71/19/277147119.db2.gz KTAVXEVRHVXEIX-RISCZKNCSA-N 1 0 261.325 2.125 20 5 CEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375039512 277178403 /nfs/dbraw/zinc/17/84/03/277178403.db2.gz NFWAOMAPYYWFMF-IINYFYTJSA-N 1 0 279.315 2.264 20 5 CEBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278911422 277262995 /nfs/dbraw/zinc/26/29/95/277262995.db2.gz ZJOXNVJXMSMLQY-TUKIKUTGSA-N 1 0 294.351 2.439 20 5 CEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000248565282 277710814 /nfs/dbraw/zinc/71/08/14/277710814.db2.gz ONYFXGLYYAQGIM-MBNYWOFBSA-N 1 0 293.367 2.171 20 5 CEBDRO CSC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000188180233 278134518 /nfs/dbraw/zinc/13/45/18/278134518.db2.gz QIGYBASZYBZHAU-AWEZNQCLSA-N 1 0 296.392 2.283 20 5 CEBDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280409 278296388 /nfs/dbraw/zinc/29/63/88/278296388.db2.gz XGLVGDKKHRWUMV-RLNQDPLASA-N 1 0 296.392 2.329 20 5 CEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000063193751 278316456 /nfs/dbraw/zinc/31/64/56/278316456.db2.gz OEVDDXXRXSXJRC-ZWNOBZJWSA-N 1 0 292.339 2.328 20 5 CEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351760325 288099907 /nfs/dbraw/zinc/09/99/07/288099907.db2.gz UHNGWRSRXRLICS-VHSXEESVSA-N 1 0 299.321 2.397 20 5 CEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000016445272 279594094 /nfs/dbraw/zinc/59/40/94/279594094.db2.gz PMJQJBIJTLWIEK-SNVBAGLBSA-N 1 0 263.297 2.018 20 5 CEBDRO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766511 279596360 /nfs/dbraw/zinc/59/63/60/279596360.db2.gz LPOARLDDOOHFNV-LLVKDONJSA-N 1 0 291.351 2.434 20 5 CEBDRO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185821289 280126629 /nfs/dbraw/zinc/12/66/29/280126629.db2.gz NCIYUECHPHHRAD-UHFFFAOYSA-N 1 0 262.309 2.373 20 5 CEBDRO O=[N+]([O-])c1cnccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000340153136 280383324 /nfs/dbraw/zinc/38/33/24/280383324.db2.gz OLEHHMNHKISCGK-UHFFFAOYSA-N 1 0 290.367 2.302 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000346691440 280659814 /nfs/dbraw/zinc/65/98/14/280659814.db2.gz VTADSICAQXJYSP-NEPJUHHUSA-N 1 0 263.341 2.085 20 5 CEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000277281151 280664103 /nfs/dbraw/zinc/66/41/03/280664103.db2.gz YVJZZSFBEKXMBX-LBPRGKRZSA-N 1 0 278.356 2.219 20 5 CEBDRO COc1ccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422946525 280975495 /nfs/dbraw/zinc/97/54/95/280975495.db2.gz OXFJUNAABSTHRA-AAEUAGOBSA-N 1 0 293.367 2.224 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000292680595 281013407 /nfs/dbraw/zinc/01/34/07/281013407.db2.gz DPJWNJMOOHNVAJ-HNNXBMFYSA-N 1 0 290.367 2.220 20 5 CEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235348844 281016160 /nfs/dbraw/zinc/01/61/60/281016160.db2.gz ALNJUQSWXDIPDA-ZWNOBZJWSA-N 1 0 291.351 2.103 20 5 CEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000423479192 281053695 /nfs/dbraw/zinc/05/36/95/281053695.db2.gz LYUVGXKSESKTSK-GWCFXTLKSA-N 1 0 299.321 2.113 20 5 CEBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000271515179 281116305 /nfs/dbraw/zinc/11/63/05/281116305.db2.gz KNIZZVPTKSRUJC-RYUDHWBXSA-N 1 0 279.340 2.019 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000110791691 281257659 /nfs/dbraw/zinc/25/76/59/281257659.db2.gz KOKMJEBLZVHVIJ-LBPRGKRZSA-N 1 0 291.351 2.023 20 5 CEBDRO Cc1cnc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000301760216 281598836 /nfs/dbraw/zinc/59/88/36/281598836.db2.gz CFMRWTVYDZDBKO-UHFFFAOYSA-N 1 0 276.340 2.019 20 5 CEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC2)n1 ZINC000447506999 281829916 /nfs/dbraw/zinc/82/99/16/281829916.db2.gz GAJCJUJJFDJKOR-QWRGUYRKSA-N 1 0 250.302 2.027 20 5 CEBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305864288 289274844 /nfs/dbraw/zinc/27/48/44/289274844.db2.gz ZAZXGCLSIJHALQ-WCQYABFASA-N 1 0 294.351 2.196 20 5 CEBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000311922732 289280487 /nfs/dbraw/zinc/28/04/87/289280487.db2.gz BZNGDDHIDMJHFE-AWEZNQCLSA-N 1 0 261.325 2.093 20 5 CEBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459643517 290203751 /nfs/dbraw/zinc/20/37/51/290203751.db2.gz IKPBGFJAYGUOMQ-BJHJDKERSA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283418 290387171 /nfs/dbraw/zinc/38/71/71/290387171.db2.gz KCKQXFRSHVPUJF-CHWSQXEVSA-N 1 0 275.352 2.373 20 5 CEBDRO O=C(CC[NH2+][C@H]1CCC[C@H]1F)Nc1ccccc1[N+](=O)[O-] ZINC000515637710 297579413 /nfs/dbraw/zinc/57/94/13/297579413.db2.gz CTFDNCGMACLTTF-MNOVXSKESA-N 1 0 295.314 2.404 20 5 CEBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000530749260 298083507 /nfs/dbraw/zinc/08/35/07/298083507.db2.gz WWDGYYVKQRXHRC-YPMHNXCESA-N 1 0 291.351 2.032 20 5 CEBDRO COc1cccc([N+](=O)[O-])c1N[C@@H](C)CC[NH+](C)C ZINC000563420262 298775643 /nfs/dbraw/zinc/77/56/43/298775643.db2.gz COVIQIGQPZKSRJ-JTQLQIEISA-N 1 0 267.329 2.356 20 5 CEBDRO C[C@@H]1C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517556091 313111060 /nfs/dbraw/zinc/11/10/60/313111060.db2.gz GEBZLULBXFVJTM-GHMZBOCLSA-N 1 0 277.324 2.169 20 5 CEBDRO CC(C)(O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078096 313657644 /nfs/dbraw/zinc/65/76/44/313657644.db2.gz PNDRLTKRFNJYKQ-RYUDHWBXSA-N 1 0 296.371 2.026 20 5 CEBDRO CCOc1cc(CSCC[NH2+]C)ccc1[N+](=O)[O-] ZINC000576036304 314235312 /nfs/dbraw/zinc/23/53/12/314235312.db2.gz OGIZQNRBKWSHIH-UHFFFAOYSA-N 1 0 270.354 2.446 20 5 CEBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)NC ZINC000579077592 314545108 /nfs/dbraw/zinc/54/51/08/314545108.db2.gz HCXVNBZUVJRYDR-MFKMUULPSA-N 1 0 279.340 2.078 20 5 CEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000581005681 322361205 /nfs/dbraw/zinc/36/12/05/322361205.db2.gz YTXHCDVTWCMCGW-NEPJUHHUSA-N 1 0 291.351 2.163 20 5 CEBDRO [NH3+][C@@H]1CCCc2cn(Cc3cccc([N+](=O)[O-])c3)nc21 ZINC000581245778 322380248 /nfs/dbraw/zinc/38/02/48/322380248.db2.gz LNDTYEJLEFYVOY-CYBMUJFWSA-N 1 0 272.308 2.176 20 5 CEBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[NH2+]1 ZINC000584520291 329510086 /nfs/dbraw/zinc/51/00/86/329510086.db2.gz NVWAGKJCTJUFRA-MNOVXSKESA-N 1 0 286.335 2.330 20 5 CEBDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000355058838 533903510 /nfs/dbraw/zinc/90/35/10/533903510.db2.gz PBAQNGNQFIVQCW-GFCCVEGCSA-N 1 0 282.340 2.100 20 5 CEBDRO COc1cc(C[NH2+][C@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000414496081 533909399 /nfs/dbraw/zinc/90/93/99/533909399.db2.gz CTIOKGNYURRSHL-PSASIEDQSA-N 1 0 298.364 2.293 20 5 CEBDRO Cc1cc(NCCc2cn[nH]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357618595 534031463 /nfs/dbraw/zinc/03/14/63/534031463.db2.gz ANWQYKQJQWSOOX-UHFFFAOYSA-N 1 0 297.318 2.251 20 5 CEBDRO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000357688069 534032062 /nfs/dbraw/zinc/03/20/62/534032062.db2.gz XBGMZLNZXYUJHB-UHFFFAOYSA-N 1 0 257.293 2.375 20 5 CEBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000150284852 521046701 /nfs/dbraw/zinc/04/67/01/521046701.db2.gz NVYPQTIGXRXTNQ-NSHDSACASA-N 1 0 280.328 2.234 20 5 CEBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183213885 521733110 /nfs/dbraw/zinc/73/31/10/521733110.db2.gz SAGVEFVYGCGHBF-LLVKDONJSA-N 1 0 293.367 2.408 20 5 CEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000156710755 524901936 /nfs/dbraw/zinc/90/19/36/524901936.db2.gz LTHRIZHJTGBDOG-GFCCVEGCSA-N 1 0 293.367 2.349 20 5 CEBDRO Cc1ccc(NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000364758802 525224516 /nfs/dbraw/zinc/22/45/16/525224516.db2.gz BHPIPQXBYOUCCN-ZDUSSCGKSA-N 1 0 289.335 2.184 20 5 CEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000372098412 527145162 /nfs/dbraw/zinc/14/51/62/527145162.db2.gz JKSWLTFYGOZHEB-QXMXGUDHSA-N 1 0 289.335 2.079 20 5 CEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000050443613 527334118 /nfs/dbraw/zinc/33/41/18/527334118.db2.gz JSZYJPYXIBFDNY-SECBINFHSA-N 1 0 270.716 2.374 20 5 CEBDRO O=[N+]([O-])c1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000365563698 527387194 /nfs/dbraw/zinc/38/71/94/527387194.db2.gz UFXMTUKKKQJESL-GFCCVEGCSA-N 1 0 262.309 2.063 20 5 CEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449774 527461898 /nfs/dbraw/zinc/46/18/98/527461898.db2.gz MDSKFQDAXSXYLC-CYBMUJFWSA-N 1 0 286.335 2.318 20 5 CEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449775 527471041 /nfs/dbraw/zinc/47/10/41/527471041.db2.gz MDSKFQDAXSXYLC-ZDUSSCGKSA-N 1 0 286.335 2.318 20 5 CEBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(N)c1F)C(C)C ZINC000357238931 528519567 /nfs/dbraw/zinc/51/95/67/528519567.db2.gz OAQZOLLJJZHVSJ-UHFFFAOYSA-N 1 0 284.335 2.458 20 5 CEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1occc1C ZINC000412024605 528611759 /nfs/dbraw/zinc/61/17/59/528611759.db2.gz FZTHTYYOTDDNON-UHFFFAOYSA-N 1 0 278.312 2.215 20 5 CEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000754080380 574522627 /nfs/dbraw/zinc/52/26/27/574522627.db2.gz USUWGSCJEUWTLZ-JTQLQIEISA-N 1 0 294.311 2.033 20 5 CEBDRO Cc1ccc(CCNc2ccc([N+](=O)[O-])c3nonc32)cn1 ZINC000732050031 574610673 /nfs/dbraw/zinc/61/06/73/574610673.db2.gz JBTOUTLHKHCYIU-UHFFFAOYSA-N 1 0 299.290 2.489 20 5 CEBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000733328827 574664302 /nfs/dbraw/zinc/66/43/02/574664302.db2.gz DRMHIZLRCZUUHR-SNVBAGLBSA-N 1 0 278.230 2.262 20 5 CEBDRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268997 567923970 /nfs/dbraw/zinc/92/39/70/567923970.db2.gz AZXKKJXZEHVNGI-UONOGXRCSA-N 1 0 276.336 2.418 20 5 CEBDRO C[C@H](CC[NH+](C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000743580234 575106806 /nfs/dbraw/zinc/10/68/06/575106806.db2.gz NVUJDUZHUWILPO-SNVBAGLBSA-N 1 0 296.396 2.221 20 5 CEBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000748820126 575197929 /nfs/dbraw/zinc/19/79/29/575197929.db2.gz DQEXTIVGASKBSR-VIFPVBQESA-N 1 0 278.337 2.167 20 5 CEBDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050370375 623402451 /nfs/dbraw/zinc/40/24/51/623402451.db2.gz XJESGZXGRURKNP-STQMWFEESA-N 1 0 250.298 2.252 20 5 CEBDRO C[C@]1(O)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178024430 623608922 /nfs/dbraw/zinc/60/89/22/623608922.db2.gz LCUHYTGTRRSUAY-LBPRGKRZSA-N 1 0 270.716 2.205 20 5 CEBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933369966 623687809 /nfs/dbraw/zinc/68/78/09/623687809.db2.gz LVWDVPKGJYLWHC-LBPRGKRZSA-N 1 0 277.324 2.181 20 5 CEBDRO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCC[C@H]1C ZINC000891838697 624013260 /nfs/dbraw/zinc/01/32/60/624013260.db2.gz WUBWDDDIXRPMAL-LLVKDONJSA-N 1 0 294.355 2.285 20 5 CEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891853063 624028185 /nfs/dbraw/zinc/02/81/85/624028185.db2.gz AMUVXQSYFCJOJG-RYUDHWBXSA-N 1 0 295.387 2.108 20 5 CEBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000050373639 624651453 /nfs/dbraw/zinc/65/14/53/624651453.db2.gz ZFAKIDSNIANYDZ-WCQYABFASA-N 1 0 280.324 2.261 20 5 CEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820593607 634464989 /nfs/dbraw/zinc/46/49/89/634464989.db2.gz BYHAVMIZXNDFLH-CABZTGNLSA-N 1 0 267.304 2.263 20 5 CEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000820593606 634465422 /nfs/dbraw/zinc/46/54/22/634465422.db2.gz BYHAVMIZXNDFLH-BXKDBHETSA-N 1 0 267.304 2.263 20 5 CEBDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621187 627317503 /nfs/dbraw/zinc/31/75/03/627317503.db2.gz HMEDHDLAFNRGTO-ZJUUUORDSA-N 1 0 266.297 2.197 20 5 CEBDRO COc1c(O)ccc(C[NH2+]C[C@H](OC)C(C)C)c1[N+](=O)[O-] ZINC000893087431 627990302 /nfs/dbraw/zinc/99/03/02/627990302.db2.gz VPYMWHMPRKKOHS-LBPRGKRZSA-N 1 0 298.339 2.070 20 5 CEBDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000902444405 634661476 /nfs/dbraw/zinc/66/14/76/634661476.db2.gz HGTOWKSVDPDYLP-GXFFZTMASA-N 1 0 263.341 2.243 20 5 CEBDRO CCOC(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000159341468 628782041 /nfs/dbraw/zinc/78/20/41/628782041.db2.gz GOOPDPPOFOUEEA-CYBMUJFWSA-N 1 0 282.340 2.033 20 5 CEBDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000902466499 634684055 /nfs/dbraw/zinc/68/40/55/634684055.db2.gz KKMZFHHYLRLZMT-BNQQVVLKSA-N 1 0 261.325 2.138 20 5 CEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000261617518 628949046 /nfs/dbraw/zinc/94/90/46/628949046.db2.gz BKOKCKXORITGAB-VIFPVBQESA-N 1 0 276.296 2.104 20 5 CEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000893869455 629031775 /nfs/dbraw/zinc/03/17/75/629031775.db2.gz AFTLLEHSBQJLEG-GFCCVEGCSA-N 1 0 291.351 2.036 20 5 CEBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261799957 629245806 /nfs/dbraw/zinc/24/58/06/629245806.db2.gz GXVVWQLNCDSREB-UHFFFAOYSA-N 1 0 283.759 2.432 20 5 CEBDRO Cc1ncoc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000894366553 629397032 /nfs/dbraw/zinc/39/70/32/629397032.db2.gz NQCKVKNLCVSECM-UHFFFAOYSA-N 1 0 261.281 2.224 20 5 CEBDRO C[NH+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000894796340 629644180 /nfs/dbraw/zinc/64/41/80/629644180.db2.gz ARQZZQYQINIFJY-GJZGRUSLSA-N 1 0 275.352 2.373 20 5 CEBDRO Cc1cc(N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC000894797948 629646107 /nfs/dbraw/zinc/64/61/07/629646107.db2.gz QSGFGINEEQSJQT-HUUCEWRRSA-N 1 0 290.367 2.076 20 5 CEBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000795673719 629651388 /nfs/dbraw/zinc/65/13/88/629651388.db2.gz GJSBGMOAWHBBLY-BETUJISGSA-N 1 0 290.323 2.011 20 5 CEBDRO CN(CCC[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233078 629810237 /nfs/dbraw/zinc/81/02/37/629810237.db2.gz KKHADEGLJVVLHK-UHFFFAOYSA-N 1 0 286.719 2.061 20 5 CEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000049217058 629854383 /nfs/dbraw/zinc/85/43/83/629854383.db2.gz AGBCOGXJFZVBTQ-LBPRGKRZSA-N 1 0 297.330 2.050 20 5 CEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccnc(NC)c1 ZINC000895254628 630064951 /nfs/dbraw/zinc/06/49/51/630064951.db2.gz CMUDCVCLYNYNFG-UHFFFAOYSA-N 1 0 290.327 2.168 20 5 CEBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000895736480 630326734 /nfs/dbraw/zinc/32/67/34/630326734.db2.gz JDEUGPLNJCCHGL-IUCAKERBSA-N 1 0 255.343 2.469 20 5 CEBDRO CCn1cnc2c1CCN(c1ccc([N+](=O)[O-])c(C)n1)C2 ZINC000896660085 630624257 /nfs/dbraw/zinc/62/42/57/630624257.db2.gz JYOIFKVPTJJNHT-UHFFFAOYSA-N 1 0 287.323 2.077 20 5 CEBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000799343141 631016966 /nfs/dbraw/zinc/01/69/66/631016966.db2.gz AVSQVJXHCCWLRY-NILFDRSVSA-N 1 0 294.351 2.128 20 5 CEBDRO Cc1c(CNCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000054112687 631675295 /nfs/dbraw/zinc/67/52/95/631675295.db2.gz BVGDJVMLETZAMC-UHFFFAOYSA-N 1 0 265.357 2.333 20 5 CEBDRO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804443097 631683136 /nfs/dbraw/zinc/68/31/36/631683136.db2.gz CQKIWAUOUTWKHY-UHFFFAOYSA-N 1 0 294.311 2.035 20 5 CEBDRO CC[C@](C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)OC ZINC000322643541 632234171 /nfs/dbraw/zinc/23/41/71/632234171.db2.gz UZMGBFBJVPVQTN-ZIAGYGMSSA-N 1 0 282.340 2.033 20 5 CEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=S)NCC[NH+](C)C ZINC000811716027 632428813 /nfs/dbraw/zinc/42/88/13/632428813.db2.gz INCMXWLDCAGWFO-UHFFFAOYSA-N 1 0 296.396 2.005 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000898392240 632473946 /nfs/dbraw/zinc/47/39/46/632473946.db2.gz KHOOZFSMYXEOEF-HOTGVXAUSA-N 1 0 284.315 2.343 20 5 CEBDRO C[C@@H](NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000899266314 632764185 /nfs/dbraw/zinc/76/41/85/632764185.db2.gz RDWMEQIRYQTBDL-SECBINFHSA-N 1 0 262.313 2.007 20 5 CEBDRO O=[N+]([O-])CC[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000905122562 635827220 /nfs/dbraw/zinc/82/72/20/635827220.db2.gz ZYVHKKUTVUKLLX-UHFFFAOYSA-N 1 0 299.168 2.347 20 5 CEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N+](=O)[O-])CC3 ZINC000905201443 635877821 /nfs/dbraw/zinc/87/78/21/635877821.db2.gz JLOYUYXXLQPWSY-NSHDSACASA-N 1 0 273.336 2.200 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582689 633035065 /nfs/dbraw/zinc/03/50/65/633035065.db2.gz MXJLDDUPAXFHMX-GVXVVHGQSA-N 1 0 293.367 2.379 20 5 CEBDRO CCCCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000899871748 633063741 /nfs/dbraw/zinc/06/37/41/633063741.db2.gz UOOSFARWIUGVSI-UHFFFAOYSA-N 1 0 282.340 2.240 20 5 CEBDRO CC(C)(C)Oc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899876311 633068750 /nfs/dbraw/zinc/06/87/50/633068750.db2.gz PWXLZFVNCHKSIV-UHFFFAOYSA-N 1 0 252.314 2.230 20 5 CEBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)CO ZINC000816653962 633457891 /nfs/dbraw/zinc/45/78/91/633457891.db2.gz OLIGHPFCWKXXOL-VIFPVBQESA-N 1 0 272.732 2.451 20 5 CEBDRO CON1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000817418915 633656181 /nfs/dbraw/zinc/65/61/81/633656181.db2.gz KZPOTMALOHOITH-UHFFFAOYSA-N 1 0 299.758 2.364 20 5 CEBDRO CC(C)(C)OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984496 634029576 /nfs/dbraw/zinc/02/95/76/634029576.db2.gz AAHSFINFMIRHPJ-ZDUSSCGKSA-N 1 0 282.340 2.033 20 5 CEBDRO Cc1cccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018362 634041881 /nfs/dbraw/zinc/04/18/81/634041881.db2.gz VXEJMFGQBLOYIU-HNNXBMFYSA-N 1 0 287.319 2.121 20 5 CEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1CCC1 ZINC000819145343 634082358 /nfs/dbraw/zinc/08/23/58/634082358.db2.gz DPOQMVFYAVBKLS-ZDUSSCGKSA-N 1 0 294.351 2.114 20 5 CEBDRO C[C@@H]1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000819200195 634102465 /nfs/dbraw/zinc/10/24/65/634102465.db2.gz SLBYPONELMNSNG-UEKVPHQBSA-N 1 0 294.351 2.174 20 5 CEBDRO CCC(O)(CC)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819256046 634119250 /nfs/dbraw/zinc/11/92/50/634119250.db2.gz HFAJUZMYVFNCDO-CQSZACIVSA-N 1 0 296.367 2.159 20 5 CEBDRO Cc1ccncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350496 634149668 /nfs/dbraw/zinc/14/96/68/634149668.db2.gz OPGQKIBJSAKOAA-OAHLLOKOSA-N 1 0 287.319 2.121 20 5 CEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822225668 634872257 /nfs/dbraw/zinc/87/22/57/634872257.db2.gz LYLZTQCAOFQMIA-ZDUSSCGKSA-N 1 0 299.415 2.203 20 5 CEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CCO)cc([N+](=O)[O-])c1 ZINC000903103590 634971144 /nfs/dbraw/zinc/97/11/44/634971144.db2.gz KKKABYFCVLPIBJ-WDEREUQCSA-N 1 0 282.340 2.273 20 5 CEBDRO COc1cc([C@@H](C)[NH2+][C@H](CO)C(C)C)cc([N+](=O)[O-])c1 ZINC000903107200 634972613 /nfs/dbraw/zinc/97/26/13/634972613.db2.gz NZNOHOFZTCPKSA-QMTHXVAHSA-N 1 0 282.340 2.271 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[C@H](C)[NH3+])n1 ZINC000822807652 635000231 /nfs/dbraw/zinc/00/02/31/635000231.db2.gz CKZNOPARRFCFRS-IUCAKERBSA-N 1 0 276.296 2.404 20 5 CEBDRO C[C@H](C[NH2+][C@@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000903246377 635025364 /nfs/dbraw/zinc/02/53/64/635025364.db2.gz UEFPQSCLYFPGJP-NQBHXWOUSA-N 1 0 264.325 2.323 20 5 CEBDRO CN1CC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903315909 635063186 /nfs/dbraw/zinc/06/31/86/635063186.db2.gz AFBKDWYZHUFAOM-ZFWWWQNUSA-N 1 0 275.352 2.266 20 5 CEBDRO CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269247 635119338 /nfs/dbraw/zinc/11/93/38/635119338.db2.gz FRIQDVAIEJSMGJ-HTQZYQBOSA-N 1 0 278.268 2.093 20 5 CEBDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000903821011 635289109 /nfs/dbraw/zinc/28/91/09/635289109.db2.gz FXSVSRZEQHGGLS-HZPDHXFCSA-N 1 0 283.331 2.309 20 5 CEBDRO C[C@@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903964770 635398866 /nfs/dbraw/zinc/39/88/66/635398866.db2.gz QVDDBXQOQHXQRN-KOLCDFICSA-N 1 0 283.759 2.193 20 5 CEBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnn3c1CCC3)C2 ZINC000824819815 635505264 /nfs/dbraw/zinc/50/52/64/635505264.db2.gz UKCYABORFSIYCC-UHFFFAOYSA-N 1 0 298.346 2.296 20 5 CEBDRO O=[N+]([O-])CC[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000905395430 636270272 /nfs/dbraw/zinc/27/02/72/636270272.db2.gz LYRFGLVUKSLSFP-UHFFFAOYSA-N 1 0 269.251 2.403 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000905666787 636374226 /nfs/dbraw/zinc/37/42/26/636374226.db2.gz LYCQPAWMKULSTE-NMFUWQPSSA-N 1 0 276.336 2.406 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000905666786 636374601 /nfs/dbraw/zinc/37/46/01/636374601.db2.gz LYCQPAWMKULSTE-FAAHXZRKSA-N 1 0 276.336 2.406 20 5 CEBDRO CC(C)c1ccc(CN[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000906507584 636757688 /nfs/dbraw/zinc/75/76/88/636757688.db2.gz ARCUNGBMVDGJPA-HAQNSBGRSA-N 1 0 263.341 2.298 20 5 CEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000876508608 650295378 /nfs/dbraw/zinc/29/53/78/650295378.db2.gz RUWNOAYILHVTMI-LBPRGKRZSA-N 1 0 299.330 2.230 20 5 CEBDRO COCC[NH+](CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876526374 650303969 /nfs/dbraw/zinc/30/39/69/650303969.db2.gz SIBZQIDMRLQKEC-UHFFFAOYSA-N 1 0 296.367 2.306 20 5 CEBDRO O=C(C[C@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217952 637257075 /nfs/dbraw/zinc/25/70/75/637257075.db2.gz PBHXTDPELQSESZ-SNVBAGLBSA-N 1 0 297.742 2.007 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000832782062 637668565 /nfs/dbraw/zinc/66/85/65/637668565.db2.gz GKXJNGYZWPFUMO-LLVKDONJSA-N 1 0 282.315 2.328 20 5 CEBDRO CC(C)(CCC(=O)NCCCCC[NH+]1CCCC1)[N+](=O)[O-] ZINC000832883935 637698272 /nfs/dbraw/zinc/69/82/72/637698272.db2.gz KOULHEORGRTDBY-UHFFFAOYSA-N 1 0 299.415 2.204 20 5 CEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+](C)C)cc1Cl ZINC000836192724 638569273 /nfs/dbraw/zinc/56/92/73/638569273.db2.gz GXFQWTQOFHLCCA-UHFFFAOYSA-N 1 0 299.758 2.238 20 5 CEBDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184221 638599983 /nfs/dbraw/zinc/59/99/83/638599983.db2.gz VFDTXUBOTHUXTE-LBPRGKRZSA-N 1 0 291.351 2.247 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840565 650455817 /nfs/dbraw/zinc/45/58/17/650455817.db2.gz USFDYCPMNXQDSC-OAHLLOKOSA-N 1 0 291.351 2.023 20 5 CEBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102885612 639357897 /nfs/dbraw/zinc/35/78/97/639357897.db2.gz KQWCXVPZYKFGJK-LLVKDONJSA-N 1 0 250.302 2.013 20 5 CEBDRO CCC1(CC)[C@H](OC)C[C@H]1N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000165029726 639411628 /nfs/dbraw/zinc/41/16/28/639411628.db2.gz NGFOYKRWGXWXBC-CHWSQXEVSA-N 1 0 296.371 2.274 20 5 CEBDRO COc1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1[N+](=O)[O-] ZINC000223449525 639425285 /nfs/dbraw/zinc/42/52/85/639425285.db2.gz GJXXOSYGJGLGPR-GFCCVEGCSA-N 1 0 282.340 2.100 20 5 CEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010581 639617330 /nfs/dbraw/zinc/61/73/30/639617330.db2.gz GIFZDKRPOXBLNC-RNFRBKRXSA-N 1 0 286.719 2.105 20 5 CEBDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000228279666 639628292 /nfs/dbraw/zinc/62/82/92/639628292.db2.gz OCFZPGOYPPMGQD-LERXQTSPSA-N 1 0 264.325 2.406 20 5 CEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841063882 639639845 /nfs/dbraw/zinc/63/98/45/639639845.db2.gz BHLQBDCRKQLDLE-ZANVPECISA-N 1 0 283.759 2.478 20 5 CEBDRO CC1(C)[NH2+]CC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841087234 639652163 /nfs/dbraw/zinc/65/21/63/639652163.db2.gz RYRMOZZSPGJMNT-GFCCVEGCSA-N 1 0 283.759 2.478 20 5 CEBDRO Cn1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000230880560 639798580 /nfs/dbraw/zinc/79/85/80/639798580.db2.gz QAMKYRMSGIIDDB-UHFFFAOYSA-N 1 0 294.742 2.314 20 5 CEBDRO C[C@@H]1[NH2+]CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000843058719 640261268 /nfs/dbraw/zinc/26/12/68/640261268.db2.gz WYERFQKHXMRHJB-UWVGGRQHSA-N 1 0 283.759 2.430 20 5 CEBDRO CC(C)([NH3+])CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218675 640351701 /nfs/dbraw/zinc/35/17/01/640351701.db2.gz BHUSMFJGMUYGKY-UHFFFAOYSA-N 1 0 282.325 2.376 20 5 CEBDRO Cc1cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)cc([N+](=O)[O-])c1 ZINC000843239982 640366327 /nfs/dbraw/zinc/36/63/27/640366327.db2.gz RPUHZPSKUOXHQR-LLVKDONJSA-N 1 0 288.307 2.248 20 5 CEBDRO C[C@](C[NH3+])(NCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000843355507 640401667 /nfs/dbraw/zinc/40/16/67/640401667.db2.gz FDDFWEAQWGCECD-CYBMUJFWSA-N 1 0 283.759 2.465 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(F)c1 ZINC000914435325 640406734 /nfs/dbraw/zinc/40/67/34/640406734.db2.gz BILDKGQHAYXOIG-TZMCWYRMSA-N 1 0 280.299 2.249 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)CCF ZINC000846097864 641180585 /nfs/dbraw/zinc/18/05/85/641180585.db2.gz XCLOSTYKGMDOBZ-SNVBAGLBSA-N 1 0 276.695 2.058 20 5 CEBDRO C[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847962761 641853721 /nfs/dbraw/zinc/85/37/21/641853721.db2.gz JJDWFKAAQCMEEC-LBPRGKRZSA-N 1 0 286.372 2.240 20 5 CEBDRO CC1(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877486057 650745567 /nfs/dbraw/zinc/74/55/67/650745567.db2.gz CVNBZNFUNLNZMI-UHFFFAOYSA-N 1 0 264.329 2.275 20 5 CEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C=CCC3)CC2)cn1 ZINC000877625149 650819893 /nfs/dbraw/zinc/81/98/93/650819893.db2.gz WDWWHSQMNNCWDU-GFCCVEGCSA-N 1 0 288.351 2.267 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1COCCO1 ZINC000877629093 650822359 /nfs/dbraw/zinc/82/23/59/650822359.db2.gz QDZTZRNFCBZUFX-CYBMUJFWSA-N 1 0 294.351 2.059 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1(CO)CC1 ZINC000877642171 650830260 /nfs/dbraw/zinc/83/02/60/650830260.db2.gz RBLSFGAXEOWGHX-UHFFFAOYSA-N 1 0 264.325 2.168 20 5 CEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000228411385 643375611 /nfs/dbraw/zinc/37/56/11/643375611.db2.gz ZUCBGZXTCOMXNL-OAHLLOKOSA-N 1 0 288.303 2.124 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852669980 643506670 /nfs/dbraw/zinc/50/66/70/643506670.db2.gz UOEVHLLSZGQSSJ-PWSUYJOCSA-N 1 0 280.299 2.202 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1Cl ZINC000877700923 650858233 /nfs/dbraw/zinc/85/82/33/650858233.db2.gz ICHIKWNCGBTXHF-JQWIXIFHSA-N 1 0 270.716 2.251 20 5 CEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517525 643748367 /nfs/dbraw/zinc/74/83/67/643748367.db2.gz DODPHBBLKLVZAV-CMPLNLGQSA-N 1 0 295.770 2.290 20 5 CEBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111832081 643966850 /nfs/dbraw/zinc/96/68/50/643966850.db2.gz JOBVPMYJVCRIHJ-UHFFFAOYSA-N 1 0 280.328 2.234 20 5 CEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000838899404 644076353 /nfs/dbraw/zinc/07/63/53/644076353.db2.gz VKETZAJJESEEQC-OAHLLOKOSA-N 1 0 276.336 2.330 20 5 CEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000857238834 644867951 /nfs/dbraw/zinc/86/79/51/644867951.db2.gz DPYDZJRWSCBNBK-JQWIXIFHSA-N 1 0 286.278 2.263 20 5 CEBDRO CCC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000858631445 645226017 /nfs/dbraw/zinc/22/60/17/645226017.db2.gz DSMKIFCHJUJAGV-PHIMTYICSA-N 1 0 291.351 2.374 20 5 CEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1([NH+](C)C)CCC1 ZINC000763024117 645490817 /nfs/dbraw/zinc/49/08/17/645490817.db2.gz DUAYOZOFZZNALN-UHFFFAOYSA-N 1 0 291.351 2.038 20 5 CEBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859830111 645622828 /nfs/dbraw/zinc/62/28/28/645622828.db2.gz ZAANSEOVLBZBBZ-SPSJUYOASA-N 1 0 294.351 2.030 20 5 CEBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1F ZINC000859925127 645654507 /nfs/dbraw/zinc/65/45/07/645654507.db2.gz DNKJJYLPDZQAHV-SWLSCSKDSA-N 1 0 294.326 2.328 20 5 CEBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000862486910 646476778 /nfs/dbraw/zinc/47/67/78/646476778.db2.gz JNDMJTBXXAREJU-ZDUSSCGKSA-N 1 0 290.319 2.336 20 5 CEBDRO O=[N+]([O-])c1ccc(-c2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)cc1 ZINC000863657758 646780955 /nfs/dbraw/zinc/78/09/55/646780955.db2.gz GELGSDSQUYDAGB-GXSJLCMTSA-N 1 0 292.270 2.265 20 5 CEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccon2)n1 ZINC000774206205 646818969 /nfs/dbraw/zinc/81/89/69/646818969.db2.gz DAVMIKPAGOFSCN-VXGBXAGGSA-N 1 0 291.311 2.053 20 5 CEBDRO CCC(CC)NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000864463680 647017940 /nfs/dbraw/zinc/01/79/40/647017940.db2.gz YXVVXAKTBXLPDW-UHFFFAOYSA-N 1 0 278.356 2.440 20 5 CEBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776593084 647076922 /nfs/dbraw/zinc/07/69/22/647076922.db2.gz VYIOBNXHWCSFCB-ZDUSSCGKSA-N 1 0 296.392 2.456 20 5 CEBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000776593280 647076952 /nfs/dbraw/zinc/07/69/52/647076952.db2.gz FQFHVBQSUWAIIE-QWHCGFSZSA-N 1 0 282.365 2.066 20 5 CEBDRO C[NH+](C)CC(C)(C)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865401936 647275436 /nfs/dbraw/zinc/27/54/36/647275436.db2.gz FFABAQBJCXRBQE-UHFFFAOYSA-N 1 0 299.346 2.226 20 5 CEBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865539828 647349631 /nfs/dbraw/zinc/34/96/31/647349631.db2.gz XWIOVKYJFWPFEM-LBPRGKRZSA-N 1 0 289.282 2.308 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC000866113078 647615463 /nfs/dbraw/zinc/61/54/63/647615463.db2.gz SJVUZDRQQHXITE-UHFFFAOYSA-N 1 0 278.356 2.219 20 5 CEBDRO COCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215082 647675708 /nfs/dbraw/zinc/67/57/08/647675708.db2.gz TXXUOFKXSLQOEP-SNVBAGLBSA-N 1 0 270.304 2.291 20 5 CEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C1CC1 ZINC000866264901 647703854 /nfs/dbraw/zinc/70/38/54/647703854.db2.gz UWJAAAVSRSOOCQ-BMIGLBTASA-N 1 0 296.342 2.416 20 5 CEBDRO CC[C@H](O)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866287526 647717889 /nfs/dbraw/zinc/71/78/89/647717889.db2.gz OFPXSHOGBYBEHB-MFKMUULPSA-N 1 0 284.331 2.416 20 5 CEBDRO COCC1([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866323137 647736238 /nfs/dbraw/zinc/73/62/38/647736238.db2.gz DVCLXFBLDPSAPX-JTQLQIEISA-N 1 0 282.315 2.434 20 5 CEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC2)cc1Cl ZINC000783647766 647742923 /nfs/dbraw/zinc/74/29/23/647742923.db2.gz XJRRBIXDOAZSAA-SECBINFHSA-N 1 0 256.689 2.127 20 5 CEBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866716477 647880646 /nfs/dbraw/zinc/88/06/46/647880646.db2.gz OVBFNQQHWNCAFJ-RISCZKNCSA-N 1 0 293.342 2.308 20 5 CEBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726667 647885357 /nfs/dbraw/zinc/88/53/57/647885357.db2.gz YUBDGLIFGDFSJR-JSGCOSHPSA-N 1 0 279.315 2.060 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000787418128 648107074 /nfs/dbraw/zinc/10/70/74/648107074.db2.gz LBSBSAICWQENFN-JUFWSGDYSA-N 1 0 288.347 2.312 20 5 CEBDRO O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000787971348 648154901 /nfs/dbraw/zinc/15/49/01/648154901.db2.gz VCSYGACGXJJFDT-UHFFFAOYSA-N 1 0 284.337 2.299 20 5 CEBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788661594 648211988 /nfs/dbraw/zinc/21/19/88/648211988.db2.gz BGNHYZLMSWUEQG-PWSUYJOCSA-N 1 0 281.356 2.379 20 5 CEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)C(F)(F)F ZINC000788976191 648240095 /nfs/dbraw/zinc/24/00/95/648240095.db2.gz YFZUOFZQBLJDSD-TZNOJPMFSA-N 1 0 290.241 2.121 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+](C)C ZINC000791827586 648572488 /nfs/dbraw/zinc/57/24/88/648572488.db2.gz VLJZDALQZYRQJA-UHFFFAOYSA-N 1 0 266.297 2.012 20 5 CEBDRO C/C(=C/C(=O)OCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000792134631 648613744 /nfs/dbraw/zinc/61/37/44/648613744.db2.gz SBNNKCORUVZMDE-QXMHVHEDSA-N 1 0 292.335 2.493 20 5 CEBDRO C[C@@H](NC(=O)CC[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000870869571 648938355 /nfs/dbraw/zinc/93/83/55/648938355.db2.gz ZKHZPLLEZQJDFP-LLVKDONJSA-N 1 0 291.351 2.162 20 5 CEBDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872126172 649284978 /nfs/dbraw/zinc/28/49/78/649284978.db2.gz JCMYZFOEJAPLFB-GUBZILKMSA-N 1 0 268.288 2.155 20 5 CEBDRO C[C@@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129528 649286781 /nfs/dbraw/zinc/28/67/81/649286781.db2.gz JUGLYUPGAQABLU-NQBHXWOUSA-N 1 0 263.341 2.196 20 5 CEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781540 649488308 /nfs/dbraw/zinc/48/83/08/649488308.db2.gz VDQZGLOSDFGAGZ-NXEZZACHSA-N 1 0 267.354 2.329 20 5 CEBDRO Cc1c(C[NH2+]CCNc2ccccn2)cccc1[N+](=O)[O-] ZINC000873061462 649547050 /nfs/dbraw/zinc/54/70/50/649547050.db2.gz RDGNJFDGCJMKLP-UHFFFAOYSA-N 1 0 286.335 2.500 20 5 CEBDRO Cc1c(C[NH2+][C@@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074107 649551774 /nfs/dbraw/zinc/55/17/74/649551774.db2.gz IXLMOJSQKQIMRC-FZMZJTMJSA-N 1 0 294.351 2.187 20 5 CEBDRO C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000873297234 649632482 /nfs/dbraw/zinc/63/24/82/649632482.db2.gz UTCWBKZOZLFFBF-YNEHKIRRSA-N 1 0 293.367 2.012 20 5 CEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873297880 649632632 /nfs/dbraw/zinc/63/26/32/649632632.db2.gz FXEZBIXSOLKDCE-TZMCWYRMSA-N 1 0 290.323 2.001 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000873841360 649725634 /nfs/dbraw/zinc/72/56/34/649725634.db2.gz OFMJTVDSSKIPOP-UHFFFAOYSA-N 1 0 291.351 2.037 20 5 CEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000879229561 651265303 /nfs/dbraw/zinc/26/53/03/651265303.db2.gz YSZVPHHFZVUOQO-UHFFFAOYSA-N 1 0 292.339 2.119 20 5 CEBDRO CC1(C)C[C@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879619088 651330748 /nfs/dbraw/zinc/33/07/48/651330748.db2.gz MJWJYJBQBPQANR-ZDUSSCGKSA-N 1 0 294.351 2.066 20 5 CEBDRO COCC1([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000880186910 651397664 /nfs/dbraw/zinc/39/76/64/651397664.db2.gz VBOSBYAIUDBSER-UHFFFAOYSA-N 1 0 294.351 2.475 20 5 CEBDRO Cc1ccc(Cn2cc([C@@H]([NH3+])C(C)C)nn2)cc1[N+](=O)[O-] ZINC000881212405 651638224 /nfs/dbraw/zinc/63/82/24/651638224.db2.gz PWGDDXRZGSZENA-AWEZNQCLSA-N 1 0 289.339 2.199 20 5 CEBDRO O=[N+]([O-])c1c(F)nccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000881958137 651925717 /nfs/dbraw/zinc/92/57/17/651925717.db2.gz CGKCIXJJZLSBNI-NSHDSACASA-N 1 0 294.330 2.194 20 5 CEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882351503 652043257 /nfs/dbraw/zinc/04/32/57/652043257.db2.gz VNUURTUAMZIYPP-QWRGUYRKSA-N 1 0 294.330 2.192 20 5 CEBDRO CSCC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130236302 652231245 /nfs/dbraw/zinc/23/12/45/652231245.db2.gz ZLOVKKCILMPSOQ-MFKMUULPSA-N 1 0 284.381 2.359 20 5 CEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)C1CC1 ZINC000883002875 652318303 /nfs/dbraw/zinc/31/83/03/652318303.db2.gz QYKTVAOCTVHSGY-QARUFBMTSA-N 1 0 276.336 2.359 20 5 CEBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000883090149 652360845 /nfs/dbraw/zinc/36/08/45/652360845.db2.gz CYQFZCOKXDUUKE-DLGQBQFBSA-N 1 0 250.298 2.012 20 5 CEBDRO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131507024 652432177 /nfs/dbraw/zinc/43/21/77/652432177.db2.gz LZGLTKXTMXIMDH-NXEZZACHSA-N 1 0 283.759 2.417 20 5 CEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCC2)c1C ZINC000884403775 652836804 /nfs/dbraw/zinc/83/68/04/652836804.db2.gz QVOQTYIUKQZYKW-UHFFFAOYSA-N 1 0 291.351 2.213 20 5 CEBDRO